Starting phenix.real_space_refine on Fri Nov 17 05:12:09 2023 by dcliebschner =============================================================================== Processing files: ------------------------------------------------------------------------------- Found model, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/8pys_18031/11_2023/8pys_18031.pdb Found real_map, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/8pys_18031/11_2023/8pys_18031.map Processing PHIL parameters: ------------------------------------------------------------------------------- Adding command-line PHIL: ------------------------- refinement.macro_cycles=10 scattering_table=electron resolution=2.7 write_initial_geo_file=False Final processed PHIL parameters: ------------------------------------------------------------------------------- data_manager { real_map_files = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/8pys_18031/11_2023/8pys_18031.map" default_real_map = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/8pys_18031/11_2023/8pys_18031.map" model { file = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/8pys_18031/11_2023/8pys_18031.pdb" } default_model = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/8pys_18031/11_2023/8pys_18031.pdb" } resolution = 2.7 write_initial_geo_file = False refinement { macro_cycles = 10 } qi { qm_restraints { package { program = *test } } } Starting job =============================================================================== ------------------------------------------------------------------------------- Citation: ********* Afonine PV, Poon BK, Read RJ, Sobolev OV, Terwilliger TC, Urzhumtsev A, Adams PD. (2018) Real-space refinement in PHENIX for cryo-EM and crystallography. Acta Cryst. D74:531-544. Validating inputs Origin is already at (0, 0, 0), no shifts will be applied ------------------------------------------------------------------------------- Processing inputs ***************** Set random seed Set to: 0 Set model cs if undefined Decide on map wrapping Map wrapping is set to: False Normalize map: mean=0, sd=1 Input map: mean= 0.000 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 Set scattering table Set to: electron Number of scattering types: 4 Type Number sf(0) Gaussians S 120 5.16 5 C 76680 2.51 5 N 21240 2.21 5 O 24000 1.98 5 sf(0) = scattering factor at diffraction angle 0. Process input model Symmetric amino acids flipped None Time to flip residues: 0.29s Monomer Library directory: "/net/cci-filer2/raid1/xp/phenix/phenix-1.21rc1-5144/modules/chem_data/mon_lib" Total number of atoms: 122040 Number of models: 1 Model: "" Number of chains: 60 Chain: "A" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 14, 'TRANS': 250} Chain: "B" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 14, 'TRANS': 250} Chain: "C" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 14, 'TRANS': 250} Chain: "D" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 14, 'TRANS': 250} Chain: "E" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 14, 'TRANS': 250} Chain: "F" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 14, 'TRANS': 250} Chain: "G" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 14, 'TRANS': 250} Chain: "H" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 14, 'TRANS': 250} Chain: "I" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 14, 'TRANS': 250} Chain: "J" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 14, 'TRANS': 250} Chain: "K" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 14, 'TRANS': 250} Chain: "L" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 14, 'TRANS': 250} Chain: "M" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 14, 'TRANS': 250} Chain: "N" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 14, 'TRANS': 250} Chain: "O" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 14, 'TRANS': 250} Chain: "P" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 14, 'TRANS': 250} Chain: "Q" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 14, 'TRANS': 250} Chain: "R" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 14, 'TRANS': 250} Chain: "S" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 14, 'TRANS': 250} Chain: "T" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 14, 'TRANS': 250} Chain: "U" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 14, 'TRANS': 250} Chain: "V" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 14, 'TRANS': 250} Chain: "W" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 14, 'TRANS': 250} Chain: "X" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 14, 'TRANS': 250} Chain: "Y" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 14, 'TRANS': 250} Chain: "Z" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 14, 'TRANS': 250} Chain: "a" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 14, 'TRANS': 250} Chain: "b" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 14, 'TRANS': 250} Chain: "c" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 14, 'TRANS': 250} Chain: "d" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 14, 'TRANS': 250} Chain: "e" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 14, 'TRANS': 250} Chain: "f" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 14, 'TRANS': 250} Chain: "g" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 14, 'TRANS': 250} Chain: "h" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 14, 'TRANS': 250} Chain: "i" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 14, 'TRANS': 250} Chain: "j" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 14, 'TRANS': 250} Chain: "k" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 14, 'TRANS': 250} Chain: "l" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 14, 'TRANS': 250} Chain: "m" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 14, 'TRANS': 250} Chain: "n" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 14, 'TRANS': 250} Chain: "o" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 14, 'TRANS': 250} Chain: "p" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 14, 'TRANS': 250} Chain: "q" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 14, 'TRANS': 250} Chain: "r" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 14, 'TRANS': 250} Chain: "s" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 14, 'TRANS': 250} Chain: "t" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 14, 'TRANS': 250} Chain: "u" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 14, 'TRANS': 250} Chain: "v" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 14, 'TRANS': 250} Chain: "w" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 14, 'TRANS': 250} Chain: "x" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 14, 'TRANS': 250} Chain: "y" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 14, 'TRANS': 250} Chain: "z" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 14, 'TRANS': 250} Chain: "0" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 14, 'TRANS': 250} Chain: "1" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 14, 'TRANS': 250} Chain: "2" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 14, 'TRANS': 250} Chain: "3" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 14, 'TRANS': 250} Chain: "4" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 14, 'TRANS': 250} Chain: "5" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 14, 'TRANS': 250} Chain: "6" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 14, 'TRANS': 250} Chain: "7" Number of atoms: 2034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2034 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 14, 'TRANS': 250} Time building chain proxies: 46.22, per 1000 atoms: 0.38 Number of scatterers: 122040 At special positions: 0 Unit cell: (244.86, 244.86, 244.86, 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 120 16.00 O 24000 8.00 N 21240 7.00 C 76680 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: 36.36 Conformation dependent library (CDL) restraints added in 16.6 seconds 31560 Ramachandran restraints generated. 15780 Oldfield, 0 Emsley, 15780 emsley8k and 0 Phi/Psi/2. Adding C-beta torsion restraints... Number of C-beta restraints generated: 29760 Finding SS restraints... Secondary structure from input PDB file: 660 helices and 120 sheets defined 41.9% alpha, 26.0% beta 0 base pairs and 0 stacking pairs defined. Time for finding SS restraints: 9.93 Creating SS restraints... Processing helix chain 'A' and resid 5 through 9 Processing helix chain 'A' and resid 12 through 31 Processing helix chain 'A' and resid 32 through 36 Processing helix chain 'A' and resid 86 through 94 removed outlier: 4.060A pdb=" N GLU A 93 " --> pdb=" O ILE A 89 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N ARG A 94 " --> pdb=" O ASP A 90 " (cutoff:3.500A) Processing helix chain 'A' and resid 101 through 121 Processing helix chain 'A' and resid 123 through 127 Processing helix chain 'A' and resid 130 through 135 Processing helix chain 'A' and resid 145 through 147 No H-bonds generated for 'chain 'A' and resid 145 through 147' Processing helix chain 'A' and resid 148 through 163 removed outlier: 3.503A pdb=" N VAL A 152 " --> pdb=" O GLU A 148 " (cutoff:3.500A) Processing helix chain 'A' and resid 174 through 184 Processing helix chain 'A' and resid 190 through 199 Processing helix chain 'B' and resid 5 through 9 Processing helix chain 'B' and resid 12 through 31 Processing helix chain 'B' and resid 32 through 36 Processing helix chain 'B' and resid 86 through 94 removed outlier: 4.059A pdb=" N GLU B 93 " --> pdb=" O ILE B 89 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N ARG B 94 " --> pdb=" O ASP B 90 " (cutoff:3.500A) Processing helix chain 'B' and resid 101 through 121 Processing helix chain 'B' and resid 123 through 127 Processing helix chain 'B' and resid 130 through 135 Processing helix chain 'B' and resid 145 through 147 No H-bonds generated for 'chain 'B' and resid 145 through 147' Processing helix chain 'B' and resid 148 through 163 removed outlier: 3.504A pdb=" N VAL B 152 " --> pdb=" O GLU B 148 " (cutoff:3.500A) Processing helix chain 'B' and resid 174 through 184 Processing helix chain 'B' and resid 190 through 199 Processing helix chain 'C' and resid 5 through 9 Processing helix chain 'C' and resid 12 through 31 Processing helix chain 'C' and resid 32 through 36 Processing helix chain 'C' and resid 86 through 94 removed outlier: 4.059A pdb=" N GLU C 93 " --> pdb=" O ILE C 89 " (cutoff:3.500A) removed outlier: 3.628A pdb=" N ARG C 94 " --> pdb=" O ASP C 90 " (cutoff:3.500A) Processing helix chain 'C' and resid 101 through 121 Processing helix chain 'C' and resid 123 through 127 Processing helix chain 'C' and resid 130 through 135 Processing helix chain 'C' and resid 145 through 147 No H-bonds generated for 'chain 'C' and resid 145 through 147' Processing helix chain 'C' and resid 148 through 163 removed outlier: 3.504A pdb=" N VAL C 152 " --> pdb=" O GLU C 148 " (cutoff:3.500A) Processing helix chain 'C' and resid 174 through 184 Processing helix chain 'C' and resid 190 through 199 Processing helix chain 'D' and resid 5 through 9 Processing helix chain 'D' and resid 12 through 31 Processing helix chain 'D' and resid 32 through 36 Processing helix chain 'D' and resid 86 through 94 removed outlier: 4.059A pdb=" N GLU D 93 " --> pdb=" O ILE D 89 " (cutoff:3.500A) removed outlier: 3.628A pdb=" N ARG D 94 " --> pdb=" O ASP D 90 " (cutoff:3.500A) Processing helix chain 'D' and resid 101 through 121 Processing helix chain 'D' and resid 123 through 127 Processing helix chain 'D' and resid 130 through 135 Processing helix chain 'D' and resid 145 through 147 No H-bonds generated for 'chain 'D' and resid 145 through 147' Processing helix chain 'D' and resid 148 through 163 removed outlier: 3.503A pdb=" N VAL D 152 " --> pdb=" O GLU D 148 " (cutoff:3.500A) Processing helix chain 'D' and resid 174 through 184 Processing helix chain 'D' and resid 190 through 199 Processing helix chain 'E' and resid 5 through 9 Processing helix chain 'E' and resid 12 through 31 Processing helix chain 'E' and resid 32 through 36 Processing helix chain 'E' and resid 86 through 94 removed outlier: 4.058A pdb=" N GLU E 93 " --> pdb=" O ILE E 89 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N ARG E 94 " --> pdb=" O ASP E 90 " (cutoff:3.500A) Processing helix chain 'E' and resid 101 through 121 Processing helix chain 'E' and resid 123 through 127 Processing helix chain 'E' and resid 130 through 135 Processing helix chain 'E' and resid 145 through 147 No H-bonds generated for 'chain 'E' and resid 145 through 147' Processing helix chain 'E' and resid 148 through 163 removed outlier: 3.504A pdb=" N VAL E 152 " --> pdb=" O GLU E 148 " (cutoff:3.500A) Processing helix chain 'E' and resid 174 through 184 Processing helix chain 'E' and resid 190 through 199 Processing helix chain 'F' and resid 5 through 9 Processing helix chain 'F' and resid 12 through 31 Processing helix chain 'F' and resid 32 through 36 Processing helix chain 'F' and resid 86 through 94 removed outlier: 4.058A pdb=" N GLU F 93 " --> pdb=" O ILE F 89 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N ARG F 94 " --> pdb=" O ASP F 90 " (cutoff:3.500A) Processing helix chain 'F' and resid 101 through 121 Processing helix chain 'F' and resid 123 through 127 Processing helix chain 'F' and resid 130 through 135 Processing helix chain 'F' and resid 145 through 147 No H-bonds generated for 'chain 'F' and resid 145 through 147' Processing helix chain 'F' and resid 148 through 163 removed outlier: 3.503A pdb=" N VAL F 152 " --> pdb=" O GLU F 148 " (cutoff:3.500A) Processing helix chain 'F' and resid 174 through 184 Processing helix chain 'F' and resid 190 through 199 Processing helix chain 'G' and resid 5 through 9 Processing helix chain 'G' and resid 12 through 31 Processing helix chain 'G' and resid 32 through 36 Processing helix chain 'G' and resid 86 through 94 removed outlier: 4.059A pdb=" N GLU G 93 " --> pdb=" O ILE G 89 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N ARG G 94 " --> pdb=" O ASP G 90 " (cutoff:3.500A) Processing helix chain 'G' and resid 101 through 121 Processing helix chain 'G' and resid 123 through 127 Processing helix chain 'G' and resid 130 through 135 Processing helix chain 'G' and resid 145 through 147 No H-bonds generated for 'chain 'G' and resid 145 through 147' Processing helix chain 'G' and resid 148 through 163 removed outlier: 3.503A pdb=" N VAL G 152 " --> pdb=" O GLU G 148 " (cutoff:3.500A) Processing helix chain 'G' and resid 174 through 184 Processing helix chain 'G' and resid 190 through 199 Processing helix chain 'H' and resid 5 through 9 Processing helix chain 'H' and resid 12 through 31 Processing helix chain 'H' and resid 32 through 36 Processing helix chain 'H' and resid 86 through 94 removed outlier: 4.058A pdb=" N GLU H 93 " --> pdb=" O ILE H 89 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N ARG H 94 " --> pdb=" O ASP H 90 " (cutoff:3.500A) Processing helix chain 'H' and resid 101 through 121 Processing helix chain 'H' and resid 123 through 127 Processing helix chain 'H' and resid 130 through 135 Processing helix chain 'H' and resid 145 through 147 No H-bonds generated for 'chain 'H' and resid 145 through 147' Processing helix chain 'H' and resid 148 through 163 removed outlier: 3.503A pdb=" N VAL H 152 " --> pdb=" O GLU H 148 " (cutoff:3.500A) Processing helix chain 'H' and resid 174 through 184 Processing helix chain 'H' and resid 190 through 199 Processing helix chain 'I' and resid 5 through 9 Processing helix chain 'I' and resid 12 through 31 Processing helix chain 'I' and resid 32 through 36 Processing helix chain 'I' and resid 86 through 94 removed outlier: 4.059A pdb=" N GLU I 93 " --> pdb=" O ILE I 89 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N ARG I 94 " --> pdb=" O ASP I 90 " (cutoff:3.500A) Processing helix chain 'I' and resid 101 through 121 Processing helix chain 'I' and resid 123 through 127 Processing helix chain 'I' and resid 130 through 135 Processing helix chain 'I' and resid 145 through 147 No H-bonds generated for 'chain 'I' and resid 145 through 147' Processing helix chain 'I' and resid 148 through 163 removed outlier: 3.503A pdb=" N VAL I 152 " --> pdb=" O GLU I 148 " (cutoff:3.500A) Processing helix chain 'I' and resid 174 through 184 Processing helix chain 'I' and resid 190 through 199 Processing helix chain 'J' and resid 5 through 9 Processing helix chain 'J' and resid 12 through 31 Processing helix chain 'J' and resid 32 through 36 Processing helix chain 'J' and resid 86 through 94 removed outlier: 4.060A pdb=" N GLU J 93 " --> pdb=" O ILE J 89 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N ARG J 94 " --> pdb=" O ASP J 90 " (cutoff:3.500A) Processing helix chain 'J' and resid 101 through 121 Processing helix chain 'J' and resid 123 through 127 Processing helix chain 'J' and resid 130 through 135 Processing helix chain 'J' and resid 145 through 147 No H-bonds generated for 'chain 'J' and resid 145 through 147' Processing helix chain 'J' and resid 148 through 163 removed outlier: 3.503A pdb=" N VAL J 152 " --> pdb=" O GLU J 148 " (cutoff:3.500A) Processing helix chain 'J' and resid 174 through 184 Processing helix chain 'J' and resid 190 through 199 Processing helix chain 'K' and resid 5 through 9 Processing helix chain 'K' and resid 12 through 31 Processing helix chain 'K' and resid 32 through 36 Processing helix chain 'K' and resid 86 through 94 removed outlier: 4.059A pdb=" N GLU K 93 " --> pdb=" O ILE K 89 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N ARG K 94 " --> pdb=" O ASP K 90 " (cutoff:3.500A) Processing helix chain 'K' and resid 101 through 121 Processing helix chain 'K' and resid 123 through 127 Processing helix chain 'K' and resid 130 through 135 Processing helix chain 'K' and resid 145 through 147 No H-bonds generated for 'chain 'K' and resid 145 through 147' Processing helix chain 'K' and resid 148 through 163 removed outlier: 3.503A pdb=" N VAL K 152 " --> pdb=" O GLU K 148 " (cutoff:3.500A) Processing helix chain 'K' and resid 174 through 184 Processing helix chain 'K' and resid 190 through 199 Processing helix chain 'L' and resid 5 through 9 Processing helix chain 'L' and resid 12 through 31 Processing helix chain 'L' and resid 32 through 36 Processing helix chain 'L' and resid 86 through 94 removed outlier: 4.059A pdb=" N GLU L 93 " --> pdb=" O ILE L 89 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N ARG L 94 " --> pdb=" O ASP L 90 " (cutoff:3.500A) Processing helix chain 'L' and resid 101 through 121 Processing helix chain 'L' and resid 123 through 127 Processing helix chain 'L' and resid 130 through 135 Processing helix chain 'L' and resid 145 through 147 No H-bonds generated for 'chain 'L' and resid 145 through 147' Processing helix chain 'L' and resid 148 through 163 removed outlier: 3.503A pdb=" N VAL L 152 " --> pdb=" O GLU L 148 " (cutoff:3.500A) Processing helix chain 'L' and resid 174 through 184 Processing helix chain 'L' and resid 190 through 199 Processing helix chain 'M' and resid 5 through 9 Processing helix chain 'M' and resid 12 through 31 Processing helix chain 'M' and resid 32 through 36 Processing helix chain 'M' and resid 86 through 94 removed outlier: 4.059A pdb=" N GLU M 93 " --> pdb=" O ILE M 89 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N ARG M 94 " --> pdb=" O ASP M 90 " (cutoff:3.500A) Processing helix chain 'M' and resid 101 through 121 Processing helix chain 'M' and resid 123 through 127 Processing helix chain 'M' and resid 130 through 135 Processing helix chain 'M' and resid 145 through 147 No H-bonds generated for 'chain 'M' and resid 145 through 147' Processing helix chain 'M' and resid 148 through 163 removed outlier: 3.503A pdb=" N VAL M 152 " --> pdb=" O GLU M 148 " (cutoff:3.500A) Processing helix chain 'M' and resid 174 through 184 Processing helix chain 'M' and resid 190 through 199 Processing helix chain 'N' and resid 5 through 9 Processing helix chain 'N' and resid 12 through 31 Processing helix chain 'N' and resid 32 through 36 Processing helix chain 'N' and resid 86 through 94 removed outlier: 4.059A pdb=" N GLU N 93 " --> pdb=" O ILE N 89 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N ARG N 94 " --> pdb=" O ASP N 90 " (cutoff:3.500A) Processing helix chain 'N' and resid 101 through 121 Processing helix chain 'N' and resid 123 through 127 Processing helix chain 'N' and resid 130 through 135 Processing helix chain 'N' and resid 145 through 147 No H-bonds generated for 'chain 'N' and resid 145 through 147' Processing helix chain 'N' and resid 148 through 163 removed outlier: 3.503A pdb=" N VAL N 152 " --> pdb=" O GLU N 148 " (cutoff:3.500A) Processing helix chain 'N' and resid 174 through 184 Processing helix chain 'N' and resid 190 through 199 Processing helix chain 'O' and resid 5 through 9 Processing helix chain 'O' and resid 12 through 31 Processing helix chain 'O' and resid 32 through 36 Processing helix chain 'O' and resid 86 through 94 removed outlier: 4.059A pdb=" N GLU O 93 " --> pdb=" O ILE O 89 " (cutoff:3.500A) removed outlier: 3.628A pdb=" N ARG O 94 " --> pdb=" O ASP O 90 " (cutoff:3.500A) Processing helix chain 'O' and resid 101 through 121 Processing helix chain 'O' and resid 123 through 127 Processing helix chain 'O' and resid 130 through 135 Processing helix chain 'O' and resid 145 through 147 No H-bonds generated for 'chain 'O' and resid 145 through 147' Processing helix chain 'O' and resid 148 through 163 removed outlier: 3.504A pdb=" N VAL O 152 " --> pdb=" O GLU O 148 " (cutoff:3.500A) Processing helix chain 'O' and resid 174 through 184 Processing helix chain 'O' and resid 190 through 199 Processing helix chain 'P' and resid 5 through 9 Processing helix chain 'P' and resid 12 through 31 Processing helix chain 'P' and resid 32 through 36 Processing helix chain 'P' and resid 86 through 94 removed outlier: 4.059A pdb=" N GLU P 93 " --> pdb=" O ILE P 89 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N ARG P 94 " --> pdb=" O ASP P 90 " (cutoff:3.500A) Processing helix chain 'P' and resid 101 through 121 Processing helix chain 'P' and resid 123 through 127 Processing helix chain 'P' and resid 130 through 135 Processing helix chain 'P' and resid 145 through 147 No H-bonds generated for 'chain 'P' and resid 145 through 147' Processing helix chain 'P' and resid 148 through 163 removed outlier: 3.504A pdb=" N VAL P 152 " --> pdb=" O GLU P 148 " (cutoff:3.500A) Processing helix chain 'P' and resid 174 through 184 Processing helix chain 'P' and resid 190 through 199 Processing helix chain 'Q' and resid 5 through 9 Processing helix chain 'Q' and resid 12 through 31 Processing helix chain 'Q' and resid 32 through 36 Processing helix chain 'Q' and resid 86 through 94 removed outlier: 4.059A pdb=" N GLU Q 93 " --> pdb=" O ILE Q 89 " (cutoff:3.500A) removed outlier: 3.628A pdb=" N ARG Q 94 " --> pdb=" O ASP Q 90 " (cutoff:3.500A) Processing helix chain 'Q' and resid 101 through 121 Processing helix chain 'Q' and resid 123 through 127 Processing helix chain 'Q' and resid 130 through 135 Processing helix chain 'Q' and resid 145 through 147 No H-bonds generated for 'chain 'Q' and resid 145 through 147' Processing helix chain 'Q' and resid 148 through 163 removed outlier: 3.503A pdb=" N VAL Q 152 " --> pdb=" O GLU Q 148 " (cutoff:3.500A) Processing helix chain 'Q' and resid 174 through 184 Processing helix chain 'Q' and resid 190 through 199 Processing helix chain 'R' and resid 5 through 9 Processing helix chain 'R' and resid 12 through 31 Processing helix chain 'R' and resid 32 through 36 Processing helix chain 'R' and resid 86 through 94 removed outlier: 4.059A pdb=" N GLU R 93 " --> pdb=" O ILE R 89 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N ARG R 94 " --> pdb=" O ASP R 90 " (cutoff:3.500A) Processing helix chain 'R' and resid 101 through 121 Processing helix chain 'R' and resid 123 through 127 Processing helix chain 'R' and resid 130 through 135 Processing helix chain 'R' and resid 145 through 147 No H-bonds generated for 'chain 'R' and resid 145 through 147' Processing helix chain 'R' and resid 148 through 163 removed outlier: 3.503A pdb=" N VAL R 152 " --> pdb=" O GLU R 148 " (cutoff:3.500A) Processing helix chain 'R' and resid 174 through 184 Processing helix chain 'R' and resid 190 through 199 Processing helix chain 'S' and resid 5 through 9 Processing helix chain 'S' and resid 12 through 31 Processing helix chain 'S' and resid 32 through 36 Processing helix chain 'S' and resid 86 through 94 removed outlier: 4.059A pdb=" N GLU S 93 " --> pdb=" O ILE S 89 " (cutoff:3.500A) removed outlier: 3.628A pdb=" N ARG S 94 " --> pdb=" O ASP S 90 " (cutoff:3.500A) Processing helix chain 'S' and resid 101 through 121 Processing helix chain 'S' and resid 123 through 127 Processing helix chain 'S' and resid 130 through 135 Processing helix chain 'S' and resid 145 through 147 No H-bonds generated for 'chain 'S' and resid 145 through 147' Processing helix chain 'S' and resid 148 through 163 removed outlier: 3.503A pdb=" N VAL S 152 " --> pdb=" O GLU S 148 " (cutoff:3.500A) Processing helix chain 'S' and resid 174 through 184 Processing helix chain 'S' and resid 190 through 199 Processing helix chain 'T' and resid 5 through 9 Processing helix chain 'T' and resid 12 through 31 Processing helix chain 'T' and resid 32 through 36 Processing helix chain 'T' and resid 86 through 94 removed outlier: 4.059A pdb=" N GLU T 93 " --> pdb=" O ILE T 89 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N ARG T 94 " --> pdb=" O ASP T 90 " (cutoff:3.500A) Processing helix chain 'T' and resid 101 through 121 Processing helix chain 'T' and resid 123 through 127 Processing helix chain 'T' and resid 130 through 135 Processing helix chain 'T' and resid 145 through 147 No H-bonds generated for 'chain 'T' and resid 145 through 147' Processing helix chain 'T' and resid 148 through 163 removed outlier: 3.503A pdb=" N VAL T 152 " --> pdb=" O GLU T 148 " (cutoff:3.500A) Processing helix chain 'T' and resid 174 through 184 Processing helix chain 'T' and resid 190 through 199 Processing helix chain 'U' and resid 5 through 9 Processing helix chain 'U' and resid 12 through 31 Processing helix chain 'U' and resid 32 through 36 Processing helix chain 'U' and resid 86 through 94 removed outlier: 4.059A pdb=" N GLU U 93 " --> pdb=" O ILE U 89 " (cutoff:3.500A) removed outlier: 3.628A pdb=" N ARG U 94 " --> pdb=" O ASP U 90 " (cutoff:3.500A) Processing helix chain 'U' and resid 101 through 121 Processing helix chain 'U' and resid 123 through 127 Processing helix chain 'U' and resid 130 through 135 Processing helix chain 'U' and resid 145 through 147 No H-bonds generated for 'chain 'U' and resid 145 through 147' Processing helix chain 'U' and resid 148 through 163 removed outlier: 3.504A pdb=" N VAL U 152 " --> pdb=" O GLU U 148 " (cutoff:3.500A) Processing helix chain 'U' and resid 174 through 184 Processing helix chain 'U' and resid 190 through 199 Processing helix chain 'V' and resid 5 through 9 Processing helix chain 'V' and resid 12 through 31 Processing helix chain 'V' and resid 32 through 36 Processing helix chain 'V' and resid 86 through 94 removed outlier: 4.059A pdb=" N GLU V 93 " --> pdb=" O ILE V 89 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N ARG V 94 " --> pdb=" O ASP V 90 " (cutoff:3.500A) Processing helix chain 'V' and resid 101 through 121 Processing helix chain 'V' and resid 123 through 127 Processing helix chain 'V' and resid 130 through 135 Processing helix chain 'V' and resid 145 through 147 No H-bonds generated for 'chain 'V' and resid 145 through 147' Processing helix chain 'V' and resid 148 through 163 removed outlier: 3.503A pdb=" N VAL V 152 " --> pdb=" O GLU V 148 " (cutoff:3.500A) Processing helix chain 'V' and resid 174 through 184 Processing helix chain 'V' and resid 190 through 199 Processing helix chain 'W' and resid 5 through 9 Processing helix chain 'W' and resid 12 through 31 Processing helix chain 'W' and resid 32 through 36 Processing helix chain 'W' and resid 86 through 94 removed outlier: 4.059A pdb=" N GLU W 93 " --> pdb=" O ILE W 89 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N ARG W 94 " --> pdb=" O ASP W 90 " (cutoff:3.500A) Processing helix chain 'W' and resid 101 through 121 Processing helix chain 'W' and resid 123 through 127 Processing helix chain 'W' and resid 130 through 135 Processing helix chain 'W' and resid 145 through 147 No H-bonds generated for 'chain 'W' and resid 145 through 147' Processing helix chain 'W' and resid 148 through 163 removed outlier: 3.503A pdb=" N VAL W 152 " --> pdb=" O GLU W 148 " (cutoff:3.500A) Processing helix chain 'W' and resid 174 through 184 Processing helix chain 'W' and resid 190 through 199 Processing helix chain 'X' and resid 5 through 9 Processing helix chain 'X' and resid 12 through 31 Processing helix chain 'X' and resid 32 through 36 Processing helix chain 'X' and resid 86 through 94 removed outlier: 4.059A pdb=" N GLU X 93 " --> pdb=" O ILE X 89 " (cutoff:3.500A) removed outlier: 3.628A pdb=" N ARG X 94 " --> pdb=" O ASP X 90 " (cutoff:3.500A) Processing helix chain 'X' and resid 101 through 121 Processing helix chain 'X' and resid 123 through 127 Processing helix chain 'X' and resid 130 through 135 Processing helix chain 'X' and resid 145 through 147 No H-bonds generated for 'chain 'X' and resid 145 through 147' Processing helix chain 'X' and resid 148 through 163 removed outlier: 3.503A pdb=" N VAL X 152 " --> pdb=" O GLU X 148 " (cutoff:3.500A) Processing helix chain 'X' and resid 174 through 184 Processing helix chain 'X' and resid 190 through 199 Processing helix chain 'Y' and resid 5 through 9 Processing helix chain 'Y' and resid 12 through 31 Processing helix chain 'Y' and resid 32 through 36 Processing helix chain 'Y' and resid 86 through 94 removed outlier: 4.058A pdb=" N GLU Y 93 " --> pdb=" O ILE Y 89 " (cutoff:3.500A) removed outlier: 3.628A pdb=" N ARG Y 94 " --> pdb=" O ASP Y 90 " (cutoff:3.500A) Processing helix chain 'Y' and resid 101 through 121 Processing helix chain 'Y' and resid 123 through 127 Processing helix chain 'Y' and resid 130 through 135 Processing helix chain 'Y' and resid 145 through 147 No H-bonds generated for 'chain 'Y' and resid 145 through 147' Processing helix chain 'Y' and resid 148 through 163 removed outlier: 3.503A pdb=" N VAL Y 152 " --> pdb=" O GLU Y 148 " (cutoff:3.500A) Processing helix chain 'Y' and resid 174 through 184 Processing helix chain 'Y' and resid 190 through 199 Processing helix chain 'Z' and resid 5 through 9 Processing helix chain 'Z' and resid 12 through 31 Processing helix chain 'Z' and resid 32 through 36 Processing helix chain 'Z' and resid 86 through 94 removed outlier: 4.059A pdb=" N GLU Z 93 " --> pdb=" O ILE Z 89 " (cutoff:3.500A) removed outlier: 3.628A pdb=" N ARG Z 94 " --> pdb=" O ASP Z 90 " (cutoff:3.500A) Processing helix chain 'Z' and resid 101 through 121 Processing helix chain 'Z' and resid 123 through 127 Processing helix chain 'Z' and resid 130 through 135 Processing helix chain 'Z' and resid 145 through 147 No H-bonds generated for 'chain 'Z' and resid 145 through 147' Processing helix chain 'Z' and resid 148 through 163 removed outlier: 3.503A pdb=" N VAL Z 152 " --> pdb=" O GLU Z 148 " (cutoff:3.500A) Processing helix chain 'Z' and resid 174 through 184 Processing helix chain 'Z' and resid 190 through 199 Processing helix chain 'a' and resid 5 through 9 Processing helix chain 'a' and resid 12 through 31 Processing helix chain 'a' and resid 32 through 36 Processing helix chain 'a' and resid 86 through 94 removed outlier: 4.059A pdb=" N GLU a 93 " --> pdb=" O ILE a 89 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N ARG a 94 " --> pdb=" O ASP a 90 " (cutoff:3.500A) Processing helix chain 'a' and resid 101 through 121 Processing helix chain 'a' and resid 123 through 127 Processing helix chain 'a' and resid 130 through 135 Processing helix chain 'a' and resid 145 through 147 No H-bonds generated for 'chain 'a' and resid 145 through 147' Processing helix chain 'a' and resid 148 through 163 removed outlier: 3.504A pdb=" N VAL a 152 " --> pdb=" O GLU a 148 " (cutoff:3.500A) Processing helix chain 'a' and resid 174 through 184 Processing helix chain 'a' and resid 190 through 199 Processing helix chain 'b' and resid 5 through 9 Processing helix chain 'b' and resid 12 through 31 Processing helix chain 'b' and resid 32 through 36 Processing helix chain 'b' and resid 86 through 94 removed outlier: 4.059A pdb=" N GLU b 93 " --> pdb=" O ILE b 89 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N ARG b 94 " --> pdb=" O ASP b 90 " (cutoff:3.500A) Processing helix chain 'b' and resid 101 through 121 Processing helix chain 'b' and resid 123 through 127 Processing helix chain 'b' and resid 130 through 135 Processing helix chain 'b' and resid 145 through 147 No H-bonds generated for 'chain 'b' and resid 145 through 147' Processing helix chain 'b' and resid 148 through 163 removed outlier: 3.503A pdb=" N VAL b 152 " --> pdb=" O GLU b 148 " (cutoff:3.500A) Processing helix chain 'b' and resid 174 through 184 Processing helix chain 'b' and resid 190 through 199 Processing helix chain 'c' and resid 5 through 9 Processing helix chain 'c' and resid 12 through 31 Processing helix chain 'c' and resid 32 through 36 Processing helix chain 'c' and resid 86 through 94 removed outlier: 4.059A pdb=" N GLU c 93 " --> pdb=" O ILE c 89 " (cutoff:3.500A) removed outlier: 3.628A pdb=" N ARG c 94 " --> pdb=" O ASP c 90 " (cutoff:3.500A) Processing helix chain 'c' and resid 101 through 121 Processing helix chain 'c' and resid 123 through 127 Processing helix chain 'c' and resid 130 through 135 Processing helix chain 'c' and resid 145 through 147 No H-bonds generated for 'chain 'c' and resid 145 through 147' Processing helix chain 'c' and resid 148 through 163 removed outlier: 3.503A pdb=" N VAL c 152 " --> pdb=" O GLU c 148 " (cutoff:3.500A) Processing helix chain 'c' and resid 174 through 184 Processing helix chain 'c' and resid 190 through 199 Processing helix chain 'd' and resid 5 through 9 Processing helix chain 'd' and resid 12 through 31 Processing helix chain 'd' and resid 32 through 36 Processing helix chain 'd' and resid 86 through 94 removed outlier: 4.059A pdb=" N GLU d 93 " --> pdb=" O ILE d 89 " (cutoff:3.500A) removed outlier: 3.628A pdb=" N ARG d 94 " --> pdb=" O ASP d 90 " (cutoff:3.500A) Processing helix chain 'd' and resid 101 through 121 Processing helix chain 'd' and resid 123 through 127 Processing helix chain 'd' and resid 130 through 135 Processing helix chain 'd' and resid 145 through 147 No H-bonds generated for 'chain 'd' and resid 145 through 147' Processing helix chain 'd' and resid 148 through 163 removed outlier: 3.504A pdb=" N VAL d 152 " --> pdb=" O GLU d 148 " (cutoff:3.500A) Processing helix chain 'd' and resid 174 through 184 Processing helix chain 'd' and resid 190 through 199 Processing helix chain 'e' and resid 5 through 9 Processing helix chain 'e' and resid 12 through 31 Processing helix chain 'e' and resid 32 through 36 Processing helix chain 'e' and resid 86 through 94 removed outlier: 4.059A pdb=" N GLU e 93 " --> pdb=" O ILE e 89 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N ARG e 94 " --> pdb=" O ASP e 90 " (cutoff:3.500A) Processing helix chain 'e' and resid 101 through 121 Processing helix chain 'e' and resid 123 through 127 Processing helix chain 'e' and resid 130 through 135 Processing helix chain 'e' and resid 145 through 147 No H-bonds generated for 'chain 'e' and resid 145 through 147' Processing helix chain 'e' and resid 148 through 163 removed outlier: 3.503A pdb=" N VAL e 152 " --> pdb=" O GLU e 148 " (cutoff:3.500A) Processing helix chain 'e' and resid 174 through 184 Processing helix chain 'e' and resid 190 through 199 Processing helix chain 'f' and resid 5 through 9 Processing helix chain 'f' and resid 12 through 31 Processing helix chain 'f' and resid 32 through 36 Processing helix chain 'f' and resid 86 through 94 removed outlier: 4.058A pdb=" N GLU f 93 " --> pdb=" O ILE f 89 " (cutoff:3.500A) removed outlier: 3.628A pdb=" N ARG f 94 " --> pdb=" O ASP f 90 " (cutoff:3.500A) Processing helix chain 'f' and resid 101 through 121 Processing helix chain 'f' and resid 123 through 127 Processing helix chain 'f' and resid 130 through 135 Processing helix chain 'f' and resid 145 through 147 No H-bonds generated for 'chain 'f' and resid 145 through 147' Processing helix chain 'f' and resid 148 through 163 removed outlier: 3.503A pdb=" N VAL f 152 " --> pdb=" O GLU f 148 " (cutoff:3.500A) Processing helix chain 'f' and resid 174 through 184 Processing helix chain 'f' and resid 190 through 199 Processing helix chain 'g' and resid 5 through 9 Processing helix chain 'g' and resid 12 through 31 Processing helix chain 'g' and resid 32 through 36 Processing helix chain 'g' and resid 86 through 94 removed outlier: 4.058A pdb=" N GLU g 93 " --> pdb=" O ILE g 89 " (cutoff:3.500A) removed outlier: 3.628A pdb=" N ARG g 94 " --> pdb=" O ASP g 90 " (cutoff:3.500A) Processing helix chain 'g' and resid 101 through 121 Processing helix chain 'g' and resid 123 through 127 Processing helix chain 'g' and resid 130 through 135 Processing helix chain 'g' and resid 145 through 147 No H-bonds generated for 'chain 'g' and resid 145 through 147' Processing helix chain 'g' and resid 148 through 163 removed outlier: 3.503A pdb=" N VAL g 152 " --> pdb=" O GLU g 148 " (cutoff:3.500A) Processing helix chain 'g' and resid 174 through 184 Processing helix chain 'g' and resid 190 through 199 Processing helix chain 'h' and resid 5 through 9 Processing helix chain 'h' and resid 12 through 31 Processing helix chain 'h' and resid 32 through 36 Processing helix chain 'h' and resid 86 through 94 removed outlier: 4.059A pdb=" N GLU h 93 " --> pdb=" O ILE h 89 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N ARG h 94 " --> pdb=" O ASP h 90 " (cutoff:3.500A) Processing helix chain 'h' and resid 101 through 121 Processing helix chain 'h' and resid 123 through 127 Processing helix chain 'h' and resid 130 through 135 Processing helix chain 'h' and resid 145 through 147 No H-bonds generated for 'chain 'h' and resid 145 through 147' Processing helix chain 'h' and resid 148 through 163 removed outlier: 3.504A pdb=" N VAL h 152 " --> pdb=" O GLU h 148 " (cutoff:3.500A) Processing helix chain 'h' and resid 174 through 184 Processing helix chain 'h' and resid 190 through 199 Processing helix chain 'i' and resid 5 through 9 Processing helix chain 'i' and resid 12 through 31 Processing helix chain 'i' and resid 32 through 36 Processing helix chain 'i' and resid 86 through 94 removed outlier: 4.059A pdb=" N GLU i 93 " --> pdb=" O ILE i 89 " (cutoff:3.500A) removed outlier: 3.628A pdb=" N ARG i 94 " --> pdb=" O ASP i 90 " (cutoff:3.500A) Processing helix chain 'i' and resid 101 through 121 Processing helix chain 'i' and resid 123 through 127 Processing helix chain 'i' and resid 130 through 135 Processing helix chain 'i' and resid 145 through 147 No H-bonds generated for 'chain 'i' and resid 145 through 147' Processing helix chain 'i' and resid 148 through 163 removed outlier: 3.503A pdb=" N VAL i 152 " --> pdb=" O GLU i 148 " (cutoff:3.500A) Processing helix chain 'i' and resid 174 through 184 Processing helix chain 'i' and resid 190 through 199 Processing helix chain 'j' and resid 5 through 9 Processing helix chain 'j' and resid 12 through 31 Processing helix chain 'j' and resid 32 through 36 Processing helix chain 'j' and resid 86 through 94 removed outlier: 4.059A pdb=" N GLU j 93 " --> pdb=" O ILE j 89 " (cutoff:3.500A) removed outlier: 3.628A pdb=" N ARG j 94 " --> pdb=" O ASP j 90 " (cutoff:3.500A) Processing helix chain 'j' and resid 101 through 121 Processing helix chain 'j' and resid 123 through 127 Processing helix chain 'j' and resid 130 through 135 Processing helix chain 'j' and resid 145 through 147 No H-bonds generated for 'chain 'j' and resid 145 through 147' Processing helix chain 'j' and resid 148 through 163 removed outlier: 3.504A pdb=" N VAL j 152 " --> pdb=" O GLU j 148 " (cutoff:3.500A) Processing helix chain 'j' and resid 174 through 184 Processing helix chain 'j' and resid 190 through 199 Processing helix chain 'k' and resid 5 through 9 Processing helix chain 'k' and resid 12 through 31 Processing helix chain 'k' and resid 32 through 36 Processing helix chain 'k' and resid 86 through 94 removed outlier: 4.059A pdb=" N GLU k 93 " --> pdb=" O ILE k 89 " (cutoff:3.500A) removed outlier: 3.628A pdb=" N ARG k 94 " --> pdb=" O ASP k 90 " (cutoff:3.500A) Processing helix chain 'k' and resid 101 through 121 Processing helix chain 'k' and resid 123 through 127 Processing helix chain 'k' and resid 130 through 135 Processing helix chain 'k' and resid 145 through 147 No H-bonds generated for 'chain 'k' and resid 145 through 147' Processing helix chain 'k' and resid 148 through 163 removed outlier: 3.503A pdb=" N VAL k 152 " --> pdb=" O GLU k 148 " (cutoff:3.500A) Processing helix chain 'k' and resid 174 through 184 Processing helix chain 'k' and resid 190 through 199 Processing helix chain 'l' and resid 5 through 9 Processing helix chain 'l' and resid 12 through 31 Processing helix chain 'l' and resid 32 through 36 Processing helix chain 'l' and resid 86 through 94 removed outlier: 4.059A pdb=" N GLU l 93 " --> pdb=" O ILE l 89 " (cutoff:3.500A) removed outlier: 3.628A pdb=" N ARG l 94 " --> pdb=" O ASP l 90 " (cutoff:3.500A) Processing helix chain 'l' and resid 101 through 121 Processing helix chain 'l' and resid 123 through 127 Processing helix chain 'l' and resid 130 through 135 Processing helix chain 'l' and resid 145 through 147 No H-bonds generated for 'chain 'l' and resid 145 through 147' Processing helix chain 'l' and resid 148 through 163 removed outlier: 3.503A pdb=" N VAL l 152 " --> pdb=" O GLU l 148 " (cutoff:3.500A) Processing helix chain 'l' and resid 174 through 184 Processing helix chain 'l' and resid 190 through 199 Processing helix chain 'm' and resid 5 through 9 Processing helix chain 'm' and resid 12 through 31 Processing helix chain 'm' and resid 32 through 36 Processing helix chain 'm' and resid 86 through 94 removed outlier: 4.059A pdb=" N GLU m 93 " --> pdb=" O ILE m 89 " (cutoff:3.500A) removed outlier: 3.628A pdb=" N ARG m 94 " --> pdb=" O ASP m 90 " (cutoff:3.500A) Processing helix chain 'm' and resid 101 through 121 Processing helix chain 'm' and resid 123 through 127 Processing helix chain 'm' and resid 130 through 135 Processing helix chain 'm' and resid 145 through 147 No H-bonds generated for 'chain 'm' and resid 145 through 147' Processing helix chain 'm' and resid 148 through 163 removed outlier: 3.504A pdb=" N VAL m 152 " --> pdb=" O GLU m 148 " (cutoff:3.500A) Processing helix chain 'm' and resid 174 through 184 Processing helix chain 'm' and resid 190 through 199 Processing helix chain 'n' and resid 5 through 9 Processing helix chain 'n' and resid 12 through 31 Processing helix chain 'n' and resid 32 through 36 Processing helix chain 'n' and resid 86 through 94 removed outlier: 4.059A pdb=" N GLU n 93 " --> pdb=" O ILE n 89 " (cutoff:3.500A) removed outlier: 3.628A pdb=" N ARG n 94 " --> pdb=" O ASP n 90 " (cutoff:3.500A) Processing helix chain 'n' and resid 101 through 121 Processing helix chain 'n' and resid 123 through 127 Processing helix chain 'n' and resid 130 through 135 Processing helix chain 'n' and resid 145 through 147 No H-bonds generated for 'chain 'n' and resid 145 through 147' Processing helix chain 'n' and resid 148 through 163 removed outlier: 3.503A pdb=" N VAL n 152 " --> pdb=" O GLU n 148 " (cutoff:3.500A) Processing helix chain 'n' and resid 174 through 184 Processing helix chain 'n' and resid 190 through 199 Processing helix chain 'o' and resid 5 through 9 Processing helix chain 'o' and resid 12 through 31 Processing helix chain 'o' and resid 32 through 36 Processing helix chain 'o' and resid 86 through 94 removed outlier: 4.059A pdb=" N GLU o 93 " --> pdb=" O ILE o 89 " (cutoff:3.500A) removed outlier: 3.628A pdb=" N ARG o 94 " --> pdb=" O ASP o 90 " (cutoff:3.500A) Processing helix chain 'o' and resid 101 through 121 Processing helix chain 'o' and resid 123 through 127 Processing helix chain 'o' and resid 130 through 135 Processing helix chain 'o' and resid 145 through 147 No H-bonds generated for 'chain 'o' and resid 145 through 147' Processing helix chain 'o' and resid 148 through 163 removed outlier: 3.503A pdb=" N VAL o 152 " --> pdb=" O GLU o 148 " (cutoff:3.500A) Processing helix chain 'o' and resid 174 through 184 Processing helix chain 'o' and resid 190 through 199 Processing helix chain 'p' and resid 5 through 9 Processing helix chain 'p' and resid 12 through 31 Processing helix chain 'p' and resid 32 through 36 Processing helix chain 'p' and resid 86 through 94 removed outlier: 4.058A pdb=" N GLU p 93 " --> pdb=" O ILE p 89 " (cutoff:3.500A) removed outlier: 3.628A pdb=" N ARG p 94 " --> pdb=" O ASP p 90 " (cutoff:3.500A) Processing helix chain 'p' and resid 101 through 121 Processing helix chain 'p' and resid 123 through 127 Processing helix chain 'p' and resid 130 through 135 Processing helix chain 'p' and resid 145 through 147 No H-bonds generated for 'chain 'p' and resid 145 through 147' Processing helix chain 'p' and resid 148 through 163 removed outlier: 3.503A pdb=" N VAL p 152 " --> pdb=" O GLU p 148 " (cutoff:3.500A) Processing helix chain 'p' and resid 174 through 184 Processing helix chain 'p' and resid 190 through 199 Processing helix chain 'q' and resid 5 through 9 Processing helix chain 'q' and resid 12 through 31 Processing helix chain 'q' and resid 32 through 36 Processing helix chain 'q' and resid 86 through 94 removed outlier: 4.059A pdb=" N GLU q 93 " --> pdb=" O ILE q 89 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N ARG q 94 " --> pdb=" O ASP q 90 " (cutoff:3.500A) Processing helix chain 'q' and resid 101 through 121 Processing helix chain 'q' and resid 123 through 127 Processing helix chain 'q' and resid 130 through 135 Processing helix chain 'q' and resid 145 through 147 No H-bonds generated for 'chain 'q' and resid 145 through 147' Processing helix chain 'q' and resid 148 through 163 removed outlier: 3.504A pdb=" N VAL q 152 " --> pdb=" O GLU q 148 " (cutoff:3.500A) Processing helix chain 'q' and resid 174 through 184 Processing helix chain 'q' and resid 190 through 199 Processing helix chain 'r' and resid 5 through 9 Processing helix chain 'r' and resid 12 through 31 Processing helix chain 'r' and resid 32 through 36 Processing helix chain 'r' and resid 86 through 94 removed outlier: 4.059A pdb=" N GLU r 93 " --> pdb=" O ILE r 89 " (cutoff:3.500A) removed outlier: 3.628A pdb=" N ARG r 94 " --> pdb=" O ASP r 90 " (cutoff:3.500A) Processing helix chain 'r' and resid 101 through 121 Processing helix chain 'r' and resid 123 through 127 Processing helix chain 'r' and resid 130 through 135 Processing helix chain 'r' and resid 145 through 147 No H-bonds generated for 'chain 'r' and resid 145 through 147' Processing helix chain 'r' and resid 148 through 163 removed outlier: 3.503A pdb=" N VAL r 152 " --> pdb=" O GLU r 148 " (cutoff:3.500A) Processing helix chain 'r' and resid 174 through 184 Processing helix chain 'r' and resid 190 through 199 Processing helix chain 's' and resid 5 through 9 Processing helix chain 's' and resid 12 through 31 Processing helix chain 's' and resid 32 through 36 Processing helix chain 's' and resid 86 through 94 removed outlier: 4.059A pdb=" N GLU s 93 " --> pdb=" O ILE s 89 " (cutoff:3.500A) removed outlier: 3.628A pdb=" N ARG s 94 " --> pdb=" O ASP s 90 " (cutoff:3.500A) Processing helix chain 's' and resid 101 through 121 Processing helix chain 's' and resid 123 through 127 Processing helix chain 's' and resid 130 through 135 Processing helix chain 's' and resid 145 through 147 No H-bonds generated for 'chain 's' and resid 145 through 147' Processing helix chain 's' and resid 148 through 163 removed outlier: 3.503A pdb=" N VAL s 152 " --> pdb=" O GLU s 148 " (cutoff:3.500A) Processing helix chain 's' and resid 174 through 184 Processing helix chain 's' and resid 190 through 199 Processing helix chain 't' and resid 5 through 9 Processing helix chain 't' and resid 12 through 31 Processing helix chain 't' and resid 32 through 36 Processing helix chain 't' and resid 86 through 94 removed outlier: 4.059A pdb=" N GLU t 93 " --> pdb=" O ILE t 89 " (cutoff:3.500A) removed outlier: 3.628A pdb=" N ARG t 94 " --> pdb=" O ASP t 90 " (cutoff:3.500A) Processing helix chain 't' and resid 101 through 121 Processing helix chain 't' and resid 123 through 127 Processing helix chain 't' and resid 130 through 135 Processing helix chain 't' and resid 145 through 147 No H-bonds generated for 'chain 't' and resid 145 through 147' Processing helix chain 't' and resid 148 through 163 removed outlier: 3.503A pdb=" N VAL t 152 " --> pdb=" O GLU t 148 " (cutoff:3.500A) Processing helix chain 't' and resid 174 through 184 Processing helix chain 't' and resid 190 through 199 Processing helix chain 'u' and resid 5 through 9 Processing helix chain 'u' and resid 12 through 31 Processing helix chain 'u' and resid 32 through 36 Processing helix chain 'u' and resid 86 through 94 removed outlier: 4.059A pdb=" N GLU u 93 " --> pdb=" O ILE u 89 " (cutoff:3.500A) removed outlier: 3.628A pdb=" N ARG u 94 " --> pdb=" O ASP u 90 " (cutoff:3.500A) Processing helix chain 'u' and resid 101 through 121 Processing helix chain 'u' and resid 123 through 127 Processing helix chain 'u' and resid 130 through 135 Processing helix chain 'u' and resid 145 through 147 No H-bonds generated for 'chain 'u' and resid 145 through 147' Processing helix chain 'u' and resid 148 through 163 removed outlier: 3.504A pdb=" N VAL u 152 " --> pdb=" O GLU u 148 " (cutoff:3.500A) Processing helix chain 'u' and resid 174 through 184 Processing helix chain 'u' and resid 190 through 199 Processing helix chain 'v' and resid 5 through 9 Processing helix chain 'v' and resid 12 through 31 Processing helix chain 'v' and resid 32 through 36 Processing helix chain 'v' and resid 86 through 94 removed outlier: 4.059A pdb=" N GLU v 93 " --> pdb=" O ILE v 89 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N ARG v 94 " --> pdb=" O ASP v 90 " (cutoff:3.500A) Processing helix chain 'v' and resid 101 through 121 Processing helix chain 'v' and resid 123 through 127 Processing helix chain 'v' and resid 130 through 135 Processing helix chain 'v' and resid 145 through 147 No H-bonds generated for 'chain 'v' and resid 145 through 147' Processing helix chain 'v' and resid 148 through 163 removed outlier: 3.503A pdb=" N VAL v 152 " --> pdb=" O GLU v 148 " (cutoff:3.500A) Processing helix chain 'v' and resid 174 through 184 Processing helix chain 'v' and resid 190 through 199 Processing helix chain 'w' and resid 5 through 9 Processing helix chain 'w' and resid 12 through 31 Processing helix chain 'w' and resid 32 through 36 Processing helix chain 'w' and resid 86 through 94 removed outlier: 4.059A pdb=" N GLU w 93 " --> pdb=" O ILE w 89 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N ARG w 94 " --> pdb=" O ASP w 90 " (cutoff:3.500A) Processing helix chain 'w' and resid 101 through 121 Processing helix chain 'w' and resid 123 through 127 Processing helix chain 'w' and resid 130 through 135 Processing helix chain 'w' and resid 145 through 147 No H-bonds generated for 'chain 'w' and resid 145 through 147' Processing helix chain 'w' and resid 148 through 163 removed outlier: 3.503A pdb=" N VAL w 152 " --> pdb=" O GLU w 148 " (cutoff:3.500A) Processing helix chain 'w' and resid 174 through 184 Processing helix chain 'w' and resid 190 through 199 Processing helix chain 'x' and resid 5 through 9 Processing helix chain 'x' and resid 12 through 31 Processing helix chain 'x' and resid 32 through 36 Processing helix chain 'x' and resid 86 through 94 removed outlier: 4.059A pdb=" N GLU x 93 " --> pdb=" O ILE x 89 " (cutoff:3.500A) removed outlier: 3.628A pdb=" N ARG x 94 " --> pdb=" O ASP x 90 " (cutoff:3.500A) Processing helix chain 'x' and resid 101 through 121 Processing helix chain 'x' and resid 123 through 127 Processing helix chain 'x' and resid 130 through 135 Processing helix chain 'x' and resid 145 through 147 No H-bonds generated for 'chain 'x' and resid 145 through 147' Processing helix chain 'x' and resid 148 through 163 removed outlier: 3.503A pdb=" N VAL x 152 " --> pdb=" O GLU x 148 " (cutoff:3.500A) Processing helix chain 'x' and resid 174 through 184 Processing helix chain 'x' and resid 190 through 199 Processing helix chain 'y' and resid 5 through 9 Processing helix chain 'y' and resid 12 through 31 Processing helix chain 'y' and resid 32 through 36 Processing helix chain 'y' and resid 86 through 94 removed outlier: 4.059A pdb=" N GLU y 93 " --> pdb=" O ILE y 89 " (cutoff:3.500A) removed outlier: 3.628A pdb=" N ARG y 94 " --> pdb=" O ASP y 90 " (cutoff:3.500A) Processing helix chain 'y' and resid 101 through 121 Processing helix chain 'y' and resid 123 through 127 Processing helix chain 'y' and resid 130 through 135 Processing helix chain 'y' and resid 145 through 147 No H-bonds generated for 'chain 'y' and resid 145 through 147' Processing helix chain 'y' and resid 148 through 163 removed outlier: 3.503A pdb=" N VAL y 152 " --> pdb=" O GLU y 148 " (cutoff:3.500A) Processing helix chain 'y' and resid 174 through 184 Processing helix chain 'y' and resid 190 through 199 Processing helix chain 'z' and resid 5 through 9 Processing helix chain 'z' and resid 12 through 31 Processing helix chain 'z' and resid 32 through 36 Processing helix chain 'z' and resid 86 through 94 removed outlier: 4.059A pdb=" N GLU z 93 " --> pdb=" O ILE z 89 " (cutoff:3.500A) removed outlier: 3.628A pdb=" N ARG z 94 " --> pdb=" O ASP z 90 " (cutoff:3.500A) Processing helix chain 'z' and resid 101 through 121 Processing helix chain 'z' and resid 123 through 127 Processing helix chain 'z' and resid 130 through 135 Processing helix chain 'z' and resid 145 through 147 No H-bonds generated for 'chain 'z' and resid 145 through 147' Processing helix chain 'z' and resid 148 through 163 removed outlier: 3.503A pdb=" N VAL z 152 " --> pdb=" O GLU z 148 " (cutoff:3.500A) Processing helix chain 'z' and resid 174 through 184 Processing helix chain 'z' and resid 190 through 199 Processing helix chain '0' and resid 5 through 9 Processing helix chain '0' and resid 12 through 31 Processing helix chain '0' and resid 32 through 36 Processing helix chain '0' and resid 86 through 94 removed outlier: 4.058A pdb=" N GLU 0 93 " --> pdb=" O ILE 0 89 " (cutoff:3.500A) removed outlier: 3.628A pdb=" N ARG 0 94 " --> pdb=" O ASP 0 90 " (cutoff:3.500A) Processing helix chain '0' and resid 101 through 121 Processing helix chain '0' and resid 123 through 127 Processing helix chain '0' and resid 130 through 135 Processing helix chain '0' and resid 145 through 147 No H-bonds generated for 'chain '0' and resid 145 through 147' Processing helix chain '0' and resid 148 through 163 removed outlier: 3.503A pdb=" N VAL 0 152 " --> pdb=" O GLU 0 148 " (cutoff:3.500A) Processing helix chain '0' and resid 174 through 184 Processing helix chain '0' and resid 190 through 199 Processing helix chain '1' and resid 5 through 9 Processing helix chain '1' and resid 12 through 31 Processing helix chain '1' and resid 32 through 36 Processing helix chain '1' and resid 86 through 94 removed outlier: 4.059A pdb=" N GLU 1 93 " --> pdb=" O ILE 1 89 " (cutoff:3.500A) removed outlier: 3.628A pdb=" N ARG 1 94 " --> pdb=" O ASP 1 90 " (cutoff:3.500A) Processing helix chain '1' and resid 101 through 121 Processing helix chain '1' and resid 123 through 127 Processing helix chain '1' and resid 130 through 135 Processing helix chain '1' and resid 145 through 147 No H-bonds generated for 'chain '1' and resid 145 through 147' Processing helix chain '1' and resid 148 through 163 removed outlier: 3.504A pdb=" N VAL 1 152 " --> pdb=" O GLU 1 148 " (cutoff:3.500A) Processing helix chain '1' and resid 174 through 184 Processing helix chain '1' and resid 190 through 199 Processing helix chain '2' and resid 5 through 9 Processing helix chain '2' and resid 12 through 31 Processing helix chain '2' and resid 32 through 36 Processing helix chain '2' and resid 86 through 94 removed outlier: 4.059A pdb=" N GLU 2 93 " --> pdb=" O ILE 2 89 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N ARG 2 94 " --> pdb=" O ASP 2 90 " (cutoff:3.500A) Processing helix chain '2' and resid 101 through 121 Processing helix chain '2' and resid 123 through 127 Processing helix chain '2' and resid 130 through 135 Processing helix chain '2' and resid 145 through 147 No H-bonds generated for 'chain '2' and resid 145 through 147' Processing helix chain '2' and resid 148 through 163 removed outlier: 3.503A pdb=" N VAL 2 152 " --> pdb=" O GLU 2 148 " (cutoff:3.500A) Processing helix chain '2' and resid 174 through 184 Processing helix chain '2' and resid 190 through 199 Processing helix chain '3' and resid 5 through 9 Processing helix chain '3' and resid 12 through 31 Processing helix chain '3' and resid 32 through 36 Processing helix chain '3' and resid 86 through 94 removed outlier: 4.059A pdb=" N GLU 3 93 " --> pdb=" O ILE 3 89 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N ARG 3 94 " --> pdb=" O ASP 3 90 " (cutoff:3.500A) Processing helix chain '3' and resid 101 through 121 Processing helix chain '3' and resid 123 through 127 Processing helix chain '3' and resid 130 through 135 Processing helix chain '3' and resid 145 through 147 No H-bonds generated for 'chain '3' and resid 145 through 147' Processing helix chain '3' and resid 148 through 163 removed outlier: 3.503A pdb=" N VAL 3 152 " --> pdb=" O GLU 3 148 " (cutoff:3.500A) Processing helix chain '3' and resid 174 through 184 Processing helix chain '3' and resid 190 through 199 Processing helix chain '4' and resid 5 through 9 Processing helix chain '4' and resid 12 through 31 Processing helix chain '4' and resid 32 through 36 Processing helix chain '4' and resid 86 through 94 removed outlier: 4.059A pdb=" N GLU 4 93 " --> pdb=" O ILE 4 89 " (cutoff:3.500A) removed outlier: 3.628A pdb=" N ARG 4 94 " --> pdb=" O ASP 4 90 " (cutoff:3.500A) Processing helix chain '4' and resid 101 through 121 Processing helix chain '4' and resid 123 through 127 Processing helix chain '4' and resid 130 through 135 Processing helix chain '4' and resid 145 through 147 No H-bonds generated for 'chain '4' and resid 145 through 147' Processing helix chain '4' and resid 148 through 163 removed outlier: 3.504A pdb=" N VAL 4 152 " --> pdb=" O GLU 4 148 " (cutoff:3.500A) Processing helix chain '4' and resid 174 through 184 Processing helix chain '4' and resid 190 through 199 Processing helix chain '5' and resid 5 through 9 Processing helix chain '5' and resid 12 through 31 Processing helix chain '5' and resid 32 through 36 Processing helix chain '5' and resid 86 through 94 removed outlier: 4.058A pdb=" N GLU 5 93 " --> pdb=" O ILE 5 89 " (cutoff:3.500A) removed outlier: 3.628A pdb=" N ARG 5 94 " --> pdb=" O ASP 5 90 " (cutoff:3.500A) Processing helix chain '5' and resid 101 through 121 Processing helix chain '5' and resid 123 through 127 Processing helix chain '5' and resid 130 through 135 Processing helix chain '5' and resid 145 through 147 No H-bonds generated for 'chain '5' and resid 145 through 147' Processing helix chain '5' and resid 148 through 163 removed outlier: 3.503A pdb=" N VAL 5 152 " --> pdb=" O GLU 5 148 " (cutoff:3.500A) Processing helix chain '5' and resid 174 through 184 Processing helix chain '5' and resid 190 through 199 Processing helix chain '6' and resid 5 through 9 Processing helix chain '6' and resid 12 through 31 Processing helix chain '6' and resid 32 through 36 Processing helix chain '6' and resid 86 through 94 removed outlier: 4.060A pdb=" N GLU 6 93 " --> pdb=" O ILE 6 89 " (cutoff:3.500A) removed outlier: 3.628A pdb=" N ARG 6 94 " --> pdb=" O ASP 6 90 " (cutoff:3.500A) Processing helix chain '6' and resid 101 through 121 Processing helix chain '6' and resid 123 through 127 Processing helix chain '6' and resid 130 through 135 Processing helix chain '6' and resid 145 through 147 No H-bonds generated for 'chain '6' and resid 145 through 147' Processing helix chain '6' and resid 148 through 163 removed outlier: 3.504A pdb=" N VAL 6 152 " --> pdb=" O GLU 6 148 " (cutoff:3.500A) Processing helix chain '6' and resid 174 through 184 Processing helix chain '6' and resid 190 through 199 Processing helix chain '7' and resid 5 through 9 Processing helix chain '7' and resid 12 through 31 Processing helix chain '7' and resid 32 through 36 Processing helix chain '7' and resid 86 through 94 removed outlier: 4.059A pdb=" N GLU 7 93 " --> pdb=" O ILE 7 89 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N ARG 7 94 " --> pdb=" O ASP 7 90 " (cutoff:3.500A) Processing helix chain '7' and resid 101 through 121 Processing helix chain '7' and resid 123 through 127 Processing helix chain '7' and resid 130 through 135 Processing helix chain '7' and resid 145 through 147 No H-bonds generated for 'chain '7' and resid 145 through 147' Processing helix chain '7' and resid 148 through 163 removed outlier: 3.503A pdb=" N VAL 7 152 " --> pdb=" O GLU 7 148 " (cutoff:3.500A) Processing helix chain '7' and resid 174 through 184 Processing helix chain '7' and resid 190 through 199 Processing sheet with id=AA1, first strand: chain 'A' and resid 38 through 39 removed outlier: 6.477A pdb=" N ASP A 38 " --> pdb=" O LEU A 224 " (cutoff:3.500A) removed outlier: 7.115A pdb=" N LEU A 226 " --> pdb=" O ASP A 38 " (cutoff:3.500A) removed outlier: 10.351A pdb=" N LEU A 226 " --> pdb=" O LEU A 253 " (cutoff:3.500A) removed outlier: 11.348A pdb=" N LEU A 253 " --> pdb=" O LEU A 226 " (cutoff:3.500A) removed outlier: 9.647A pdb=" N THR A 228 " --> pdb=" O THR A 251 " (cutoff:3.500A) removed outlier: 8.078A pdb=" N THR A 251 " --> pdb=" O THR A 228 " (cutoff:3.500A) removed outlier: 7.236A pdb=" N VAL A 230 " --> pdb=" O THR A 249 " (cutoff:3.500A) removed outlier: 8.463A pdb=" N THR A 249 " --> pdb=" O VAL A 230 " (cutoff:3.500A) removed outlier: 5.599A pdb=" N ILE A 232 " --> pdb=" O GLN A 247 " (cutoff:3.500A) removed outlier: 7.078A pdb=" N GLN A 247 " --> pdb=" O ILE A 232 " (cutoff:3.500A) removed outlier: 5.501A pdb=" N TYR A 234 " --> pdb=" O TYR A 245 " (cutoff:3.500A) removed outlier: 6.349A pdb=" N TYR A 245 " --> pdb=" O TYR A 234 " (cutoff:3.500A) removed outlier: 7.106A pdb=" N ALA 0 67 " --> pdb=" O ILE 0 56 " (cutoff:3.500A) removed outlier: 6.705A pdb=" N ILE 0 56 " --> pdb=" O ALA 0 67 " (cutoff:3.500A) removed outlier: 6.569A pdb=" N LEU 0 69 " --> pdb=" O ARG 0 54 " (cutoff:3.500A) removed outlier: 6.618A pdb=" N ARG 0 54 " --> pdb=" O LEU 0 69 " (cutoff:3.500A) removed outlier: 7.199A pdb=" N ALA 0 71 " --> pdb=" O THR 0 52 " (cutoff:3.500A) Processing sheet with id=AA2, first strand: chain 'A' and resid 49 through 57 removed outlier: 7.199A pdb=" N ALA A 71 " --> pdb=" O THR A 52 " (cutoff:3.500A) removed outlier: 6.617A pdb=" N ARG A 54 " --> pdb=" O LEU A 69 " (cutoff:3.500A) removed outlier: 6.569A pdb=" N LEU A 69 " --> pdb=" O ARG A 54 " (cutoff:3.500A) removed outlier: 6.705A pdb=" N ILE A 56 " --> pdb=" O ALA A 67 " (cutoff:3.500A) removed outlier: 7.106A pdb=" N ALA A 67 " --> pdb=" O ILE A 56 " (cutoff:3.500A) removed outlier: 6.350A pdb=" N TYR 0 245 " --> pdb=" O TYR 0 234 " (cutoff:3.500A) removed outlier: 5.502A pdb=" N TYR 0 234 " --> pdb=" O TYR 0 245 " (cutoff:3.500A) removed outlier: 7.078A pdb=" N GLN 0 247 " --> pdb=" O ILE 0 232 " (cutoff:3.500A) removed outlier: 5.600A pdb=" N ILE 0 232 " --> pdb=" O GLN 0 247 " (cutoff:3.500A) removed outlier: 8.463A pdb=" N THR 0 249 " --> pdb=" O VAL 0 230 " (cutoff:3.500A) removed outlier: 7.237A pdb=" N VAL 0 230 " --> pdb=" O THR 0 249 " (cutoff:3.500A) removed outlier: 8.078A pdb=" N THR 0 251 " --> pdb=" O THR 0 228 " (cutoff:3.500A) removed outlier: 9.647A pdb=" N THR 0 228 " --> pdb=" O THR 0 251 " (cutoff:3.500A) removed outlier: 11.348A pdb=" N LEU 0 253 " --> pdb=" O LEU 0 226 " (cutoff:3.500A) removed outlier: 10.350A pdb=" N LEU 0 226 " --> pdb=" O LEU 0 253 " (cutoff:3.500A) removed outlier: 6.477A pdb=" N ASP 0 38 " --> pdb=" O LEU 0 224 " (cutoff:3.500A) removed outlier: 7.115A pdb=" N LEU 0 226 " --> pdb=" O ASP 0 38 " (cutoff:3.500A) Processing sheet with id=AA3, first strand: chain 'A' and resid 140 through 141 removed outlier: 6.761A pdb=" N LEU A 140 " --> pdb=" O SER A 264 " (cutoff:3.500A) removed outlier: 8.360A pdb=" N ILE A 204 " --> pdb=" O TYR A 169 " (cutoff:3.500A) removed outlier: 6.643A pdb=" N VAL A 171 " --> pdb=" O ILE A 204 " (cutoff:3.500A) Processing sheet with id=AA4, first strand: chain 'B' and resid 38 through 39 removed outlier: 6.476A pdb=" N ASP B 38 " --> pdb=" O LEU B 224 " (cutoff:3.500A) removed outlier: 7.116A pdb=" N LEU B 226 " --> pdb=" O ASP B 38 " (cutoff:3.500A) removed outlier: 10.350A pdb=" N LEU B 226 " --> pdb=" O LEU B 253 " (cutoff:3.500A) removed outlier: 11.348A pdb=" N LEU B 253 " --> pdb=" O LEU B 226 " (cutoff:3.500A) removed outlier: 9.646A pdb=" N THR B 228 " --> pdb=" O THR B 251 " (cutoff:3.500A) removed outlier: 8.078A pdb=" N THR B 251 " --> pdb=" O THR B 228 " (cutoff:3.500A) removed outlier: 7.237A pdb=" N VAL B 230 " --> pdb=" O THR B 249 " (cutoff:3.500A) removed outlier: 8.464A pdb=" N THR B 249 " --> pdb=" O VAL B 230 " (cutoff:3.500A) removed outlier: 5.599A pdb=" N ILE B 232 " --> pdb=" O GLN B 247 " (cutoff:3.500A) removed outlier: 7.078A pdb=" N GLN B 247 " --> pdb=" O ILE B 232 " (cutoff:3.500A) removed outlier: 5.501A pdb=" N TYR B 234 " --> pdb=" O TYR B 245 " (cutoff:3.500A) removed outlier: 6.349A pdb=" N TYR B 245 " --> pdb=" O TYR B 234 " (cutoff:3.500A) removed outlier: 7.106A pdb=" N ALA T 67 " --> pdb=" O ILE T 56 " (cutoff:3.500A) removed outlier: 6.705A pdb=" N ILE T 56 " --> pdb=" O ALA T 67 " (cutoff:3.500A) removed outlier: 6.569A pdb=" N LEU T 69 " --> pdb=" O ARG T 54 " (cutoff:3.500A) removed outlier: 6.618A pdb=" N ARG T 54 " --> pdb=" O LEU T 69 " (cutoff:3.500A) removed outlier: 7.199A pdb=" N ALA T 71 " --> pdb=" O THR T 52 " (cutoff:3.500A) Processing sheet with id=AA5, first strand: chain 'B' and resid 49 through 57 removed outlier: 7.200A pdb=" N ALA B 71 " --> pdb=" O THR B 52 " (cutoff:3.500A) removed outlier: 6.617A pdb=" N ARG B 54 " --> pdb=" O LEU B 69 " (cutoff:3.500A) removed outlier: 6.569A pdb=" N LEU B 69 " --> pdb=" O ARG B 54 " (cutoff:3.500A) removed outlier: 6.704A pdb=" N ILE B 56 " --> pdb=" O ALA B 67 " (cutoff:3.500A) removed outlier: 7.106A pdb=" N ALA B 67 " --> pdb=" O ILE B 56 " (cutoff:3.500A) removed outlier: 6.349A pdb=" N TYR T 245 " --> pdb=" O TYR T 234 " (cutoff:3.500A) removed outlier: 5.501A pdb=" N TYR T 234 " --> pdb=" O TYR T 245 " (cutoff:3.500A) removed outlier: 7.078A pdb=" N GLN T 247 " --> pdb=" O ILE T 232 " (cutoff:3.500A) removed outlier: 5.599A pdb=" N ILE T 232 " --> pdb=" O GLN T 247 " (cutoff:3.500A) removed outlier: 8.464A pdb=" N THR T 249 " --> pdb=" O VAL T 230 " (cutoff:3.500A) removed outlier: 7.235A pdb=" N VAL T 230 " --> pdb=" O THR T 249 " (cutoff:3.500A) removed outlier: 8.078A pdb=" N THR T 251 " --> pdb=" O THR T 228 " (cutoff:3.500A) removed outlier: 9.647A pdb=" N THR T 228 " --> pdb=" O THR T 251 " (cutoff:3.500A) removed outlier: 11.349A pdb=" N LEU T 253 " --> pdb=" O LEU T 226 " (cutoff:3.500A) removed outlier: 10.351A pdb=" N LEU T 226 " --> pdb=" O LEU T 253 " (cutoff:3.500A) removed outlier: 6.476A pdb=" N ASP T 38 " --> pdb=" O LEU T 224 " (cutoff:3.500A) removed outlier: 7.116A pdb=" N LEU T 226 " --> pdb=" O ASP T 38 " (cutoff:3.500A) Processing sheet with id=AA6, first strand: chain 'B' and resid 140 through 141 removed outlier: 6.761A pdb=" N LEU B 140 " --> pdb=" O SER B 264 " (cutoff:3.500A) removed outlier: 8.359A pdb=" N ILE B 204 " --> pdb=" O TYR B 169 " (cutoff:3.500A) removed outlier: 6.641A pdb=" N VAL B 171 " --> pdb=" O ILE B 204 " (cutoff:3.500A) Processing sheet with id=AA7, first strand: chain 'C' and resid 38 through 39 removed outlier: 6.476A pdb=" N ASP C 38 " --> pdb=" O LEU C 224 " (cutoff:3.500A) removed outlier: 7.115A pdb=" N LEU C 226 " --> pdb=" O ASP C 38 " (cutoff:3.500A) removed outlier: 10.350A pdb=" N LEU C 226 " --> pdb=" O LEU C 253 " (cutoff:3.500A) removed outlier: 11.348A pdb=" N LEU C 253 " --> pdb=" O LEU C 226 " (cutoff:3.500A) removed outlier: 9.647A pdb=" N THR C 228 " --> pdb=" O THR C 251 " (cutoff:3.500A) removed outlier: 8.078A pdb=" N THR C 251 " --> pdb=" O THR C 228 " (cutoff:3.500A) removed outlier: 7.236A pdb=" N VAL C 230 " --> pdb=" O THR C 249 " (cutoff:3.500A) removed outlier: 8.463A pdb=" N THR C 249 " --> pdb=" O VAL C 230 " (cutoff:3.500A) removed outlier: 5.599A pdb=" N ILE C 232 " --> pdb=" O GLN C 247 " (cutoff:3.500A) removed outlier: 7.078A pdb=" N GLN C 247 " --> pdb=" O ILE C 232 " (cutoff:3.500A) removed outlier: 5.502A pdb=" N TYR C 234 " --> pdb=" O TYR C 245 " (cutoff:3.500A) removed outlier: 6.349A pdb=" N TYR C 245 " --> pdb=" O TYR C 234 " (cutoff:3.500A) removed outlier: 7.106A pdb=" N ALA G 67 " --> pdb=" O ILE G 56 " (cutoff:3.500A) removed outlier: 6.704A pdb=" N ILE G 56 " --> pdb=" O ALA G 67 " (cutoff:3.500A) removed outlier: 6.569A pdb=" N LEU G 69 " --> pdb=" O ARG G 54 " (cutoff:3.500A) removed outlier: 6.618A pdb=" N ARG G 54 " --> pdb=" O LEU G 69 " (cutoff:3.500A) removed outlier: 7.200A pdb=" N ALA G 71 " --> pdb=" O THR G 52 " (cutoff:3.500A) Processing sheet with id=AA8, first strand: chain 'C' and resid 49 through 57 removed outlier: 7.200A pdb=" N ALA C 71 " --> pdb=" O THR C 52 " (cutoff:3.500A) removed outlier: 6.618A pdb=" N ARG C 54 " --> pdb=" O LEU C 69 " (cutoff:3.500A) removed outlier: 6.568A pdb=" N LEU C 69 " --> pdb=" O ARG C 54 " (cutoff:3.500A) removed outlier: 6.704A pdb=" N ILE C 56 " --> pdb=" O ALA C 67 " (cutoff:3.500A) removed outlier: 7.106A pdb=" N ALA C 67 " --> pdb=" O ILE C 56 " (cutoff:3.500A) removed outlier: 6.349A pdb=" N TYR G 245 " --> pdb=" O TYR G 234 " (cutoff:3.500A) removed outlier: 5.501A pdb=" N TYR G 234 " --> pdb=" O TYR G 245 " (cutoff:3.500A) removed outlier: 7.078A pdb=" N GLN G 247 " --> pdb=" O ILE G 232 " (cutoff:3.500A) removed outlier: 5.599A pdb=" N ILE G 232 " --> pdb=" O GLN G 247 " (cutoff:3.500A) removed outlier: 8.463A pdb=" N THR G 249 " --> pdb=" O VAL G 230 " (cutoff:3.500A) removed outlier: 7.237A pdb=" N VAL G 230 " --> pdb=" O THR G 249 " (cutoff:3.500A) removed outlier: 8.077A pdb=" N THR G 251 " --> pdb=" O THR G 228 " (cutoff:3.500A) removed outlier: 9.647A pdb=" N THR G 228 " --> pdb=" O THR G 251 " (cutoff:3.500A) removed outlier: 11.349A pdb=" N LEU G 253 " --> pdb=" O LEU G 226 " (cutoff:3.500A) removed outlier: 10.351A pdb=" N LEU G 226 " --> pdb=" O LEU G 253 " (cutoff:3.500A) removed outlier: 6.476A pdb=" N ASP G 38 " --> pdb=" O LEU G 224 " (cutoff:3.500A) removed outlier: 7.115A pdb=" N LEU G 226 " --> pdb=" O ASP G 38 " (cutoff:3.500A) Processing sheet with id=AA9, first strand: chain 'C' and resid 140 through 141 removed outlier: 6.761A pdb=" N LEU C 140 " --> pdb=" O SER C 264 " (cutoff:3.500A) removed outlier: 8.359A pdb=" N ILE C 204 " --> pdb=" O TYR C 169 " (cutoff:3.500A) removed outlier: 6.642A pdb=" N VAL C 171 " --> pdb=" O ILE C 204 " (cutoff:3.500A) Processing sheet with id=AB1, first strand: chain 'D' and resid 38 through 39 removed outlier: 6.477A pdb=" N ASP D 38 " --> pdb=" O LEU D 224 " (cutoff:3.500A) removed outlier: 7.115A pdb=" N LEU D 226 " --> pdb=" O ASP D 38 " (cutoff:3.500A) removed outlier: 10.350A pdb=" N LEU D 226 " --> pdb=" O LEU D 253 " (cutoff:3.500A) removed outlier: 11.349A pdb=" N LEU D 253 " --> pdb=" O LEU D 226 " (cutoff:3.500A) removed outlier: 9.647A pdb=" N THR D 228 " --> pdb=" O THR D 251 " (cutoff:3.500A) removed outlier: 8.078A pdb=" N THR D 251 " --> pdb=" O THR D 228 " (cutoff:3.500A) removed outlier: 7.236A pdb=" N VAL D 230 " --> pdb=" O THR D 249 " (cutoff:3.500A) removed outlier: 8.464A pdb=" N THR D 249 " --> pdb=" O VAL D 230 " (cutoff:3.500A) removed outlier: 5.600A pdb=" N ILE D 232 " --> pdb=" O GLN D 247 " (cutoff:3.500A) removed outlier: 7.079A pdb=" N GLN D 247 " --> pdb=" O ILE D 232 " (cutoff:3.500A) removed outlier: 5.502A pdb=" N TYR D 234 " --> pdb=" O TYR D 245 " (cutoff:3.500A) removed outlier: 6.349A pdb=" N TYR D 245 " --> pdb=" O TYR D 234 " (cutoff:3.500A) removed outlier: 7.106A pdb=" N ALA M 67 " --> pdb=" O ILE M 56 " (cutoff:3.500A) removed outlier: 6.705A pdb=" N ILE M 56 " --> pdb=" O ALA M 67 " (cutoff:3.500A) removed outlier: 6.569A pdb=" N LEU M 69 " --> pdb=" O ARG M 54 " (cutoff:3.500A) removed outlier: 6.617A pdb=" N ARG M 54 " --> pdb=" O LEU M 69 " (cutoff:3.500A) removed outlier: 7.199A pdb=" N ALA M 71 " --> pdb=" O THR M 52 " (cutoff:3.500A) Processing sheet with id=AB2, first strand: chain 'D' and resid 49 through 57 removed outlier: 7.200A pdb=" N ALA D 71 " --> pdb=" O THR D 52 " (cutoff:3.500A) removed outlier: 6.617A pdb=" N ARG D 54 " --> pdb=" O LEU D 69 " (cutoff:3.500A) removed outlier: 6.569A pdb=" N LEU D 69 " --> pdb=" O ARG D 54 " (cutoff:3.500A) removed outlier: 6.704A pdb=" N ILE D 56 " --> pdb=" O ALA D 67 " (cutoff:3.500A) removed outlier: 7.106A pdb=" N ALA D 67 " --> pdb=" O ILE D 56 " (cutoff:3.500A) removed outlier: 6.349A pdb=" N TYR M 245 " --> pdb=" O TYR M 234 " (cutoff:3.500A) removed outlier: 5.502A pdb=" N TYR M 234 " --> pdb=" O TYR M 245 " (cutoff:3.500A) removed outlier: 7.079A pdb=" N GLN M 247 " --> pdb=" O ILE M 232 " (cutoff:3.500A) removed outlier: 5.599A pdb=" N ILE M 232 " --> pdb=" O GLN M 247 " (cutoff:3.500A) removed outlier: 8.463A pdb=" N THR M 249 " --> pdb=" O VAL M 230 " (cutoff:3.500A) removed outlier: 7.236A pdb=" N VAL M 230 " --> pdb=" O THR M 249 " (cutoff:3.500A) removed outlier: 8.077A pdb=" N THR M 251 " --> pdb=" O THR M 228 " (cutoff:3.500A) removed outlier: 9.646A pdb=" N THR M 228 " --> pdb=" O THR M 251 " (cutoff:3.500A) removed outlier: 11.349A pdb=" N LEU M 253 " --> pdb=" O LEU M 226 " (cutoff:3.500A) removed outlier: 10.351A pdb=" N LEU M 226 " --> pdb=" O LEU M 253 " (cutoff:3.500A) removed outlier: 6.477A pdb=" N ASP M 38 " --> pdb=" O LEU M 224 " (cutoff:3.500A) removed outlier: 7.115A pdb=" N LEU M 226 " --> pdb=" O ASP M 38 " (cutoff:3.500A) Processing sheet with id=AB3, first strand: chain 'D' and resid 140 through 141 removed outlier: 6.761A pdb=" N LEU D 140 " --> pdb=" O SER D 264 " (cutoff:3.500A) removed outlier: 8.360A pdb=" N ILE D 204 " --> pdb=" O TYR D 169 " (cutoff:3.500A) removed outlier: 6.642A pdb=" N VAL D 171 " --> pdb=" O ILE D 204 " (cutoff:3.500A) Processing sheet with id=AB4, first strand: chain 'E' and resid 38 through 39 removed outlier: 6.477A pdb=" N ASP E 38 " --> pdb=" O LEU E 224 " (cutoff:3.500A) removed outlier: 7.115A pdb=" N LEU E 226 " --> pdb=" O ASP E 38 " (cutoff:3.500A) removed outlier: 10.351A pdb=" N LEU E 226 " --> pdb=" O LEU E 253 " (cutoff:3.500A) removed outlier: 11.349A pdb=" N LEU E 253 " --> pdb=" O LEU E 226 " (cutoff:3.500A) removed outlier: 9.647A pdb=" N THR E 228 " --> pdb=" O THR E 251 " (cutoff:3.500A) removed outlier: 8.078A pdb=" N THR E 251 " --> pdb=" O THR E 228 " (cutoff:3.500A) removed outlier: 7.236A pdb=" N VAL E 230 " --> pdb=" O THR E 249 " (cutoff:3.500A) removed outlier: 8.464A pdb=" N THR E 249 " --> pdb=" O VAL E 230 " (cutoff:3.500A) removed outlier: 5.599A pdb=" N ILE E 232 " --> pdb=" O GLN E 247 " (cutoff:3.500A) removed outlier: 7.078A pdb=" N GLN E 247 " --> pdb=" O ILE E 232 " (cutoff:3.500A) removed outlier: 5.503A pdb=" N TYR E 234 " --> pdb=" O TYR E 245 " (cutoff:3.500A) removed outlier: 6.348A pdb=" N TYR E 245 " --> pdb=" O TYR E 234 " (cutoff:3.500A) removed outlier: 7.107A pdb=" N ALA U 67 " --> pdb=" O ILE U 56 " (cutoff:3.500A) removed outlier: 6.704A pdb=" N ILE U 56 " --> pdb=" O ALA U 67 " (cutoff:3.500A) removed outlier: 6.568A pdb=" N LEU U 69 " --> pdb=" O ARG U 54 " (cutoff:3.500A) removed outlier: 6.617A pdb=" N ARG U 54 " --> pdb=" O LEU U 69 " (cutoff:3.500A) removed outlier: 7.199A pdb=" N ALA U 71 " --> pdb=" O THR U 52 " (cutoff:3.500A) Processing sheet with id=AB5, first strand: chain 'E' and resid 49 through 57 removed outlier: 7.199A pdb=" N ALA E 71 " --> pdb=" O THR E 52 " (cutoff:3.500A) removed outlier: 6.618A pdb=" N ARG E 54 " --> pdb=" O LEU E 69 " (cutoff:3.500A) removed outlier: 6.569A pdb=" N LEU E 69 " --> pdb=" O ARG E 54 " (cutoff:3.500A) removed outlier: 6.704A pdb=" N ILE E 56 " --> pdb=" O ALA E 67 " (cutoff:3.500A) removed outlier: 7.106A pdb=" N ALA E 67 " --> pdb=" O ILE E 56 " (cutoff:3.500A) removed outlier: 6.349A pdb=" N TYR U 245 " --> pdb=" O TYR U 234 " (cutoff:3.500A) removed outlier: 5.502A pdb=" N TYR U 234 " --> pdb=" O TYR U 245 " (cutoff:3.500A) removed outlier: 7.078A pdb=" N GLN U 247 " --> pdb=" O ILE U 232 " (cutoff:3.500A) removed outlier: 5.600A pdb=" N ILE U 232 " --> pdb=" O GLN U 247 " (cutoff:3.500A) removed outlier: 8.463A pdb=" N THR U 249 " --> pdb=" O VAL U 230 " (cutoff:3.500A) removed outlier: 7.237A pdb=" N VAL U 230 " --> pdb=" O THR U 249 " (cutoff:3.500A) removed outlier: 8.078A pdb=" N THR U 251 " --> pdb=" O THR U 228 " (cutoff:3.500A) removed outlier: 9.646A pdb=" N THR U 228 " --> pdb=" O THR U 251 " (cutoff:3.500A) removed outlier: 11.349A pdb=" N LEU U 253 " --> pdb=" O LEU U 226 " (cutoff:3.500A) removed outlier: 10.351A pdb=" N LEU U 226 " --> pdb=" O LEU U 253 " (cutoff:3.500A) removed outlier: 6.477A pdb=" N ASP U 38 " --> pdb=" O LEU U 224 " (cutoff:3.500A) removed outlier: 7.115A pdb=" N LEU U 226 " --> pdb=" O ASP U 38 " (cutoff:3.500A) Processing sheet with id=AB6, first strand: chain 'E' and resid 140 through 141 removed outlier: 6.761A pdb=" N LEU E 140 " --> pdb=" O SER E 264 " (cutoff:3.500A) removed outlier: 8.360A pdb=" N ILE E 204 " --> pdb=" O TYR E 169 " (cutoff:3.500A) removed outlier: 6.642A pdb=" N VAL E 171 " --> pdb=" O ILE E 204 " (cutoff:3.500A) Processing sheet with id=AB7, first strand: chain 'F' and resid 38 through 39 removed outlier: 6.477A pdb=" N ASP F 38 " --> pdb=" O LEU F 224 " (cutoff:3.500A) removed outlier: 7.116A pdb=" N LEU F 226 " --> pdb=" O ASP F 38 " (cutoff:3.500A) removed outlier: 10.350A pdb=" N LEU F 226 " --> pdb=" O LEU F 253 " (cutoff:3.500A) removed outlier: 11.349A pdb=" N LEU F 253 " --> pdb=" O LEU F 226 " (cutoff:3.500A) removed outlier: 9.647A pdb=" N THR F 228 " --> pdb=" O THR F 251 " (cutoff:3.500A) removed outlier: 8.078A pdb=" N THR F 251 " --> pdb=" O THR F 228 " (cutoff:3.500A) removed outlier: 7.236A pdb=" N VAL F 230 " --> pdb=" O THR F 249 " (cutoff:3.500A) removed outlier: 8.463A pdb=" N THR F 249 " --> pdb=" O VAL F 230 " (cutoff:3.500A) removed outlier: 5.600A pdb=" N ILE F 232 " --> pdb=" O GLN F 247 " (cutoff:3.500A) removed outlier: 7.079A pdb=" N GLN F 247 " --> pdb=" O ILE F 232 " (cutoff:3.500A) removed outlier: 5.502A pdb=" N TYR F 234 " --> pdb=" O TYR F 245 " (cutoff:3.500A) removed outlier: 6.349A pdb=" N TYR F 245 " --> pdb=" O TYR F 234 " (cutoff:3.500A) removed outlier: 7.106A pdb=" N ALA S 67 " --> pdb=" O ILE S 56 " (cutoff:3.500A) removed outlier: 6.704A pdb=" N ILE S 56 " --> pdb=" O ALA S 67 " (cutoff:3.500A) removed outlier: 6.569A pdb=" N LEU S 69 " --> pdb=" O ARG S 54 " (cutoff:3.500A) removed outlier: 6.618A pdb=" N ARG S 54 " --> pdb=" O LEU S 69 " (cutoff:3.500A) removed outlier: 7.199A pdb=" N ALA S 71 " --> pdb=" O THR S 52 " (cutoff:3.500A) Processing sheet with id=AB8, first strand: chain 'F' and resid 49 through 57 removed outlier: 7.200A pdb=" N ALA F 71 " --> pdb=" O THR F 52 " (cutoff:3.500A) removed outlier: 6.618A pdb=" N ARG F 54 " --> pdb=" O LEU F 69 " (cutoff:3.500A) removed outlier: 6.569A pdb=" N LEU F 69 " --> pdb=" O ARG F 54 " (cutoff:3.500A) removed outlier: 6.704A pdb=" N ILE F 56 " --> pdb=" O ALA F 67 " (cutoff:3.500A) removed outlier: 7.106A pdb=" N ALA F 67 " --> pdb=" O ILE F 56 " (cutoff:3.500A) removed outlier: 6.349A pdb=" N TYR S 245 " --> pdb=" O TYR S 234 " (cutoff:3.500A) removed outlier: 5.501A pdb=" N TYR S 234 " --> pdb=" O TYR S 245 " (cutoff:3.500A) removed outlier: 7.078A pdb=" N GLN S 247 " --> pdb=" O ILE S 232 " (cutoff:3.500A) removed outlier: 5.599A pdb=" N ILE S 232 " --> pdb=" O GLN S 247 " (cutoff:3.500A) removed outlier: 8.464A pdb=" N THR S 249 " --> pdb=" O VAL S 230 " (cutoff:3.500A) removed outlier: 7.236A pdb=" N VAL S 230 " --> pdb=" O THR S 249 " (cutoff:3.500A) removed outlier: 8.077A pdb=" N THR S 251 " --> pdb=" O THR S 228 " (cutoff:3.500A) removed outlier: 9.647A pdb=" N THR S 228 " --> pdb=" O THR S 251 " (cutoff:3.500A) removed outlier: 11.349A pdb=" N LEU S 253 " --> pdb=" O LEU S 226 " (cutoff:3.500A) removed outlier: 10.350A pdb=" N LEU S 226 " --> pdb=" O LEU S 253 " (cutoff:3.500A) removed outlier: 6.476A pdb=" N ASP S 38 " --> pdb=" O LEU S 224 " (cutoff:3.500A) removed outlier: 7.115A pdb=" N LEU S 226 " --> pdb=" O ASP S 38 " (cutoff:3.500A) Processing sheet with id=AB9, first strand: chain 'F' and resid 140 through 141 removed outlier: 6.760A pdb=" N LEU F 140 " --> pdb=" O SER F 264 " (cutoff:3.500A) removed outlier: 8.359A pdb=" N ILE F 204 " --> pdb=" O TYR F 169 " (cutoff:3.500A) removed outlier: 6.642A pdb=" N VAL F 171 " --> pdb=" O ILE F 204 " (cutoff:3.500A) Processing sheet with id=AC1, first strand: chain 'G' and resid 140 through 141 removed outlier: 6.761A pdb=" N LEU G 140 " --> pdb=" O SER G 264 " (cutoff:3.500A) removed outlier: 8.360A pdb=" N ILE G 204 " --> pdb=" O TYR G 169 " (cutoff:3.500A) removed outlier: 6.642A pdb=" N VAL G 171 " --> pdb=" O ILE G 204 " (cutoff:3.500A) Processing sheet with id=AC2, first strand: chain 'H' and resid 38 through 39 removed outlier: 6.476A pdb=" N ASP H 38 " --> pdb=" O LEU H 224 " (cutoff:3.500A) removed outlier: 7.116A pdb=" N LEU H 226 " --> pdb=" O ASP H 38 " (cutoff:3.500A) removed outlier: 10.350A pdb=" N LEU H 226 " --> pdb=" O LEU H 253 " (cutoff:3.500A) removed outlier: 11.349A pdb=" N LEU H 253 " --> pdb=" O LEU H 226 " (cutoff:3.500A) removed outlier: 9.647A pdb=" N THR H 228 " --> pdb=" O THR H 251 " (cutoff:3.500A) removed outlier: 8.078A pdb=" N THR H 251 " --> pdb=" O THR H 228 " (cutoff:3.500A) removed outlier: 7.236A pdb=" N VAL H 230 " --> pdb=" O THR H 249 " (cutoff:3.500A) removed outlier: 8.464A pdb=" N THR H 249 " --> pdb=" O VAL H 230 " (cutoff:3.500A) removed outlier: 5.600A pdb=" N ILE H 232 " --> pdb=" O GLN H 247 " (cutoff:3.500A) removed outlier: 7.078A pdb=" N GLN H 247 " --> pdb=" O ILE H 232 " (cutoff:3.500A) removed outlier: 5.501A pdb=" N TYR H 234 " --> pdb=" O TYR H 245 " (cutoff:3.500A) removed outlier: 6.349A pdb=" N TYR H 245 " --> pdb=" O TYR H 234 " (cutoff:3.500A) removed outlier: 7.107A pdb=" N ALA l 67 " --> pdb=" O ILE l 56 " (cutoff:3.500A) removed outlier: 6.704A pdb=" N ILE l 56 " --> pdb=" O ALA l 67 " (cutoff:3.500A) removed outlier: 6.569A pdb=" N LEU l 69 " --> pdb=" O ARG l 54 " (cutoff:3.500A) removed outlier: 6.617A pdb=" N ARG l 54 " --> pdb=" O LEU l 69 " (cutoff:3.500A) removed outlier: 7.199A pdb=" N ALA l 71 " --> pdb=" O THR l 52 " (cutoff:3.500A) Processing sheet with id=AC3, first strand: chain 'H' and resid 49 through 57 removed outlier: 7.199A pdb=" N ALA H 71 " --> pdb=" O THR H 52 " (cutoff:3.500A) removed outlier: 6.618A pdb=" N ARG H 54 " --> pdb=" O LEU H 69 " (cutoff:3.500A) removed outlier: 6.570A pdb=" N LEU H 69 " --> pdb=" O ARG H 54 " (cutoff:3.500A) removed outlier: 6.704A pdb=" N ILE H 56 " --> pdb=" O ALA H 67 " (cutoff:3.500A) removed outlier: 7.106A pdb=" N ALA H 67 " --> pdb=" O ILE H 56 " (cutoff:3.500A) removed outlier: 6.349A pdb=" N TYR l 245 " --> pdb=" O TYR l 234 " (cutoff:3.500A) removed outlier: 5.502A pdb=" N TYR l 234 " --> pdb=" O TYR l 245 " (cutoff:3.500A) removed outlier: 7.079A pdb=" N GLN l 247 " --> pdb=" O ILE l 232 " (cutoff:3.500A) removed outlier: 5.600A pdb=" N ILE l 232 " --> pdb=" O GLN l 247 " (cutoff:3.500A) removed outlier: 8.463A pdb=" N THR l 249 " --> pdb=" O VAL l 230 " (cutoff:3.500A) removed outlier: 7.236A pdb=" N VAL l 230 " --> pdb=" O THR l 249 " (cutoff:3.500A) removed outlier: 8.078A pdb=" N THR l 251 " --> pdb=" O THR l 228 " (cutoff:3.500A) removed outlier: 9.646A pdb=" N THR l 228 " --> pdb=" O THR l 251 " (cutoff:3.500A) removed outlier: 11.348A pdb=" N LEU l 253 " --> pdb=" O LEU l 226 " (cutoff:3.500A) removed outlier: 10.350A pdb=" N LEU l 226 " --> pdb=" O LEU l 253 " (cutoff:3.500A) removed outlier: 6.476A pdb=" N ASP l 38 " --> pdb=" O LEU l 224 " (cutoff:3.500A) removed outlier: 7.115A pdb=" N LEU l 226 " --> pdb=" O ASP l 38 " (cutoff:3.500A) Processing sheet with id=AC4, first strand: chain 'H' and resid 140 through 141 removed outlier: 6.761A pdb=" N LEU H 140 " --> pdb=" O SER H 264 " (cutoff:3.500A) removed outlier: 8.360A pdb=" N ILE H 204 " --> pdb=" O TYR H 169 " (cutoff:3.500A) removed outlier: 6.641A pdb=" N VAL H 171 " --> pdb=" O ILE H 204 " (cutoff:3.500A) Processing sheet with id=AC5, first strand: chain 'I' and resid 38 through 39 removed outlier: 6.476A pdb=" N ASP I 38 " --> pdb=" O LEU I 224 " (cutoff:3.500A) removed outlier: 7.115A pdb=" N LEU I 226 " --> pdb=" O ASP I 38 " (cutoff:3.500A) removed outlier: 10.350A pdb=" N LEU I 226 " --> pdb=" O LEU I 253 " (cutoff:3.500A) removed outlier: 11.348A pdb=" N LEU I 253 " --> pdb=" O LEU I 226 " (cutoff:3.500A) removed outlier: 9.647A pdb=" N THR I 228 " --> pdb=" O THR I 251 " (cutoff:3.500A) removed outlier: 8.077A pdb=" N THR I 251 " --> pdb=" O THR I 228 " (cutoff:3.500A) removed outlier: 7.236A pdb=" N VAL I 230 " --> pdb=" O THR I 249 " (cutoff:3.500A) removed outlier: 8.464A pdb=" N THR I 249 " --> pdb=" O VAL I 230 " (cutoff:3.500A) removed outlier: 5.600A pdb=" N ILE I 232 " --> pdb=" O GLN I 247 " (cutoff:3.500A) removed outlier: 7.078A pdb=" N GLN I 247 " --> pdb=" O ILE I 232 " (cutoff:3.500A) removed outlier: 5.502A pdb=" N TYR I 234 " --> pdb=" O TYR I 245 " (cutoff:3.500A) removed outlier: 6.350A pdb=" N TYR I 245 " --> pdb=" O TYR I 234 " (cutoff:3.500A) removed outlier: 7.106A pdb=" N ALA N 67 " --> pdb=" O ILE N 56 " (cutoff:3.500A) removed outlier: 6.705A pdb=" N ILE N 56 " --> pdb=" O ALA N 67 " (cutoff:3.500A) removed outlier: 6.569A pdb=" N LEU N 69 " --> pdb=" O ARG N 54 " (cutoff:3.500A) removed outlier: 6.618A pdb=" N ARG N 54 " --> pdb=" O LEU N 69 " (cutoff:3.500A) removed outlier: 7.199A pdb=" N ALA N 71 " --> pdb=" O THR N 52 " (cutoff:3.500A) Processing sheet with id=AC6, first strand: chain 'I' and resid 49 through 57 removed outlier: 7.200A pdb=" N ALA I 71 " --> pdb=" O THR I 52 " (cutoff:3.500A) removed outlier: 6.618A pdb=" N ARG I 54 " --> pdb=" O LEU I 69 " (cutoff:3.500A) removed outlier: 6.569A pdb=" N LEU I 69 " --> pdb=" O ARG I 54 " (cutoff:3.500A) removed outlier: 6.705A pdb=" N ILE I 56 " --> pdb=" O ALA I 67 " (cutoff:3.500A) removed outlier: 7.106A pdb=" N ALA I 67 " --> pdb=" O ILE I 56 " (cutoff:3.500A) removed outlier: 6.350A pdb=" N TYR N 245 " --> pdb=" O TYR N 234 " (cutoff:3.500A) removed outlier: 5.501A pdb=" N TYR N 234 " --> pdb=" O TYR N 245 " (cutoff:3.500A) removed outlier: 7.079A pdb=" N GLN N 247 " --> pdb=" O ILE N 232 " (cutoff:3.500A) removed outlier: 5.599A pdb=" N ILE N 232 " --> pdb=" O GLN N 247 " (cutoff:3.500A) removed outlier: 8.464A pdb=" N THR N 249 " --> pdb=" O VAL N 230 " (cutoff:3.500A) removed outlier: 7.236A pdb=" N VAL N 230 " --> pdb=" O THR N 249 " (cutoff:3.500A) removed outlier: 8.078A pdb=" N THR N 251 " --> pdb=" O THR N 228 " (cutoff:3.500A) removed outlier: 9.647A pdb=" N THR N 228 " --> pdb=" O THR N 251 " (cutoff:3.500A) removed outlier: 11.348A pdb=" N LEU N 253 " --> pdb=" O LEU N 226 " (cutoff:3.500A) removed outlier: 10.351A pdb=" N LEU N 226 " --> pdb=" O LEU N 253 " (cutoff:3.500A) removed outlier: 6.476A pdb=" N ASP N 38 " --> pdb=" O LEU N 224 " (cutoff:3.500A) removed outlier: 7.116A pdb=" N LEU N 226 " --> pdb=" O ASP N 38 " (cutoff:3.500A) Processing sheet with id=AC7, first strand: chain 'I' and resid 140 through 141 removed outlier: 6.760A pdb=" N LEU I 140 " --> pdb=" O SER I 264 " (cutoff:3.500A) removed outlier: 8.360A pdb=" N ILE I 204 " --> pdb=" O TYR I 169 " (cutoff:3.500A) removed outlier: 6.641A pdb=" N VAL I 171 " --> pdb=" O ILE I 204 " (cutoff:3.500A) Processing sheet with id=AC8, first strand: chain 'J' and resid 38 through 39 removed outlier: 6.476A pdb=" N ASP J 38 " --> pdb=" O LEU J 224 " (cutoff:3.500A) removed outlier: 7.116A pdb=" N LEU J 226 " --> pdb=" O ASP J 38 " (cutoff:3.500A) removed outlier: 10.351A pdb=" N LEU J 226 " --> pdb=" O LEU J 253 " (cutoff:3.500A) removed outlier: 11.348A pdb=" N LEU J 253 " --> pdb=" O LEU J 226 " (cutoff:3.500A) removed outlier: 9.647A pdb=" N THR J 228 " --> pdb=" O THR J 251 " (cutoff:3.500A) removed outlier: 8.078A pdb=" N THR J 251 " --> pdb=" O THR J 228 " (cutoff:3.500A) removed outlier: 7.236A pdb=" N VAL J 230 " --> pdb=" O THR J 249 " (cutoff:3.500A) removed outlier: 8.463A pdb=" N THR J 249 " --> pdb=" O VAL J 230 " (cutoff:3.500A) removed outlier: 5.600A pdb=" N ILE J 232 " --> pdb=" O GLN J 247 " (cutoff:3.500A) removed outlier: 7.078A pdb=" N GLN J 247 " --> pdb=" O ILE J 232 " (cutoff:3.500A) removed outlier: 5.502A pdb=" N TYR J 234 " --> pdb=" O TYR J 245 " (cutoff:3.500A) removed outlier: 6.348A pdb=" N TYR J 245 " --> pdb=" O TYR J 234 " (cutoff:3.500A) removed outlier: 7.106A pdb=" N ALA m 67 " --> pdb=" O ILE m 56 " (cutoff:3.500A) removed outlier: 6.705A pdb=" N ILE m 56 " --> pdb=" O ALA m 67 " (cutoff:3.500A) removed outlier: 6.569A pdb=" N LEU m 69 " --> pdb=" O ARG m 54 " (cutoff:3.500A) removed outlier: 6.618A pdb=" N ARG m 54 " --> pdb=" O LEU m 69 " (cutoff:3.500A) removed outlier: 7.199A pdb=" N ALA m 71 " --> pdb=" O THR m 52 " (cutoff:3.500A) Processing sheet with id=AC9, first strand: chain 'J' and resid 49 through 57 removed outlier: 7.199A pdb=" N ALA J 71 " --> pdb=" O THR J 52 " (cutoff:3.500A) removed outlier: 6.618A pdb=" N ARG J 54 " --> pdb=" O LEU J 69 " (cutoff:3.500A) removed outlier: 6.569A pdb=" N LEU J 69 " --> pdb=" O ARG J 54 " (cutoff:3.500A) removed outlier: 6.705A pdb=" N ILE J 56 " --> pdb=" O ALA J 67 " (cutoff:3.500A) removed outlier: 7.106A pdb=" N ALA J 67 " --> pdb=" O ILE J 56 " (cutoff:3.500A) removed outlier: 6.349A pdb=" N TYR m 245 " --> pdb=" O TYR m 234 " (cutoff:3.500A) removed outlier: 5.502A pdb=" N TYR m 234 " --> pdb=" O TYR m 245 " (cutoff:3.500A) removed outlier: 7.079A pdb=" N GLN m 247 " --> pdb=" O ILE m 232 " (cutoff:3.500A) removed outlier: 5.600A pdb=" N ILE m 232 " --> pdb=" O GLN m 247 " (cutoff:3.500A) removed outlier: 8.463A pdb=" N THR m 249 " --> pdb=" O VAL m 230 " (cutoff:3.500A) removed outlier: 7.236A pdb=" N VAL m 230 " --> pdb=" O THR m 249 " (cutoff:3.500A) removed outlier: 8.077A pdb=" N THR m 251 " --> pdb=" O THR m 228 " (cutoff:3.500A) removed outlier: 9.647A pdb=" N THR m 228 " --> pdb=" O THR m 251 " (cutoff:3.500A) removed outlier: 11.348A pdb=" N LEU m 253 " --> pdb=" O LEU m 226 " (cutoff:3.500A) removed outlier: 10.351A pdb=" N LEU m 226 " --> pdb=" O LEU m 253 " (cutoff:3.500A) removed outlier: 6.477A pdb=" N ASP m 38 " --> pdb=" O LEU m 224 " (cutoff:3.500A) removed outlier: 7.116A pdb=" N LEU m 226 " --> pdb=" O ASP m 38 " (cutoff:3.500A) Processing sheet with id=AD1, first strand: chain 'J' and resid 140 through 141 removed outlier: 6.762A pdb=" N LEU J 140 " --> pdb=" O SER J 264 " (cutoff:3.500A) removed outlier: 8.359A pdb=" N ILE J 204 " --> pdb=" O TYR J 169 " (cutoff:3.500A) removed outlier: 6.642A pdb=" N VAL J 171 " --> pdb=" O ILE J 204 " (cutoff:3.500A) Processing sheet with id=AD2, first strand: chain 'K' and resid 38 through 39 removed outlier: 6.476A pdb=" N ASP K 38 " --> pdb=" O LEU K 224 " (cutoff:3.500A) removed outlier: 7.116A pdb=" N LEU K 226 " --> pdb=" O ASP K 38 " (cutoff:3.500A) removed outlier: 10.351A pdb=" N LEU K 226 " --> pdb=" O LEU K 253 " (cutoff:3.500A) removed outlier: 11.349A pdb=" N LEU K 253 " --> pdb=" O LEU K 226 " (cutoff:3.500A) removed outlier: 9.646A pdb=" N THR K 228 " --> pdb=" O THR K 251 " (cutoff:3.500A) removed outlier: 8.078A pdb=" N THR K 251 " --> pdb=" O THR K 228 " (cutoff:3.500A) removed outlier: 7.236A pdb=" N VAL K 230 " --> pdb=" O THR K 249 " (cutoff:3.500A) removed outlier: 8.463A pdb=" N THR K 249 " --> pdb=" O VAL K 230 " (cutoff:3.500A) removed outlier: 5.600A pdb=" N ILE K 232 " --> pdb=" O GLN K 247 " (cutoff:3.500A) removed outlier: 7.079A pdb=" N GLN K 247 " --> pdb=" O ILE K 232 " (cutoff:3.500A) removed outlier: 5.501A pdb=" N TYR K 234 " --> pdb=" O TYR K 245 " (cutoff:3.500A) removed outlier: 6.349A pdb=" N TYR K 245 " --> pdb=" O TYR K 234 " (cutoff:3.500A) removed outlier: 7.106A pdb=" N ALA f 67 " --> pdb=" O ILE f 56 " (cutoff:3.500A) removed outlier: 6.704A pdb=" N ILE f 56 " --> pdb=" O ALA f 67 " (cutoff:3.500A) removed outlier: 6.569A pdb=" N LEU f 69 " --> pdb=" O ARG f 54 " (cutoff:3.500A) removed outlier: 6.618A pdb=" N ARG f 54 " --> pdb=" O LEU f 69 " (cutoff:3.500A) removed outlier: 7.199A pdb=" N ALA f 71 " --> pdb=" O THR f 52 " (cutoff:3.500A) Processing sheet with id=AD3, first strand: chain 'K' and resid 49 through 57 removed outlier: 7.199A pdb=" N ALA K 71 " --> pdb=" O THR K 52 " (cutoff:3.500A) removed outlier: 6.617A pdb=" N ARG K 54 " --> pdb=" O LEU K 69 " (cutoff:3.500A) removed outlier: 6.568A pdb=" N LEU K 69 " --> pdb=" O ARG K 54 " (cutoff:3.500A) removed outlier: 6.704A pdb=" N ILE K 56 " --> pdb=" O ALA K 67 " (cutoff:3.500A) removed outlier: 7.106A pdb=" N ALA K 67 " --> pdb=" O ILE K 56 " (cutoff:3.500A) removed outlier: 6.349A pdb=" N TYR f 245 " --> pdb=" O TYR f 234 " (cutoff:3.500A) removed outlier: 5.501A pdb=" N TYR f 234 " --> pdb=" O TYR f 245 " (cutoff:3.500A) removed outlier: 7.078A pdb=" N GLN f 247 " --> pdb=" O ILE f 232 " (cutoff:3.500A) removed outlier: 5.599A pdb=" N ILE f 232 " --> pdb=" O GLN f 247 " (cutoff:3.500A) removed outlier: 8.464A pdb=" N THR f 249 " --> pdb=" O VAL f 230 " (cutoff:3.500A) removed outlier: 7.236A pdb=" N VAL f 230 " --> pdb=" O THR f 249 " (cutoff:3.500A) removed outlier: 8.077A pdb=" N THR f 251 " --> pdb=" O THR f 228 " (cutoff:3.500A) removed outlier: 9.647A pdb=" N THR f 228 " --> pdb=" O THR f 251 " (cutoff:3.500A) removed outlier: 11.348A pdb=" N LEU f 253 " --> pdb=" O LEU f 226 " (cutoff:3.500A) removed outlier: 10.351A pdb=" N LEU f 226 " --> pdb=" O LEU f 253 " (cutoff:3.500A) removed outlier: 6.477A pdb=" N ASP f 38 " --> pdb=" O LEU f 224 " (cutoff:3.500A) removed outlier: 7.116A pdb=" N LEU f 226 " --> pdb=" O ASP f 38 " (cutoff:3.500A) Processing sheet with id=AD4, first strand: chain 'K' and resid 140 through 141 removed outlier: 6.760A pdb=" N LEU K 140 " --> pdb=" O SER K 264 " (cutoff:3.500A) removed outlier: 8.360A pdb=" N ILE K 204 " --> pdb=" O TYR K 169 " (cutoff:3.500A) removed outlier: 6.642A pdb=" N VAL K 171 " --> pdb=" O ILE K 204 " (cutoff:3.500A) Processing sheet with id=AD5, first strand: chain 'L' and resid 38 through 39 removed outlier: 6.476A pdb=" N ASP L 38 " --> pdb=" O LEU L 224 " (cutoff:3.500A) removed outlier: 7.116A pdb=" N LEU L 226 " --> pdb=" O ASP L 38 " (cutoff:3.500A) removed outlier: 10.350A pdb=" N LEU L 226 " --> pdb=" O LEU L 253 " (cutoff:3.500A) removed outlier: 11.349A pdb=" N LEU L 253 " --> pdb=" O LEU L 226 " (cutoff:3.500A) removed outlier: 9.647A pdb=" N THR L 228 " --> pdb=" O THR L 251 " (cutoff:3.500A) removed outlier: 8.078A pdb=" N THR L 251 " --> pdb=" O THR L 228 " (cutoff:3.500A) removed outlier: 7.236A pdb=" N VAL L 230 " --> pdb=" O THR L 249 " (cutoff:3.500A) removed outlier: 8.463A pdb=" N THR L 249 " --> pdb=" O VAL L 230 " (cutoff:3.500A) removed outlier: 5.600A pdb=" N ILE L 232 " --> pdb=" O GLN L 247 " (cutoff:3.500A) removed outlier: 7.078A pdb=" N GLN L 247 " --> pdb=" O ILE L 232 " (cutoff:3.500A) removed outlier: 5.502A pdb=" N TYR L 234 " --> pdb=" O TYR L 245 " (cutoff:3.500A) removed outlier: 6.349A pdb=" N TYR L 245 " --> pdb=" O TYR L 234 " (cutoff:3.500A) removed outlier: 7.107A pdb=" N ALA 1 67 " --> pdb=" O ILE 1 56 " (cutoff:3.500A) removed outlier: 6.705A pdb=" N ILE 1 56 " --> pdb=" O ALA 1 67 " (cutoff:3.500A) removed outlier: 6.569A pdb=" N LEU 1 69 " --> pdb=" O ARG 1 54 " (cutoff:3.500A) removed outlier: 6.618A pdb=" N ARG 1 54 " --> pdb=" O LEU 1 69 " (cutoff:3.500A) removed outlier: 7.199A pdb=" N ALA 1 71 " --> pdb=" O THR 1 52 " (cutoff:3.500A) Processing sheet with id=AD6, first strand: chain 'L' and resid 49 through 57 removed outlier: 7.199A pdb=" N ALA L 71 " --> pdb=" O THR L 52 " (cutoff:3.500A) removed outlier: 6.618A pdb=" N ARG L 54 " --> pdb=" O LEU L 69 " (cutoff:3.500A) removed outlier: 6.568A pdb=" N LEU L 69 " --> pdb=" O ARG L 54 " (cutoff:3.500A) removed outlier: 6.704A pdb=" N ILE L 56 " --> pdb=" O ALA L 67 " (cutoff:3.500A) removed outlier: 7.106A pdb=" N ALA L 67 " --> pdb=" O ILE L 56 " (cutoff:3.500A) removed outlier: 6.349A pdb=" N TYR 1 245 " --> pdb=" O TYR 1 234 " (cutoff:3.500A) removed outlier: 5.502A pdb=" N TYR 1 234 " --> pdb=" O TYR 1 245 " (cutoff:3.500A) removed outlier: 7.079A pdb=" N GLN 1 247 " --> pdb=" O ILE 1 232 " (cutoff:3.500A) removed outlier: 5.600A pdb=" N ILE 1 232 " --> pdb=" O GLN 1 247 " (cutoff:3.500A) removed outlier: 8.464A pdb=" N THR 1 249 " --> pdb=" O VAL 1 230 " (cutoff:3.500A) removed outlier: 7.237A pdb=" N VAL 1 230 " --> pdb=" O THR 1 249 " (cutoff:3.500A) removed outlier: 8.077A pdb=" N THR 1 251 " --> pdb=" O THR 1 228 " (cutoff:3.500A) removed outlier: 9.647A pdb=" N THR 1 228 " --> pdb=" O THR 1 251 " (cutoff:3.500A) removed outlier: 11.349A pdb=" N LEU 1 253 " --> pdb=" O LEU 1 226 " (cutoff:3.500A) removed outlier: 10.350A pdb=" N LEU 1 226 " --> pdb=" O LEU 1 253 " (cutoff:3.500A) removed outlier: 6.477A pdb=" N ASP 1 38 " --> pdb=" O LEU 1 224 " (cutoff:3.500A) removed outlier: 7.116A pdb=" N LEU 1 226 " --> pdb=" O ASP 1 38 " (cutoff:3.500A) Processing sheet with id=AD7, first strand: chain 'L' and resid 140 through 141 removed outlier: 6.761A pdb=" N LEU L 140 " --> pdb=" O SER L 264 " (cutoff:3.500A) removed outlier: 8.360A pdb=" N ILE L 204 " --> pdb=" O TYR L 169 " (cutoff:3.500A) removed outlier: 6.643A pdb=" N VAL L 171 " --> pdb=" O ILE L 204 " (cutoff:3.500A) Processing sheet with id=AD8, first strand: chain 'M' and resid 140 through 141 removed outlier: 6.761A pdb=" N LEU M 140 " --> pdb=" O SER M 264 " (cutoff:3.500A) removed outlier: 8.360A pdb=" N ILE M 204 " --> pdb=" O TYR M 169 " (cutoff:3.500A) removed outlier: 6.642A pdb=" N VAL M 171 " --> pdb=" O ILE M 204 " (cutoff:3.500A) Processing sheet with id=AD9, first strand: chain 'N' and resid 140 through 141 removed outlier: 6.761A pdb=" N LEU N 140 " --> pdb=" O SER N 264 " (cutoff:3.500A) removed outlier: 8.360A pdb=" N ILE N 204 " --> pdb=" O TYR N 169 " (cutoff:3.500A) removed outlier: 6.642A pdb=" N VAL N 171 " --> pdb=" O ILE N 204 " (cutoff:3.500A) Processing sheet with id=AE1, first strand: chain 'O' and resid 38 through 39 removed outlier: 6.476A pdb=" N ASP O 38 " --> pdb=" O LEU O 224 " (cutoff:3.500A) removed outlier: 7.115A pdb=" N LEU O 226 " --> pdb=" O ASP O 38 " (cutoff:3.500A) removed outlier: 10.350A pdb=" N LEU O 226 " --> pdb=" O LEU O 253 " (cutoff:3.500A) removed outlier: 11.348A pdb=" N LEU O 253 " --> pdb=" O LEU O 226 " (cutoff:3.500A) removed outlier: 9.647A pdb=" N THR O 228 " --> pdb=" O THR O 251 " (cutoff:3.500A) removed outlier: 8.078A pdb=" N THR O 251 " --> pdb=" O THR O 228 " (cutoff:3.500A) removed outlier: 7.236A pdb=" N VAL O 230 " --> pdb=" O THR O 249 " (cutoff:3.500A) removed outlier: 8.464A pdb=" N THR O 249 " --> pdb=" O VAL O 230 " (cutoff:3.500A) removed outlier: 5.600A pdb=" N ILE O 232 " --> pdb=" O GLN O 247 " (cutoff:3.500A) removed outlier: 7.079A pdb=" N GLN O 247 " --> pdb=" O ILE O 232 " (cutoff:3.500A) removed outlier: 5.502A pdb=" N TYR O 234 " --> pdb=" O TYR O 245 " (cutoff:3.500A) removed outlier: 6.349A pdb=" N TYR O 245 " --> pdb=" O TYR O 234 " (cutoff:3.500A) removed outlier: 7.106A pdb=" N ALA V 67 " --> pdb=" O ILE V 56 " (cutoff:3.500A) removed outlier: 6.704A pdb=" N ILE V 56 " --> pdb=" O ALA V 67 " (cutoff:3.500A) removed outlier: 6.569A pdb=" N LEU V 69 " --> pdb=" O ARG V 54 " (cutoff:3.500A) removed outlier: 6.618A pdb=" N ARG V 54 " --> pdb=" O LEU V 69 " (cutoff:3.500A) removed outlier: 7.199A pdb=" N ALA V 71 " --> pdb=" O THR V 52 " (cutoff:3.500A) Processing sheet with id=AE2, first strand: chain 'O' and resid 49 through 57 removed outlier: 7.199A pdb=" N ALA O 71 " --> pdb=" O THR O 52 " (cutoff:3.500A) removed outlier: 6.618A pdb=" N ARG O 54 " --> pdb=" O LEU O 69 " (cutoff:3.500A) removed outlier: 6.569A pdb=" N LEU O 69 " --> pdb=" O ARG O 54 " (cutoff:3.500A) removed outlier: 6.704A pdb=" N ILE O 56 " --> pdb=" O ALA O 67 " (cutoff:3.500A) removed outlier: 7.106A pdb=" N ALA O 67 " --> pdb=" O ILE O 56 " (cutoff:3.500A) removed outlier: 6.349A pdb=" N TYR V 245 " --> pdb=" O TYR V 234 " (cutoff:3.500A) removed outlier: 5.502A pdb=" N TYR V 234 " --> pdb=" O TYR V 245 " (cutoff:3.500A) removed outlier: 7.079A pdb=" N GLN V 247 " --> pdb=" O ILE V 232 " (cutoff:3.500A) removed outlier: 5.599A pdb=" N ILE V 232 " --> pdb=" O GLN V 247 " (cutoff:3.500A) removed outlier: 8.464A pdb=" N THR V 249 " --> pdb=" O VAL V 230 " (cutoff:3.500A) removed outlier: 7.236A pdb=" N VAL V 230 " --> pdb=" O THR V 249 " (cutoff:3.500A) removed outlier: 8.078A pdb=" N THR V 251 " --> pdb=" O THR V 228 " (cutoff:3.500A) removed outlier: 9.647A pdb=" N THR V 228 " --> pdb=" O THR V 251 " (cutoff:3.500A) removed outlier: 11.348A pdb=" N LEU V 253 " --> pdb=" O LEU V 226 " (cutoff:3.500A) removed outlier: 10.351A pdb=" N LEU V 226 " --> pdb=" O LEU V 253 " (cutoff:3.500A) removed outlier: 6.476A pdb=" N ASP V 38 " --> pdb=" O LEU V 224 " (cutoff:3.500A) removed outlier: 7.115A pdb=" N LEU V 226 " --> pdb=" O ASP V 38 " (cutoff:3.500A) Processing sheet with id=AE3, first strand: chain 'O' and resid 140 through 141 removed outlier: 6.761A pdb=" N LEU O 140 " --> pdb=" O SER O 264 " (cutoff:3.500A) removed outlier: 8.360A pdb=" N ILE O 204 " --> pdb=" O TYR O 169 " (cutoff:3.500A) removed outlier: 6.641A pdb=" N VAL O 171 " --> pdb=" O ILE O 204 " (cutoff:3.500A) Processing sheet with id=AE4, first strand: chain 'P' and resid 38 through 39 removed outlier: 6.476A pdb=" N ASP P 38 " --> pdb=" O LEU P 224 " (cutoff:3.500A) removed outlier: 7.115A pdb=" N LEU P 226 " --> pdb=" O ASP P 38 " (cutoff:3.500A) removed outlier: 10.351A pdb=" N LEU P 226 " --> pdb=" O LEU P 253 " (cutoff:3.500A) removed outlier: 11.348A pdb=" N LEU P 253 " --> pdb=" O LEU P 226 " (cutoff:3.500A) removed outlier: 9.646A pdb=" N THR P 228 " --> pdb=" O THR P 251 " (cutoff:3.500A) removed outlier: 8.078A pdb=" N THR P 251 " --> pdb=" O THR P 228 " (cutoff:3.500A) removed outlier: 7.236A pdb=" N VAL P 230 " --> pdb=" O THR P 249 " (cutoff:3.500A) removed outlier: 8.463A pdb=" N THR P 249 " --> pdb=" O VAL P 230 " (cutoff:3.500A) removed outlier: 5.600A pdb=" N ILE P 232 " --> pdb=" O GLN P 247 " (cutoff:3.500A) removed outlier: 7.078A pdb=" N GLN P 247 " --> pdb=" O ILE P 232 " (cutoff:3.500A) removed outlier: 5.502A pdb=" N TYR P 234 " --> pdb=" O TYR P 245 " (cutoff:3.500A) removed outlier: 6.349A pdb=" N TYR P 245 " --> pdb=" O TYR P 234 " (cutoff:3.500A) removed outlier: 7.107A pdb=" N ALA u 67 " --> pdb=" O ILE u 56 " (cutoff:3.500A) removed outlier: 6.704A pdb=" N ILE u 56 " --> pdb=" O ALA u 67 " (cutoff:3.500A) removed outlier: 6.569A pdb=" N LEU u 69 " --> pdb=" O ARG u 54 " (cutoff:3.500A) removed outlier: 6.617A pdb=" N ARG u 54 " --> pdb=" O LEU u 69 " (cutoff:3.500A) removed outlier: 7.199A pdb=" N ALA u 71 " --> pdb=" O THR u 52 " (cutoff:3.500A) Processing sheet with id=AE5, first strand: chain 'P' and resid 49 through 57 removed outlier: 7.198A pdb=" N ALA P 71 " --> pdb=" O THR P 52 " (cutoff:3.500A) removed outlier: 6.617A pdb=" N ARG P 54 " --> pdb=" O LEU P 69 " (cutoff:3.500A) removed outlier: 6.570A pdb=" N LEU P 69 " --> pdb=" O ARG P 54 " (cutoff:3.500A) removed outlier: 6.705A pdb=" N ILE P 56 " --> pdb=" O ALA P 67 " (cutoff:3.500A) removed outlier: 7.107A pdb=" N ALA P 67 " --> pdb=" O ILE P 56 " (cutoff:3.500A) removed outlier: 6.349A pdb=" N TYR u 245 " --> pdb=" O TYR u 234 " (cutoff:3.500A) removed outlier: 5.501A pdb=" N TYR u 234 " --> pdb=" O TYR u 245 " (cutoff:3.500A) removed outlier: 7.079A pdb=" N GLN u 247 " --> pdb=" O ILE u 232 " (cutoff:3.500A) removed outlier: 5.599A pdb=" N ILE u 232 " --> pdb=" O GLN u 247 " (cutoff:3.500A) removed outlier: 8.463A pdb=" N THR u 249 " --> pdb=" O VAL u 230 " (cutoff:3.500A) removed outlier: 7.237A pdb=" N VAL u 230 " --> pdb=" O THR u 249 " (cutoff:3.500A) removed outlier: 8.078A pdb=" N THR u 251 " --> pdb=" O THR u 228 " (cutoff:3.500A) removed outlier: 9.646A pdb=" N THR u 228 " --> pdb=" O THR u 251 " (cutoff:3.500A) removed outlier: 11.349A pdb=" N LEU u 253 " --> pdb=" O LEU u 226 " (cutoff:3.500A) removed outlier: 10.351A pdb=" N LEU u 226 " --> pdb=" O LEU u 253 " (cutoff:3.500A) removed outlier: 6.476A pdb=" N ASP u 38 " --> pdb=" O LEU u 224 " (cutoff:3.500A) removed outlier: 7.116A pdb=" N LEU u 226 " --> pdb=" O ASP u 38 " (cutoff:3.500A) Processing sheet with id=AE6, first strand: chain 'P' and resid 140 through 141 removed outlier: 6.761A pdb=" N LEU P 140 " --> pdb=" O SER P 264 " (cutoff:3.500A) removed outlier: 8.360A pdb=" N ILE P 204 " --> pdb=" O TYR P 169 " (cutoff:3.500A) removed outlier: 6.642A pdb=" N VAL P 171 " --> pdb=" O ILE P 204 " (cutoff:3.500A) Processing sheet with id=AE7, first strand: chain 'Q' and resid 38 through 39 removed outlier: 6.476A pdb=" N ASP Q 38 " --> pdb=" O LEU Q 224 " (cutoff:3.500A) removed outlier: 7.115A pdb=" N LEU Q 226 " --> pdb=" O ASP Q 38 " (cutoff:3.500A) removed outlier: 10.350A pdb=" N LEU Q 226 " --> pdb=" O LEU Q 253 " (cutoff:3.500A) removed outlier: 11.349A pdb=" N LEU Q 253 " --> pdb=" O LEU Q 226 " (cutoff:3.500A) removed outlier: 9.647A pdb=" N THR Q 228 " --> pdb=" O THR Q 251 " (cutoff:3.500A) removed outlier: 8.077A pdb=" N THR Q 251 " --> pdb=" O THR Q 228 " (cutoff:3.500A) removed outlier: 7.236A pdb=" N VAL Q 230 " --> pdb=" O THR Q 249 " (cutoff:3.500A) removed outlier: 8.463A pdb=" N THR Q 249 " --> pdb=" O VAL Q 230 " (cutoff:3.500A) removed outlier: 5.599A pdb=" N ILE Q 232 " --> pdb=" O GLN Q 247 " (cutoff:3.500A) removed outlier: 7.078A pdb=" N GLN Q 247 " --> pdb=" O ILE Q 232 " (cutoff:3.500A) removed outlier: 5.502A pdb=" N TYR Q 234 " --> pdb=" O TYR Q 245 " (cutoff:3.500A) removed outlier: 6.349A pdb=" N TYR Q 245 " --> pdb=" O TYR Q 234 " (cutoff:3.500A) removed outlier: 7.106A pdb=" N ALA q 67 " --> pdb=" O ILE q 56 " (cutoff:3.500A) removed outlier: 6.705A pdb=" N ILE q 56 " --> pdb=" O ALA q 67 " (cutoff:3.500A) removed outlier: 6.568A pdb=" N LEU q 69 " --> pdb=" O ARG q 54 " (cutoff:3.500A) removed outlier: 6.618A pdb=" N ARG q 54 " --> pdb=" O LEU q 69 " (cutoff:3.500A) removed outlier: 7.199A pdb=" N ALA q 71 " --> pdb=" O THR q 52 " (cutoff:3.500A) Processing sheet with id=AE8, first strand: chain 'Q' and resid 49 through 57 removed outlier: 7.199A pdb=" N ALA Q 71 " --> pdb=" O THR Q 52 " (cutoff:3.500A) removed outlier: 6.617A pdb=" N ARG Q 54 " --> pdb=" O LEU Q 69 " (cutoff:3.500A) removed outlier: 6.569A pdb=" N LEU Q 69 " --> pdb=" O ARG Q 54 " (cutoff:3.500A) removed outlier: 6.704A pdb=" N ILE Q 56 " --> pdb=" O ALA Q 67 " (cutoff:3.500A) removed outlier: 7.106A pdb=" N ALA Q 67 " --> pdb=" O ILE Q 56 " (cutoff:3.500A) removed outlier: 6.349A pdb=" N TYR q 245 " --> pdb=" O TYR q 234 " (cutoff:3.500A) removed outlier: 5.502A pdb=" N TYR q 234 " --> pdb=" O TYR q 245 " (cutoff:3.500A) removed outlier: 7.078A pdb=" N GLN q 247 " --> pdb=" O ILE q 232 " (cutoff:3.500A) removed outlier: 5.599A pdb=" N ILE q 232 " --> pdb=" O GLN q 247 " (cutoff:3.500A) removed outlier: 8.464A pdb=" N THR q 249 " --> pdb=" O VAL q 230 " (cutoff:3.500A) removed outlier: 7.237A pdb=" N VAL q 230 " --> pdb=" O THR q 249 " (cutoff:3.500A) removed outlier: 8.077A pdb=" N THR q 251 " --> pdb=" O THR q 228 " (cutoff:3.500A) removed outlier: 9.647A pdb=" N THR q 228 " --> pdb=" O THR q 251 " (cutoff:3.500A) removed outlier: 11.348A pdb=" N LEU q 253 " --> pdb=" O LEU q 226 " (cutoff:3.500A) removed outlier: 10.351A pdb=" N LEU q 226 " --> pdb=" O LEU q 253 " (cutoff:3.500A) removed outlier: 6.477A pdb=" N ASP q 38 " --> pdb=" O LEU q 224 " (cutoff:3.500A) removed outlier: 7.115A pdb=" N LEU q 226 " --> pdb=" O ASP q 38 " (cutoff:3.500A) Processing sheet with id=AE9, first strand: chain 'Q' and resid 140 through 141 removed outlier: 6.761A pdb=" N LEU Q 140 " --> pdb=" O SER Q 264 " (cutoff:3.500A) removed outlier: 8.360A pdb=" N ILE Q 204 " --> pdb=" O TYR Q 169 " (cutoff:3.500A) removed outlier: 6.642A pdb=" N VAL Q 171 " --> pdb=" O ILE Q 204 " (cutoff:3.500A) Processing sheet with id=AF1, first strand: chain 'R' and resid 38 through 39 removed outlier: 6.476A pdb=" N ASP R 38 " --> pdb=" O LEU R 224 " (cutoff:3.500A) removed outlier: 7.115A pdb=" N LEU R 226 " --> pdb=" O ASP R 38 " (cutoff:3.500A) removed outlier: 10.350A pdb=" N LEU R 226 " --> pdb=" O LEU R 253 " (cutoff:3.500A) removed outlier: 11.349A pdb=" N LEU R 253 " --> pdb=" O LEU R 226 " (cutoff:3.500A) removed outlier: 9.647A pdb=" N THR R 228 " --> pdb=" O THR R 251 " (cutoff:3.500A) removed outlier: 8.078A pdb=" N THR R 251 " --> pdb=" O THR R 228 " (cutoff:3.500A) removed outlier: 7.236A pdb=" N VAL R 230 " --> pdb=" O THR R 249 " (cutoff:3.500A) removed outlier: 8.463A pdb=" N THR R 249 " --> pdb=" O VAL R 230 " (cutoff:3.500A) removed outlier: 5.600A pdb=" N ILE R 232 " --> pdb=" O GLN R 247 " (cutoff:3.500A) removed outlier: 7.079A pdb=" N GLN R 247 " --> pdb=" O ILE R 232 " (cutoff:3.500A) removed outlier: 5.502A pdb=" N TYR R 234 " --> pdb=" O TYR R 245 " (cutoff:3.500A) removed outlier: 6.350A pdb=" N TYR R 245 " --> pdb=" O TYR R 234 " (cutoff:3.500A) removed outlier: 7.107A pdb=" N ALA k 67 " --> pdb=" O ILE k 56 " (cutoff:3.500A) removed outlier: 6.705A pdb=" N ILE k 56 " --> pdb=" O ALA k 67 " (cutoff:3.500A) removed outlier: 6.569A pdb=" N LEU k 69 " --> pdb=" O ARG k 54 " (cutoff:3.500A) removed outlier: 6.617A pdb=" N ARG k 54 " --> pdb=" O LEU k 69 " (cutoff:3.500A) removed outlier: 7.199A pdb=" N ALA k 71 " --> pdb=" O THR k 52 " (cutoff:3.500A) Processing sheet with id=AF2, first strand: chain 'R' and resid 49 through 57 removed outlier: 7.200A pdb=" N ALA R 71 " --> pdb=" O THR R 52 " (cutoff:3.500A) removed outlier: 6.618A pdb=" N ARG R 54 " --> pdb=" O LEU R 69 " (cutoff:3.500A) removed outlier: 6.569A pdb=" N LEU R 69 " --> pdb=" O ARG R 54 " (cutoff:3.500A) removed outlier: 6.705A pdb=" N ILE R 56 " --> pdb=" O ALA R 67 " (cutoff:3.500A) removed outlier: 7.106A pdb=" N ALA R 67 " --> pdb=" O ILE R 56 " (cutoff:3.500A) removed outlier: 6.350A pdb=" N TYR k 245 " --> pdb=" O TYR k 234 " (cutoff:3.500A) removed outlier: 5.501A pdb=" N TYR k 234 " --> pdb=" O TYR k 245 " (cutoff:3.500A) removed outlier: 7.078A pdb=" N GLN k 247 " --> pdb=" O ILE k 232 " (cutoff:3.500A) removed outlier: 5.599A pdb=" N ILE k 232 " --> pdb=" O GLN k 247 " (cutoff:3.500A) removed outlier: 8.463A pdb=" N THR k 249 " --> pdb=" O VAL k 230 " (cutoff:3.500A) removed outlier: 7.237A pdb=" N VAL k 230 " --> pdb=" O THR k 249 " (cutoff:3.500A) removed outlier: 8.078A pdb=" N THR k 251 " --> pdb=" O THR k 228 " (cutoff:3.500A) removed outlier: 9.647A pdb=" N THR k 228 " --> pdb=" O THR k 251 " (cutoff:3.500A) removed outlier: 11.348A pdb=" N LEU k 253 " --> pdb=" O LEU k 226 " (cutoff:3.500A) removed outlier: 10.351A pdb=" N LEU k 226 " --> pdb=" O LEU k 253 " (cutoff:3.500A) removed outlier: 6.476A pdb=" N ASP k 38 " --> pdb=" O LEU k 224 " (cutoff:3.500A) removed outlier: 7.116A pdb=" N LEU k 226 " --> pdb=" O ASP k 38 " (cutoff:3.500A) Processing sheet with id=AF3, first strand: chain 'R' and resid 140 through 141 removed outlier: 6.761A pdb=" N LEU R 140 " --> pdb=" O SER R 264 " (cutoff:3.500A) removed outlier: 8.360A pdb=" N ILE R 204 " --> pdb=" O TYR R 169 " (cutoff:3.500A) removed outlier: 6.642A pdb=" N VAL R 171 " --> pdb=" O ILE R 204 " (cutoff:3.500A) Processing sheet with id=AF4, first strand: chain 'S' and resid 140 through 141 removed outlier: 6.761A pdb=" N LEU S 140 " --> pdb=" O SER S 264 " (cutoff:3.500A) removed outlier: 8.360A pdb=" N ILE S 204 " --> pdb=" O TYR S 169 " (cutoff:3.500A) removed outlier: 6.642A pdb=" N VAL S 171 " --> pdb=" O ILE S 204 " (cutoff:3.500A) Processing sheet with id=AF5, first strand: chain 'T' and resid 140 through 141 removed outlier: 6.760A pdb=" N LEU T 140 " --> pdb=" O SER T 264 " (cutoff:3.500A) removed outlier: 8.359A pdb=" N ILE T 204 " --> pdb=" O TYR T 169 " (cutoff:3.500A) removed outlier: 6.642A pdb=" N VAL T 171 " --> pdb=" O ILE T 204 " (cutoff:3.500A) Processing sheet with id=AF6, first strand: chain 'U' and resid 140 through 141 removed outlier: 6.760A pdb=" N LEU U 140 " --> pdb=" O SER U 264 " (cutoff:3.500A) removed outlier: 8.359A pdb=" N ILE U 204 " --> pdb=" O TYR U 169 " (cutoff:3.500A) removed outlier: 6.643A pdb=" N VAL U 171 " --> pdb=" O ILE U 204 " (cutoff:3.500A) Processing sheet with id=AF7, first strand: chain 'V' and resid 140 through 141 removed outlier: 6.761A pdb=" N LEU V 140 " --> pdb=" O SER V 264 " (cutoff:3.500A) removed outlier: 8.359A pdb=" N ILE V 204 " --> pdb=" O TYR V 169 " (cutoff:3.500A) removed outlier: 6.641A pdb=" N VAL V 171 " --> pdb=" O ILE V 204 " (cutoff:3.500A) Processing sheet with id=AF8, first strand: chain 'W' and resid 38 through 39 removed outlier: 6.477A pdb=" N ASP W 38 " --> pdb=" O LEU W 224 " (cutoff:3.500A) removed outlier: 7.116A pdb=" N LEU W 226 " --> pdb=" O ASP W 38 " (cutoff:3.500A) removed outlier: 10.350A pdb=" N LEU W 226 " --> pdb=" O LEU W 253 " (cutoff:3.500A) removed outlier: 11.348A pdb=" N LEU W 253 " --> pdb=" O LEU W 226 " (cutoff:3.500A) removed outlier: 9.647A pdb=" N THR W 228 " --> pdb=" O THR W 251 " (cutoff:3.500A) removed outlier: 8.078A pdb=" N THR W 251 " --> pdb=" O THR W 228 " (cutoff:3.500A) removed outlier: 7.236A pdb=" N VAL W 230 " --> pdb=" O THR W 249 " (cutoff:3.500A) removed outlier: 8.463A pdb=" N THR W 249 " --> pdb=" O VAL W 230 " (cutoff:3.500A) removed outlier: 5.599A pdb=" N ILE W 232 " --> pdb=" O GLN W 247 " (cutoff:3.500A) removed outlier: 7.078A pdb=" N GLN W 247 " --> pdb=" O ILE W 232 " (cutoff:3.500A) removed outlier: 5.502A pdb=" N TYR W 234 " --> pdb=" O TYR W 245 " (cutoff:3.500A) removed outlier: 6.350A pdb=" N TYR W 245 " --> pdb=" O TYR W 234 " (cutoff:3.500A) removed outlier: 7.106A pdb=" N ALA v 67 " --> pdb=" O ILE v 56 " (cutoff:3.500A) removed outlier: 6.704A pdb=" N ILE v 56 " --> pdb=" O ALA v 67 " (cutoff:3.500A) removed outlier: 6.569A pdb=" N LEU v 69 " --> pdb=" O ARG v 54 " (cutoff:3.500A) removed outlier: 6.618A pdb=" N ARG v 54 " --> pdb=" O LEU v 69 " (cutoff:3.500A) removed outlier: 7.200A pdb=" N ALA v 71 " --> pdb=" O THR v 52 " (cutoff:3.500A) Processing sheet with id=AF9, first strand: chain 'W' and resid 49 through 57 removed outlier: 7.199A pdb=" N ALA W 71 " --> pdb=" O THR W 52 " (cutoff:3.500A) removed outlier: 6.617A pdb=" N ARG W 54 " --> pdb=" O LEU W 69 " (cutoff:3.500A) removed outlier: 6.569A pdb=" N LEU W 69 " --> pdb=" O ARG W 54 " (cutoff:3.500A) removed outlier: 6.705A pdb=" N ILE W 56 " --> pdb=" O ALA W 67 " (cutoff:3.500A) removed outlier: 7.106A pdb=" N ALA W 67 " --> pdb=" O ILE W 56 " (cutoff:3.500A) removed outlier: 6.349A pdb=" N TYR v 245 " --> pdb=" O TYR v 234 " (cutoff:3.500A) removed outlier: 5.501A pdb=" N TYR v 234 " --> pdb=" O TYR v 245 " (cutoff:3.500A) removed outlier: 7.078A pdb=" N GLN v 247 " --> pdb=" O ILE v 232 " (cutoff:3.500A) removed outlier: 5.599A pdb=" N ILE v 232 " --> pdb=" O GLN v 247 " (cutoff:3.500A) removed outlier: 8.464A pdb=" N THR v 249 " --> pdb=" O VAL v 230 " (cutoff:3.500A) removed outlier: 7.236A pdb=" N VAL v 230 " --> pdb=" O THR v 249 " (cutoff:3.500A) removed outlier: 8.078A pdb=" N THR v 251 " --> pdb=" O THR v 228 " (cutoff:3.500A) removed outlier: 9.647A pdb=" N THR v 228 " --> pdb=" O THR v 251 " (cutoff:3.500A) removed outlier: 11.349A pdb=" N LEU v 253 " --> pdb=" O LEU v 226 " (cutoff:3.500A) removed outlier: 10.351A pdb=" N LEU v 226 " --> pdb=" O LEU v 253 " (cutoff:3.500A) removed outlier: 6.477A pdb=" N ASP v 38 " --> pdb=" O LEU v 224 " (cutoff:3.500A) removed outlier: 7.116A pdb=" N LEU v 226 " --> pdb=" O ASP v 38 " (cutoff:3.500A) Processing sheet with id=AG1, first strand: chain 'W' and resid 140 through 141 removed outlier: 6.761A pdb=" N LEU W 140 " --> pdb=" O SER W 264 " (cutoff:3.500A) removed outlier: 8.360A pdb=" N ILE W 204 " --> pdb=" O TYR W 169 " (cutoff:3.500A) removed outlier: 6.642A pdb=" N VAL W 171 " --> pdb=" O ILE W 204 " (cutoff:3.500A) Processing sheet with id=AG2, first strand: chain 'X' and resid 38 through 39 removed outlier: 6.476A pdb=" N ASP X 38 " --> pdb=" O LEU X 224 " (cutoff:3.500A) removed outlier: 7.115A pdb=" N LEU X 226 " --> pdb=" O ASP X 38 " (cutoff:3.500A) removed outlier: 10.350A pdb=" N LEU X 226 " --> pdb=" O LEU X 253 " (cutoff:3.500A) removed outlier: 11.349A pdb=" N LEU X 253 " --> pdb=" O LEU X 226 " (cutoff:3.500A) removed outlier: 9.647A pdb=" N THR X 228 " --> pdb=" O THR X 251 " (cutoff:3.500A) removed outlier: 8.078A pdb=" N THR X 251 " --> pdb=" O THR X 228 " (cutoff:3.500A) removed outlier: 7.237A pdb=" N VAL X 230 " --> pdb=" O THR X 249 " (cutoff:3.500A) removed outlier: 8.463A pdb=" N THR X 249 " --> pdb=" O VAL X 230 " (cutoff:3.500A) removed outlier: 5.600A pdb=" N ILE X 232 " --> pdb=" O GLN X 247 " (cutoff:3.500A) removed outlier: 7.078A pdb=" N GLN X 247 " --> pdb=" O ILE X 232 " (cutoff:3.500A) removed outlier: 5.502A pdb=" N TYR X 234 " --> pdb=" O TYR X 245 " (cutoff:3.500A) removed outlier: 6.349A pdb=" N TYR X 245 " --> pdb=" O TYR X 234 " (cutoff:3.500A) removed outlier: 7.106A pdb=" N ALA 6 67 " --> pdb=" O ILE 6 56 " (cutoff:3.500A) removed outlier: 6.704A pdb=" N ILE 6 56 " --> pdb=" O ALA 6 67 " (cutoff:3.500A) removed outlier: 6.569A pdb=" N LEU 6 69 " --> pdb=" O ARG 6 54 " (cutoff:3.500A) removed outlier: 6.618A pdb=" N ARG 6 54 " --> pdb=" O LEU 6 69 " (cutoff:3.500A) removed outlier: 7.200A pdb=" N ALA 6 71 " --> pdb=" O THR 6 52 " (cutoff:3.500A) Processing sheet with id=AG3, first strand: chain 'X' and resid 49 through 57 removed outlier: 7.199A pdb=" N ALA X 71 " --> pdb=" O THR X 52 " (cutoff:3.500A) removed outlier: 6.618A pdb=" N ARG X 54 " --> pdb=" O LEU X 69 " (cutoff:3.500A) removed outlier: 6.569A pdb=" N LEU X 69 " --> pdb=" O ARG X 54 " (cutoff:3.500A) removed outlier: 6.704A pdb=" N ILE X 56 " --> pdb=" O ALA X 67 " (cutoff:3.500A) removed outlier: 7.107A pdb=" N ALA X 67 " --> pdb=" O ILE X 56 " (cutoff:3.500A) removed outlier: 6.349A pdb=" N TYR 6 245 " --> pdb=" O TYR 6 234 " (cutoff:3.500A) removed outlier: 5.503A pdb=" N TYR 6 234 " --> pdb=" O TYR 6 245 " (cutoff:3.500A) removed outlier: 7.078A pdb=" N GLN 6 247 " --> pdb=" O ILE 6 232 " (cutoff:3.500A) removed outlier: 5.599A pdb=" N ILE 6 232 " --> pdb=" O GLN 6 247 " (cutoff:3.500A) removed outlier: 8.463A pdb=" N THR 6 249 " --> pdb=" O VAL 6 230 " (cutoff:3.500A) removed outlier: 7.236A pdb=" N VAL 6 230 " --> pdb=" O THR 6 249 " (cutoff:3.500A) removed outlier: 8.079A pdb=" N THR 6 251 " --> pdb=" O THR 6 228 " (cutoff:3.500A) removed outlier: 9.647A pdb=" N THR 6 228 " --> pdb=" O THR 6 251 " (cutoff:3.500A) removed outlier: 11.349A pdb=" N LEU 6 253 " --> pdb=" O LEU 6 226 " (cutoff:3.500A) removed outlier: 10.350A pdb=" N LEU 6 226 " --> pdb=" O LEU 6 253 " (cutoff:3.500A) removed outlier: 6.475A pdb=" N ASP 6 38 " --> pdb=" O LEU 6 224 " (cutoff:3.500A) removed outlier: 7.116A pdb=" N LEU 6 226 " --> pdb=" O ASP 6 38 " (cutoff:3.500A) Processing sheet with id=AG4, first strand: chain 'X' and resid 140 through 141 removed outlier: 6.761A pdb=" N LEU X 140 " --> pdb=" O SER X 264 " (cutoff:3.500A) removed outlier: 8.359A pdb=" N ILE X 204 " --> pdb=" O TYR X 169 " (cutoff:3.500A) removed outlier: 6.642A pdb=" N VAL X 171 " --> pdb=" O ILE X 204 " (cutoff:3.500A) Processing sheet with id=AG5, first strand: chain 'Y' and resid 38 through 39 removed outlier: 6.476A pdb=" N ASP Y 38 " --> pdb=" O LEU Y 224 " (cutoff:3.500A) removed outlier: 7.115A pdb=" N LEU Y 226 " --> pdb=" O ASP Y 38 " (cutoff:3.500A) removed outlier: 10.350A pdb=" N LEU Y 226 " --> pdb=" O LEU Y 253 " (cutoff:3.500A) removed outlier: 11.348A pdb=" N LEU Y 253 " --> pdb=" O LEU Y 226 " (cutoff:3.500A) removed outlier: 9.647A pdb=" N THR Y 228 " --> pdb=" O THR Y 251 " (cutoff:3.500A) removed outlier: 8.078A pdb=" N THR Y 251 " --> pdb=" O THR Y 228 " (cutoff:3.500A) removed outlier: 7.236A pdb=" N VAL Y 230 " --> pdb=" O THR Y 249 " (cutoff:3.500A) removed outlier: 8.463A pdb=" N THR Y 249 " --> pdb=" O VAL Y 230 " (cutoff:3.500A) removed outlier: 5.600A pdb=" N ILE Y 232 " --> pdb=" O GLN Y 247 " (cutoff:3.500A) removed outlier: 7.078A pdb=" N GLN Y 247 " --> pdb=" O ILE Y 232 " (cutoff:3.500A) removed outlier: 5.502A pdb=" N TYR Y 234 " --> pdb=" O TYR Y 245 " (cutoff:3.500A) removed outlier: 6.349A pdb=" N TYR Y 245 " --> pdb=" O TYR Y 234 " (cutoff:3.500A) removed outlier: 7.106A pdb=" N ALA d 67 " --> pdb=" O ILE d 56 " (cutoff:3.500A) removed outlier: 6.704A pdb=" N ILE d 56 " --> pdb=" O ALA d 67 " (cutoff:3.500A) removed outlier: 6.569A pdb=" N LEU d 69 " --> pdb=" O ARG d 54 " (cutoff:3.500A) removed outlier: 6.618A pdb=" N ARG d 54 " --> pdb=" O LEU d 69 " (cutoff:3.500A) removed outlier: 7.198A pdb=" N ALA d 71 " --> pdb=" O THR d 52 " (cutoff:3.500A) Processing sheet with id=AG6, first strand: chain 'Y' and resid 49 through 57 removed outlier: 7.199A pdb=" N ALA Y 71 " --> pdb=" O THR Y 52 " (cutoff:3.500A) removed outlier: 6.618A pdb=" N ARG Y 54 " --> pdb=" O LEU Y 69 " (cutoff:3.500A) removed outlier: 6.570A pdb=" N LEU Y 69 " --> pdb=" O ARG Y 54 " (cutoff:3.500A) removed outlier: 6.705A pdb=" N ILE Y 56 " --> pdb=" O ALA Y 67 " (cutoff:3.500A) removed outlier: 7.106A pdb=" N ALA Y 67 " --> pdb=" O ILE Y 56 " (cutoff:3.500A) removed outlier: 6.349A pdb=" N TYR d 245 " --> pdb=" O TYR d 234 " (cutoff:3.500A) removed outlier: 5.502A pdb=" N TYR d 234 " --> pdb=" O TYR d 245 " (cutoff:3.500A) removed outlier: 7.079A pdb=" N GLN d 247 " --> pdb=" O ILE d 232 " (cutoff:3.500A) removed outlier: 5.600A pdb=" N ILE d 232 " --> pdb=" O GLN d 247 " (cutoff:3.500A) removed outlier: 8.464A pdb=" N THR d 249 " --> pdb=" O VAL d 230 " (cutoff:3.500A) removed outlier: 7.237A pdb=" N VAL d 230 " --> pdb=" O THR d 249 " (cutoff:3.500A) removed outlier: 8.078A pdb=" N THR d 251 " --> pdb=" O THR d 228 " (cutoff:3.500A) removed outlier: 9.646A pdb=" N THR d 228 " --> pdb=" O THR d 251 " (cutoff:3.500A) removed outlier: 11.348A pdb=" N LEU d 253 " --> pdb=" O LEU d 226 " (cutoff:3.500A) removed outlier: 10.350A pdb=" N LEU d 226 " --> pdb=" O LEU d 253 " (cutoff:3.500A) removed outlier: 6.476A pdb=" N ASP d 38 " --> pdb=" O LEU d 224 " (cutoff:3.500A) removed outlier: 7.115A pdb=" N LEU d 226 " --> pdb=" O ASP d 38 " (cutoff:3.500A) Processing sheet with id=AG7, first strand: chain 'Y' and resid 140 through 141 removed outlier: 6.761A pdb=" N LEU Y 140 " --> pdb=" O SER Y 264 " (cutoff:3.500A) removed outlier: 8.360A pdb=" N ILE Y 204 " --> pdb=" O TYR Y 169 " (cutoff:3.500A) removed outlier: 6.643A pdb=" N VAL Y 171 " --> pdb=" O ILE Y 204 " (cutoff:3.500A) Processing sheet with id=AG8, first strand: chain 'Z' and resid 38 through 39 removed outlier: 6.476A pdb=" N ASP Z 38 " --> pdb=" O LEU Z 224 " (cutoff:3.500A) removed outlier: 7.115A pdb=" N LEU Z 226 " --> pdb=" O ASP Z 38 " (cutoff:3.500A) removed outlier: 10.350A pdb=" N LEU Z 226 " --> pdb=" O LEU Z 253 " (cutoff:3.500A) removed outlier: 11.349A pdb=" N LEU Z 253 " --> pdb=" O LEU Z 226 " (cutoff:3.500A) removed outlier: 9.646A pdb=" N THR Z 228 " --> pdb=" O THR Z 251 " (cutoff:3.500A) removed outlier: 8.078A pdb=" N THR Z 251 " --> pdb=" O THR Z 228 " (cutoff:3.500A) removed outlier: 7.236A pdb=" N VAL Z 230 " --> pdb=" O THR Z 249 " (cutoff:3.500A) removed outlier: 8.464A pdb=" N THR Z 249 " --> pdb=" O VAL Z 230 " (cutoff:3.500A) removed outlier: 5.599A pdb=" N ILE Z 232 " --> pdb=" O GLN Z 247 " (cutoff:3.500A) removed outlier: 7.078A pdb=" N GLN Z 247 " --> pdb=" O ILE Z 232 " (cutoff:3.500A) removed outlier: 5.502A pdb=" N TYR Z 234 " --> pdb=" O TYR Z 245 " (cutoff:3.500A) removed outlier: 6.349A pdb=" N TYR Z 245 " --> pdb=" O TYR Z 234 " (cutoff:3.500A) removed outlier: 7.106A pdb=" N ALA 3 67 " --> pdb=" O ILE 3 56 " (cutoff:3.500A) removed outlier: 6.704A pdb=" N ILE 3 56 " --> pdb=" O ALA 3 67 " (cutoff:3.500A) removed outlier: 6.569A pdb=" N LEU 3 69 " --> pdb=" O ARG 3 54 " (cutoff:3.500A) removed outlier: 6.617A pdb=" N ARG 3 54 " --> pdb=" O LEU 3 69 " (cutoff:3.500A) removed outlier: 7.199A pdb=" N ALA 3 71 " --> pdb=" O THR 3 52 " (cutoff:3.500A) Processing sheet with id=AG9, first strand: chain 'Z' and resid 49 through 57 removed outlier: 7.199A pdb=" N ALA Z 71 " --> pdb=" O THR Z 52 " (cutoff:3.500A) removed outlier: 6.618A pdb=" N ARG Z 54 " --> pdb=" O LEU Z 69 " (cutoff:3.500A) removed outlier: 6.568A pdb=" N LEU Z 69 " --> pdb=" O ARG Z 54 " (cutoff:3.500A) removed outlier: 6.705A pdb=" N ILE Z 56 " --> pdb=" O ALA Z 67 " (cutoff:3.500A) removed outlier: 7.106A pdb=" N ALA Z 67 " --> pdb=" O ILE Z 56 " (cutoff:3.500A) removed outlier: 6.348A pdb=" N TYR 3 245 " --> pdb=" O TYR 3 234 " (cutoff:3.500A) removed outlier: 5.502A pdb=" N TYR 3 234 " --> pdb=" O TYR 3 245 " (cutoff:3.500A) removed outlier: 7.079A pdb=" N GLN 3 247 " --> pdb=" O ILE 3 232 " (cutoff:3.500A) removed outlier: 5.600A pdb=" N ILE 3 232 " --> pdb=" O GLN 3 247 " (cutoff:3.500A) removed outlier: 8.464A pdb=" N THR 3 249 " --> pdb=" O VAL 3 230 " (cutoff:3.500A) removed outlier: 7.236A pdb=" N VAL 3 230 " --> pdb=" O THR 3 249 " (cutoff:3.500A) removed outlier: 8.078A pdb=" N THR 3 251 " --> pdb=" O THR 3 228 " (cutoff:3.500A) removed outlier: 9.647A pdb=" N THR 3 228 " --> pdb=" O THR 3 251 " (cutoff:3.500A) removed outlier: 11.348A pdb=" N LEU 3 253 " --> pdb=" O LEU 3 226 " (cutoff:3.500A) removed outlier: 10.351A pdb=" N LEU 3 226 " --> pdb=" O LEU 3 253 " (cutoff:3.500A) removed outlier: 6.475A pdb=" N ASP 3 38 " --> pdb=" O LEU 3 224 " (cutoff:3.500A) removed outlier: 7.115A pdb=" N LEU 3 226 " --> pdb=" O ASP 3 38 " (cutoff:3.500A) Processing sheet with id=AH1, first strand: chain 'Z' and resid 140 through 141 removed outlier: 6.760A pdb=" N LEU Z 140 " --> pdb=" O SER Z 264 " (cutoff:3.500A) removed outlier: 8.361A pdb=" N ILE Z 204 " --> pdb=" O TYR Z 169 " (cutoff:3.500A) removed outlier: 6.643A pdb=" N VAL Z 171 " --> pdb=" O ILE Z 204 " (cutoff:3.500A) Processing sheet with id=AH2, first strand: chain 'a' and resid 38 through 39 removed outlier: 6.476A pdb=" N ASP a 38 " --> pdb=" O LEU a 224 " (cutoff:3.500A) removed outlier: 7.115A pdb=" N LEU a 226 " --> pdb=" O ASP a 38 " (cutoff:3.500A) removed outlier: 10.350A pdb=" N LEU a 226 " --> pdb=" O LEU a 253 " (cutoff:3.500A) removed outlier: 11.348A pdb=" N LEU a 253 " --> pdb=" O LEU a 226 " (cutoff:3.500A) removed outlier: 9.646A pdb=" N THR a 228 " --> pdb=" O THR a 251 " (cutoff:3.500A) removed outlier: 8.078A pdb=" N THR a 251 " --> pdb=" O THR a 228 " (cutoff:3.500A) removed outlier: 7.237A pdb=" N VAL a 230 " --> pdb=" O THR a 249 " (cutoff:3.500A) removed outlier: 8.464A pdb=" N THR a 249 " --> pdb=" O VAL a 230 " (cutoff:3.500A) removed outlier: 5.600A pdb=" N ILE a 232 " --> pdb=" O GLN a 247 " (cutoff:3.500A) removed outlier: 7.078A pdb=" N GLN a 247 " --> pdb=" O ILE a 232 " (cutoff:3.500A) removed outlier: 5.502A pdb=" N TYR a 234 " --> pdb=" O TYR a 245 " (cutoff:3.500A) removed outlier: 6.349A pdb=" N TYR a 245 " --> pdb=" O TYR a 234 " (cutoff:3.500A) removed outlier: 7.106A pdb=" N ALA t 67 " --> pdb=" O ILE t 56 " (cutoff:3.500A) removed outlier: 6.705A pdb=" N ILE t 56 " --> pdb=" O ALA t 67 " (cutoff:3.500A) removed outlier: 6.569A pdb=" N LEU t 69 " --> pdb=" O ARG t 54 " (cutoff:3.500A) removed outlier: 6.617A pdb=" N ARG t 54 " --> pdb=" O LEU t 69 " (cutoff:3.500A) removed outlier: 7.199A pdb=" N ALA t 71 " --> pdb=" O THR t 52 " (cutoff:3.500A) Processing sheet with id=AH3, first strand: chain 'a' and resid 49 through 57 removed outlier: 7.199A pdb=" N ALA a 71 " --> pdb=" O THR a 52 " (cutoff:3.500A) removed outlier: 6.617A pdb=" N ARG a 54 " --> pdb=" O LEU a 69 " (cutoff:3.500A) removed outlier: 6.569A pdb=" N LEU a 69 " --> pdb=" O ARG a 54 " (cutoff:3.500A) removed outlier: 6.704A pdb=" N ILE a 56 " --> pdb=" O ALA a 67 " (cutoff:3.500A) removed outlier: 7.106A pdb=" N ALA a 67 " --> pdb=" O ILE a 56 " (cutoff:3.500A) removed outlier: 6.349A pdb=" N TYR t 245 " --> pdb=" O TYR t 234 " (cutoff:3.500A) removed outlier: 5.502A pdb=" N TYR t 234 " --> pdb=" O TYR t 245 " (cutoff:3.500A) removed outlier: 7.078A pdb=" N GLN t 247 " --> pdb=" O ILE t 232 " (cutoff:3.500A) removed outlier: 5.600A pdb=" N ILE t 232 " --> pdb=" O GLN t 247 " (cutoff:3.500A) removed outlier: 8.464A pdb=" N THR t 249 " --> pdb=" O VAL t 230 " (cutoff:3.500A) removed outlier: 7.236A pdb=" N VAL t 230 " --> pdb=" O THR t 249 " (cutoff:3.500A) removed outlier: 8.078A pdb=" N THR t 251 " --> pdb=" O THR t 228 " (cutoff:3.500A) removed outlier: 9.647A pdb=" N THR t 228 " --> pdb=" O THR t 251 " (cutoff:3.500A) removed outlier: 11.348A pdb=" N LEU t 253 " --> pdb=" O LEU t 226 " (cutoff:3.500A) removed outlier: 10.350A pdb=" N LEU t 226 " --> pdb=" O LEU t 253 " (cutoff:3.500A) removed outlier: 6.476A pdb=" N ASP t 38 " --> pdb=" O LEU t 224 " (cutoff:3.500A) removed outlier: 7.116A pdb=" N LEU t 226 " --> pdb=" O ASP t 38 " (cutoff:3.500A) Processing sheet with id=AH4, first strand: chain 'a' and resid 140 through 141 removed outlier: 6.761A pdb=" N LEU a 140 " --> pdb=" O SER a 264 " (cutoff:3.500A) removed outlier: 8.360A pdb=" N ILE a 204 " --> pdb=" O TYR a 169 " (cutoff:3.500A) removed outlier: 6.642A pdb=" N VAL a 171 " --> pdb=" O ILE a 204 " (cutoff:3.500A) Processing sheet with id=AH5, first strand: chain 'b' and resid 38 through 39 removed outlier: 6.476A pdb=" N ASP b 38 " --> pdb=" O LEU b 224 " (cutoff:3.500A) removed outlier: 7.115A pdb=" N LEU b 226 " --> pdb=" O ASP b 38 " (cutoff:3.500A) removed outlier: 10.350A pdb=" N LEU b 226 " --> pdb=" O LEU b 253 " (cutoff:3.500A) removed outlier: 11.348A pdb=" N LEU b 253 " --> pdb=" O LEU b 226 " (cutoff:3.500A) removed outlier: 9.647A pdb=" N THR b 228 " --> pdb=" O THR b 251 " (cutoff:3.500A) removed outlier: 8.078A pdb=" N THR b 251 " --> pdb=" O THR b 228 " (cutoff:3.500A) removed outlier: 7.236A pdb=" N VAL b 230 " --> pdb=" O THR b 249 " (cutoff:3.500A) removed outlier: 8.464A pdb=" N THR b 249 " --> pdb=" O VAL b 230 " (cutoff:3.500A) removed outlier: 5.600A pdb=" N ILE b 232 " --> pdb=" O GLN b 247 " (cutoff:3.500A) removed outlier: 7.080A pdb=" N GLN b 247 " --> pdb=" O ILE b 232 " (cutoff:3.500A) removed outlier: 5.502A pdb=" N TYR b 234 " --> pdb=" O TYR b 245 " (cutoff:3.500A) removed outlier: 6.348A pdb=" N TYR b 245 " --> pdb=" O TYR b 234 " (cutoff:3.500A) removed outlier: 7.106A pdb=" N ALA o 67 " --> pdb=" O ILE o 56 " (cutoff:3.500A) removed outlier: 6.704A pdb=" N ILE o 56 " --> pdb=" O ALA o 67 " (cutoff:3.500A) removed outlier: 6.569A pdb=" N LEU o 69 " --> pdb=" O ARG o 54 " (cutoff:3.500A) removed outlier: 6.617A pdb=" N ARG o 54 " --> pdb=" O LEU o 69 " (cutoff:3.500A) removed outlier: 7.200A pdb=" N ALA o 71 " --> pdb=" O THR o 52 " (cutoff:3.500A) Processing sheet with id=AH6, first strand: chain 'b' and resid 49 through 57 removed outlier: 7.199A pdb=" N ALA b 71 " --> pdb=" O THR b 52 " (cutoff:3.500A) removed outlier: 6.617A pdb=" N ARG b 54 " --> pdb=" O LEU b 69 " (cutoff:3.500A) removed outlier: 6.569A pdb=" N LEU b 69 " --> pdb=" O ARG b 54 " (cutoff:3.500A) removed outlier: 6.704A pdb=" N ILE b 56 " --> pdb=" O ALA b 67 " (cutoff:3.500A) removed outlier: 7.105A pdb=" N ALA b 67 " --> pdb=" O ILE b 56 " (cutoff:3.500A) removed outlier: 6.349A pdb=" N TYR o 245 " --> pdb=" O TYR o 234 " (cutoff:3.500A) removed outlier: 5.502A pdb=" N TYR o 234 " --> pdb=" O TYR o 245 " (cutoff:3.500A) removed outlier: 7.078A pdb=" N GLN o 247 " --> pdb=" O ILE o 232 " (cutoff:3.500A) removed outlier: 5.600A pdb=" N ILE o 232 " --> pdb=" O GLN o 247 " (cutoff:3.500A) removed outlier: 8.463A pdb=" N THR o 249 " --> pdb=" O VAL o 230 " (cutoff:3.500A) removed outlier: 7.236A pdb=" N VAL o 230 " --> pdb=" O THR o 249 " (cutoff:3.500A) removed outlier: 8.078A pdb=" N THR o 251 " --> pdb=" O THR o 228 " (cutoff:3.500A) removed outlier: 9.647A pdb=" N THR o 228 " --> pdb=" O THR o 251 " (cutoff:3.500A) removed outlier: 11.349A pdb=" N LEU o 253 " --> pdb=" O LEU o 226 " (cutoff:3.500A) removed outlier: 10.351A pdb=" N LEU o 226 " --> pdb=" O LEU o 253 " (cutoff:3.500A) removed outlier: 6.476A pdb=" N ASP o 38 " --> pdb=" O LEU o 224 " (cutoff:3.500A) removed outlier: 7.115A pdb=" N LEU o 226 " --> pdb=" O ASP o 38 " (cutoff:3.500A) Processing sheet with id=AH7, first strand: chain 'b' and resid 140 through 141 removed outlier: 6.761A pdb=" N LEU b 140 " --> pdb=" O SER b 264 " (cutoff:3.500A) removed outlier: 8.360A pdb=" N ILE b 204 " --> pdb=" O TYR b 169 " (cutoff:3.500A) removed outlier: 6.642A pdb=" N VAL b 171 " --> pdb=" O ILE b 204 " (cutoff:3.500A) Processing sheet with id=AH8, first strand: chain 'c' and resid 38 through 39 removed outlier: 6.476A pdb=" N ASP c 38 " --> pdb=" O LEU c 224 " (cutoff:3.500A) removed outlier: 7.116A pdb=" N LEU c 226 " --> pdb=" O ASP c 38 " (cutoff:3.500A) removed outlier: 10.351A pdb=" N LEU c 226 " --> pdb=" O LEU c 253 " (cutoff:3.500A) removed outlier: 11.348A pdb=" N LEU c 253 " --> pdb=" O LEU c 226 " (cutoff:3.500A) removed outlier: 9.647A pdb=" N THR c 228 " --> pdb=" O THR c 251 " (cutoff:3.500A) removed outlier: 8.078A pdb=" N THR c 251 " --> pdb=" O THR c 228 " (cutoff:3.500A) removed outlier: 7.236A pdb=" N VAL c 230 " --> pdb=" O THR c 249 " (cutoff:3.500A) removed outlier: 8.464A pdb=" N THR c 249 " --> pdb=" O VAL c 230 " (cutoff:3.500A) removed outlier: 5.599A pdb=" N ILE c 232 " --> pdb=" O GLN c 247 " (cutoff:3.500A) removed outlier: 7.079A pdb=" N GLN c 247 " --> pdb=" O ILE c 232 " (cutoff:3.500A) removed outlier: 5.502A pdb=" N TYR c 234 " --> pdb=" O TYR c 245 " (cutoff:3.500A) removed outlier: 6.349A pdb=" N TYR c 245 " --> pdb=" O TYR c 234 " (cutoff:3.500A) removed outlier: 7.106A pdb=" N ALA x 67 " --> pdb=" O ILE x 56 " (cutoff:3.500A) removed outlier: 6.705A pdb=" N ILE x 56 " --> pdb=" O ALA x 67 " (cutoff:3.500A) removed outlier: 6.569A pdb=" N LEU x 69 " --> pdb=" O ARG x 54 " (cutoff:3.500A) removed outlier: 6.618A pdb=" N ARG x 54 " --> pdb=" O LEU x 69 " (cutoff:3.500A) removed outlier: 7.199A pdb=" N ALA x 71 " --> pdb=" O THR x 52 " (cutoff:3.500A) Processing sheet with id=AH9, first strand: chain 'c' and resid 49 through 57 removed outlier: 7.199A pdb=" N ALA c 71 " --> pdb=" O THR c 52 " (cutoff:3.500A) removed outlier: 6.618A pdb=" N ARG c 54 " --> pdb=" O LEU c 69 " (cutoff:3.500A) removed outlier: 6.569A pdb=" N LEU c 69 " --> pdb=" O ARG c 54 " (cutoff:3.500A) removed outlier: 6.705A pdb=" N ILE c 56 " --> pdb=" O ALA c 67 " (cutoff:3.500A) removed outlier: 7.106A pdb=" N ALA c 67 " --> pdb=" O ILE c 56 " (cutoff:3.500A) removed outlier: 6.349A pdb=" N TYR x 245 " --> pdb=" O TYR x 234 " (cutoff:3.500A) removed outlier: 5.503A pdb=" N TYR x 234 " --> pdb=" O TYR x 245 " (cutoff:3.500A) removed outlier: 7.078A pdb=" N GLN x 247 " --> pdb=" O ILE x 232 " (cutoff:3.500A) removed outlier: 5.599A pdb=" N ILE x 232 " --> pdb=" O GLN x 247 " (cutoff:3.500A) removed outlier: 8.463A pdb=" N THR x 249 " --> pdb=" O VAL x 230 " (cutoff:3.500A) removed outlier: 7.236A pdb=" N VAL x 230 " --> pdb=" O THR x 249 " (cutoff:3.500A) removed outlier: 8.077A pdb=" N THR x 251 " --> pdb=" O THR x 228 " (cutoff:3.500A) removed outlier: 9.646A pdb=" N THR x 228 " --> pdb=" O THR x 251 " (cutoff:3.500A) removed outlier: 11.348A pdb=" N LEU x 253 " --> pdb=" O LEU x 226 " (cutoff:3.500A) removed outlier: 10.350A pdb=" N LEU x 226 " --> pdb=" O LEU x 253 " (cutoff:3.500A) removed outlier: 6.477A pdb=" N ASP x 38 " --> pdb=" O LEU x 224 " (cutoff:3.500A) removed outlier: 7.115A pdb=" N LEU x 226 " --> pdb=" O ASP x 38 " (cutoff:3.500A) Processing sheet with id=AI1, first strand: chain 'c' and resid 140 through 141 removed outlier: 6.761A pdb=" N LEU c 140 " --> pdb=" O SER c 264 " (cutoff:3.500A) removed outlier: 8.360A pdb=" N ILE c 204 " --> pdb=" O TYR c 169 " (cutoff:3.500A) removed outlier: 6.642A pdb=" N VAL c 171 " --> pdb=" O ILE c 204 " (cutoff:3.500A) Processing sheet with id=AI2, first strand: chain 'd' and resid 140 through 141 removed outlier: 6.761A pdb=" N LEU d 140 " --> pdb=" O SER d 264 " (cutoff:3.500A) removed outlier: 8.360A pdb=" N ILE d 204 " --> pdb=" O TYR d 169 " (cutoff:3.500A) removed outlier: 6.642A pdb=" N VAL d 171 " --> pdb=" O ILE d 204 " (cutoff:3.500A) Processing sheet with id=AI3, first strand: chain 'e' and resid 38 through 39 removed outlier: 6.476A pdb=" N ASP e 38 " --> pdb=" O LEU e 224 " (cutoff:3.500A) removed outlier: 7.116A pdb=" N LEU e 226 " --> pdb=" O ASP e 38 " (cutoff:3.500A) removed outlier: 10.350A pdb=" N LEU e 226 " --> pdb=" O LEU e 253 " (cutoff:3.500A) removed outlier: 11.348A pdb=" N LEU e 253 " --> pdb=" O LEU e 226 " (cutoff:3.500A) removed outlier: 9.647A pdb=" N THR e 228 " --> pdb=" O THR e 251 " (cutoff:3.500A) removed outlier: 8.078A pdb=" N THR e 251 " --> pdb=" O THR e 228 " (cutoff:3.500A) removed outlier: 7.237A pdb=" N VAL e 230 " --> pdb=" O THR e 249 " (cutoff:3.500A) removed outlier: 8.463A pdb=" N THR e 249 " --> pdb=" O VAL e 230 " (cutoff:3.500A) removed outlier: 5.600A pdb=" N ILE e 232 " --> pdb=" O GLN e 247 " (cutoff:3.500A) removed outlier: 7.078A pdb=" N GLN e 247 " --> pdb=" O ILE e 232 " (cutoff:3.500A) removed outlier: 5.502A pdb=" N TYR e 234 " --> pdb=" O TYR e 245 " (cutoff:3.500A) removed outlier: 6.349A pdb=" N TYR e 245 " --> pdb=" O TYR e 234 " (cutoff:3.500A) removed outlier: 7.106A pdb=" N ALA y 67 " --> pdb=" O ILE y 56 " (cutoff:3.500A) removed outlier: 6.704A pdb=" N ILE y 56 " --> pdb=" O ALA y 67 " (cutoff:3.500A) removed outlier: 6.569A pdb=" N LEU y 69 " --> pdb=" O ARG y 54 " (cutoff:3.500A) removed outlier: 6.618A pdb=" N ARG y 54 " --> pdb=" O LEU y 69 " (cutoff:3.500A) removed outlier: 7.199A pdb=" N ALA y 71 " --> pdb=" O THR y 52 " (cutoff:3.500A) Processing sheet with id=AI4, first strand: chain 'e' and resid 49 through 57 removed outlier: 7.199A pdb=" N ALA e 71 " --> pdb=" O THR e 52 " (cutoff:3.500A) removed outlier: 6.618A pdb=" N ARG e 54 " --> pdb=" O LEU e 69 " (cutoff:3.500A) removed outlier: 6.568A pdb=" N LEU e 69 " --> pdb=" O ARG e 54 " (cutoff:3.500A) removed outlier: 6.705A pdb=" N ILE e 56 " --> pdb=" O ALA e 67 " (cutoff:3.500A) removed outlier: 7.107A pdb=" N ALA e 67 " --> pdb=" O ILE e 56 " (cutoff:3.500A) removed outlier: 6.349A pdb=" N TYR y 245 " --> pdb=" O TYR y 234 " (cutoff:3.500A) removed outlier: 5.502A pdb=" N TYR y 234 " --> pdb=" O TYR y 245 " (cutoff:3.500A) removed outlier: 7.079A pdb=" N GLN y 247 " --> pdb=" O ILE y 232 " (cutoff:3.500A) removed outlier: 5.599A pdb=" N ILE y 232 " --> pdb=" O GLN y 247 " (cutoff:3.500A) removed outlier: 8.463A pdb=" N THR y 249 " --> pdb=" O VAL y 230 " (cutoff:3.500A) removed outlier: 7.236A pdb=" N VAL y 230 " --> pdb=" O THR y 249 " (cutoff:3.500A) removed outlier: 8.078A pdb=" N THR y 251 " --> pdb=" O THR y 228 " (cutoff:3.500A) removed outlier: 9.647A pdb=" N THR y 228 " --> pdb=" O THR y 251 " (cutoff:3.500A) removed outlier: 11.349A pdb=" N LEU y 253 " --> pdb=" O LEU y 226 " (cutoff:3.500A) removed outlier: 10.350A pdb=" N LEU y 226 " --> pdb=" O LEU y 253 " (cutoff:3.500A) removed outlier: 6.476A pdb=" N ASP y 38 " --> pdb=" O LEU y 224 " (cutoff:3.500A) removed outlier: 7.116A pdb=" N LEU y 226 " --> pdb=" O ASP y 38 " (cutoff:3.500A) Processing sheet with id=AI5, first strand: chain 'e' and resid 140 through 141 removed outlier: 6.761A pdb=" N LEU e 140 " --> pdb=" O SER e 264 " (cutoff:3.500A) removed outlier: 8.360A pdb=" N ILE e 204 " --> pdb=" O TYR e 169 " (cutoff:3.500A) removed outlier: 6.642A pdb=" N VAL e 171 " --> pdb=" O ILE e 204 " (cutoff:3.500A) Processing sheet with id=AI6, first strand: chain 'f' and resid 140 through 141 removed outlier: 6.761A pdb=" N LEU f 140 " --> pdb=" O SER f 264 " (cutoff:3.500A) removed outlier: 8.360A pdb=" N ILE f 204 " --> pdb=" O TYR f 169 " (cutoff:3.500A) removed outlier: 6.642A pdb=" N VAL f 171 " --> pdb=" O ILE f 204 " (cutoff:3.500A) Processing sheet with id=AI7, first strand: chain 'g' and resid 38 through 39 removed outlier: 6.477A pdb=" N ASP g 38 " --> pdb=" O LEU g 224 " (cutoff:3.500A) removed outlier: 7.115A pdb=" N LEU g 226 " --> pdb=" O ASP g 38 " (cutoff:3.500A) removed outlier: 10.350A pdb=" N LEU g 226 " --> pdb=" O LEU g 253 " (cutoff:3.500A) removed outlier: 11.349A pdb=" N LEU g 253 " --> pdb=" O LEU g 226 " (cutoff:3.500A) removed outlier: 9.647A pdb=" N THR g 228 " --> pdb=" O THR g 251 " (cutoff:3.500A) removed outlier: 8.078A pdb=" N THR g 251 " --> pdb=" O THR g 228 " (cutoff:3.500A) removed outlier: 7.236A pdb=" N VAL g 230 " --> pdb=" O THR g 249 " (cutoff:3.500A) removed outlier: 8.464A pdb=" N THR g 249 " --> pdb=" O VAL g 230 " (cutoff:3.500A) removed outlier: 5.599A pdb=" N ILE g 232 " --> pdb=" O GLN g 247 " (cutoff:3.500A) removed outlier: 7.078A pdb=" N GLN g 247 " --> pdb=" O ILE g 232 " (cutoff:3.500A) removed outlier: 5.502A pdb=" N TYR g 234 " --> pdb=" O TYR g 245 " (cutoff:3.500A) removed outlier: 6.349A pdb=" N TYR g 245 " --> pdb=" O TYR g 234 " (cutoff:3.500A) removed outlier: 7.107A pdb=" N ALA n 67 " --> pdb=" O ILE n 56 " (cutoff:3.500A) removed outlier: 6.704A pdb=" N ILE n 56 " --> pdb=" O ALA n 67 " (cutoff:3.500A) removed outlier: 6.569A pdb=" N LEU n 69 " --> pdb=" O ARG n 54 " (cutoff:3.500A) removed outlier: 6.617A pdb=" N ARG n 54 " --> pdb=" O LEU n 69 " (cutoff:3.500A) removed outlier: 7.199A pdb=" N ALA n 71 " --> pdb=" O THR n 52 " (cutoff:3.500A) Processing sheet with id=AI8, first strand: chain 'g' and resid 49 through 57 removed outlier: 7.200A pdb=" N ALA g 71 " --> pdb=" O THR g 52 " (cutoff:3.500A) removed outlier: 6.617A pdb=" N ARG g 54 " --> pdb=" O LEU g 69 " (cutoff:3.500A) removed outlier: 6.568A pdb=" N LEU g 69 " --> pdb=" O ARG g 54 " (cutoff:3.500A) removed outlier: 6.704A pdb=" N ILE g 56 " --> pdb=" O ALA g 67 " (cutoff:3.500A) removed outlier: 7.106A pdb=" N ALA g 67 " --> pdb=" O ILE g 56 " (cutoff:3.500A) removed outlier: 6.350A pdb=" N TYR n 245 " --> pdb=" O TYR n 234 " (cutoff:3.500A) removed outlier: 5.502A pdb=" N TYR n 234 " --> pdb=" O TYR n 245 " (cutoff:3.500A) removed outlier: 7.079A pdb=" N GLN n 247 " --> pdb=" O ILE n 232 " (cutoff:3.500A) removed outlier: 5.600A pdb=" N ILE n 232 " --> pdb=" O GLN n 247 " (cutoff:3.500A) removed outlier: 8.464A pdb=" N THR n 249 " --> pdb=" O VAL n 230 " (cutoff:3.500A) removed outlier: 7.236A pdb=" N VAL n 230 " --> pdb=" O THR n 249 " (cutoff:3.500A) removed outlier: 8.078A pdb=" N THR n 251 " --> pdb=" O THR n 228 " (cutoff:3.500A) removed outlier: 9.647A pdb=" N THR n 228 " --> pdb=" O THR n 251 " (cutoff:3.500A) removed outlier: 11.348A pdb=" N LEU n 253 " --> pdb=" O LEU n 226 " (cutoff:3.500A) removed outlier: 10.350A pdb=" N LEU n 226 " --> pdb=" O LEU n 253 " (cutoff:3.500A) removed outlier: 6.476A pdb=" N ASP n 38 " --> pdb=" O LEU n 224 " (cutoff:3.500A) removed outlier: 7.115A pdb=" N LEU n 226 " --> pdb=" O ASP n 38 " (cutoff:3.500A) Processing sheet with id=AI9, first strand: chain 'g' and resid 140 through 141 removed outlier: 6.761A pdb=" N LEU g 140 " --> pdb=" O SER g 264 " (cutoff:3.500A) removed outlier: 8.360A pdb=" N ILE g 204 " --> pdb=" O TYR g 169 " (cutoff:3.500A) removed outlier: 6.642A pdb=" N VAL g 171 " --> pdb=" O ILE g 204 " (cutoff:3.500A) Processing sheet with id=AJ1, first strand: chain 'h' and resid 38 through 39 removed outlier: 6.477A pdb=" N ASP h 38 " --> pdb=" O LEU h 224 " (cutoff:3.500A) removed outlier: 7.116A pdb=" N LEU h 226 " --> pdb=" O ASP h 38 " (cutoff:3.500A) removed outlier: 10.350A pdb=" N LEU h 226 " --> pdb=" O LEU h 253 " (cutoff:3.500A) removed outlier: 11.348A pdb=" N LEU h 253 " --> pdb=" O LEU h 226 " (cutoff:3.500A) removed outlier: 9.647A pdb=" N THR h 228 " --> pdb=" O THR h 251 " (cutoff:3.500A) removed outlier: 8.078A pdb=" N THR h 251 " --> pdb=" O THR h 228 " (cutoff:3.500A) removed outlier: 7.236A pdb=" N VAL h 230 " --> pdb=" O THR h 249 " (cutoff:3.500A) removed outlier: 8.464A pdb=" N THR h 249 " --> pdb=" O VAL h 230 " (cutoff:3.500A) removed outlier: 5.599A pdb=" N ILE h 232 " --> pdb=" O GLN h 247 " (cutoff:3.500A) removed outlier: 7.078A pdb=" N GLN h 247 " --> pdb=" O ILE h 232 " (cutoff:3.500A) removed outlier: 5.502A pdb=" N TYR h 234 " --> pdb=" O TYR h 245 " (cutoff:3.500A) removed outlier: 6.350A pdb=" N TYR h 245 " --> pdb=" O TYR h 234 " (cutoff:3.500A) removed outlier: 7.107A pdb=" N ALA i 67 " --> pdb=" O ILE i 56 " (cutoff:3.500A) removed outlier: 6.705A pdb=" N ILE i 56 " --> pdb=" O ALA i 67 " (cutoff:3.500A) removed outlier: 6.568A pdb=" N LEU i 69 " --> pdb=" O ARG i 54 " (cutoff:3.500A) removed outlier: 6.618A pdb=" N ARG i 54 " --> pdb=" O LEU i 69 " (cutoff:3.500A) removed outlier: 7.199A pdb=" N ALA i 71 " --> pdb=" O THR i 52 " (cutoff:3.500A) Processing sheet with id=AJ2, first strand: chain 'h' and resid 49 through 57 removed outlier: 7.199A pdb=" N ALA h 71 " --> pdb=" O THR h 52 " (cutoff:3.500A) removed outlier: 6.618A pdb=" N ARG h 54 " --> pdb=" O LEU h 69 " (cutoff:3.500A) removed outlier: 6.569A pdb=" N LEU h 69 " --> pdb=" O ARG h 54 " (cutoff:3.500A) removed outlier: 6.704A pdb=" N ILE h 56 " --> pdb=" O ALA h 67 " (cutoff:3.500A) removed outlier: 7.107A pdb=" N ALA h 67 " --> pdb=" O ILE h 56 " (cutoff:3.500A) removed outlier: 6.349A pdb=" N TYR i 245 " --> pdb=" O TYR i 234 " (cutoff:3.500A) removed outlier: 5.502A pdb=" N TYR i 234 " --> pdb=" O TYR i 245 " (cutoff:3.500A) removed outlier: 7.079A pdb=" N GLN i 247 " --> pdb=" O ILE i 232 " (cutoff:3.500A) removed outlier: 5.599A pdb=" N ILE i 232 " --> pdb=" O GLN i 247 " (cutoff:3.500A) removed outlier: 8.464A pdb=" N THR i 249 " --> pdb=" O VAL i 230 " (cutoff:3.500A) removed outlier: 7.236A pdb=" N VAL i 230 " --> pdb=" O THR i 249 " (cutoff:3.500A) removed outlier: 8.078A pdb=" N THR i 251 " --> pdb=" O THR i 228 " (cutoff:3.500A) removed outlier: 9.647A pdb=" N THR i 228 " --> pdb=" O THR i 251 " (cutoff:3.500A) removed outlier: 11.348A pdb=" N LEU i 253 " --> pdb=" O LEU i 226 " (cutoff:3.500A) removed outlier: 10.350A pdb=" N LEU i 226 " --> pdb=" O LEU i 253 " (cutoff:3.500A) removed outlier: 6.476A pdb=" N ASP i 38 " --> pdb=" O LEU i 224 " (cutoff:3.500A) removed outlier: 7.116A pdb=" N LEU i 226 " --> pdb=" O ASP i 38 " (cutoff:3.500A) Processing sheet with id=AJ3, first strand: chain 'h' and resid 140 through 141 removed outlier: 6.761A pdb=" N LEU h 140 " --> pdb=" O SER h 264 " (cutoff:3.500A) removed outlier: 8.360A pdb=" N ILE h 204 " --> pdb=" O TYR h 169 " (cutoff:3.500A) removed outlier: 6.642A pdb=" N VAL h 171 " --> pdb=" O ILE h 204 " (cutoff:3.500A) Processing sheet with id=AJ4, first strand: chain 'i' and resid 140 through 141 removed outlier: 6.761A pdb=" N LEU i 140 " --> pdb=" O SER i 264 " (cutoff:3.500A) removed outlier: 8.360A pdb=" N ILE i 204 " --> pdb=" O TYR i 169 " (cutoff:3.500A) removed outlier: 6.642A pdb=" N VAL i 171 " --> pdb=" O ILE i 204 " (cutoff:3.500A) Processing sheet with id=AJ5, first strand: chain 'j' and resid 38 through 39 removed outlier: 6.476A pdb=" N ASP j 38 " --> pdb=" O LEU j 224 " (cutoff:3.500A) removed outlier: 7.115A pdb=" N LEU j 226 " --> pdb=" O ASP j 38 " (cutoff:3.500A) removed outlier: 10.351A pdb=" N LEU j 226 " --> pdb=" O LEU j 253 " (cutoff:3.500A) removed outlier: 11.348A pdb=" N LEU j 253 " --> pdb=" O LEU j 226 " (cutoff:3.500A) removed outlier: 9.647A pdb=" N THR j 228 " --> pdb=" O THR j 251 " (cutoff:3.500A) removed outlier: 8.077A pdb=" N THR j 251 " --> pdb=" O THR j 228 " (cutoff:3.500A) removed outlier: 7.237A pdb=" N VAL j 230 " --> pdb=" O THR j 249 " (cutoff:3.500A) removed outlier: 8.463A pdb=" N THR j 249 " --> pdb=" O VAL j 230 " (cutoff:3.500A) removed outlier: 5.599A pdb=" N ILE j 232 " --> pdb=" O GLN j 247 " (cutoff:3.500A) removed outlier: 7.079A pdb=" N GLN j 247 " --> pdb=" O ILE j 232 " (cutoff:3.500A) removed outlier: 5.503A pdb=" N TYR j 234 " --> pdb=" O TYR j 245 " (cutoff:3.500A) removed outlier: 6.349A pdb=" N TYR j 245 " --> pdb=" O TYR j 234 " (cutoff:3.500A) removed outlier: 7.106A pdb=" N ALA p 67 " --> pdb=" O ILE p 56 " (cutoff:3.500A) removed outlier: 6.705A pdb=" N ILE p 56 " --> pdb=" O ALA p 67 " (cutoff:3.500A) removed outlier: 6.568A pdb=" N LEU p 69 " --> pdb=" O ARG p 54 " (cutoff:3.500A) removed outlier: 6.617A pdb=" N ARG p 54 " --> pdb=" O LEU p 69 " (cutoff:3.500A) removed outlier: 7.199A pdb=" N ALA p 71 " --> pdb=" O THR p 52 " (cutoff:3.500A) Processing sheet with id=AJ6, first strand: chain 'j' and resid 49 through 57 removed outlier: 7.199A pdb=" N ALA j 71 " --> pdb=" O THR j 52 " (cutoff:3.500A) removed outlier: 6.617A pdb=" N ARG j 54 " --> pdb=" O LEU j 69 " (cutoff:3.500A) removed outlier: 6.568A pdb=" N LEU j 69 " --> pdb=" O ARG j 54 " (cutoff:3.500A) removed outlier: 6.704A pdb=" N ILE j 56 " --> pdb=" O ALA j 67 " (cutoff:3.500A) removed outlier: 7.106A pdb=" N ALA j 67 " --> pdb=" O ILE j 56 " (cutoff:3.500A) removed outlier: 6.349A pdb=" N TYR p 245 " --> pdb=" O TYR p 234 " (cutoff:3.500A) removed outlier: 5.501A pdb=" N TYR p 234 " --> pdb=" O TYR p 245 " (cutoff:3.500A) removed outlier: 7.078A pdb=" N GLN p 247 " --> pdb=" O ILE p 232 " (cutoff:3.500A) removed outlier: 5.600A pdb=" N ILE p 232 " --> pdb=" O GLN p 247 " (cutoff:3.500A) removed outlier: 8.464A pdb=" N THR p 249 " --> pdb=" O VAL p 230 " (cutoff:3.500A) removed outlier: 7.236A pdb=" N VAL p 230 " --> pdb=" O THR p 249 " (cutoff:3.500A) removed outlier: 8.078A pdb=" N THR p 251 " --> pdb=" O THR p 228 " (cutoff:3.500A) removed outlier: 9.647A pdb=" N THR p 228 " --> pdb=" O THR p 251 " (cutoff:3.500A) removed outlier: 11.348A pdb=" N LEU p 253 " --> pdb=" O LEU p 226 " (cutoff:3.500A) removed outlier: 10.350A pdb=" N LEU p 226 " --> pdb=" O LEU p 253 " (cutoff:3.500A) removed outlier: 6.477A pdb=" N ASP p 38 " --> pdb=" O LEU p 224 " (cutoff:3.500A) removed outlier: 7.115A pdb=" N LEU p 226 " --> pdb=" O ASP p 38 " (cutoff:3.500A) Processing sheet with id=AJ7, first strand: chain 'j' and resid 140 through 141 removed outlier: 6.761A pdb=" N LEU j 140 " --> pdb=" O SER j 264 " (cutoff:3.500A) removed outlier: 8.360A pdb=" N ILE j 204 " --> pdb=" O TYR j 169 " (cutoff:3.500A) removed outlier: 6.641A pdb=" N VAL j 171 " --> pdb=" O ILE j 204 " (cutoff:3.500A) Processing sheet with id=AJ8, first strand: chain 'k' and resid 140 through 141 removed outlier: 6.762A pdb=" N LEU k 140 " --> pdb=" O SER k 264 " (cutoff:3.500A) removed outlier: 8.360A pdb=" N ILE k 204 " --> pdb=" O TYR k 169 " (cutoff:3.500A) removed outlier: 6.642A pdb=" N VAL k 171 " --> pdb=" O ILE k 204 " (cutoff:3.500A) Processing sheet with id=AJ9, first strand: chain 'l' and resid 140 through 141 removed outlier: 6.761A pdb=" N LEU l 140 " --> pdb=" O SER l 264 " (cutoff:3.500A) removed outlier: 8.360A pdb=" N ILE l 204 " --> pdb=" O TYR l 169 " (cutoff:3.500A) removed outlier: 6.642A pdb=" N VAL l 171 " --> pdb=" O ILE l 204 " (cutoff:3.500A) Processing sheet with id=AK1, first strand: chain 'm' and resid 140 through 141 removed outlier: 6.760A pdb=" N LEU m 140 " --> pdb=" O SER m 264 " (cutoff:3.500A) removed outlier: 8.360A pdb=" N ILE m 204 " --> pdb=" O TYR m 169 " (cutoff:3.500A) removed outlier: 6.642A pdb=" N VAL m 171 " --> pdb=" O ILE m 204 " (cutoff:3.500A) Processing sheet with id=AK2, first strand: chain 'n' and resid 140 through 141 removed outlier: 6.761A pdb=" N LEU n 140 " --> pdb=" O SER n 264 " (cutoff:3.500A) removed outlier: 8.360A pdb=" N ILE n 204 " --> pdb=" O TYR n 169 " (cutoff:3.500A) removed outlier: 6.642A pdb=" N VAL n 171 " --> pdb=" O ILE n 204 " (cutoff:3.500A) Processing sheet with id=AK3, first strand: chain 'o' and resid 140 through 141 removed outlier: 6.761A pdb=" N LEU o 140 " --> pdb=" O SER o 264 " (cutoff:3.500A) removed outlier: 8.360A pdb=" N ILE o 204 " --> pdb=" O TYR o 169 " (cutoff:3.500A) removed outlier: 6.643A pdb=" N VAL o 171 " --> pdb=" O ILE o 204 " (cutoff:3.500A) Processing sheet with id=AK4, first strand: chain 'p' and resid 140 through 141 removed outlier: 6.760A pdb=" N LEU p 140 " --> pdb=" O SER p 264 " (cutoff:3.500A) removed outlier: 8.360A pdb=" N ILE p 204 " --> pdb=" O TYR p 169 " (cutoff:3.500A) removed outlier: 6.643A pdb=" N VAL p 171 " --> pdb=" O ILE p 204 " (cutoff:3.500A) Processing sheet with id=AK5, first strand: chain 'q' and resid 140 through 141 removed outlier: 6.761A pdb=" N LEU q 140 " --> pdb=" O SER q 264 " (cutoff:3.500A) removed outlier: 8.360A pdb=" N ILE q 204 " --> pdb=" O TYR q 169 " (cutoff:3.500A) removed outlier: 6.642A pdb=" N VAL q 171 " --> pdb=" O ILE q 204 " (cutoff:3.500A) Processing sheet with id=AK6, first strand: chain 'r' and resid 38 through 39 removed outlier: 6.476A pdb=" N ASP r 38 " --> pdb=" O LEU r 224 " (cutoff:3.500A) removed outlier: 7.116A pdb=" N LEU r 226 " --> pdb=" O ASP r 38 " (cutoff:3.500A) removed outlier: 10.351A pdb=" N LEU r 226 " --> pdb=" O LEU r 253 " (cutoff:3.500A) removed outlier: 11.349A pdb=" N LEU r 253 " --> pdb=" O LEU r 226 " (cutoff:3.500A) removed outlier: 9.646A pdb=" N THR r 228 " --> pdb=" O THR r 251 " (cutoff:3.500A) removed outlier: 8.078A pdb=" N THR r 251 " --> pdb=" O THR r 228 " (cutoff:3.500A) removed outlier: 7.237A pdb=" N VAL r 230 " --> pdb=" O THR r 249 " (cutoff:3.500A) removed outlier: 8.463A pdb=" N THR r 249 " --> pdb=" O VAL r 230 " (cutoff:3.500A) removed outlier: 5.599A pdb=" N ILE r 232 " --> pdb=" O GLN r 247 " (cutoff:3.500A) removed outlier: 7.078A pdb=" N GLN r 247 " --> pdb=" O ILE r 232 " (cutoff:3.500A) removed outlier: 5.501A pdb=" N TYR r 234 " --> pdb=" O TYR r 245 " (cutoff:3.500A) removed outlier: 6.349A pdb=" N TYR r 245 " --> pdb=" O TYR r 234 " (cutoff:3.500A) removed outlier: 7.107A pdb=" N ALA s 67 " --> pdb=" O ILE s 56 " (cutoff:3.500A) removed outlier: 6.705A pdb=" N ILE s 56 " --> pdb=" O ALA s 67 " (cutoff:3.500A) removed outlier: 6.568A pdb=" N LEU s 69 " --> pdb=" O ARG s 54 " (cutoff:3.500A) removed outlier: 6.617A pdb=" N ARG s 54 " --> pdb=" O LEU s 69 " (cutoff:3.500A) removed outlier: 7.199A pdb=" N ALA s 71 " --> pdb=" O THR s 52 " (cutoff:3.500A) Processing sheet with id=AK7, first strand: chain 'r' and resid 49 through 57 removed outlier: 7.200A pdb=" N ALA r 71 " --> pdb=" O THR r 52 " (cutoff:3.500A) removed outlier: 6.617A pdb=" N ARG r 54 " --> pdb=" O LEU r 69 " (cutoff:3.500A) removed outlier: 6.569A pdb=" N LEU r 69 " --> pdb=" O ARG r 54 " (cutoff:3.500A) removed outlier: 6.704A pdb=" N ILE r 56 " --> pdb=" O ALA r 67 " (cutoff:3.500A) removed outlier: 7.106A pdb=" N ALA r 67 " --> pdb=" O ILE r 56 " (cutoff:3.500A) removed outlier: 6.349A pdb=" N TYR s 245 " --> pdb=" O TYR s 234 " (cutoff:3.500A) removed outlier: 5.502A pdb=" N TYR s 234 " --> pdb=" O TYR s 245 " (cutoff:3.500A) removed outlier: 7.078A pdb=" N GLN s 247 " --> pdb=" O ILE s 232 " (cutoff:3.500A) removed outlier: 5.599A pdb=" N ILE s 232 " --> pdb=" O GLN s 247 " (cutoff:3.500A) removed outlier: 8.463A pdb=" N THR s 249 " --> pdb=" O VAL s 230 " (cutoff:3.500A) removed outlier: 7.237A pdb=" N VAL s 230 " --> pdb=" O THR s 249 " (cutoff:3.500A) removed outlier: 8.077A pdb=" N THR s 251 " --> pdb=" O THR s 228 " (cutoff:3.500A) removed outlier: 9.647A pdb=" N THR s 228 " --> pdb=" O THR s 251 " (cutoff:3.500A) removed outlier: 11.348A pdb=" N LEU s 253 " --> pdb=" O LEU s 226 " (cutoff:3.500A) removed outlier: 10.350A pdb=" N LEU s 226 " --> pdb=" O LEU s 253 " (cutoff:3.500A) removed outlier: 6.477A pdb=" N ASP s 38 " --> pdb=" O LEU s 224 " (cutoff:3.500A) removed outlier: 7.116A pdb=" N LEU s 226 " --> pdb=" O ASP s 38 " (cutoff:3.500A) Processing sheet with id=AK8, first strand: chain 'r' and resid 140 through 141 removed outlier: 6.760A pdb=" N LEU r 140 " --> pdb=" O SER r 264 " (cutoff:3.500A) removed outlier: 8.360A pdb=" N ILE r 204 " --> pdb=" O TYR r 169 " (cutoff:3.500A) removed outlier: 6.642A pdb=" N VAL r 171 " --> pdb=" O ILE r 204 " (cutoff:3.500A) Processing sheet with id=AK9, first strand: chain 's' and resid 140 through 141 removed outlier: 6.761A pdb=" N LEU s 140 " --> pdb=" O SER s 264 " (cutoff:3.500A) removed outlier: 8.360A pdb=" N ILE s 204 " --> pdb=" O TYR s 169 " (cutoff:3.500A) removed outlier: 6.642A pdb=" N VAL s 171 " --> pdb=" O ILE s 204 " (cutoff:3.500A) Processing sheet with id=AL1, first strand: chain 't' and resid 140 through 141 removed outlier: 6.761A pdb=" N LEU t 140 " --> pdb=" O SER t 264 " (cutoff:3.500A) removed outlier: 8.360A pdb=" N ILE t 204 " --> pdb=" O TYR t 169 " (cutoff:3.500A) removed outlier: 6.641A pdb=" N VAL t 171 " --> pdb=" O ILE t 204 " (cutoff:3.500A) Processing sheet with id=AL2, first strand: chain 'u' and resid 140 through 141 removed outlier: 6.761A pdb=" N LEU u 140 " --> pdb=" O SER u 264 " (cutoff:3.500A) removed outlier: 8.359A pdb=" N ILE u 204 " --> pdb=" O TYR u 169 " (cutoff:3.500A) removed outlier: 6.642A pdb=" N VAL u 171 " --> pdb=" O ILE u 204 " (cutoff:3.500A) Processing sheet with id=AL3, first strand: chain 'v' and resid 140 through 141 removed outlier: 6.761A pdb=" N LEU v 140 " --> pdb=" O SER v 264 " (cutoff:3.500A) removed outlier: 8.360A pdb=" N ILE v 204 " --> pdb=" O TYR v 169 " (cutoff:3.500A) removed outlier: 6.643A pdb=" N VAL v 171 " --> pdb=" O ILE v 204 " (cutoff:3.500A) Processing sheet with id=AL4, first strand: chain 'w' and resid 38 through 39 removed outlier: 6.477A pdb=" N ASP w 38 " --> pdb=" O LEU w 224 " (cutoff:3.500A) removed outlier: 7.116A pdb=" N LEU w 226 " --> pdb=" O ASP w 38 " (cutoff:3.500A) removed outlier: 10.350A pdb=" N LEU w 226 " --> pdb=" O LEU w 253 " (cutoff:3.500A) removed outlier: 11.348A pdb=" N LEU w 253 " --> pdb=" O LEU w 226 " (cutoff:3.500A) removed outlier: 9.647A pdb=" N THR w 228 " --> pdb=" O THR w 251 " (cutoff:3.500A) removed outlier: 8.078A pdb=" N THR w 251 " --> pdb=" O THR w 228 " (cutoff:3.500A) removed outlier: 7.237A pdb=" N VAL w 230 " --> pdb=" O THR w 249 " (cutoff:3.500A) removed outlier: 8.464A pdb=" N THR w 249 " --> pdb=" O VAL w 230 " (cutoff:3.500A) removed outlier: 5.599A pdb=" N ILE w 232 " --> pdb=" O GLN w 247 " (cutoff:3.500A) removed outlier: 7.079A pdb=" N GLN w 247 " --> pdb=" O ILE w 232 " (cutoff:3.500A) removed outlier: 5.502A pdb=" N TYR w 234 " --> pdb=" O TYR w 245 " (cutoff:3.500A) removed outlier: 6.349A pdb=" N TYR w 245 " --> pdb=" O TYR w 234 " (cutoff:3.500A) removed outlier: 7.106A pdb=" N ALA 2 67 " --> pdb=" O ILE 2 56 " (cutoff:3.500A) removed outlier: 6.704A pdb=" N ILE 2 56 " --> pdb=" O ALA 2 67 " (cutoff:3.500A) removed outlier: 6.568A pdb=" N LEU 2 69 " --> pdb=" O ARG 2 54 " (cutoff:3.500A) removed outlier: 6.617A pdb=" N ARG 2 54 " --> pdb=" O LEU 2 69 " (cutoff:3.500A) removed outlier: 7.199A pdb=" N ALA 2 71 " --> pdb=" O THR 2 52 " (cutoff:3.500A) Processing sheet with id=AL5, first strand: chain 'w' and resid 49 through 57 removed outlier: 7.199A pdb=" N ALA w 71 " --> pdb=" O THR w 52 " (cutoff:3.500A) removed outlier: 6.617A pdb=" N ARG w 54 " --> pdb=" O LEU w 69 " (cutoff:3.500A) removed outlier: 6.568A pdb=" N LEU w 69 " --> pdb=" O ARG w 54 " (cutoff:3.500A) removed outlier: 6.705A pdb=" N ILE w 56 " --> pdb=" O ALA w 67 " (cutoff:3.500A) removed outlier: 7.107A pdb=" N ALA w 67 " --> pdb=" O ILE w 56 " (cutoff:3.500A) removed outlier: 6.349A pdb=" N TYR 2 245 " --> pdb=" O TYR 2 234 " (cutoff:3.500A) removed outlier: 5.503A pdb=" N TYR 2 234 " --> pdb=" O TYR 2 245 " (cutoff:3.500A) removed outlier: 7.078A pdb=" N GLN 2 247 " --> pdb=" O ILE 2 232 " (cutoff:3.500A) removed outlier: 5.599A pdb=" N ILE 2 232 " --> pdb=" O GLN 2 247 " (cutoff:3.500A) removed outlier: 8.463A pdb=" N THR 2 249 " --> pdb=" O VAL 2 230 " (cutoff:3.500A) removed outlier: 7.237A pdb=" N VAL 2 230 " --> pdb=" O THR 2 249 " (cutoff:3.500A) removed outlier: 8.078A pdb=" N THR 2 251 " --> pdb=" O THR 2 228 " (cutoff:3.500A) removed outlier: 9.646A pdb=" N THR 2 228 " --> pdb=" O THR 2 251 " (cutoff:3.500A) removed outlier: 11.348A pdb=" N LEU 2 253 " --> pdb=" O LEU 2 226 " (cutoff:3.500A) removed outlier: 10.350A pdb=" N LEU 2 226 " --> pdb=" O LEU 2 253 " (cutoff:3.500A) removed outlier: 6.477A pdb=" N ASP 2 38 " --> pdb=" O LEU 2 224 " (cutoff:3.500A) removed outlier: 7.115A pdb=" N LEU 2 226 " --> pdb=" O ASP 2 38 " (cutoff:3.500A) Processing sheet with id=AL6, first strand: chain 'w' and resid 140 through 141 removed outlier: 6.760A pdb=" N LEU w 140 " --> pdb=" O SER w 264 " (cutoff:3.500A) removed outlier: 8.359A pdb=" N ILE w 204 " --> pdb=" O TYR w 169 " (cutoff:3.500A) removed outlier: 6.642A pdb=" N VAL w 171 " --> pdb=" O ILE w 204 " (cutoff:3.500A) Processing sheet with id=AL7, first strand: chain 'x' and resid 140 through 141 removed outlier: 6.761A pdb=" N LEU x 140 " --> pdb=" O SER x 264 " (cutoff:3.500A) removed outlier: 8.359A pdb=" N ILE x 204 " --> pdb=" O TYR x 169 " (cutoff:3.500A) removed outlier: 6.642A pdb=" N VAL x 171 " --> pdb=" O ILE x 204 " (cutoff:3.500A) Processing sheet with id=AL8, first strand: chain 'y' and resid 140 through 141 removed outlier: 6.760A pdb=" N LEU y 140 " --> pdb=" O SER y 264 " (cutoff:3.500A) removed outlier: 8.359A pdb=" N ILE y 204 " --> pdb=" O TYR y 169 " (cutoff:3.500A) removed outlier: 6.642A pdb=" N VAL y 171 " --> pdb=" O ILE y 204 " (cutoff:3.500A) Processing sheet with id=AL9, first strand: chain 'z' and resid 38 through 39 removed outlier: 6.476A pdb=" N ASP z 38 " --> pdb=" O LEU z 224 " (cutoff:3.500A) removed outlier: 7.116A pdb=" N LEU z 226 " --> pdb=" O ASP z 38 " (cutoff:3.500A) removed outlier: 10.350A pdb=" N LEU z 226 " --> pdb=" O LEU z 253 " (cutoff:3.500A) removed outlier: 11.348A pdb=" N LEU z 253 " --> pdb=" O LEU z 226 " (cutoff:3.500A) removed outlier: 9.647A pdb=" N THR z 228 " --> pdb=" O THR z 251 " (cutoff:3.500A) removed outlier: 8.078A pdb=" N THR z 251 " --> pdb=" O THR z 228 " (cutoff:3.500A) removed outlier: 7.236A pdb=" N VAL z 230 " --> pdb=" O THR z 249 " (cutoff:3.500A) removed outlier: 8.463A pdb=" N THR z 249 " --> pdb=" O VAL z 230 " (cutoff:3.500A) removed outlier: 5.599A pdb=" N ILE z 232 " --> pdb=" O GLN z 247 " (cutoff:3.500A) removed outlier: 7.079A pdb=" N GLN z 247 " --> pdb=" O ILE z 232 " (cutoff:3.500A) removed outlier: 5.502A pdb=" N TYR z 234 " --> pdb=" O TYR z 245 " (cutoff:3.500A) removed outlier: 6.349A pdb=" N TYR z 245 " --> pdb=" O TYR z 234 " (cutoff:3.500A) removed outlier: 7.105A pdb=" N ALA 4 67 " --> pdb=" O ILE 4 56 " (cutoff:3.500A) removed outlier: 6.704A pdb=" N ILE 4 56 " --> pdb=" O ALA 4 67 " (cutoff:3.500A) removed outlier: 6.569A pdb=" N LEU 4 69 " --> pdb=" O ARG 4 54 " (cutoff:3.500A) removed outlier: 6.617A pdb=" N ARG 4 54 " --> pdb=" O LEU 4 69 " (cutoff:3.500A) removed outlier: 7.199A pdb=" N ALA 4 71 " --> pdb=" O THR 4 52 " (cutoff:3.500A) Processing sheet with id=AM1, first strand: chain 'z' and resid 49 through 57 removed outlier: 7.199A pdb=" N ALA z 71 " --> pdb=" O THR z 52 " (cutoff:3.500A) removed outlier: 6.617A pdb=" N ARG z 54 " --> pdb=" O LEU z 69 " (cutoff:3.500A) removed outlier: 6.569A pdb=" N LEU z 69 " --> pdb=" O ARG z 54 " (cutoff:3.500A) removed outlier: 6.705A pdb=" N ILE z 56 " --> pdb=" O ALA z 67 " (cutoff:3.500A) removed outlier: 7.107A pdb=" N ALA z 67 " --> pdb=" O ILE z 56 " (cutoff:3.500A) removed outlier: 6.349A pdb=" N TYR 4 245 " --> pdb=" O TYR 4 234 " (cutoff:3.500A) removed outlier: 5.503A pdb=" N TYR 4 234 " --> pdb=" O TYR 4 245 " (cutoff:3.500A) removed outlier: 7.078A pdb=" N GLN 4 247 " --> pdb=" O ILE 4 232 " (cutoff:3.500A) removed outlier: 5.600A pdb=" N ILE 4 232 " --> pdb=" O GLN 4 247 " (cutoff:3.500A) removed outlier: 8.464A pdb=" N THR 4 249 " --> pdb=" O VAL 4 230 " (cutoff:3.500A) removed outlier: 7.237A pdb=" N VAL 4 230 " --> pdb=" O THR 4 249 " (cutoff:3.500A) removed outlier: 8.078A pdb=" N THR 4 251 " --> pdb=" O THR 4 228 " (cutoff:3.500A) removed outlier: 9.647A pdb=" N THR 4 228 " --> pdb=" O THR 4 251 " (cutoff:3.500A) removed outlier: 11.348A pdb=" N LEU 4 253 " --> pdb=" O LEU 4 226 " (cutoff:3.500A) removed outlier: 10.351A pdb=" N LEU 4 226 " --> pdb=" O LEU 4 253 " (cutoff:3.500A) removed outlier: 6.476A pdb=" N ASP 4 38 " --> pdb=" O LEU 4 224 " (cutoff:3.500A) removed outlier: 7.116A pdb=" N LEU 4 226 " --> pdb=" O ASP 4 38 " (cutoff:3.500A) Processing sheet with id=AM2, first strand: chain 'z' and resid 140 through 141 removed outlier: 6.761A pdb=" N LEU z 140 " --> pdb=" O SER z 264 " (cutoff:3.500A) removed outlier: 8.360A pdb=" N ILE z 204 " --> pdb=" O TYR z 169 " (cutoff:3.500A) removed outlier: 6.642A pdb=" N VAL z 171 " --> pdb=" O ILE z 204 " (cutoff:3.500A) Processing sheet with id=AM3, first strand: chain '0' and resid 140 through 141 removed outlier: 6.760A pdb=" N LEU 0 140 " --> pdb=" O SER 0 264 " (cutoff:3.500A) removed outlier: 8.359A pdb=" N ILE 0 204 " --> pdb=" O TYR 0 169 " (cutoff:3.500A) removed outlier: 6.642A pdb=" N VAL 0 171 " --> pdb=" O ILE 0 204 " (cutoff:3.500A) Processing sheet with id=AM4, first strand: chain '1' and resid 140 through 141 removed outlier: 6.761A pdb=" N LEU 1 140 " --> pdb=" O SER 1 264 " (cutoff:3.500A) removed outlier: 8.359A pdb=" N ILE 1 204 " --> pdb=" O TYR 1 169 " (cutoff:3.500A) removed outlier: 6.642A pdb=" N VAL 1 171 " --> pdb=" O ILE 1 204 " (cutoff:3.500A) Processing sheet with id=AM5, first strand: chain '2' and resid 140 through 141 removed outlier: 6.761A pdb=" N LEU 2 140 " --> pdb=" O SER 2 264 " (cutoff:3.500A) removed outlier: 8.359A pdb=" N ILE 2 204 " --> pdb=" O TYR 2 169 " (cutoff:3.500A) removed outlier: 6.642A pdb=" N VAL 2 171 " --> pdb=" O ILE 2 204 " (cutoff:3.500A) Processing sheet with id=AM6, first strand: chain '3' and resid 140 through 141 removed outlier: 6.761A pdb=" N LEU 3 140 " --> pdb=" O SER 3 264 " (cutoff:3.500A) removed outlier: 8.361A pdb=" N ILE 3 204 " --> pdb=" O TYR 3 169 " (cutoff:3.500A) removed outlier: 6.642A pdb=" N VAL 3 171 " --> pdb=" O ILE 3 204 " (cutoff:3.500A) Processing sheet with id=AM7, first strand: chain '4' and resid 140 through 141 removed outlier: 6.761A pdb=" N LEU 4 140 " --> pdb=" O SER 4 264 " (cutoff:3.500A) removed outlier: 8.359A pdb=" N ILE 4 204 " --> pdb=" O TYR 4 169 " (cutoff:3.500A) removed outlier: 6.642A pdb=" N VAL 4 171 " --> pdb=" O ILE 4 204 " (cutoff:3.500A) Processing sheet with id=AM8, first strand: chain '5' and resid 38 through 39 removed outlier: 6.476A pdb=" N ASP 5 38 " --> pdb=" O LEU 5 224 " (cutoff:3.500A) removed outlier: 7.115A pdb=" N LEU 5 226 " --> pdb=" O ASP 5 38 " (cutoff:3.500A) removed outlier: 10.351A pdb=" N LEU 5 226 " --> pdb=" O LEU 5 253 " (cutoff:3.500A) removed outlier: 11.349A pdb=" N LEU 5 253 " --> pdb=" O LEU 5 226 " (cutoff:3.500A) removed outlier: 9.648A pdb=" N THR 5 228 " --> pdb=" O THR 5 251 " (cutoff:3.500A) removed outlier: 8.078A pdb=" N THR 5 251 " --> pdb=" O THR 5 228 " (cutoff:3.500A) removed outlier: 7.236A pdb=" N VAL 5 230 " --> pdb=" O THR 5 249 " (cutoff:3.500A) removed outlier: 8.464A pdb=" N THR 5 249 " --> pdb=" O VAL 5 230 " (cutoff:3.500A) removed outlier: 5.600A pdb=" N ILE 5 232 " --> pdb=" O GLN 5 247 " (cutoff:3.500A) removed outlier: 7.078A pdb=" N GLN 5 247 " --> pdb=" O ILE 5 232 " (cutoff:3.500A) removed outlier: 5.502A pdb=" N TYR 5 234 " --> pdb=" O TYR 5 245 " (cutoff:3.500A) removed outlier: 6.349A pdb=" N TYR 5 245 " --> pdb=" O TYR 5 234 " (cutoff:3.500A) removed outlier: 7.106A pdb=" N ALA 7 67 " --> pdb=" O ILE 7 56 " (cutoff:3.500A) removed outlier: 6.704A pdb=" N ILE 7 56 " --> pdb=" O ALA 7 67 " (cutoff:3.500A) removed outlier: 6.568A pdb=" N LEU 7 69 " --> pdb=" O ARG 7 54 " (cutoff:3.500A) removed outlier: 6.618A pdb=" N ARG 7 54 " --> pdb=" O LEU 7 69 " (cutoff:3.500A) removed outlier: 7.200A pdb=" N ALA 7 71 " --> pdb=" O THR 7 52 " (cutoff:3.500A) Processing sheet with id=AM9, first strand: chain '5' and resid 49 through 57 removed outlier: 7.199A pdb=" N ALA 5 71 " --> pdb=" O THR 5 52 " (cutoff:3.500A) removed outlier: 6.618A pdb=" N ARG 5 54 " --> pdb=" O LEU 5 69 " (cutoff:3.500A) removed outlier: 6.569A pdb=" N LEU 5 69 " --> pdb=" O ARG 5 54 " (cutoff:3.500A) removed outlier: 6.704A pdb=" N ILE 5 56 " --> pdb=" O ALA 5 67 " (cutoff:3.500A) removed outlier: 7.106A pdb=" N ALA 5 67 " --> pdb=" O ILE 5 56 " (cutoff:3.500A) removed outlier: 6.349A pdb=" N TYR 7 245 " --> pdb=" O TYR 7 234 " (cutoff:3.500A) removed outlier: 5.503A pdb=" N TYR 7 234 " --> pdb=" O TYR 7 245 " (cutoff:3.500A) removed outlier: 7.078A pdb=" N GLN 7 247 " --> pdb=" O ILE 7 232 " (cutoff:3.500A) removed outlier: 5.600A pdb=" N ILE 7 232 " --> pdb=" O GLN 7 247 " (cutoff:3.500A) removed outlier: 8.463A pdb=" N THR 7 249 " --> pdb=" O VAL 7 230 " (cutoff:3.500A) removed outlier: 7.237A pdb=" N VAL 7 230 " --> pdb=" O THR 7 249 " (cutoff:3.500A) removed outlier: 8.078A pdb=" N THR 7 251 " --> pdb=" O THR 7 228 " (cutoff:3.500A) removed outlier: 9.647A pdb=" N THR 7 228 " --> pdb=" O THR 7 251 " (cutoff:3.500A) removed outlier: 11.348A pdb=" N LEU 7 253 " --> pdb=" O LEU 7 226 " (cutoff:3.500A) removed outlier: 10.350A pdb=" N LEU 7 226 " --> pdb=" O LEU 7 253 " (cutoff:3.500A) removed outlier: 6.477A pdb=" N ASP 7 38 " --> pdb=" O LEU 7 224 " (cutoff:3.500A) removed outlier: 7.116A pdb=" N LEU 7 226 " --> pdb=" O ASP 7 38 " (cutoff:3.500A) Processing sheet with id=AN1, first strand: chain '5' and resid 140 through 141 removed outlier: 6.761A pdb=" N LEU 5 140 " --> pdb=" O SER 5 264 " (cutoff:3.500A) removed outlier: 8.360A pdb=" N ILE 5 204 " --> pdb=" O TYR 5 169 " (cutoff:3.500A) removed outlier: 6.643A pdb=" N VAL 5 171 " --> pdb=" O ILE 5 204 " (cutoff:3.500A) Processing sheet with id=AN2, first strand: chain '6' and resid 140 through 141 removed outlier: 6.761A pdb=" N LEU 6 140 " --> pdb=" O SER 6 264 " (cutoff:3.500A) removed outlier: 8.360A pdb=" N ILE 6 204 " --> pdb=" O TYR 6 169 " (cutoff:3.500A) removed outlier: 6.642A pdb=" N VAL 6 171 " --> pdb=" O ILE 6 204 " (cutoff:3.500A) Processing sheet with id=AN3, first strand: chain '7' and resid 140 through 141 removed outlier: 6.761A pdb=" N LEU 7 140 " --> pdb=" O SER 7 264 " (cutoff:3.500A) removed outlier: 8.359A pdb=" N ILE 7 204 " --> pdb=" O TYR 7 169 " (cutoff:3.500A) removed outlier: 6.642A pdb=" N VAL 7 171 " --> pdb=" O ILE 7 204 " (cutoff:3.500A) 5700 hydrogen bonds defined for protein. 15480 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: 68.73 Time building geometry restraints manager: 40.22 seconds NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Histogram of bond lengths: 1.21 - 1.33: 31346 1.33 - 1.45: 22185 1.45 - 1.57: 70729 1.57 - 1.69: 0 1.69 - 1.80: 180 Bond restraints: 124440 Sorted by residual: bond pdb=" C LYS e 59 " pdb=" O LYS e 59 " ideal model delta sigma weight residual 1.235 1.211 0.024 1.15e-02 7.56e+03 4.50e+00 bond pdb=" C LYS Q 59 " pdb=" O LYS Q 59 " ideal model delta sigma weight residual 1.235 1.213 0.022 1.15e-02 7.56e+03 3.70e+00 bond pdb=" CA LYS e 59 " pdb=" CB LYS e 59 " ideal model delta sigma weight residual 1.526 1.548 -0.023 1.25e-02 6.40e+03 3.32e+00 bond pdb=" C LYS m 59 " pdb=" O LYS m 59 " ideal model delta sigma weight residual 1.235 1.215 0.021 1.15e-02 7.56e+03 3.22e+00 bond pdb=" C LYS i 59 " pdb=" O LYS i 59 " ideal model delta sigma weight residual 1.235 1.215 0.021 1.15e-02 7.56e+03 3.19e+00 ... (remaining 124435 not shown) Histogram of bond angle deviations from ideal: 101.00 - 107.64: 5108 107.64 - 114.28: 72930 114.28 - 120.92: 53156 120.92 - 127.56: 37248 127.56 - 134.20: 1238 Bond angle restraints: 169680 Sorted by residual: angle pdb=" N LYS T 59 " pdb=" CA LYS T 59 " pdb=" C LYS T 59 " ideal model delta sigma weight residual 109.15 116.41 -7.26 1.44e+00 4.82e-01 2.54e+01 angle pdb=" N LYS q 59 " pdb=" CA LYS q 59 " pdb=" C LYS q 59 " ideal model delta sigma weight residual 109.15 114.44 -5.29 1.44e+00 4.82e-01 1.35e+01 angle pdb=" N LYS 0 59 " pdb=" CA LYS 0 59 " pdb=" C LYS 0 59 " ideal model delta sigma weight residual 109.15 114.11 -4.96 1.44e+00 4.82e-01 1.18e+01 angle pdb=" N LYS N 59 " pdb=" CA LYS N 59 " pdb=" C LYS N 59 " ideal model delta sigma weight residual 109.15 114.05 -4.90 1.44e+00 4.82e-01 1.16e+01 angle pdb=" N LYS L 59 " pdb=" CA LYS L 59 " pdb=" C LYS L 59 " ideal model delta sigma weight residual 109.15 114.03 -4.88 1.44e+00 4.82e-01 1.15e+01 ... (remaining 169675 not shown) Histogram of dihedral angle deviations from ideal: 0.00 - 12.01: 64583 12.01 - 24.02: 7312 24.02 - 36.03: 1905 36.03 - 48.04: 1020 48.04 - 60.05: 240 Dihedral angle restraints: 75060 sinusoidal: 28980 harmonic: 46080 Sorted by residual: dihedral pdb=" CA ASP Q 166 " pdb=" CB ASP Q 166 " pdb=" CG ASP Q 166 " pdb=" OD1 ASP Q 166 " ideal model delta sinusoidal sigma weight residual -30.00 -86.84 56.84 1 2.00e+01 2.50e-03 1.09e+01 dihedral pdb=" CA ASP A 166 " pdb=" CB ASP A 166 " pdb=" CG ASP A 166 " pdb=" OD1 ASP A 166 " ideal model delta sinusoidal sigma weight residual -30.00 -86.81 56.81 1 2.00e+01 2.50e-03 1.09e+01 dihedral pdb=" CA ASP U 166 " pdb=" CB ASP U 166 " pdb=" CG ASP U 166 " pdb=" OD1 ASP U 166 " ideal model delta sinusoidal sigma weight residual -30.00 -86.80 56.80 1 2.00e+01 2.50e-03 1.09e+01 ... (remaining 75057 not shown) Histogram of chiral volume deviations from ideal: 0.000 - 0.026: 11435 0.026 - 0.052: 4845 0.052 - 0.078: 2056 0.078 - 0.104: 824 0.104 - 0.130: 640 Chirality restraints: 19800 Sorted by residual: chirality pdb=" CA ILE V 203 " pdb=" N ILE V 203 " pdb=" C ILE V 203 " pdb=" CB ILE V 203 " both_signs ideal model delta sigma weight residual False 2.43 2.56 -0.13 2.00e-01 2.50e+01 4.21e-01 chirality pdb=" CA ILE n 203 " pdb=" N ILE n 203 " pdb=" C ILE n 203 " pdb=" CB ILE n 203 " both_signs ideal model delta sigma weight residual False 2.43 2.56 -0.13 2.00e-01 2.50e+01 4.20e-01 chirality pdb=" CA ILE G 203 " pdb=" N ILE G 203 " pdb=" C ILE G 203 " pdb=" CB ILE G 203 " both_signs ideal model delta sigma weight residual False 2.43 2.56 -0.13 2.00e-01 2.50e+01 4.19e-01 ... (remaining 19797 not shown) Planarity restraints: 22200 Sorted by residual: delta sigma weight rms_deltas residual plane pdb=" CA LYS U 59 " -0.007 2.00e-02 2.50e+03 1.36e-02 1.85e+00 pdb=" C LYS U 59 " 0.024 2.00e-02 2.50e+03 pdb=" O LYS U 59 " -0.009 2.00e-02 2.50e+03 pdb=" N ALA U 60 " -0.008 2.00e-02 2.50e+03 delta sigma weight rms_deltas residual plane pdb=" CA LYS s 59 " 0.007 2.00e-02 2.50e+03 1.33e-02 1.78e+00 pdb=" C LYS s 59 " -0.023 2.00e-02 2.50e+03 pdb=" O LYS s 59 " 0.009 2.00e-02 2.50e+03 pdb=" N ALA s 60 " 0.008 2.00e-02 2.50e+03 delta sigma weight rms_deltas residual plane pdb=" CA LYS x 59 " 0.007 2.00e-02 2.50e+03 1.33e-02 1.77e+00 pdb=" C LYS x 59 " -0.023 2.00e-02 2.50e+03 pdb=" O LYS x 59 " 0.009 2.00e-02 2.50e+03 pdb=" N ALA x 60 " 0.008 2.00e-02 2.50e+03 ... (remaining 22197 not shown) Histogram of nonbonded interaction distances: 2.39 - 2.89: 46902 2.89 - 3.39: 116012 3.39 - 3.90: 221729 3.90 - 4.40: 251400 4.40 - 4.90: 422662 Nonbonded interactions: 1058705 Sorted by model distance: nonbonded pdb=" OG1 THR t 83 " pdb=" OG1 THR t 241 " model vdw 2.388 2.440 nonbonded pdb=" OG1 THR j 83 " pdb=" OG1 THR j 241 " model vdw 2.388 2.440 nonbonded pdb=" OG1 THR I 83 " pdb=" OG1 THR I 241 " model vdw 2.388 2.440 nonbonded pdb=" OG1 THR u 83 " pdb=" OG1 THR u 241 " model vdw 2.388 2.440 nonbonded pdb=" OG1 THR R 83 " pdb=" OG1 THR R 241 " model vdw 2.388 2.440 ... (remaining 1058700 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 'A' selection = chain 'B' selection = chain 'C' selection = chain 'D' selection = chain 'E' selection = chain 'F' selection = chain 'G' selection = chain 'H' selection = chain 'I' selection = chain 'J' selection = chain 'K' selection = chain 'L' selection = chain 'M' selection = chain 'N' selection = chain 'O' selection = chain 'P' selection = chain 'Q' selection = chain 'R' selection = chain 'S' selection = chain 'T' selection = chain 'U' selection = chain 'V' selection = chain 'W' selection = chain 'X' selection = chain 'Y' selection = chain 'Z' selection = chain 'a' selection = chain 'b' selection = chain 'c' selection = chain 'd' selection = chain 'e' selection = chain 'f' selection = chain 'g' selection = chain 'h' selection = chain 'i' selection = chain 'j' selection = chain 'k' selection = chain 'l' selection = chain 'm' selection = chain 'n' selection = chain 'o' selection = chain 'p' selection = chain 'q' selection = chain 'r' selection = chain 's' selection = chain 't' selection = chain 'u' selection = chain 'v' selection = chain 'w' selection = chain 'x' selection = chain 'y' selection = chain 'z' } Set up NCS constraints No NCS constraints will be used in refinement. Set refine NCS operators Adjust number of macro_cycles Number of macro_cycles: 10 Reset NCS operators Extract rigid body selections Check and reset occupancies Occupancies: min=1.00 max=1.00 mean=1.00 Load rotamer database and sin/cos tables Set ADP refinement strategy ADPs will be refined as individual isotropic Make a string to write initial .geo file Internal consistency checks Time: Set random seed: 0.000 Set model cs if undefined: 0.000 Decide on map wrapping: 0.000 Normalize map: mean=0, sd=1: 3.050 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: 0.100 Extract box with map and model: 18.330 Check model and map are aligned: 1.300 Set scattering table: 0.830 Process input model: 266.540 Find NCS groups from input model: 6.490 Set up NCS constraints: 1.650 Set refine NCS operators: 0.000 Adjust number of macro_cycles: 0.000 Reset NCS operators: 0.000 Extract rigid body selections: 0.000 Check and reset occupancies: 0.020 Load rotamer database and sin/cos tables:9.260 Set ADP refinement strategy: 0.000 Make a string to write initial .geo file:0.000 Internal consistency checks: 0.000 Total: 307.570 ------------------------------------------------------------------------------- Set refinement monitor ********************** ------------------------------------------------------------------------------- Setup refinement engine *********************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8411 moved from start: 0.0000 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.024 124440 Z= 0.210 Angle : 0.493 7.295 169680 Z= 0.268 Chirality : 0.041 0.130 19800 Planarity : 0.003 0.027 22200 Dihedral : 12.642 60.046 45300 Min Nonbonded Distance : 2.388 Molprobity Statistics. All-atom Clashscore : 8.00 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.28 % Favored : 97.72 % Rotamer: Outliers : 0.00 % Allowed : 5.50 % Favored : 94.50 % 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: 2.07 (0.07), residues: 15780 helix: 2.30 (0.07), residues: 5340 sheet: 0.97 (0.08), residues: 4260 loop : 1.00 (0.09), residues: 6180 *********************** REFINEMENT MACRO_CYCLE 1 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 31560 Ramachandran restraints generated. 15780 Oldfield, 0 Emsley, 15780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 31560 Ramachandran restraints generated. 15780 Oldfield, 0 Emsley, 15780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 2240 residues out of total 13080 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 2240 time to evaluate : 10.423 Fit side-chains outliers start: 0 outliers final: 0 residues processed: 2240 average time/residue: 2.1692 time to fit residues: 6544.5352 Evaluate side-chains 1399 residues out of total 13080 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 1399 time to evaluate : 10.284 Switching outliers to nearest non-outliers outliers start: 0 outliers final: 0 residues processed: 0 time to fit residues: 13.6559 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=5.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1560 random chunks: chunk 1317 optimal weight: 7.9990 chunk 1182 optimal weight: 0.3980 chunk 656 optimal weight: 0.9990 chunk 403 optimal weight: 8.9990 chunk 797 optimal weight: 10.0000 chunk 631 optimal weight: 5.9990 chunk 1222 optimal weight: 2.9990 chunk 473 optimal weight: 2.9990 chunk 743 optimal weight: 6.9990 chunk 910 optimal weight: 0.7980 chunk 1416 optimal weight: 2.9990 overall best weight: 1.6386 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 87 ASN A 225 GLN B 87 ASN C 225 GLN D 87 ASN D 155 GLN D 196 ASN E 225 GLN G 87 ASN G 155 GLN G 196 ASN H 87 ASN H 155 GLN I 155 GLN I 225 GLN J 87 ASN J 225 GLN L 87 ASN L 155 GLN M 155 GLN M 225 GLN N 87 ASN N 155 GLN N 196 ASN O 225 GLN P 87 ASN P 155 GLN P 196 ASN Q 225 GLN S 87 ASN U 87 ASN V 87 ASN V 155 GLN V 196 ASN W 225 GLN X 87 ASN X 155 GLN Y 225 GLN Z 225 GLN a 87 ASN c 87 ASN c 155 GLN c 196 ASN d 87 ASN d 225 GLN f 87 ASN f 155 GLN g 87 ASN g 155 GLN g 196 ASN h 225 GLN i 87 ASN i 155 GLN i 196 ASN j 225 GLN k 87 ASN k 155 GLN m 87 ASN m 225 GLN n 225 GLN o 87 ASN o 155 GLN p 87 ASN p 155 GLN p 196 ASN s 87 ASN s 155 GLN u 225 GLN v 87 ASN v 155 GLN v 196 ASN w 225 GLN x 225 GLN y 87 ASN y 155 GLN z 87 ASN z 155 GLN z 196 ASN 0 225 GLN 2 87 ASN 3 87 ASN 3 155 GLN 3 196 ASN 4 225 GLN 5 87 ASN 5 155 GLN Total number of N/Q/H flips: 86 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8484 moved from start: 0.1580 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.025 124440 Z= 0.186 Angle : 0.466 4.630 169680 Z= 0.241 Chirality : 0.040 0.138 19800 Planarity : 0.003 0.030 22200 Dihedral : 3.850 16.691 17460 Min Nonbonded Distance : 2.126 Molprobity Statistics. All-atom Clashscore : 5.35 Ramachandran Plot: Outliers : 0.00 % Allowed : 1.41 % Favored : 98.59 % Rotamer: Outliers : 1.77 % Allowed : 13.46 % Favored : 84.77 % 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: 1.82 (0.07), residues: 15780 helix: 2.12 (0.07), residues: 5400 sheet: 0.65 (0.08), residues: 4680 loop : 1.01 (0.10), residues: 5700 *********************** REFINEMENT MACRO_CYCLE 2 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 31560 Ramachandran restraints generated. 15780 Oldfield, 0 Emsley, 15780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 31560 Ramachandran restraints generated. 15780 Oldfield, 0 Emsley, 15780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1815 residues out of total 13080 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 232 poor density : 1583 time to evaluate : 10.540 Fit side-chains outliers start: 232 outliers final: 105 residues processed: 1612 average time/residue: 1.9615 time to fit residues: 4407.4685 Evaluate side-chains 1578 residues out of total 13080 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 105 poor density : 1473 time to evaluate : 10.353 Switching outliers to nearest non-outliers outliers start: 105 outliers final: 4 residues processed: 101 average time/residue: 1.0642 time to fit residues: 199.1470 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1560 random chunks: chunk 787 optimal weight: 5.9990 chunk 439 optimal weight: 8.9990 chunk 1179 optimal weight: 10.0000 chunk 964 optimal weight: 4.9990 chunk 390 optimal weight: 10.0000 chunk 1419 optimal weight: 4.9990 chunk 1533 optimal weight: 10.0000 chunk 1263 optimal weight: 0.8980 chunk 1407 optimal weight: 0.0020 chunk 483 optimal weight: 9.9990 chunk 1138 optimal weight: 0.1980 overall best weight: 2.2192 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 225 GLN D 2 ASN D 155 GLN E 225 GLN F 155 GLN G 2 ASN G 155 GLN J 225 GLN L 155 GLN M 225 GLN N 155 GLN O 225 GLN P 155 GLN Q 225 GLN T 155 GLN V 155 GLN W 225 GLN Y 225 GLN Z 225 GLN b 155 GLN c 155 GLN d 225 GLN g 2 ASN g 155 GLN i 2 ASN i 155 GLN j 225 GLN k 155 GLN m 225 GLN n 225 GLN o 155 GLN p 2 ASN p 155 GLN s 155 GLN v 2 ASN v 155 GLN w 225 GLN y 155 GLN z 155 GLN 0 225 GLN 3 155 GLN 5 155 GLN 6 155 GLN Total number of N/Q/H flips: 43 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8508 moved from start: 0.1775 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.023 124440 Z= 0.228 Angle : 0.480 4.767 169680 Z= 0.248 Chirality : 0.041 0.140 19800 Planarity : 0.004 0.030 22200 Dihedral : 3.986 17.877 17460 Min Nonbonded Distance : 2.133 Molprobity Statistics. All-atom Clashscore : 5.05 Ramachandran Plot: Outliers : 0.00 % Allowed : 1.49 % Favored : 98.51 % Rotamer: Outliers : 1.76 % Allowed : 14.92 % Favored : 83.33 % 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: 1.75 (0.07), residues: 15780 helix: 1.94 (0.07), residues: 5400 sheet: 0.66 (0.08), residues: 4680 loop : 1.07 (0.09), residues: 5700 *********************** REFINEMENT MACRO_CYCLE 3 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 31560 Ramachandran restraints generated. 15780 Oldfield, 0 Emsley, 15780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 31560 Ramachandran restraints generated. 15780 Oldfield, 0 Emsley, 15780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1691 residues out of total 13080 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 230 poor density : 1461 time to evaluate : 10.484 Fit side-chains outliers start: 230 outliers final: 131 residues processed: 1549 average time/residue: 2.0099 time to fit residues: 4318.7332 Evaluate side-chains 1529 residues out of total 13080 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 131 poor density : 1398 time to evaluate : 10.390 Switching outliers to nearest non-outliers outliers start: 131 outliers final: 50 residues processed: 81 average time/residue: 1.1270 time to fit residues: 168.0106 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1560 random chunks: chunk 1402 optimal weight: 8.9990 chunk 1067 optimal weight: 0.8980 chunk 736 optimal weight: 7.9990 chunk 157 optimal weight: 3.9990 chunk 677 optimal weight: 4.9990 chunk 952 optimal weight: 9.9990 chunk 1424 optimal weight: 6.9990 chunk 1507 optimal weight: 3.9990 chunk 744 optimal weight: 9.9990 chunk 1349 optimal weight: 0.9980 chunk 406 optimal weight: 9.9990 overall best weight: 2.9786 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 225 GLN B 155 GLN C 225 GLN D 155 GLN E 225 GLN F 155 GLN G 155 GLN H 155 GLN I 225 GLN J 225 GLN K 155 GLN L 155 GLN M 225 GLN N 155 GLN O 225 GLN P 155 GLN Q 225 GLN S 155 GLN T 63 ASN V 155 GLN W 225 GLN X 155 GLN Y 225 GLN Z 225 GLN a 155 GLN b 155 GLN c 155 GLN d 225 GLN e 155 GLN f 155 GLN g 155 GLN h 225 GLN i 155 GLN j 225 GLN k 155 GLN l 155 GLN m 225 GLN n 225 GLN o 155 GLN p 155 GLN p 196 ASN q 225 GLN r 63 ASN s 155 GLN t 155 GLN u 225 GLN v 155 GLN w 225 GLN x 225 GLN z 155 GLN 0 225 GLN 1 155 GLN 3 155 GLN 4 225 GLN 5 155 GLN 6 155 GLN Total number of N/Q/H flips: 56 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8525 moved from start: 0.1922 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.029 124440 Z= 0.289 Angle : 0.512 5.909 169680 Z= 0.265 Chirality : 0.043 0.141 19800 Planarity : 0.004 0.034 22200 Dihedral : 4.191 18.550 17460 Min Nonbonded Distance : 2.097 Molprobity Statistics. All-atom Clashscore : 5.25 Ramachandran Plot: Outliers : 0.00 % Allowed : 1.51 % Favored : 98.49 % Rotamer: Outliers : 2.62 % Allowed : 15.59 % Favored : 81.79 % 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: 1.73 (0.07), residues: 15780 helix: 1.70 (0.07), residues: 5400 sheet: 1.04 (0.08), residues: 4320 loop : 0.91 (0.09), residues: 6060 *********************** REFINEMENT MACRO_CYCLE 4 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 31560 Ramachandran restraints generated. 15780 Oldfield, 0 Emsley, 15780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 31560 Ramachandran restraints generated. 15780 Oldfield, 0 Emsley, 15780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1750 residues out of total 13080 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 343 poor density : 1407 time to evaluate : 10.492 Fit side-chains outliers start: 343 outliers final: 146 residues processed: 1563 average time/residue: 2.0393 time to fit residues: 4409.5939 Evaluate side-chains 1548 residues out of total 13080 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 146 poor density : 1402 time to evaluate : 10.103 Switching outliers to nearest non-outliers outliers start: 146 outliers final: 62 residues processed: 84 average time/residue: 1.1712 time to fit residues: 177.5316 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=3.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1560 random chunks: chunk 1255 optimal weight: 5.9990 chunk 855 optimal weight: 5.9990 chunk 21 optimal weight: 4.9990 chunk 1122 optimal weight: 4.9990 chunk 622 optimal weight: 1.9990 chunk 1286 optimal weight: 1.9990 chunk 1042 optimal weight: 0.8980 chunk 1 optimal weight: 3.9990 chunk 769 optimal weight: 0.7980 chunk 1353 optimal weight: 2.9990 chunk 380 optimal weight: 9.9990 overall best weight: 1.7386 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 225 GLN B 155 GLN C 225 GLN D 155 GLN E 225 GLN F 63 ASN G 155 GLN H 155 GLN I 225 GLN J 225 GLN K 63 ASN L 155 GLN N 155 GLN P 155 GLN Q 225 GLN S 155 GLN T 63 ASN V 155 GLN X 155 GLN Y 225 GLN a 155 GLN c 155 GLN d 225 GLN f 155 GLN g 155 GLN h 225 GLN i 155 GLN j 225 GLN k 155 GLN l 63 ASN m 225 GLN o 155 GLN p 155 GLN p 196 ASN q 225 GLN r 63 ASN s 155 GLN t 63 ASN u 225 GLN v 155 GLN w 225 GLN x 225 GLN y 155 GLN z 155 GLN 0 225 GLN 1 63 ASN 3 155 GLN 4 225 GLN 5 155 GLN 7 63 ASN Total number of N/Q/H flips: 50 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8501 moved from start: 0.1951 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.022 124440 Z= 0.189 Angle : 0.461 6.302 169680 Z= 0.236 Chirality : 0.040 0.137 19800 Planarity : 0.003 0.031 22200 Dihedral : 3.960 18.124 17460 Min Nonbonded Distance : 2.124 Molprobity Statistics. All-atom Clashscore : 5.80 Ramachandran Plot: Outliers : 0.00 % Allowed : 1.22 % Favored : 98.78 % Rotamer: Outliers : 1.61 % Allowed : 16.44 % Favored : 81.95 % 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: 1.84 (0.07), residues: 15780 helix: 1.91 (0.07), residues: 5400 sheet: 0.98 (0.08), residues: 4320 loop : 0.94 (0.09), residues: 6060 *********************** REFINEMENT MACRO_CYCLE 5 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 31560 Ramachandran restraints generated. 15780 Oldfield, 0 Emsley, 15780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 31560 Ramachandran restraints generated. 15780 Oldfield, 0 Emsley, 15780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1683 residues out of total 13080 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 211 poor density : 1472 time to evaluate : 10.464 Fit side-chains outliers start: 211 outliers final: 134 residues processed: 1560 average time/residue: 1.9990 time to fit residues: 4330.1162 Evaluate side-chains 1544 residues out of total 13080 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 134 poor density : 1410 time to evaluate : 10.383 Switching outliers to nearest non-outliers outliers start: 134 outliers final: 46 residues processed: 88 average time/residue: 1.0062 time to fit residues: 166.2930 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=3.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1560 random chunks: chunk 507 optimal weight: 10.0000 chunk 1357 optimal weight: 5.9990 chunk 298 optimal weight: 7.9990 chunk 885 optimal weight: 0.9990 chunk 372 optimal weight: 3.9990 chunk 1509 optimal weight: 0.9990 chunk 1252 optimal weight: 2.9990 chunk 698 optimal weight: 5.9990 chunk 125 optimal weight: 5.9990 chunk 499 optimal weight: 6.9990 chunk 792 optimal weight: 3.9990 overall best weight: 2.5990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 225 GLN B 155 GLN C 225 GLN D 155 GLN D 196 ASN E 225 GLN F 63 ASN G 155 GLN H 155 GLN J 225 GLN K 63 ASN L 155 GLN N 155 GLN P 155 GLN Q 225 GLN R 63 ASN S 155 GLN T 63 ASN V 155 GLN X 155 GLN Y 225 GLN a 155 GLN c 155 GLN d 225 GLN e 63 ASN f 155 GLN g 155 GLN h 225 GLN i 155 GLN k 155 GLN l 63 ASN m 225 GLN o 155 GLN p 155 GLN p 196 ASN q 225 GLN r 63 ASN s 155 GLN t 63 ASN v 155 GLN w 225 GLN y 155 GLN z 155 GLN 0 225 GLN 1 63 ASN 3 155 GLN 4 225 GLN 5 155 GLN 7 63 ASN Total number of N/Q/H flips: 49 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8520 moved from start: 0.2001 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.027 124440 Z= 0.259 Angle : 0.496 5.726 169680 Z= 0.255 Chirality : 0.042 0.141 19800 Planarity : 0.004 0.034 22200 Dihedral : 4.131 18.947 17460 Min Nonbonded Distance : 2.098 Molprobity Statistics. All-atom Clashscore : 5.67 Ramachandran Plot: Outliers : 0.00 % Allowed : 1.51 % Favored : 98.49 % Rotamer: Outliers : 2.06 % Allowed : 16.05 % Favored : 81.90 % 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: 1.68 (0.07), residues: 15780 helix: 1.74 (0.07), residues: 5400 sheet: 0.94 (0.08), residues: 4320 loop : 0.86 (0.09), residues: 6060 *********************** REFINEMENT MACRO_CYCLE 6 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 31560 Ramachandran restraints generated. 15780 Oldfield, 0 Emsley, 15780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 31560 Ramachandran restraints generated. 15780 Oldfield, 0 Emsley, 15780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1684 residues out of total 13080 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 269 poor density : 1415 time to evaluate : 10.546 Fit side-chains outliers start: 269 outliers final: 169 residues processed: 1536 average time/residue: 2.0188 time to fit residues: 4316.7210 Evaluate side-chains 1557 residues out of total 13080 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 169 poor density : 1388 time to evaluate : 10.359 Switching outliers to nearest non-outliers outliers start: 169 outliers final: 84 residues processed: 85 average time/residue: 1.2201 time to fit residues: 183.9548 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=2.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1560 random chunks: chunk 1455 optimal weight: 0.8980 chunk 170 optimal weight: 6.9990 chunk 859 optimal weight: 0.7980 chunk 1102 optimal weight: 0.7980 chunk 854 optimal weight: 7.9990 chunk 1270 optimal weight: 0.7980 chunk 842 optimal weight: 3.9990 chunk 1503 optimal weight: 0.0470 chunk 940 optimal weight: 10.0000 chunk 916 optimal weight: 0.9980 chunk 694 optimal weight: 2.9990 overall best weight: 0.6678 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: B 155 GLN D 155 GLN F 63 ASN G 155 GLN I 225 GLN K 63 ASN N 155 GLN P 155 GLN R 63 ASN S 155 GLN T 63 ASN V 155 GLN a 155 GLN b 63 ASN c 155 GLN e 63 ASN f 155 GLN g 155 GLN i 155 GLN j 225 GLN k 155 GLN l 63 ASN p 155 GLN p 196 ASN r 63 ASN t 63 ASN u 225 GLN v 155 GLN x 225 GLN z 155 GLN 1 63 ASN 3 155 GLN 6 63 ASN 7 63 ASN Total number of N/Q/H flips: 34 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8458 moved from start: 0.2057 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.002 0.016 124440 Z= 0.113 Angle : 0.415 5.065 169680 Z= 0.212 Chirality : 0.039 0.131 19800 Planarity : 0.003 0.028 22200 Dihedral : 3.622 16.984 17460 Min Nonbonded Distance : 2.184 Molprobity Statistics. All-atom Clashscore : 6.53 Ramachandran Plot: Outliers : 0.00 % Allowed : 0.58 % Favored : 99.42 % Rotamer: Outliers : 1.35 % Allowed : 16.65 % Favored : 82.00 % 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: 1.83 (0.07), residues: 15780 helix: 2.23 (0.07), residues: 5400 sheet: 0.48 (0.08), residues: 4680 loop : 1.07 (0.10), residues: 5700 *********************** REFINEMENT MACRO_CYCLE 7 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 31560 Ramachandran restraints generated. 15780 Oldfield, 0 Emsley, 15780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 31560 Ramachandran restraints generated. 15780 Oldfield, 0 Emsley, 15780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1689 residues out of total 13080 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 177 poor density : 1512 time to evaluate : 10.370 Fit side-chains outliers start: 177 outliers final: 99 residues processed: 1597 average time/residue: 2.0410 time to fit residues: 4514.6338 Evaluate side-chains 1556 residues out of total 13080 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 99 poor density : 1457 time to evaluate : 10.300 Switching outliers to nearest non-outliers outliers start: 99 outliers final: 61 residues processed: 38 average time/residue: 1.1503 time to fit residues: 86.7853 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=2.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1560 random chunks: chunk 930 optimal weight: 8.9990 chunk 600 optimal weight: 7.9990 chunk 898 optimal weight: 4.9990 chunk 452 optimal weight: 0.9990 chunk 295 optimal weight: 10.0000 chunk 291 optimal weight: 9.9990 chunk 955 optimal weight: 0.9990 chunk 1024 optimal weight: 6.9990 chunk 743 optimal weight: 6.9990 chunk 140 optimal weight: 3.9990 chunk 1181 optimal weight: 7.9990 overall best weight: 3.5990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 225 GLN B 155 GLN C 225 GLN D 155 GLN D 196 ASN E 225 GLN F 63 ASN G 155 GLN I 225 GLN J 225 GLN K 63 ASN M 225 GLN N 155 GLN O 225 GLN P 155 GLN Q 225 GLN R 63 ASN T 63 ASN V 155 GLN W 225 GLN Y 225 GLN Z 225 GLN b 63 ASN c 155 GLN d 225 GLN e 63 ASN g 155 GLN h 225 GLN i 155 GLN j 225 GLN l 63 ASN m 225 GLN n 225 GLN p 155 GLN p 196 ASN r 63 ASN t 63 ASN u 225 GLN v 155 GLN w 225 GLN x 225 GLN z 155 GLN 1 63 ASN 3 155 GLN 4 225 GLN 6 63 ASN 7 63 ASN Total number of N/Q/H flips: 47 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8533 moved from start: 0.2093 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.005 0.031 124440 Z= 0.339 Angle : 0.536 6.573 169680 Z= 0.275 Chirality : 0.044 0.147 19800 Planarity : 0.004 0.036 22200 Dihedral : 4.236 18.981 17460 Min Nonbonded Distance : 2.072 Molprobity Statistics. All-atom Clashscore : 5.49 Ramachandran Plot: Outliers : 0.00 % Allowed : 1.87 % Favored : 98.13 % Rotamer: Outliers : 1.98 % Allowed : 16.77 % Favored : 81.25 % 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: 1.59 (0.07), residues: 15780 helix: 1.68 (0.07), residues: 5400 sheet: 0.89 (0.08), residues: 4320 loop : 0.80 (0.09), residues: 6060 *********************** REFINEMENT MACRO_CYCLE 8 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 31560 Ramachandran restraints generated. 15780 Oldfield, 0 Emsley, 15780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 31560 Ramachandran restraints generated. 15780 Oldfield, 0 Emsley, 15780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1654 residues out of total 13080 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 259 poor density : 1395 time to evaluate : 10.538 Fit side-chains outliers start: 259 outliers final: 149 residues processed: 1529 average time/residue: 2.0005 time to fit residues: 4279.3102 Evaluate side-chains 1542 residues out of total 13080 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 149 poor density : 1393 time to evaluate : 10.621 Switching outliers to nearest non-outliers outliers start: 149 outliers final: 106 residues processed: 43 average time/residue: 1.6212 time to fit residues: 118.5337 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1560 random chunks: chunk 1367 optimal weight: 0.9990 chunk 1440 optimal weight: 1.9990 chunk 1314 optimal weight: 5.9990 chunk 1401 optimal weight: 0.0270 chunk 843 optimal weight: 0.9990 chunk 610 optimal weight: 7.9990 chunk 1100 optimal weight: 6.9990 chunk 429 optimal weight: 2.9990 chunk 1266 optimal weight: 3.9990 chunk 1325 optimal weight: 0.9990 chunk 1396 optimal weight: 0.0970 overall best weight: 0.6242 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: D 155 GLN F 63 ASN G 155 GLN K 63 ASN K 155 GLN N 155 GLN P 155 GLN R 63 ASN T 63 ASN V 155 GLN b 63 ASN c 155 GLN e 63 ASN e 155 GLN g 155 GLN i 155 GLN l 63 ASN l 155 GLN p 155 GLN p 196 ASN q 225 GLN r 63 ASN t 2 ASN t 63 ASN v 155 GLN z 155 GLN 1 63 ASN 1 155 GLN 3 155 GLN 6 63 ASN 7 63 ASN Total number of N/Q/H flips: 31 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8458 moved from start: 0.2128 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.002 0.025 124440 Z= 0.110 Angle : 0.418 4.828 169680 Z= 0.213 Chirality : 0.039 0.133 19800 Planarity : 0.003 0.029 22200 Dihedral : 3.647 17.102 17460 Min Nonbonded Distance : 2.190 Molprobity Statistics. All-atom Clashscore : 6.79 Ramachandran Plot: Outliers : 0.00 % Allowed : 0.60 % Favored : 99.40 % Rotamer: Outliers : 1.12 % Allowed : 17.45 % Favored : 81.43 % 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: 1.79 (0.07), residues: 15780 helix: 2.21 (0.07), residues: 5400 sheet: 0.46 (0.08), residues: 4680 loop : 1.03 (0.10), residues: 5700 *********************** REFINEMENT MACRO_CYCLE 9 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 31560 Ramachandran restraints generated. 15780 Oldfield, 0 Emsley, 15780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 31560 Ramachandran restraints generated. 15780 Oldfield, 0 Emsley, 15780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1629 residues out of total 13080 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 146 poor density : 1483 time to evaluate : 10.461 Fit side-chains outliers start: 146 outliers final: 97 residues processed: 1586 average time/residue: 2.0175 time to fit residues: 4483.1990 Evaluate side-chains 1549 residues out of total 13080 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 97 poor density : 1452 time to evaluate : 10.363 Switching outliers to nearest non-outliers outliers start: 97 outliers final: 61 residues processed: 36 average time/residue: 0.8876 time to fit residues: 73.4477 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1560 random chunks: chunk 920 optimal weight: 6.9990 chunk 1481 optimal weight: 5.9990 chunk 904 optimal weight: 9.9990 chunk 702 optimal weight: 10.0000 chunk 1029 optimal weight: 0.8980 chunk 1554 optimal weight: 20.0000 chunk 1430 optimal weight: 3.9990 chunk 1237 optimal weight: 0.8980 chunk 128 optimal weight: 9.9990 chunk 955 optimal weight: 9.9990 chunk 758 optimal weight: 10.0000 overall best weight: 3.7586 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: B 155 GLN C 225 GLN D 155 GLN D 196 ASN F 63 ASN G 155 GLN H 155 GLN I 225 GLN K 63 ASN L 155 GLN M 225 GLN N 155 GLN N 196 ASN O 225 GLN P 155 GLN P 196 ASN R 63 ASN S 155 GLN T 63 ASN V 155 GLN V 196 ASN W 225 GLN Z 225 GLN b 63 ASN b 155 GLN c 155 GLN e 63 ASN f 155 GLN g 155 GLN g 196 ASN h 225 GLN i 155 GLN j 225 GLN l 63 ASN n 225 GLN o 155 GLN p 155 GLN p 196 ASN r 63 ASN t 63 ASN u 225 GLN v 155 GLN v 196 ASN x 225 GLN z 155 GLN 1 63 ASN 3 155 GLN 4 225 GLN 6 63 ASN 7 63 ASN Total number of N/Q/H flips: 50 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8534 moved from start: 0.2108 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.005 0.031 124440 Z= 0.349 Angle : 0.542 6.718 169680 Z= 0.278 Chirality : 0.044 0.148 19800 Planarity : 0.004 0.036 22200 Dihedral : 4.257 19.014 17460 Min Nonbonded Distance : 2.073 Molprobity Statistics. All-atom Clashscore : 5.71 Ramachandran Plot: Outliers : 0.00 % Allowed : 1.84 % Favored : 98.16 % Rotamer: Outliers : 0.89 % Allowed : 18.03 % Favored : 81.08 % 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: 1.55 (0.07), residues: 15780 helix: 1.65 (0.07), residues: 5400 sheet: 0.88 (0.08), residues: 4320 loop : 0.77 (0.09), residues: 6060 ********************** REFINEMENT MACRO_CYCLE 10 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 31560 Ramachandran restraints generated. 15780 Oldfield, 0 Emsley, 15780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 31560 Ramachandran restraints generated. 15780 Oldfield, 0 Emsley, 15780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1508 residues out of total 13080 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 117 poor density : 1391 time to evaluate : 10.535 Fit side-chains outliers start: 117 outliers final: 110 residues processed: 1486 average time/residue: 2.0310 time to fit residues: 4213.7277 Evaluate side-chains 1489 residues out of total 13080 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 110 poor density : 1379 time to evaluate : 10.419 Switching outliers to nearest non-outliers outliers start: 110 outliers final: 91 residues processed: 19 average time/residue: 0.9424 time to fit residues: 46.8028 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1560 random chunks: chunk 983 optimal weight: 8.9990 chunk 1318 optimal weight: 9.9990 chunk 379 optimal weight: 0.9990 chunk 1141 optimal weight: 2.9990 chunk 182 optimal weight: 8.9990 chunk 343 optimal weight: 8.9990 chunk 1239 optimal weight: 5.9990 chunk 518 optimal weight: 2.9990 chunk 1272 optimal weight: 2.9990 chunk 156 optimal weight: 7.9990 chunk 228 optimal weight: 6.9990 overall best weight: 3.1990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: D 155 GLN D 196 ASN F 63 ASN G 155 GLN G 196 ASN K 63 ASN N 155 GLN N 196 ASN P 155 GLN P 196 ASN R 63 ASN T 63 ASN T 155 GLN V 155 GLN V 196 ASN b 63 ASN c 155 GLN e 63 ASN g 155 GLN i 155 GLN l 63 ASN p 155 GLN p 196 ASN r 63 ASN r 155 GLN t 63 ASN v 155 GLN z 155 GLN 1 63 ASN 3 155 GLN 3 196 ASN 6 63 ASN 7 63 ASN Total number of N/Q/H flips: 33 ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.3320 r_free = 0.3320 target = 0.117228 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 47)----------------| | r_work = 0.3149 r_free = 0.3149 target = 0.105030 restraints weight = 142741.224| |-----------------------------------------------------------------------------| r_work (start): 0.3148 rms_B_bonded: 0.88 r_work: 0.3070 rms_B_bonded: 1.25 restraints_weight: 0.5000 r_work: 0.2973 rms_B_bonded: 2.20 restraints_weight: 0.2500 r_work (final): 0.2973 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8497 moved from start: 0.2112 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.005 0.030 124440 Z= 0.306 Angle : 0.520 6.205 169680 Z= 0.268 Chirality : 0.043 0.144 19800 Planarity : 0.004 0.035 22200 Dihedral : 4.261 19.122 17460 Min Nonbonded Distance : 2.088 Molprobity Statistics. All-atom Clashscore : 5.83 Ramachandran Plot: Outliers : 0.00 % Allowed : 0.61 % Favored : 99.39 % Rotamer: Outliers : 1.00 % Allowed : 17.97 % Favored : 81.02 % 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: 1.48 (0.07), residues: 15780 helix: 1.58 (0.07), residues: 5400 sheet: 0.83 (0.08), residues: 4320 loop : 0.75 (0.09), residues: 6060 Origin is already at (0, 0, 0), no shifts will be applied =============================================================================== Job complete usr+sys time: 57179.99 seconds wall clock time: 981 minutes 22.09 seconds (58882.09 seconds total)