Starting phenix.real_space_refine on Thu Dec 7 16:18:13 2023 by dcliebschner =============================================================================== Processing files: ------------------------------------------------------------------------------- Found model, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6j2x_9772/12_2023/6j2x_9772.pdb Found real_map, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6j2x_9772/12_2023/6j2x_9772.map Processing PHIL parameters: ------------------------------------------------------------------------------- Adding command-line PHIL: ------------------------- refinement.macro_cycles=10 scattering_table=electron resolution=3.8 write_initial_geo_file=False Final processed PHIL parameters: ------------------------------------------------------------------------------- data_manager { real_map_files = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6j2x_9772/12_2023/6j2x_9772.map" default_real_map = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6j2x_9772/12_2023/6j2x_9772.map" model { file = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6j2x_9772/12_2023/6j2x_9772.pdb" } default_model = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6j2x_9772/12_2023/6j2x_9772.pdb" } resolution = 3.8 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= 0.010 sd= 0.098 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 390 5.16 5 C 67246 2.51 5 N 17991 2.21 5 O 20549 1.98 5 sf(0) = scattering factor at diffraction angle 0. Process input model Symmetric amino acids flipped Residue "7 TYR 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B TYR 5": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F ARG 3": "NH1" <-> "NH2" Residue "Q TYR 286": "CD1" <-> "CD2" "CE1" <-> "CE2" Time to flip residues: 0.24s Monomer Library directory: "/net/cci-filer2/raid1/xp/phenix/phenix-1.21rc1-5172/modules/chem_data/mon_lib" Total number of atoms: 106176 Number of models: 1 Model: "" Number of chains: 47 Chain: "1" Number of atoms: 1576 Number of conformers: 1 Conformer: "" Number of residues, atoms: 205, 1576 Classifications: {'peptide': 205} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 4, 'TRANS': 200} Chain: "2" Number of atoms: 1684 Number of conformers: 1 Conformer: "" Number of residues, atoms: 222, 1684 Classifications: {'peptide': 222} Link IDs: {'PTRANS': 6, 'TRANS': 215} Chain: "3" Number of atoms: 1581 Number of conformers: 1 Conformer: "" Number of residues, atoms: 204, 1581 Classifications: {'peptide': 204} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'TRANS': 196} Chain: "4" Number of atoms: 1585 Number of conformers: 1 Conformer: "" Number of residues, atoms: 198, 1585 Classifications: {'peptide': 198} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'TRANS': 190} Chain: "5" Number of atoms: 1644 Number of conformers: 1 Conformer: "" Number of residues, atoms: 212, 1644 Classifications: {'peptide': 212} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 2, 'TRANS': 209} Chain: "6" Number of atoms: 1757 Number of conformers: 1 Conformer: "" Number of residues, atoms: 222, 1757 Classifications: {'peptide': 222} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'TRANS': 214} Chain: "7" Number of atoms: 1824 Number of conformers: 1 Conformer: "" Number of residues, atoms: 233, 1824 Classifications: {'peptide': 233} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 8, 'TRANS': 224} Chain: "b" Number of atoms: 1576 Number of conformers: 1 Conformer: "" Number of residues, atoms: 205, 1576 Classifications: {'peptide': 205} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 4, 'TRANS': 200} Chain: "i" Number of atoms: 1684 Number of conformers: 1 Conformer: "" Number of residues, atoms: 222, 1684 Classifications: {'peptide': 222} Link IDs: {'PTRANS': 6, 'TRANS': 215} Chain: "h" Number of atoms: 1581 Number of conformers: 1 Conformer: "" Number of residues, atoms: 204, 1581 Classifications: {'peptide': 204} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'TRANS': 196} Chain: "g" Number of atoms: 1585 Number of conformers: 1 Conformer: "" Number of residues, atoms: 198, 1585 Classifications: {'peptide': 198} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'TRANS': 190} Chain: "f" Number of atoms: 1644 Number of conformers: 1 Conformer: "" Number of residues, atoms: 212, 1644 Classifications: {'peptide': 212} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 2, 'TRANS': 209} Chain: "e" Number of atoms: 1757 Number of conformers: 1 Conformer: "" Number of residues, atoms: 222, 1757 Classifications: {'peptide': 222} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'TRANS': 214} Chain: "a" Number of atoms: 1824 Number of conformers: 1 Conformer: "" Number of residues, atoms: 233, 1824 Classifications: {'peptide': 233} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 8, 'TRANS': 224} Chain: "A" Number of atoms: 1921 Number of conformers: 1 Conformer: "" Number of residues, atoms: 243, 1921 Classifications: {'peptide': 243} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 10, 'TRANS': 232} Chain: "B" Number of atoms: 1915 Number of conformers: 1 Conformer: "" Number of residues, atoms: 250, 1915 Classifications: {'peptide': 250} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 12, 'TRANS': 237} Chain: "C" Number of atoms: 1904 Number of conformers: 1 Conformer: "" Number of residues, atoms: 244, 1904 Classifications: {'peptide': 244} Link IDs: {'PTRANS': 5, 'TRANS': 238} Chain: "D" Number of atoms: 1890 Number of conformers: 1 Conformer: "" Number of residues, atoms: 241, 1890 Classifications: {'peptide': 241} Link IDs: {'PTRANS': 10, 'TRANS': 230} Chain: "E" Number of atoms: 1861 Number of conformers: 1 Conformer: "" Number of residues, atoms: 242, 1861 Classifications: {'peptide': 242} Link IDs: {'PTRANS': 4, 'TRANS': 237} Chain: "F" Number of atoms: 1795 Number of conformers: 1 Conformer: "" Number of residues, atoms: 233, 1795 Classifications: {'peptide': 233} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 6, 'TRANS': 226} Chain: "G" Number of atoms: 1888 Number of conformers: 1 Conformer: "" Number of residues, atoms: 243, 1888 Classifications: {'peptide': 243} Link IDs: {'PTRANS': 9, 'TRANS': 233} Chain: "c" Number of atoms: 1921 Number of conformers: 1 Conformer: "" Number of residues, atoms: 243, 1921 Classifications: {'peptide': 243} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 10, 'TRANS': 232} Chain: "j" Number of atoms: 1915 Number of conformers: 1 Conformer: "" Number of residues, atoms: 250, 1915 Classifications: {'peptide': 250} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 12, 'TRANS': 237} Chain: "d" Number of atoms: 1904 Number of conformers: 1 Conformer: "" Number of residues, atoms: 244, 1904 Classifications: {'peptide': 244} Link IDs: {'PTRANS': 5, 'TRANS': 238} Chain: "n" Number of atoms: 1890 Number of conformers: 1 Conformer: "" Number of residues, atoms: 241, 1890 Classifications: {'peptide': 241} Link IDs: {'PTRANS': 10, 'TRANS': 230} Chain: "m" Number of atoms: 1861 Number of conformers: 1 Conformer: "" Number of residues, atoms: 242, 1861 Classifications: {'peptide': 242} Link IDs: {'PTRANS': 4, 'TRANS': 237} Chain: "l" Number of atoms: 1795 Number of conformers: 1 Conformer: "" Number of residues, atoms: 233, 1795 Classifications: {'peptide': 233} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 6, 'TRANS': 226} Chain: "k" Number of atoms: 1896 Number of conformers: 1 Conformer: "" Number of residues, atoms: 244, 1896 Classifications: {'peptide': 244} Link IDs: {'PTRANS': 9, 'TRANS': 234} Chain: "H" Number of atoms: 2787 Number of conformers: 1 Conformer: "" Number of residues, atoms: 355, 2787 Classifications: {'peptide': 355} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 20, 'TRANS': 334} Chain breaks: 1 Chain: "I" Number of atoms: 2822 Number of conformers: 1 Conformer: "" Number of residues, atoms: 362, 2822 Classifications: {'peptide': 362} Link IDs: {'PTRANS': 17, 'TRANS': 344} Chain: "J" Number of atoms: 2928 Number of conformers: 1 Conformer: "" Number of residues, atoms: 373, 2928 Classifications: {'peptide': 373} Link IDs: {'PTRANS': 15, 'TRANS': 357} Chain: "K" Number of atoms: 3019 Number of conformers: 1 Conformer: "" Number of residues, atoms: 381, 3019 Classifications: {'peptide': 381} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 17, 'TRANS': 363} Chain: "L" Number of atoms: 2937 Number of conformers: 1 Conformer: "" Number of residues, atoms: 371, 2937 Classifications: {'peptide': 371} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 17, 'TRANS': 353} Chain: "M" Number of atoms: 2866 Number of conformers: 1 Conformer: "" Number of residues, atoms: 367, 2866 Classifications: {'peptide': 367} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 15, 'TRANS': 351} Chain breaks: 1 Chain: "N" Number of atoms: 6562 Number of conformers: 1 Conformer: "" Number of residues, atoms: 849, 6562 Classifications: {'peptide': 849} Link IDs: {'PTRANS': 23, 'TRANS': 825} Chain breaks: 2 Chain: "O" Number of atoms: 3182 Number of conformers: 1 Conformer: "" Number of residues, atoms: 387, 3182 Classifications: {'peptide': 387} Link IDs: {'PTRANS': 9, 'TRANS': 377} Chain: "P" Number of atoms: 3545 Number of conformers: 1 Conformer: "" Number of residues, atoms: 432, 3545 Classifications: {'peptide': 432} Link IDs: {'PTRANS': 8, 'TRANS': 423} Chain: "Q" Number of atoms: 3471 Number of conformers: 1 Conformer: "" Number of residues, atoms: 431, 3471 Classifications: {'peptide': 431} Link IDs: {'PTRANS': 7, 'TRANS': 423} Chain: "R" Number of atoms: 3218 Number of conformers: 1 Conformer: "" Number of residues, atoms: 400, 3218 Classifications: {'peptide': 400} Link IDs: {'PTRANS': 6, 'TRANS': 393} Chain: "S" Number of atoms: 3894 Number of conformers: 1 Conformer: "" Number of residues, atoms: 475, 3894 Classifications: {'peptide': 475} Link IDs: {'PTRANS': 11, 'TRANS': 463} Chain: "T" Number of atoms: 2235 Number of conformers: 1 Conformer: "" Number of residues, atoms: 272, 2235 Classifications: {'peptide': 272} Link IDs: {'PTRANS': 8, 'TRANS': 263} Chain: "U" Number of atoms: 2061 Number of conformers: 1 Conformer: "" Number of residues, atoms: 255, 2061 Classifications: {'peptide': 255} Link IDs: {'PTRANS': 6, 'TRANS': 248} Chain breaks: 4 Chain: "V" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 258, 2025 Classifications: {'peptide': 258} Link IDs: {'PTRANS': 6, 'TRANS': 251} Chain breaks: 2 Chain: "W" Number of atoms: 1534 Number of conformers: 1 Conformer: "" Number of residues, atoms: 197, 1534 Classifications: {'peptide': 197} Link IDs: {'PTRANS': 8, 'TRANS': 188} Chain: "X" Number of atoms: 906 Number of conformers: 1 Conformer: "" Number of residues, atoms: 111, 906 Classifications: {'peptide': 111} Link IDs: {'PTRANS': 9, 'TRANS': 101} Chain: "Y" Number of atoms: 236 Number of conformers: 1 Conformer: "" Number of residues, atoms: 27, 236 Classifications: {'peptide': 27} Link IDs: {'TRANS': 26} Chain: "Z" Number of atoms: 6290 Number of conformers: 1 Conformer: "" Number of residues, atoms: 813, 6290 Classifications: {'peptide': 813} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 27, 'TRANS': 785} Chain breaks: 2 Time building chain proxies: 39.74, per 1000 atoms: 0.37 Number of scatterers: 106176 At special positions: 0 Unit cell: (349.27, 257.01, 231.968, 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 390 16.00 O 20549 8.00 N 17991 7.00 C 67246 6.00 sf(0) = scattering factor at diffraction angle 0. Number of disulfides: simple=1, symmetry=0 Simple disulfide: pdb=" SG CYS X 15 " - pdb=" SG CYS X 24 " distance=2.04 Automatic linking Parameters for automatic linking Linking & cutoffs Metal : Auto - 3.50 Amino acid : False - 1.90 Carbohydrate : True - 1.99 Ligands : True - 1.99 Small molecules : False - 1.98 Amino acid - RNA/DNA : False Number of custom bonds: simple=0, symmetry=0 Time building additional restraints: 27.74 Conformation dependent library (CDL) restraints added in 13.9 seconds 26766 Ramachandran restraints generated. 13383 Oldfield, 0 Emsley, 13383 emsley8k and 0 Phi/Psi/2. Adding C-beta torsion restraints... Number of C-beta restraints generated: 25224 Finding SS restraints... Secondary structure from input PDB file: 543 helices and 95 sheets defined 48.6% alpha, 11.8% beta 0 base pairs and 0 stacking pairs defined. Time for finding SS restraints: 8.74 Creating SS restraints... Processing helix chain '1' and resid 67 through 89 removed outlier: 3.606A pdb=" N LEU 1 84 " --> pdb=" O TYR 1 80 " (cutoff:3.500A) removed outlier: 3.501A pdb=" N GLN 1 88 " --> pdb=" O LEU 1 84 " (cutoff:3.500A) Processing helix chain '1' and resid 93 through 108 removed outlier: 3.622A pdb=" N VAL 1 100 " --> pdb=" O THR 1 96 " (cutoff:3.500A) removed outlier: 3.884A pdb=" N PHE 1 101 " --> pdb=" O ALA 1 97 " (cutoff:3.500A) removed outlier: 3.542A pdb=" N LYS 1 102 " --> pdb=" O ALA 1 98 " (cutoff:3.500A) removed outlier: 3.619A pdb=" N GLU 1 107 " --> pdb=" O GLU 1 103 " (cutoff:3.500A) Processing helix chain '1' and resid 148 through 152 removed outlier: 3.640A pdb=" N PHE 1 152 " --> pdb=" O GLY 1 149 " (cutoff:3.500A) Processing helix chain '1' and resid 153 through 160 removed outlier: 3.559A pdb=" N ASP 1 158 " --> pdb=" O TYR 1 154 " (cutoff:3.500A) removed outlier: 3.659A pdb=" N LYS 1 159 " --> pdb=" O GLY 1 155 " (cutoff:3.500A) Processing helix chain '1' and resid 166 through 184 removed outlier: 3.598A pdb=" N GLN 1 180 " --> pdb=" O HIS 1 176 " (cutoff:3.500A) Processing helix chain '1' and resid 208 through 213 removed outlier: 3.703A pdb=" N TYR 1 212 " --> pdb=" O TYR 1 208 " (cutoff:3.500A) removed outlier: 3.936A pdb=" N GLU 1 213 " --> pdb=" O PRO 1 209 " (cutoff:3.500A) No H-bonds generated for 'chain '1' and resid 208 through 213' Processing helix chain '2' and resid 77 through 100 removed outlier: 3.741A pdb=" N THR 2 81 " --> pdb=" O THR 2 77 " (cutoff:3.500A) removed outlier: 3.653A pdb=" N ALA 2 83 " --> pdb=" O ALA 2 79 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N THR 2 85 " --> pdb=" O THR 2 81 " (cutoff:3.500A) removed outlier: 4.596A pdb=" N GLN 2 86 " --> pdb=" O GLU 2 82 " (cutoff:3.500A) Processing helix chain '2' and resid 104 through 119 removed outlier: 3.500A pdb=" N GLN 2 110 " --> pdb=" O VAL 2 106 " (cutoff:3.500A) removed outlier: 3.515A pdb=" N MET 2 111 " --> pdb=" O SER 2 107 " (cutoff:3.500A) removed outlier: 3.555A pdb=" N GLN 2 114 " --> pdb=" O GLN 2 110 " (cutoff:3.500A) removed outlier: 3.515A pdb=" N HIS 2 115 " --> pdb=" O MET 2 111 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N LEU 2 116 " --> pdb=" O LEU 2 112 " (cutoff:3.500A) removed outlier: 3.594A pdb=" N PHE 2 117 " --> pdb=" O LYS 2 113 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N TYR 2 119 " --> pdb=" O HIS 2 115 " (cutoff:3.500A) Processing helix chain '2' and resid 159 through 171 removed outlier: 3.554A pdb=" N ALA 2 165 " --> pdb=" O LEU 2 161 " (cutoff:3.500A) removed outlier: 4.012A pdb=" N VAL 2 166 " --> pdb=" O ALA 2 162 " (cutoff:3.500A) removed outlier: 3.516A pdb=" N LEU 2 167 " --> pdb=" O ALA 2 163 " (cutoff:3.500A) Processing helix chain '2' and resid 176 through 195 removed outlier: 3.507A pdb=" N ILE 2 188 " --> pdb=" O ALA 2 184 " (cutoff:3.500A) Processing helix chain '3' and resid 3 through 7 removed outlier: 3.535A pdb=" N ILE 3 7 " --> pdb=" O PRO 3 4 " (cutoff:3.500A) Processing helix chain '3' and resid 56 through 79 removed outlier: 3.968A pdb=" N GLU 3 65 " --> pdb=" O THR 3 61 " (cutoff:3.500A) removed outlier: 3.712A pdb=" N ARG 3 68 " --> pdb=" O ASN 3 64 " (cutoff:3.500A) removed outlier: 3.530A pdb=" N LYS 3 70 " --> pdb=" O MET 3 66 " (cutoff:3.500A) removed outlier: 3.519A pdb=" N LEU 3 73 " --> pdb=" O TYR 3 69 " (cutoff:3.500A) removed outlier: 3.724A pdb=" N LYS 3 77 " --> pdb=" O LEU 3 73 " (cutoff:3.500A) removed outlier: 3.566A pdb=" N GLU 3 78 " --> pdb=" O TYR 3 74 " (cutoff:3.500A) Processing helix chain '3' and resid 83 through 97 removed outlier: 3.799A pdb=" N GLN 3 89 " --> pdb=" O GLU 3 85 " (cutoff:3.500A) removed outlier: 3.502A pdb=" N SER 3 92 " --> pdb=" O THR 3 88 " (cutoff:3.500A) removed outlier: 3.603A pdb=" N SER 3 93 " --> pdb=" O GLN 3 89 " (cutoff:3.500A) Processing helix chain '3' and resid 142 through 154 removed outlier: 4.016A pdb=" N LEU 3 146 " --> pdb=" O ALA 3 142 " (cutoff:3.500A) removed outlier: 4.263A pdb=" N GLY 3 148 " --> pdb=" O ASP 3 144 " (cutoff:3.500A) removed outlier: 3.571A pdb=" N GLU 3 151 " --> pdb=" O PHE 3 147 " (cutoff:3.500A) removed outlier: 4.056A pdb=" N SER 3 152 " --> pdb=" O GLY 3 148 " (cutoff:3.500A) Processing helix chain '3' and resid 159 through 176 removed outlier: 3.736A pdb=" N PHE 3 164 " --> pdb=" O PRO 3 160 " (cutoff:3.500A) removed outlier: 4.029A pdb=" N GLU 3 165 " --> pdb=" O GLU 3 161 " (cutoff:3.500A) removed outlier: 3.776A pdb=" N ASN 3 173 " --> pdb=" O GLN 3 169 " (cutoff:3.500A) removed outlier: 4.330A pdb=" N ALA 3 174 " --> pdb=" O ALA 3 170 " (cutoff:3.500A) Processing helix chain '4' and resid 50 through 71 removed outlier: 4.552A pdb=" N VAL 4 54 " --> pdb=" O ALA 4 50 " (cutoff:3.500A) removed outlier: 4.504A pdb=" N GLN 4 55 " --> pdb=" O GLY 4 51 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N PHE 4 56 " --> pdb=" O ASP 4 52 " (cutoff:3.500A) removed outlier: 3.537A pdb=" N GLU 4 58 " --> pdb=" O VAL 4 54 " (cutoff:3.500A) removed outlier: 3.638A pdb=" N TYR 4 59 " --> pdb=" O GLN 4 55 " (cutoff:3.500A) removed outlier: 3.863A pdb=" N ILE 4 60 " --> pdb=" O PHE 4 56 " (cutoff:3.500A) removed outlier: 3.569A pdb=" N GLN 4 61 " --> pdb=" O ALA 4 57 " (cutoff:3.500A) Processing helix chain '4' and resid 76 through 92 removed outlier: 3.606A pdb=" N SER 4 82 " --> pdb=" O GLN 4 78 " (cutoff:3.500A) removed outlier: 3.753A pdb=" N ARG 4 85 " --> pdb=" O SER 4 81 " (cutoff:3.500A) removed outlier: 3.811A pdb=" N GLN 4 86 " --> pdb=" O SER 4 82 " (cutoff:3.500A) removed outlier: 3.867A pdb=" N GLU 4 87 " --> pdb=" O PHE 4 83 " (cutoff:3.500A) Processing helix chain '4' and resid 136 through 144 removed outlier: 4.051A pdb=" N SER 4 142 " --> pdb=" O PHE 4 138 " (cutoff:3.500A) Processing helix chain '4' and resid 153 through 169 removed outlier: 3.550A pdb=" N LEU 4 158 " --> pdb=" O THR 4 154 " (cutoff:3.500A) removed outlier: 3.918A pdb=" N ASP 4 159 " --> pdb=" O GLU 4 155 " (cutoff:3.500A) removed outlier: 3.665A pdb=" N CYS 4 164 " --> pdb=" O LEU 4 160 " (cutoff:3.500A) Processing helix chain '5' and resid 128 through 146 removed outlier: 3.511A pdb=" N SER 5 136 " --> pdb=" O THR 5 132 " (cutoff:3.500A) removed outlier: 3.646A pdb=" N LEU 5 140 " --> pdb=" O SER 5 136 " (cutoff:3.500A) removed outlier: 3.659A pdb=" N HIS 5 141 " --> pdb=" O GLN 5 137 " (cutoff:3.500A) removed outlier: 3.518A pdb=" N GLU 5 145 " --> pdb=" O HIS 5 141 " (cutoff:3.500A) Processing helix chain '5' and resid 150 through 165 removed outlier: 3.704A pdb=" N LEU 5 158 " --> pdb=" O ALA 5 154 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N LEU 5 161 " --> pdb=" O ILE 5 157 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N VAL 5 162 " --> pdb=" O LEU 5 158 " (cutoff:3.500A) removed outlier: 3.668A pdb=" N TYR 5 163 " --> pdb=" O SER 5 159 " (cutoff:3.500A) Processing helix chain '5' and resid 207 through 219 removed outlier: 3.512A pdb=" N ALA 5 211 " --> pdb=" O GLY 5 207 " (cutoff:3.500A) removed outlier: 3.997A pdb=" N TYR 5 212 " --> pdb=" O GLN 5 208 " (cutoff:3.500A) removed outlier: 4.234A pdb=" N GLY 5 213 " --> pdb=" O THR 5 209 " (cutoff:3.500A) removed outlier: 4.481A pdb=" N VAL 5 214 " --> pdb=" O PHE 5 210 " (cutoff:3.500A) removed outlier: 4.872A pdb=" N SER 5 217 " --> pdb=" O GLY 5 213 " (cutoff:3.500A) Processing helix chain '5' and resid 224 through 243 removed outlier: 3.694A pdb=" N ARG 5 242 " --> pdb=" O ALA 5 238 " (cutoff:3.500A) Processing helix chain '5' and resid 268 through 277 removed outlier: 4.003A pdb=" N TRP 5 273 " --> pdb=" O GLY 5 269 " (cutoff:3.500A) Processing helix chain '6' and resid 76 through 98 removed outlier: 3.803A pdb=" N ASP 6 97 " --> pdb=" O TRP 6 93 " (cutoff:3.500A) Processing helix chain '6' and resid 108 through 118 removed outlier: 3.646A pdb=" N ILE 6 112 " --> pdb=" O ALA 6 108 " (cutoff:3.500A) Processing helix chain '6' and resid 159 through 164 removed outlier: 4.246A pdb=" N SER 6 163 " --> pdb=" O ALA 6 160 " (cutoff:3.500A) Processing helix chain '6' and resid 165 through 173 removed outlier: 3.880A pdb=" N ASP 6 170 " --> pdb=" O MET 6 166 " (cutoff:3.500A) removed outlier: 4.455A pdb=" N ASN 6 171 " --> pdb=" O PRO 6 167 " (cutoff:3.500A) removed outlier: 4.107A pdb=" N GLN 6 172 " --> pdb=" O PHE 6 168 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N VAL 6 173 " --> pdb=" O LEU 6 169 " (cutoff:3.500A) Processing helix chain '6' and resid 195 through 210 removed outlier: 3.659A pdb=" N LEU 6 202 " --> pdb=" O GLU 6 198 " (cutoff:3.500A) Processing helix chain '7' and resid 89 through 108 removed outlier: 3.948A pdb=" N HIS 7 95 " --> pdb=" O SER 7 91 " (cutoff:3.500A) Processing helix chain '7' and resid 121 through 139 removed outlier: 3.502A pdb=" N PHE 7 126 " --> pdb=" O PRO 7 122 " (cutoff:3.500A) removed outlier: 3.648A pdb=" N GLU 7 127 " --> pdb=" O SER 7 123 " (cutoff:3.500A) removed outlier: 3.570A pdb=" N TYR 7 128 " --> pdb=" O TYR 7 124 " (cutoff:3.500A) removed outlier: 3.589A pdb=" N VAL 7 132 " --> pdb=" O TYR 7 128 " (cutoff:3.500A) removed outlier: 3.614A pdb=" N ARG 7 137 " --> pdb=" O MET 7 133 " (cutoff:3.500A) Processing helix chain '7' and resid 177 through 182 Processing helix chain '7' and resid 184 through 189 Processing helix chain '7' and resid 194 through 198 removed outlier: 3.573A pdb=" N ILE 7 198 " --> pdb=" O GLU 7 195 " (cutoff:3.500A) Processing helix chain '7' and resid 202 through 221 Processing helix chain '7' and resid 252 through 258 removed outlier: 3.752A pdb=" N LYS 7 256 " --> pdb=" O ASP 7 253 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N ASP 7 257 " --> pdb=" O PHE 7 254 " (cutoff:3.500A) removed outlier: 3.534A pdb=" N ILE 7 258 " --> pdb=" O ALA 7 255 " (cutoff:3.500A) Processing helix chain 'b' and resid 67 through 89 removed outlier: 3.707A pdb=" N THR b 71 " --> pdb=" O SER b 67 " (cutoff:3.500A) removed outlier: 3.541A pdb=" N LEU b 84 " --> pdb=" O TYR b 80 " (cutoff:3.500A) Processing helix chain 'b' and resid 93 through 105 removed outlier: 3.672A pdb=" N VAL b 100 " --> pdb=" O THR b 96 " (cutoff:3.500A) removed outlier: 4.019A pdb=" N PHE b 101 " --> pdb=" O ALA b 97 " (cutoff:3.500A) removed outlier: 3.655A pdb=" N LYS b 102 " --> pdb=" O ALA b 98 " (cutoff:3.500A) removed outlier: 3.893A pdb=" N GLU b 103 " --> pdb=" O SER b 99 " (cutoff:3.500A) removed outlier: 3.664A pdb=" N LEU b 104 " --> pdb=" O VAL b 100 " (cutoff:3.500A) Processing helix chain 'b' and resid 148 through 152 removed outlier: 3.553A pdb=" N THR b 151 " --> pdb=" O SER b 148 " (cutoff:3.500A) removed outlier: 4.080A pdb=" N PHE b 152 " --> pdb=" O GLY b 149 " (cutoff:3.500A) No H-bonds generated for 'chain 'b' and resid 148 through 152' Processing helix chain 'b' and resid 155 through 160 removed outlier: 3.864A pdb=" N LYS b 159 " --> pdb=" O GLY b 155 " (cutoff:3.500A) removed outlier: 3.924A pdb=" N ASN b 160 " --> pdb=" O TYR b 156 " (cutoff:3.500A) No H-bonds generated for 'chain 'b' and resid 155 through 160' Processing helix chain 'b' and resid 166 through 185 removed outlier: 3.890A pdb=" N GLN b 180 " --> pdb=" O HIS b 176 " (cutoff:3.500A) removed outlier: 3.604A pdb=" N ALA b 181 " --> pdb=" O SER b 177 " (cutoff:3.500A) Processing helix chain 'i' and resid 77 through 100 removed outlier: 3.782A pdb=" N ASN i 91 " --> pdb=" O LEU i 87 " (cutoff:3.500A) Processing helix chain 'i' and resid 106 through 119 removed outlier: 4.099A pdb=" N GLN i 110 " --> pdb=" O VAL i 106 " (cutoff:3.500A) removed outlier: 3.996A pdb=" N MET i 111 " --> pdb=" O SER i 107 " (cutoff:3.500A) removed outlier: 3.535A pdb=" N LEU i 112 " --> pdb=" O ALA i 108 " (cutoff:3.500A) removed outlier: 3.730A pdb=" N TYR i 119 " --> pdb=" O HIS i 115 " (cutoff:3.500A) Processing helix chain 'i' and resid 159 through 165 removed outlier: 3.609A pdb=" N ALA i 165 " --> pdb=" O LEU i 161 " (cutoff:3.500A) Processing helix chain 'i' and resid 165 through 170 removed outlier: 4.127A pdb=" N SER i 169 " --> pdb=" O ALA i 165 " (cutoff:3.500A) removed outlier: 3.623A pdb=" N HIS i 170 " --> pdb=" O VAL i 166 " (cutoff:3.500A) No H-bonds generated for 'chain 'i' and resid 165 through 170' Processing helix chain 'i' and resid 176 through 194 removed outlier: 3.577A pdb=" N TRP i 193 " --> pdb=" O GLN i 189 " (cutoff:3.500A) Processing helix chain 'h' and resid 56 through 79 removed outlier: 3.798A pdb=" N GLU h 65 " --> pdb=" O THR h 61 " (cutoff:3.500A) removed outlier: 3.765A pdb=" N ARG h 68 " --> pdb=" O ASN h 64 " (cutoff:3.500A) removed outlier: 3.569A pdb=" N LYS h 70 " --> pdb=" O MET h 66 " (cutoff:3.500A) removed outlier: 3.685A pdb=" N LEU h 73 " --> pdb=" O TYR h 69 " (cutoff:3.500A) Processing helix chain 'h' and resid 83 through 96 removed outlier: 4.033A pdb=" N GLN h 89 " --> pdb=" O GLU h 85 " (cutoff:3.500A) removed outlier: 3.719A pdb=" N SER h 92 " --> pdb=" O THR h 88 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N SER h 93 " --> pdb=" O GLN h 89 " (cutoff:3.500A) Processing helix chain 'h' and resid 142 through 144 No H-bonds generated for 'chain 'h' and resid 142 through 144' Processing helix chain 'h' and resid 145 through 154 removed outlier: 4.201A pdb=" N MET h 149 " --> pdb=" O GLN h 145 " (cutoff:3.500A) removed outlier: 3.633A pdb=" N CYS h 150 " --> pdb=" O LEU h 146 " (cutoff:3.500A) removed outlier: 4.223A pdb=" N SER h 152 " --> pdb=" O GLY h 148 " (cutoff:3.500A) removed outlier: 3.828A pdb=" N LEU h 153 " --> pdb=" O MET h 149 " (cutoff:3.500A) Processing helix chain 'h' and resid 159 through 176 removed outlier: 3.747A pdb=" N GLU h 165 " --> pdb=" O GLU h 161 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASN h 173 " --> pdb=" O GLN h 169 " (cutoff:3.500A) removed outlier: 4.537A pdb=" N ALA h 174 " --> pdb=" O ALA h 170 " (cutoff:3.500A) removed outlier: 3.675A pdb=" N ASP h 176 " --> pdb=" O LEU h 172 " (cutoff:3.500A) Processing helix chain 'g' and resid 49 through 72 removed outlier: 4.538A pdb=" N VAL g 54 " --> pdb=" O ALA g 50 " (cutoff:3.500A) removed outlier: 4.177A pdb=" N GLN g 55 " --> pdb=" O GLY g 51 " (cutoff:3.500A) removed outlier: 3.715A pdb=" N PHE g 56 " --> pdb=" O ASP g 52 " (cutoff:3.500A) removed outlier: 3.610A pdb=" N ILE g 60 " --> pdb=" O PHE g 56 " (cutoff:3.500A) Processing helix chain 'g' and resid 76 through 92 removed outlier: 3.870A pdb=" N SER g 82 " --> pdb=" O GLN g 78 " (cutoff:3.500A) removed outlier: 3.883A pdb=" N PHE g 83 " --> pdb=" O ALA g 79 " (cutoff:3.500A) Processing helix chain 'g' and resid 136 through 144 removed outlier: 3.781A pdb=" N THR g 140 " --> pdb=" O SER g 136 " (cutoff:3.500A) removed outlier: 4.310A pdb=" N SER g 142 " --> pdb=" O PHE g 138 " (cutoff:3.500A) removed outlier: 3.502A pdb=" N LEU g 143 " --> pdb=" O TYR g 139 " (cutoff:3.500A) Processing helix chain 'g' and resid 153 through 169 removed outlier: 3.573A pdb=" N LEU g 158 " --> pdb=" O THR g 154 " (cutoff:3.500A) removed outlier: 3.988A pdb=" N ASP g 159 " --> pdb=" O GLU g 155 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N CYS g 164 " --> pdb=" O LEU g 160 " (cutoff:3.500A) Processing helix chain 'f' and resid 125 through 146 removed outlier: 4.687A pdb=" N GLU f 131 " --> pdb=" O CYS f 127 " (cutoff:3.500A) removed outlier: 3.521A pdb=" N SER f 136 " --> pdb=" O THR f 132 " (cutoff:3.500A) removed outlier: 3.532A pdb=" N ARG f 139 " --> pdb=" O GLY f 135 " (cutoff:3.500A) Processing helix chain 'f' and resid 150 through 165 removed outlier: 3.555A pdb=" N ALA f 154 " --> pdb=" O SER f 150 " (cutoff:3.500A) removed outlier: 3.688A pdb=" N LEU f 158 " --> pdb=" O ALA f 154 " (cutoff:3.500A) removed outlier: 3.582A pdb=" N LEU f 161 " --> pdb=" O ILE f 157 " (cutoff:3.500A) Processing helix chain 'f' and resid 207 through 219 removed outlier: 4.166A pdb=" N TYR f 212 " --> pdb=" O GLN f 208 " (cutoff:3.500A) removed outlier: 4.049A pdb=" N GLY f 213 " --> pdb=" O THR f 209 " (cutoff:3.500A) removed outlier: 4.225A pdb=" N VAL f 214 " --> pdb=" O PHE f 210 " (cutoff:3.500A) removed outlier: 3.540A pdb=" N ASP f 216 " --> pdb=" O TYR f 212 " (cutoff:3.500A) removed outlier: 5.216A pdb=" N SER f 217 " --> pdb=" O GLY f 213 " (cutoff:3.500A) removed outlier: 3.677A pdb=" N ASN f 218 " --> pdb=" O VAL f 214 " (cutoff:3.500A) Processing helix chain 'f' and resid 224 through 243 removed outlier: 3.694A pdb=" N TYR f 230 " --> pdb=" O GLU f 226 " (cutoff:3.500A) removed outlier: 3.668A pdb=" N ARG f 242 " --> pdb=" O ALA f 238 " (cutoff:3.500A) Processing helix chain 'f' and resid 268 through 277 removed outlier: 4.252A pdb=" N TRP f 273 " --> pdb=" O GLY f 269 " (cutoff:3.500A) Processing helix chain 'e' and resid 76 through 98 removed outlier: 3.544A pdb=" N LEU e 83 " --> pdb=" O ASP e 79 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N ASP e 97 " --> pdb=" O TRP e 93 " (cutoff:3.500A) Processing helix chain 'e' and resid 104 through 118 removed outlier: 3.557A pdb=" N ALA e 108 " --> pdb=" O SER e 104 " (cutoff:3.500A) removed outlier: 3.576A pdb=" N ALA e 109 " --> pdb=" O ILE e 105 " (cutoff:3.500A) removed outlier: 3.912A pdb=" N ARG e 110 " --> pdb=" O ASN e 106 " (cutoff:3.500A) removed outlier: 3.853A pdb=" N ASN e 111 " --> pdb=" O SER e 107 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N ILE e 112 " --> pdb=" O ALA e 108 " (cutoff:3.500A) removed outlier: 3.582A pdb=" N GLN e 113 " --> pdb=" O ALA e 109 " (cutoff:3.500A) removed outlier: 3.616A pdb=" N LEU e 115 " --> pdb=" O ASN e 111 " (cutoff:3.500A) Processing helix chain 'e' and resid 161 through 169 removed outlier: 3.705A pdb=" N ILE e 165 " --> pdb=" O ALA e 161 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N MET e 166 " --> pdb=" O ALA e 162 " (cutoff:3.500A) Proline residue: e 167 - end of helix No H-bonds generated for 'chain 'e' and resid 161 through 169' Processing helix chain 'e' and resid 195 through 214 removed outlier: 3.915A pdb=" N GLU e 212 " --> pdb=" O THR e 208 " (cutoff:3.500A) removed outlier: 3.815A pdb=" N ARG e 213 " --> pdb=" O SER e 209 " (cutoff:3.500A) Processing helix chain 'a' and resid 89 through 109 removed outlier: 3.640A pdb=" N HIS a 95 " --> pdb=" O SER a 91 " (cutoff:3.500A) removed outlier: 3.522A pdb=" N THR a 105 " --> pdb=" O LYS a 101 " (cutoff:3.500A) Processing helix chain 'a' and resid 121 through 139 removed outlier: 3.563A pdb=" N PHE a 126 " --> pdb=" O PRO a 122 " (cutoff:3.500A) removed outlier: 3.788A pdb=" N GLU a 127 " --> pdb=" O SER a 123 " (cutoff:3.500A) removed outlier: 3.576A pdb=" N TYR a 128 " --> pdb=" O TYR a 124 " (cutoff:3.500A) removed outlier: 3.984A pdb=" N ARG a 137 " --> pdb=" O MET a 133 " (cutoff:3.500A) removed outlier: 3.789A pdb=" N SER a 138 " --> pdb=" O TYR a 134 " (cutoff:3.500A) Processing helix chain 'a' and resid 180 through 189 removed outlier: 3.868A pdb=" N ASN a 185 " --> pdb=" O ALA a 181 " (cutoff:3.500A) Proline residue: a 186 - end of helix Processing helix chain 'a' and resid 194 through 198 removed outlier: 3.582A pdb=" N ILE a 198 " --> pdb=" O GLU a 195 " (cutoff:3.500A) Processing helix chain 'a' and resid 202 through 221 Processing helix chain 'a' and resid 252 through 256 removed outlier: 3.798A pdb=" N LYS a 256 " --> pdb=" O ASP a 253 " (cutoff:3.500A) Processing helix chain 'A' and resid 10 through 15 removed outlier: 3.766A pdb=" N ASP A 13 " --> pdb=" O ALA A 10 " (cutoff:3.500A) removed outlier: 4.050A pdb=" N ARG A 14 " --> pdb=" O GLY A 11 " (cutoff:3.500A) Processing helix chain 'A' and resid 25 through 34 removed outlier: 3.691A pdb=" N PHE A 32 " --> pdb=" O VAL A 28 " (cutoff:3.500A) removed outlier: 3.875A pdb=" N LYS A 33 " --> pdb=" O GLU A 29 " (cutoff:3.500A) Processing helix chain 'A' and resid 35 through 37 No H-bonds generated for 'chain 'A' and resid 35 through 37' Processing helix chain 'A' and resid 86 through 107 removed outlier: 3.691A pdb=" N ALA A 93 " --> pdb=" O ASP A 89 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N ARG A 96 " --> pdb=" O ASN A 92 " (cutoff:3.500A) Processing helix chain 'A' and resid 113 through 131 removed outlier: 3.690A pdb=" N LEU A 117 " --> pdb=" O PRO A 113 " (cutoff:3.500A) Processing helix chain 'A' and resid 174 through 190 removed outlier: 3.660A pdb=" N THR A 180 " --> pdb=" O GLN A 176 " (cutoff:3.500A) removed outlier: 3.894A pdb=" N ASN A 181 " --> pdb=" O GLU A 177 " (cutoff:3.500A) removed outlier: 3.638A pdb=" N PHE A 186 " --> pdb=" O LEU A 182 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N LYS A 188 " --> pdb=" O ASN A 184 " (cutoff:3.500A) removed outlier: 3.586A pdb=" N SER A 189 " --> pdb=" O HIS A 185 " (cutoff:3.500A) Processing helix chain 'A' and resid 198 through 215 removed outlier: 3.686A pdb=" N VAL A 202 " --> pdb=" O SER A 198 " (cutoff:3.500A) removed outlier: 3.509A pdb=" N GLU A 204 " --> pdb=" O GLU A 200 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N HIS A 209 " --> pdb=" O PHE A 205 " (cutoff:3.500A) Processing helix chain 'A' and resid 237 through 252 removed outlier: 3.824A pdb=" N ALA A 247 " --> pdb=" O GLU A 243 " (cutoff:3.500A) removed outlier: 3.579A pdb=" N ALA A 249 " --> pdb=" O LEU A 245 " (cutoff:3.500A) Processing helix chain 'B' and resid 18 through 29 removed outlier: 3.627A pdb=" N THR B 26 " --> pdb=" O ASP B 22 " (cutoff:3.500A) removed outlier: 3.651A pdb=" N LYS B 29 " --> pdb=" O LEU B 25 " (cutoff:3.500A) Processing helix chain 'B' and resid 81 through 97 removed outlier: 3.659A pdb=" N LYS B 91 " --> pdb=" O ASP B 87 " (cutoff:3.500A) Processing helix chain 'B' and resid 106 through 122 removed outlier: 3.535A pdb=" N SER B 112 " --> pdb=" O LYS B 108 " (cutoff:3.500A) removed outlier: 3.743A pdb=" N GLU B 120 " --> pdb=" O LYS B 116 " (cutoff:3.500A) removed outlier: 3.710A pdb=" N ALA B 121 " --> pdb=" O ILE B 117 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N THR B 122 " --> pdb=" O MET B 118 " (cutoff:3.500A) Processing helix chain 'B' and resid 167 through 178 removed outlier: 3.734A pdb=" N THR B 173 " --> pdb=" O VAL B 169 " (cutoff:3.500A) removed outlier: 3.875A pdb=" N GLU B 176 " --> pdb=" O LYS B 172 " (cutoff:3.500A) removed outlier: 4.430A pdb=" N LYS B 177 " --> pdb=" O THR B 173 " (cutoff:3.500A) removed outlier: 3.772A pdb=" N ARG B 178 " --> pdb=" O PHE B 174 " (cutoff:3.500A) Processing helix chain 'B' and resid 184 through 200 removed outlier: 3.695A pdb=" N HIS B 190 " --> pdb=" O GLU B 186 " (cutoff:3.500A) removed outlier: 3.667A pdb=" N ILE B 191 " --> pdb=" O ASP B 187 " (cutoff:3.500A) removed outlier: 3.885A pdb=" N GLU B 198 " --> pdb=" O LEU B 194 " (cutoff:3.500A) removed outlier: 3.692A pdb=" N SER B 199 " --> pdb=" O THR B 195 " (cutoff:3.500A) Processing helix chain 'B' and resid 239 through 248 removed outlier: 3.855A pdb=" N ARG B 246 " --> pdb=" O GLU B 242 " (cutoff:3.500A) removed outlier: 3.784A pdb=" N GLU B 248 " --> pdb=" O ASN B 244 " (cutoff:3.500A) Processing helix chain 'C' and resid 19 through 31 removed outlier: 3.930A pdb=" N GLU C 27 " --> pdb=" O GLU C 23 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N SER C 28 " --> pdb=" O TYR C 24 " (cutoff:3.500A) removed outlier: 3.864A pdb=" N ILE C 29 " --> pdb=" O ALA C 25 " (cutoff:3.500A) removed outlier: 4.072A pdb=" N SER C 30 " --> pdb=" O LEU C 26 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N HIS C 31 " --> pdb=" O GLU C 27 " (cutoff:3.500A) Processing helix chain 'C' and resid 80 through 102 removed outlier: 4.062A pdb=" N ILE C 86 " --> pdb=" O ALA C 82 " (cutoff:3.500A) removed outlier: 3.975A pdb=" N LEU C 87 " --> pdb=" O ASP C 83 " (cutoff:3.500A) Processing helix chain 'C' and resid 107 through 123 removed outlier: 3.899A pdb=" N ILE C 118 " --> pdb=" O ARG C 114 " (cutoff:3.500A) removed outlier: 3.546A pdb=" N LYS C 119 " --> pdb=" O LEU C 115 " (cutoff:3.500A) removed outlier: 3.531A pdb=" N TYR C 122 " --> pdb=" O ILE C 118 " (cutoff:3.500A) removed outlier: 3.586A pdb=" N THR C 123 " --> pdb=" O LYS C 119 " (cutoff:3.500A) Processing helix chain 'C' and resid 168 through 179 removed outlier: 3.522A pdb=" N THR C 174 " --> pdb=" O SER C 170 " (cutoff:3.500A) removed outlier: 4.126A pdb=" N LEU C 175 " --> pdb=" O ALA C 171 " (cutoff:3.500A) removed outlier: 3.840A pdb=" N MET C 178 " --> pdb=" O THR C 174 " (cutoff:3.500A) Processing helix chain 'C' and resid 185 through 200 removed outlier: 3.714A pdb=" N GLU C 191 " --> pdb=" O ASP C 187 " (cutoff:3.500A) removed outlier: 3.544A pdb=" N LEU C 192 " --> pdb=" O ASP C 188 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N ALA C 193 " --> pdb=" O ALA C 189 " (cutoff:3.500A) removed outlier: 3.667A pdb=" N LYS C 199 " --> pdb=" O LYS C 195 " (cutoff:3.500A) Processing helix chain 'C' and resid 231 through 242 removed outlier: 3.761A pdb=" N ASP C 237 " --> pdb=" O GLN C 233 " (cutoff:3.500A) removed outlier: 3.664A pdb=" N ILE C 238 " --> pdb=" O GLU C 234 " (cutoff:3.500A) removed outlier: 3.591A pdb=" N LEU C 239 " --> pdb=" O ILE C 235 " (cutoff:3.500A) removed outlier: 3.854A pdb=" N VAL C 240 " --> pdb=" O LYS C 236 " (cutoff:3.500A) Processing helix chain 'D' and resid -223 through -211 removed outlier: 3.952A pdb=" N ALA D-217 " --> pdb=" O GLN D-221 " (cutoff:3.500A) removed outlier: 3.656A pdb=" N GLU D-215 " --> pdb=" O GLU D-219 " (cutoff:3.500A) removed outlier: 4.343A pdb=" N ALA D-214 " --> pdb=" O TYR D-218 " (cutoff:3.500A) removed outlier: 4.145A pdb=" N VAL D-213 " --> pdb=" O ALA D-217 " (cutoff:3.500A) Processing helix chain 'D' and resid -162 through -140 removed outlier: 3.849A pdb=" N ARG D-157 " --> pdb=" O ASN D-161 " (cutoff:3.500A) removed outlier: 4.535A pdb=" N ILE D-156 " --> pdb=" O ALA D-160 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N LEU D-155 " --> pdb=" O ASP D-159 " (cutoff:3.500A) Processing helix chain 'D' and resid -135 through -117 Processing helix chain 'D' and resid -73 through -61 removed outlier: 3.876A pdb=" N LYS D -63 " --> pdb=" O GLU D -67 " (cutoff:3.500A) Processing helix chain 'D' and resid -53 through -40 removed outlier: 3.554A pdb=" N CYS D -49 " --> pdb=" O THR D -53 " (cutoff:3.500A) removed outlier: 3.546A pdb=" N THR D -45 " --> pdb=" O CYS D -49 " (cutoff:3.500A) Processing helix chain 'D' and resid -15 through 2 removed outlier: 3.843A pdb=" N TYR D -8 " --> pdb=" O GLU D -12 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N GLN D -5 " --> pdb=" O GLN D -9 " (cutoff:3.500A) removed outlier: 3.607A pdb=" N GLU D -1 " --> pdb=" O GLN D -5 " (cutoff:3.500A) removed outlier: 3.623A pdb=" N GLN D 1 " --> pdb=" O GLU D -3 " (cutoff:3.500A) removed outlier: 3.992A pdb=" N GLU D 2 " --> pdb=" O GLN D -2 " (cutoff:3.500A) Processing helix chain 'E' and resid 21 through 30 removed outlier: 3.738A pdb=" N GLU E 29 " --> pdb=" O GLU E 25 " (cutoff:3.500A) removed outlier: 3.697A pdb=" N ALA E 30 " --> pdb=" O TYR E 26 " (cutoff:3.500A) Processing helix chain 'E' and resid 82 through 104 removed outlier: 4.144A pdb=" N SER E 87 " --> pdb=" O ALA E 83 " (cutoff:3.500A) removed outlier: 4.068A pdb=" N HIS E 99 " --> pdb=" O ALA E 95 " (cutoff:3.500A) Processing helix chain 'E' and resid 108 through 118 Processing helix chain 'E' and resid 173 through 176 Processing helix chain 'E' and resid 177 through 182 removed outlier: 3.664A pdb=" N GLU E 182 " --> pdb=" O GLY E 178 " (cutoff:3.500A) Processing helix chain 'E' and resid 192 through 207 removed outlier: 3.686A pdb=" N LEU E 198 " --> pdb=" O LYS E 194 " (cutoff:3.500A) removed outlier: 3.784A pdb=" N GLN E 206 " --> pdb=" O LYS E 202 " (cutoff:3.500A) Processing helix chain 'E' and resid 232 through 248 removed outlier: 3.774A pdb=" N GLU E 245 " --> pdb=" O LYS E 241 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N LYS E 246 " --> pdb=" O GLU E 242 " (cutoff:3.500A) removed outlier: 3.562A pdb=" N ALA E 248 " --> pdb=" O LYS E 244 " (cutoff:3.500A) Processing helix chain 'F' and resid 19 through 31 removed outlier: 3.914A pdb=" N ILE F 29 " --> pdb=" O ALA F 25 " (cutoff:3.500A) removed outlier: 3.673A pdb=" N LYS F 30 " --> pdb=" O LEU F 26 " (cutoff:3.500A) Processing helix chain 'F' and resid 77 through 98 removed outlier: 3.664A pdb=" N ALA F 81 " --> pdb=" O LEU F 77 " (cutoff:3.500A) removed outlier: 3.530A pdb=" N ARG F 82 " --> pdb=" O ALA F 78 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N VAL F 83 " --> pdb=" O PRO F 79 " (cutoff:3.500A) removed outlier: 3.632A pdb=" N LEU F 84 " --> pdb=" O ASP F 80 " (cutoff:3.500A) Processing helix chain 'F' and resid 104 through 121 removed outlier: 3.730A pdb=" N HIS F 110 " --> pdb=" O GLU F 106 " (cutoff:3.500A) removed outlier: 3.705A pdb=" N LYS F 115 " --> pdb=" O LEU F 111 " (cutoff:3.500A) removed outlier: 3.657A pdb=" N ALA F 116 " --> pdb=" O LEU F 112 " (cutoff:3.500A) removed outlier: 3.887A pdb=" N LYS F 118 " --> pdb=" O ASP F 114 " (cutoff:3.500A) removed outlier: 4.131A pdb=" N ASN F 119 " --> pdb=" O LYS F 115 " (cutoff:3.500A) Processing helix chain 'F' and resid 165 through 167 No H-bonds generated for 'chain 'F' and resid 165 through 167' Processing helix chain 'F' and resid 168 through 175 removed outlier: 4.281A pdb=" N LEU F 172 " --> pdb=" O ALA F 168 " (cutoff:3.500A) Processing helix chain 'F' and resid 175 through 180 removed outlier: 3.523A pdb=" N PHE F 179 " --> pdb=" O THR F 175 " (cutoff:3.500A) removed outlier: 4.176A pdb=" N ILE F 180 " --> pdb=" O LEU F 176 " (cutoff:3.500A) No H-bonds generated for 'chain 'F' and resid 175 through 180' Processing helix chain 'F' and resid 185 through 198 removed outlier: 3.634A pdb=" N GLY F 193 " --> pdb=" O LEU F 189 " (cutoff:3.500A) Processing helix chain 'F' and resid 199 through 201 No H-bonds generated for 'chain 'F' and resid 199 through 201' Processing helix chain 'F' and resid 226 through 234 removed outlier: 3.799A pdb=" N VAL F 230 " --> pdb=" O GLY F 227 " (cutoff:3.500A) removed outlier: 4.390A pdb=" N LYS F 232 " --> pdb=" O ALA F 229 " (cutoff:3.500A) removed outlier: 3.623A pdb=" N ILE F 234 " --> pdb=" O ALA F 231 " (cutoff:3.500A) Processing helix chain 'G' and resid 21 through 30 removed outlier: 3.618A pdb=" N LYS G 29 " --> pdb=" O GLU G 25 " (cutoff:3.500A) removed outlier: 3.577A pdb=" N ALA G 30 " --> pdb=" O TYR G 26 " (cutoff:3.500A) Processing helix chain 'G' and resid 81 through 104 removed outlier: 3.814A pdb=" N LEU G 88 " --> pdb=" O ASP G 84 " (cutoff:3.500A) removed outlier: 3.793A pdb=" N VAL G 89 " --> pdb=" O GLY G 85 " (cutoff:3.500A) removed outlier: 3.602A pdb=" N LEU G 102 " --> pdb=" O SER G 98 " (cutoff:3.500A) Processing helix chain 'G' and resid 108 through 125 removed outlier: 4.174A pdb=" N ASP G 114 " --> pdb=" O PRO G 110 " (cutoff:3.500A) removed outlier: 3.934A pdb=" N ARG G 115 " --> pdb=" O ALA G 111 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N LEU G 116 " --> pdb=" O PHE G 112 " (cutoff:3.500A) removed outlier: 3.853A pdb=" N HIS G 123 " --> pdb=" O TYR G 119 " (cutoff:3.500A) removed outlier: 3.530A pdb=" N THR G 124 " --> pdb=" O VAL G 120 " (cutoff:3.500A) Processing helix chain 'G' and resid 168 through 183 removed outlier: 3.508A pdb=" N LYS G 173 " --> pdb=" O ARG G 169 " (cutoff:3.500A) removed outlier: 4.299A pdb=" N ALA G 174 " --> pdb=" O GLN G 170 " (cutoff:3.500A) removed outlier: 3.538A pdb=" N LEU G 176 " --> pdb=" O ALA G 172 " (cutoff:3.500A) removed outlier: 4.065A pdb=" N GLU G 177 " --> pdb=" O LYS G 173 " (cutoff:3.500A) removed outlier: 4.469A pdb=" N LYS G 178 " --> pdb=" O ALA G 174 " (cutoff:3.500A) removed outlier: 3.543A pdb=" N LEU G 179 " --> pdb=" O GLU G 175 " (cutoff:3.500A) removed outlier: 3.675A pdb=" N ASP G 181 " --> pdb=" O GLU G 177 " (cutoff:3.500A) Processing helix chain 'G' and resid 188 through 203 removed outlier: 3.527A pdb=" N VAL G 193 " --> pdb=" O ALA G 189 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N LYS G 194 " --> pdb=" O ARG G 190 " (cutoff:3.500A) Processing helix chain 'G' and resid 204 through 207 Processing helix chain 'G' and resid 233 through 246 removed outlier: 3.962A pdb=" N GLN G 237 " --> pdb=" O GLY G 233 " (cutoff:3.500A) removed outlier: 4.324A pdb=" N GLU G 246 " --> pdb=" O PHE G 242 " (cutoff:3.500A) Processing helix chain 'c' and resid 25 through 34 removed outlier: 3.508A pdb=" N ALA c 31 " --> pdb=" O GLN c 27 " (cutoff:3.500A) removed outlier: 3.819A pdb=" N PHE c 32 " --> pdb=" O VAL c 28 " (cutoff:3.500A) removed outlier: 3.828A pdb=" N LYS c 33 " --> pdb=" O GLU c 29 " (cutoff:3.500A) Processing helix chain 'c' and resid 35 through 37 No H-bonds generated for 'chain 'c' and resid 35 through 37' Processing helix chain 'c' and resid 86 through 108 removed outlier: 3.751A pdb=" N ALA c 90 " --> pdb=" O PRO c 86 " (cutoff:3.500A) removed outlier: 3.704A pdb=" N ARG c 96 " --> pdb=" O ASN c 92 " (cutoff:3.500A) removed outlier: 3.855A pdb=" N ARG c 105 " --> pdb=" O ALA c 101 " (cutoff:3.500A) Processing helix chain 'c' and resid 113 through 131 removed outlier: 3.539A pdb=" N SER c 125 " --> pdb=" O MET c 121 " (cutoff:3.500A) Processing helix chain 'c' and resid 174 through 190 removed outlier: 4.022A pdb=" N HIS c 185 " --> pdb=" O ASN c 181 " (cutoff:3.500A) removed outlier: 3.832A pdb=" N PHE c 186 " --> pdb=" O LEU c 182 " (cutoff:3.500A) removed outlier: 4.078A pdb=" N LYS c 188 " --> pdb=" O ASN c 184 " (cutoff:3.500A) Processing helix chain 'c' and resid 198 through 215 removed outlier: 4.077A pdb=" N VAL c 202 " --> pdb=" O SER c 198 " (cutoff:3.500A) removed outlier: 3.894A pdb=" N VAL c 203 " --> pdb=" O TRP c 199 " (cutoff:3.500A) removed outlier: 3.566A pdb=" N THR c 208 " --> pdb=" O GLU c 204 " (cutoff:3.500A) removed outlier: 3.704A pdb=" N HIS c 209 " --> pdb=" O PHE c 205 " (cutoff:3.500A) Processing helix chain 'c' and resid 237 through 252 removed outlier: 3.536A pdb=" N LEU c 245 " --> pdb=" O ILE c 241 " (cutoff:3.500A) removed outlier: 3.602A pdb=" N VAL c 246 " --> pdb=" O GLU c 242 " (cutoff:3.500A) removed outlier: 3.813A pdb=" N ALA c 247 " --> pdb=" O GLU c 243 " (cutoff:3.500A) Processing helix chain 'j' and resid 18 through 30 removed outlier: 3.617A pdb=" N LEU j 25 " --> pdb=" O ILE j 21 " (cutoff:3.500A) removed outlier: 4.286A pdb=" N THR j 26 " --> pdb=" O ASP j 22 " (cutoff:3.500A) removed outlier: 4.106A pdb=" N ALA j 27 " --> pdb=" O TYR j 23 " (cutoff:3.500A) removed outlier: 3.640A pdb=" N VAL j 28 " --> pdb=" O ALA j 24 " (cutoff:3.500A) Processing helix chain 'j' and resid 57 through 61 removed outlier: 3.623A pdb=" N LEU j 61 " --> pdb=" O SER j 58 " (cutoff:3.500A) Processing helix chain 'j' and resid 79 through 97 removed outlier: 4.341A pdb=" N ARG j 83 " --> pdb=" O GLY j 79 " (cutoff:3.500A) removed outlier: 4.350A pdb=" N VAL j 84 " --> pdb=" O PRO j 80 " (cutoff:3.500A) removed outlier: 4.020A pdb=" N LEU j 85 " --> pdb=" O ASP j 81 " (cutoff:3.500A) removed outlier: 3.619A pdb=" N LYS j 91 " --> pdb=" O ASP j 87 " (cutoff:3.500A) Processing helix chain 'j' and resid 106 through 122 removed outlier: 3.765A pdb=" N SER j 112 " --> pdb=" O LYS j 108 " (cutoff:3.500A) removed outlier: 3.600A pdb=" N GLU j 113 " --> pdb=" O LEU j 109 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N ALA j 121 " --> pdb=" O ILE j 117 " (cutoff:3.500A) removed outlier: 3.687A pdb=" N THR j 122 " --> pdb=" O MET j 118 " (cutoff:3.500A) Processing helix chain 'j' and resid 167 through 175 removed outlier: 3.530A pdb=" N LYS j 172 " --> pdb=" O SER j 168 " (cutoff:3.500A) removed outlier: 4.274A pdb=" N THR j 173 " --> pdb=" O VAL j 169 " (cutoff:3.500A) removed outlier: 3.562A pdb=" N PHE j 174 " --> pdb=" O ALA j 170 " (cutoff:3.500A) Processing helix chain 'j' and resid 184 through 200 removed outlier: 3.650A pdb=" N ILE j 189 " --> pdb=" O LEU j 185 " (cutoff:3.500A) removed outlier: 3.677A pdb=" N HIS j 190 " --> pdb=" O GLU j 186 " (cutoff:3.500A) removed outlier: 4.273A pdb=" N GLU j 198 " --> pdb=" O LEU j 194 " (cutoff:3.500A) Processing helix chain 'j' and resid 239 through 249 removed outlier: 3.837A pdb=" N ARG j 246 " --> pdb=" O GLU j 242 " (cutoff:3.500A) removed outlier: 3.621A pdb=" N GLU j 248 " --> pdb=" O ASN j 244 " (cutoff:3.500A) removed outlier: 4.063A pdb=" N ALA j 249 " --> pdb=" O ASP j 245 " (cutoff:3.500A) Processing helix chain 'd' and resid 3 through 7 Processing helix chain 'd' and resid 19 through 31 removed outlier: 3.971A pdb=" N GLU d 27 " --> pdb=" O GLU d 23 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N SER d 28 " --> pdb=" O TYR d 24 " (cutoff:3.500A) removed outlier: 3.795A pdb=" N ILE d 29 " --> pdb=" O ALA d 25 " (cutoff:3.500A) removed outlier: 3.966A pdb=" N SER d 30 " --> pdb=" O LEU d 26 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N HIS d 31 " --> pdb=" O GLU d 27 " (cutoff:3.500A) Processing helix chain 'd' and resid 80 through 102 removed outlier: 3.701A pdb=" N ALA d 84 " --> pdb=" O LEU d 80 " (cutoff:3.500A) removed outlier: 3.533A pdb=" N GLU d 85 " --> pdb=" O THR d 81 " (cutoff:3.500A) removed outlier: 4.214A pdb=" N ILE d 86 " --> pdb=" O ALA d 82 " (cutoff:3.500A) removed outlier: 4.427A pdb=" N LEU d 87 " --> pdb=" O ASP d 83 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N LEU d 99 " --> pdb=" O ALA d 95 " (cutoff:3.500A) Processing helix chain 'd' and resid 107 through 125 removed outlier: 3.575A pdb=" N ASP d 117 " --> pdb=" O ARG d 113 " (cutoff:3.500A) removed outlier: 3.578A pdb=" N ILE d 118 " --> pdb=" O ARG d 114 " (cutoff:3.500A) removed outlier: 3.938A pdb=" N TYR d 122 " --> pdb=" O ILE d 118 " (cutoff:3.500A) removed outlier: 3.972A pdb=" N THR d 123 " --> pdb=" O LYS d 119 " (cutoff:3.500A) Processing helix chain 'd' and resid 168 through 180 removed outlier: 3.694A pdb=" N THR d 174 " --> pdb=" O SER d 170 " (cutoff:3.500A) removed outlier: 3.956A pdb=" N LEU d 175 " --> pdb=" O ALA d 171 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N GLN d 177 " --> pdb=" O GLN d 173 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N MET d 178 " --> pdb=" O THR d 174 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N ASP d 179 " --> pdb=" O LEU d 175 " (cutoff:3.500A) Processing helix chain 'd' and resid 185 through 200 removed outlier: 4.120A pdb=" N GLU d 191 " --> pdb=" O ASP d 187 " (cutoff:3.500A) removed outlier: 3.687A pdb=" N LEU d 192 " --> pdb=" O ASP d 188 " (cutoff:3.500A) removed outlier: 3.667A pdb=" N LYS d 199 " --> pdb=" O LYS d 195 " (cutoff:3.500A) Processing helix chain 'd' and resid 231 through 242 removed outlier: 3.857A pdb=" N LYS d 236 " --> pdb=" O PRO d 232 " (cutoff:3.500A) removed outlier: 3.991A pdb=" N ASP d 237 " --> pdb=" O GLN d 233 " (cutoff:3.500A) removed outlier: 3.575A pdb=" N LEU d 239 " --> pdb=" O ILE d 235 " (cutoff:3.500A) removed outlier: 3.835A pdb=" N VAL d 240 " --> pdb=" O LYS d 236 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N LYS d 241 " --> pdb=" O ASP d 237 " (cutoff:3.500A) removed outlier: 3.523A pdb=" N THR d 242 " --> pdb=" O ILE d 238 " (cutoff:3.500A) Processing helix chain 'n' and resid 17 through 29 removed outlier: 3.508A pdb=" N GLU n 25 " --> pdb=" O GLU n 21 " (cutoff:3.500A) removed outlier: 3.632A pdb=" N ALA n 26 " --> pdb=" O TYR n 22 " (cutoff:3.500A) removed outlier: 3.982A pdb=" N VAL n 27 " --> pdb=" O ALA n 23 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N LYS n 28 " --> pdb=" O LEU n 24 " (cutoff:3.500A) Processing helix chain 'n' and resid 78 through 100 removed outlier: 3.593A pdb=" N SER n 82 " --> pdb=" O LEU n 78 " (cutoff:3.500A) removed outlier: 3.966A pdb=" N ARG n 83 " --> pdb=" O ASN n 79 " (cutoff:3.500A) removed outlier: 3.971A pdb=" N ILE n 84 " --> pdb=" O ALA n 80 " (cutoff:3.500A) removed outlier: 4.155A pdb=" N LEU n 85 " --> pdb=" O ASP n 81 " (cutoff:3.500A) Processing helix chain 'n' and resid 105 through 123 removed outlier: 3.523A pdb=" N LEU n 109 " --> pdb=" O THR n 105 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N ARG n 119 " --> pdb=" O GLY n 115 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N TYR n 120 " --> pdb=" O VAL n 116 " (cutoff:3.500A) removed outlier: 3.576A pdb=" N THR n 121 " --> pdb=" O GLN n 117 " (cutoff:3.500A) Processing helix chain 'n' and resid 167 through 179 removed outlier: 4.094A pdb=" N LYS n 177 " --> pdb=" O GLU n 173 " (cutoff:3.500A) Processing helix chain 'n' and resid 188 through 199 removed outlier: 3.660A pdb=" N LEU n 194 " --> pdb=" O GLU n 190 " (cutoff:3.500A) removed outlier: 3.543A pdb=" N THR n 195 " --> pdb=" O CYS n 191 " (cutoff:3.500A) Processing helix chain 'n' and resid 199 through 204 removed outlier: 3.638A pdb=" N GLN n 204 " --> pdb=" O LEU n 200 " (cutoff:3.500A) Processing helix chain 'n' and resid 225 through 241 removed outlier: 3.529A pdb=" N GLN n 231 " --> pdb=" O GLU n 227 " (cutoff:3.500A) removed outlier: 3.884A pdb=" N TYR n 232 " --> pdb=" O GLU n 228 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N GLU n 239 " --> pdb=" O GLN n 235 " (cutoff:3.500A) removed outlier: 4.052A pdb=" N GLN n 241 " --> pdb=" O GLU n 237 " (cutoff:3.500A) Processing helix chain 'm' and resid 21 through 29 removed outlier: 3.695A pdb=" N GLU m 29 " --> pdb=" O GLU m 25 " (cutoff:3.500A) Processing helix chain 'm' and resid 84 through 104 removed outlier: 3.661A pdb=" N MET m 88 " --> pdb=" O ASP m 84 " (cutoff:3.500A) removed outlier: 3.665A pdb=" N HIS m 91 " --> pdb=" O SER m 87 " (cutoff:3.500A) removed outlier: 3.588A pdb=" N ASN m 100 " --> pdb=" O ALA m 96 " (cutoff:3.500A) Processing helix chain 'm' and resid 108 through 118 removed outlier: 3.530A pdb=" N SER m 115 " --> pdb=" O SER m 111 " (cutoff:3.500A) Processing helix chain 'm' and resid 119 through 122 removed outlier: 3.551A pdb=" N ARG m 122 " --> pdb=" O LEU m 119 " (cutoff:3.500A) No H-bonds generated for 'chain 'm' and resid 119 through 122' Processing helix chain 'm' and resid 175 through 186 removed outlier: 4.495A pdb=" N ALA m 181 " --> pdb=" O GLU m 177 " (cutoff:3.500A) removed outlier: 3.957A pdb=" N GLU m 182 " --> pdb=" O GLY m 178 " (cutoff:3.500A) removed outlier: 3.626A pdb=" N LEU m 183 " --> pdb=" O ALA m 179 " (cutoff:3.500A) removed outlier: 4.135A pdb=" N LEU m 184 " --> pdb=" O GLN m 180 " (cutoff:3.500A) removed outlier: 4.486A pdb=" N ASN m 185 " --> pdb=" O ALA m 181 " (cutoff:3.500A) Processing helix chain 'm' and resid 192 through 207 removed outlier: 3.628A pdb=" N LEU m 198 " --> pdb=" O LYS m 194 " (cutoff:3.500A) removed outlier: 3.976A pdb=" N GLN m 206 " --> pdb=" O LYS m 202 " (cutoff:3.500A) removed outlier: 3.516A pdb=" N VAL m 207 " --> pdb=" O ILE m 203 " (cutoff:3.500A) Processing helix chain 'm' and resid 232 through 248 removed outlier: 3.503A pdb=" N LYS m 246 " --> pdb=" O GLU m 242 " (cutoff:3.500A) removed outlier: 3.616A pdb=" N ALA m 248 " --> pdb=" O LYS m 244 " (cutoff:3.500A) Processing helix chain 'l' and resid 19 through 31 removed outlier: 3.874A pdb=" N ALA l 28 " --> pdb=" O TYR l 24 " (cutoff:3.500A) removed outlier: 4.345A pdb=" N ILE l 29 " --> pdb=" O ALA l 25 " (cutoff:3.500A) removed outlier: 4.454A pdb=" N LYS l 30 " --> pdb=" O LEU l 26 " (cutoff:3.500A) removed outlier: 3.549A pdb=" N GLN l 31 " --> pdb=" O GLU l 27 " (cutoff:3.500A) Processing helix chain 'l' and resid 78 through 98 removed outlier: 3.543A pdb=" N ARG l 82 " --> pdb=" O ALA l 78 " (cutoff:3.500A) removed outlier: 3.618A pdb=" N VAL l 83 " --> pdb=" O PRO l 79 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N LEU l 84 " --> pdb=" O ASP l 80 " (cutoff:3.500A) Processing helix chain 'l' and resid 104 through 118 removed outlier: 3.901A pdb=" N HIS l 110 " --> pdb=" O GLU l 106 " (cutoff:3.500A) Processing helix chain 'l' and resid 164 through 175 removed outlier: 4.379A pdb=" N ALA l 168 " --> pdb=" O ARG l 164 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N TYR l 171 " --> pdb=" O GLY l 167 " (cutoff:3.500A) removed outlier: 3.644A pdb=" N ARG l 174 " --> pdb=" O THR l 170 " (cutoff:3.500A) Processing helix chain 'l' and resid 175 through 180 removed outlier: 3.725A pdb=" N PHE l 179 " --> pdb=" O THR l 175 " (cutoff:3.500A) removed outlier: 4.098A pdb=" N ILE l 180 " --> pdb=" O LEU l 176 " (cutoff:3.500A) No H-bonds generated for 'chain 'l' and resid 175 through 180' Processing helix chain 'l' and resid 185 through 199 removed outlier: 3.529A pdb=" N LEU l 189 " --> pdb=" O ASN l 185 " (cutoff:3.500A) removed outlier: 3.870A pdb=" N GLY l 193 " --> pdb=" O LEU l 189 " (cutoff:3.500A) removed outlier: 3.501A pdb=" N GLU l 195 " --> pdb=" O LYS l 191 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N ALA l 196 " --> pdb=" O ALA l 192 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N GLN l 199 " --> pdb=" O GLU l 195 " (cutoff:3.500A) Processing helix chain 'l' and resid 226 through 230 Processing helix chain 'k' and resid 21 through 33 removed outlier: 3.835A pdb=" N VAL k 31 " --> pdb=" O ALA k 27 " (cutoff:3.500A) removed outlier: 3.788A pdb=" N GLU k 32 " --> pdb=" O VAL k 28 " (cutoff:3.500A) removed outlier: 3.569A pdb=" N ASN k 33 " --> pdb=" O LYS k 29 " (cutoff:3.500A) Processing helix chain 'k' and resid 81 through 103 removed outlier: 3.772A pdb=" N LEU k 88 " --> pdb=" O ASP k 84 " (cutoff:3.500A) removed outlier: 3.830A pdb=" N VAL k 89 " --> pdb=" O GLY k 85 " (cutoff:3.500A) Processing helix chain 'k' and resid 108 through 126 removed outlier: 3.620A pdb=" N ASP k 114 " --> pdb=" O PRO k 110 " (cutoff:3.500A) removed outlier: 3.686A pdb=" N ARG k 115 " --> pdb=" O ALA k 111 " (cutoff:3.500A) removed outlier: 3.661A pdb=" N HIS k 123 " --> pdb=" O TYR k 119 " (cutoff:3.500A) removed outlier: 3.923A pdb=" N THR k 124 " --> pdb=" O VAL k 120 " (cutoff:3.500A) removed outlier: 4.048A pdb=" N TYR k 126 " --> pdb=" O ALA k 122 " (cutoff:3.500A) Processing helix chain 'k' and resid 168 through 183 removed outlier: 3.982A pdb=" N ALA k 174 " --> pdb=" O GLN k 170 " (cutoff:3.500A) removed outlier: 3.848A pdb=" N GLU k 175 " --> pdb=" O SER k 171 " (cutoff:3.500A) removed outlier: 3.591A pdb=" N LYS k 178 " --> pdb=" O ALA k 174 " (cutoff:3.500A) removed outlier: 3.943A pdb=" N VAL k 180 " --> pdb=" O LEU k 176 " (cutoff:3.500A) removed outlier: 3.904A pdb=" N ASP k 181 " --> pdb=" O GLU k 177 " (cutoff:3.500A) Processing helix chain 'k' and resid 188 through 203 removed outlier: 3.749A pdb=" N VAL k 193 " --> pdb=" O ALA k 189 " (cutoff:3.500A) removed outlier: 3.730A pdb=" N LYS k 194 " --> pdb=" O ARG k 190 " (cutoff:3.500A) removed outlier: 3.604A pdb=" N LYS k 198 " --> pdb=" O LYS k 194 " (cutoff:3.500A) removed outlier: 3.758A pdb=" N ILE k 199 " --> pdb=" O GLN k 195 " (cutoff:3.500A) removed outlier: 3.530A pdb=" N ILE k 200 " --> pdb=" O ALA k 196 " (cutoff:3.500A) removed outlier: 3.535A pdb=" N TYR k 201 " --> pdb=" O ALA k 197 " (cutoff:3.500A) Processing helix chain 'k' and resid 203 through 208 removed outlier: 4.352A pdb=" N ASN k 207 " --> pdb=" O ALA k 203 " (cutoff:3.500A) Processing helix chain 'k' and resid 233 through 247 removed outlier: 3.686A pdb=" N GLN k 237 " --> pdb=" O GLY k 233 " (cutoff:3.500A) Processing helix chain 'H' and resid 78 through 86 removed outlier: 3.523A pdb=" N TRP H 82 " --> pdb=" O PRO H 78 " (cutoff:3.500A) removed outlier: 3.903A pdb=" N ILE H 84 " --> pdb=" O HIS H 80 " (cutoff:3.500A) removed outlier: 4.165A pdb=" N MET H 85 " --> pdb=" O LEU H 81 " (cutoff:3.500A) Processing helix chain 'H' and resid 207 through 211 removed outlier: 3.901A pdb=" N VAL H 211 " --> pdb=" O TYR H 208 " (cutoff:3.500A) Processing helix chain 'H' and resid 218 through 225 removed outlier: 3.758A pdb=" N VAL H 224 " --> pdb=" O LYS H 220 " (cutoff:3.500A) Processing helix chain 'H' and resid 225 through 231 removed outlier: 3.577A pdb=" N LEU H 229 " --> pdb=" O VAL H 225 " (cutoff:3.500A) Processing helix chain 'H' and resid 255 through 268 removed outlier: 3.546A pdb=" N ALA H 264 " --> pdb=" O ALA H 260 " (cutoff:3.500A) removed outlier: 3.706A pdb=" N ARG H 266 " --> pdb=" O ALA H 262 " (cutoff:3.500A) Processing helix chain 'H' and resid 285 through 301 removed outlier: 3.829A pdb=" N ARG H 289 " --> pdb=" O GLY H 285 " (cutoff:3.500A) removed outlier: 3.890A pdb=" N ARG H 292 " --> pdb=" O ALA H 288 " (cutoff:3.500A) removed outlier: 3.889A pdb=" N LEU H 294 " --> pdb=" O MET H 290 " (cutoff:3.500A) removed outlier: 3.507A pdb=" N PHE H 295 " --> pdb=" O VAL H 291 " (cutoff:3.500A) removed outlier: 3.958A pdb=" N MET H 297 " --> pdb=" O GLU H 293 " (cutoff:3.500A) removed outlier: 3.745A pdb=" N ALA H 298 " --> pdb=" O LEU H 294 " (cutoff:3.500A) removed outlier: 3.753A pdb=" N ARG H 299 " --> pdb=" O PHE H 295 " (cutoff:3.500A) Processing helix chain 'H' and resid 310 through 314 removed outlier: 3.929A pdb=" N ALA H 313 " --> pdb=" O GLU H 310 " (cutoff:3.500A) Processing helix chain 'H' and resid 326 through 341 removed outlier: 3.619A pdb=" N GLN H 330 " --> pdb=" O ASP H 326 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N ARG H 331 " --> pdb=" O ASN H 327 " (cutoff:3.500A) removed outlier: 4.048A pdb=" N THR H 332 " --> pdb=" O GLU H 328 " (cutoff:3.500A) removed outlier: 4.004A pdb=" N MET H 333 " --> pdb=" O VAL H 329 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N LEU H 334 " --> pdb=" O GLN H 330 " (cutoff:3.500A) Processing helix chain 'H' and resid 381 through 394 removed outlier: 3.907A pdb=" N ASN H 387 " --> pdb=" O GLU H 383 " (cutoff:3.500A) removed outlier: 3.653A pdb=" N ILE H 388 " --> pdb=" O GLY H 384 " (cutoff:3.500A) removed outlier: 3.636A pdb=" N PHE H 389 " --> pdb=" O ARG H 385 " (cutoff:3.500A) removed outlier: 3.730A pdb=" N HIS H 392 " --> pdb=" O ILE H 388 " (cutoff:3.500A) removed outlier: 3.777A pdb=" N LYS H 394 " --> pdb=" O ARG H 390 " (cutoff:3.500A) Processing helix chain 'H' and resid 404 through 411 Processing helix chain 'H' and resid 415 through 427 removed outlier: 3.619A pdb=" N SER H 421 " --> pdb=" O ALA H 417 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N VAL H 422 " --> pdb=" O GLU H 418 " (cutoff:3.500A) removed outlier: 4.213A pdb=" N CYS H 423 " --> pdb=" O LEU H 419 " (cutoff:3.500A) removed outlier: 3.873A pdb=" N GLY H 427 " --> pdb=" O CYS H 423 " (cutoff:3.500A) Processing helix chain 'H' and resid 428 through 433 removed outlier: 4.129A pdb=" N ARG H 432 " --> pdb=" O MET H 428 " (cutoff:3.500A) Processing helix chain 'H' and resid 439 through 451 removed outlier: 3.770A pdb=" N ASP H 448 " --> pdb=" O LEU H 444 " (cutoff:3.500A) removed outlier: 3.543A pdb=" N ILE H 451 " --> pdb=" O VAL H 447 " (cutoff:3.500A) Processing helix chain 'I' and resid 76 through 81 Processing helix chain 'I' and resid 81 through 94 removed outlier: 3.532A pdb=" N LYS I 94 " --> pdb=" O GLU I 90 " (cutoff:3.500A) Processing helix chain 'I' and resid 95 through 101 Processing helix chain 'I' and resid 187 through 198 removed outlier: 4.462A pdb=" N GLU I 193 " --> pdb=" O SER I 189 " (cutoff:3.500A) removed outlier: 3.936A pdb=" N ILE I 194 " --> pdb=" O GLN I 190 " (cutoff:3.500A) removed outlier: 3.598A pdb=" N GLU I 196 " --> pdb=" O GLN I 192 " (cutoff:3.500A) removed outlier: 3.859A pdb=" N SER I 197 " --> pdb=" O GLU I 193 " (cutoff:3.500A) Processing helix chain 'I' and resid 198 through 204 removed outlier: 3.642A pdb=" N LEU I 202 " --> pdb=" O VAL I 198 " (cutoff:3.500A) Processing helix chain 'I' and resid 205 through 212 Processing helix chain 'I' and resid 228 through 241 removed outlier: 4.065A pdb=" N ALA I 233 " --> pdb=" O LYS I 229 " (cutoff:3.500A) removed outlier: 3.628A pdb=" N LYS I 234 " --> pdb=" O THR I 230 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N VAL I 236 " --> pdb=" O LEU I 232 " (cutoff:3.500A) removed outlier: 3.645A pdb=" N ALA I 237 " --> pdb=" O ALA I 233 " (cutoff:3.500A) removed outlier: 3.667A pdb=" N ASN I 238 " --> pdb=" O LYS I 234 " (cutoff:3.500A) removed outlier: 4.016A pdb=" N GLN I 239 " --> pdb=" O ALA I 235 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N THR I 240 " --> pdb=" O VAL I 236 " (cutoff:3.500A) removed outlier: 3.596A pdb=" N SER I 241 " --> pdb=" O ALA I 237 " (cutoff:3.500A) Processing helix chain 'I' and resid 250 through 253 removed outlier: 4.064A pdb=" N ILE I 253 " --> pdb=" O SER I 250 " (cutoff:3.500A) No H-bonds generated for 'chain 'I' and resid 250 through 253' Processing helix chain 'I' and resid 258 through 274 removed outlier: 3.771A pdb=" N ARG I 262 " --> pdb=" O GLY I 258 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N GLN I 266 " --> pdb=" O ARG I 262 " (cutoff:3.500A) removed outlier: 3.823A pdb=" N PHE I 268 " --> pdb=" O CYS I 264 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N GLU I 273 " --> pdb=" O LYS I 269 " (cutoff:3.500A) removed outlier: 3.795A pdb=" N ASN I 274 " --> pdb=" O VAL I 270 " (cutoff:3.500A) Processing helix chain 'I' and resid 299 through 313 removed outlier: 3.851A pdb=" N GLN I 303 " --> pdb=" O GLU I 299 " (cutoff:3.500A) removed outlier: 3.683A pdb=" N LEU I 309 " --> pdb=" O THR I 305 " (cutoff:3.500A) removed outlier: 3.620A pdb=" N LEU I 313 " --> pdb=" O LEU I 309 " (cutoff:3.500A) Processing helix chain 'I' and resid 335 through 339 Processing helix chain 'I' and resid 354 through 366 removed outlier: 3.625A pdb=" N LYS I 359 " --> pdb=" O LEU I 355 " (cutoff:3.500A) removed outlier: 3.860A pdb=" N LYS I 360 " --> pdb=" O SER I 356 " (cutoff:3.500A) removed outlier: 3.535A pdb=" N HIS I 365 " --> pdb=" O ILE I 361 " (cutoff:3.500A) Processing helix chain 'I' and resid 376 through 384 removed outlier: 3.531A pdb=" N LEU I 380 " --> pdb=" O ASN I 376 " (cutoff:3.500A) Processing helix chain 'I' and resid 388 through 407 removed outlier: 3.547A pdb=" N GLN I 393 " --> pdb=" O GLY I 389 " (cutoff:3.500A) removed outlier: 3.692A pdb=" N GLU I 406 " --> pdb=" O LEU I 402 " (cutoff:3.500A) Processing helix chain 'I' and resid 412 through 426 removed outlier: 4.206A pdb=" N PHE I 416 " --> pdb=" O THR I 412 " (cutoff:3.500A) removed outlier: 3.716A pdb=" N GLU I 421 " --> pdb=" O LYS I 417 " (cutoff:3.500A) Processing helix chain 'J' and resid 25 through 30 Processing helix chain 'J' and resid 32 through 60 removed outlier: 3.765A pdb=" N SER J 36 " --> pdb=" O LEU J 32 " (cutoff:3.500A) removed outlier: 3.676A pdb=" N LYS J 37 " --> pdb=" O LYS J 33 " (cutoff:3.500A) removed outlier: 3.943A pdb=" N THR J 38 " --> pdb=" O ILE J 34 " (cutoff:3.500A) removed outlier: 3.543A pdb=" N VAL J 41 " --> pdb=" O LYS J 37 " (cutoff:3.500A) removed outlier: 4.183A pdb=" N ALA J 46 " --> pdb=" O ARG J 42 " (cutoff:3.500A) removed outlier: 3.963A pdb=" N GLN J 47 " --> pdb=" O ARG J 43 " (cutoff:3.500A) removed outlier: 3.858A pdb=" N LEU J 51 " --> pdb=" O GLN J 47 " (cutoff:3.500A) removed outlier: 3.626A pdb=" N LYS J 54 " --> pdb=" O ALA J 50 " (cutoff:3.500A) Processing helix chain 'J' and resid 60 through 66 removed outlier: 3.956A pdb=" N LEU J 64 " --> pdb=" O ASP J 60 " (cutoff:3.500A) Processing helix chain 'J' and resid 153 through 162 removed outlier: 3.897A pdb=" N GLU J 159 " --> pdb=" O LYS J 155 " (cutoff:3.500A) Processing helix chain 'J' and resid 164 through 170 removed outlier: 3.890A pdb=" N VAL J 168 " --> pdb=" O ILE J 164 " (cutoff:3.500A) Processing helix chain 'J' and resid 171 through 178 removed outlier: 3.893A pdb=" N GLU J 175 " --> pdb=" O PRO J 171 " (cutoff:3.500A) Processing helix chain 'J' and resid 195 through 206 removed outlier: 3.938A pdb=" N ALA J 203 " --> pdb=" O ALA J 199 " (cutoff:3.500A) removed outlier: 3.601A pdb=" N HIS J 204 " --> pdb=" O ARG J 200 " (cutoff:3.500A) removed outlier: 3.739A pdb=" N HIS J 205 " --> pdb=" O ALA J 201 " (cutoff:3.500A) Processing helix chain 'J' and resid 214 through 218 removed outlier: 3.543A pdb=" N LEU J 218 " --> pdb=" O GLY J 215 " (cutoff:3.500A) Processing helix chain 'J' and resid 227 through 240 removed outlier: 3.967A pdb=" N ARG J 231 " --> pdb=" O SER J 227 " (cutoff:3.500A) removed outlier: 4.093A pdb=" N LEU J 233 " --> pdb=" O MET J 229 " (cutoff:3.500A) removed outlier: 4.674A pdb=" N PHE J 234 " --> pdb=" O VAL J 230 " (cutoff:3.500A) removed outlier: 3.616A pdb=" N ARG J 238 " --> pdb=" O PHE J 234 " (cutoff:3.500A) removed outlier: 3.893A pdb=" N HIS J 240 " --> pdb=" O MET J 236 " (cutoff:3.500A) Processing helix chain 'J' and resid 265 through 275 removed outlier: 3.862A pdb=" N LEU J 273 " --> pdb=" O GLN J 269 " (cutoff:3.500A) removed outlier: 3.732A pdb=" N GLU J 274 " --> pdb=" O ARG J 270 " (cutoff:3.500A) Processing helix chain 'J' and resid 275 through 280 removed outlier: 4.135A pdb=" N LEU J 279 " --> pdb=" O LEU J 275 " (cutoff:3.500A) Processing helix chain 'J' and resid 301 through 306 removed outlier: 3.783A pdb=" N LEU J 305 " --> pdb=" O ASP J 301 " (cutoff:3.500A) removed outlier: 3.666A pdb=" N ARG J 306 " --> pdb=" O PRO J 302 " (cutoff:3.500A) No H-bonds generated for 'chain 'J' and resid 301 through 306' Processing helix chain 'J' and resid 322 through 329 removed outlier: 4.151A pdb=" N GLU J 326 " --> pdb=" O ALA J 322 " (cutoff:3.500A) removed outlier: 3.660A pdb=" N ILE J 327 " --> pdb=" O ALA J 323 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N ARG J 329 " --> pdb=" O ALA J 325 " (cutoff:3.500A) Processing helix chain 'J' and resid 342 through 350 removed outlier: 3.589A pdb=" N VAL J 346 " --> pdb=" O ASN J 342 " (cutoff:3.500A) Processing helix chain 'J' and resid 354 through 365 removed outlier: 3.577A pdb=" N VAL J 361 " --> pdb=" O ASP J 357 " (cutoff:3.500A) removed outlier: 3.876A pdb=" N CYS J 362 " --> pdb=" O VAL J 358 " (cutoff:3.500A) removed outlier: 3.838A pdb=" N THR J 363 " --> pdb=" O LYS J 359 " (cutoff:3.500A) Processing helix chain 'J' and resid 366 through 373 removed outlier: 3.850A pdb=" N ARG J 371 " --> pdb=" O MET J 367 " (cutoff:3.500A) removed outlier: 4.098A pdb=" N GLU J 372 " --> pdb=" O TYR J 368 " (cutoff:3.500A) Processing helix chain 'J' and resid 378 through 395 removed outlier: 3.865A pdb=" N PHE J 382 " --> pdb=" O THR J 378 " (cutoff:3.500A) removed outlier: 3.637A pdb=" N LEU J 384 " --> pdb=" O GLU J 380 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N LYS J 392 " --> pdb=" O LYS J 388 " (cutoff:3.500A) Processing helix chain 'K' and resid 49 through 88 removed outlier: 3.809A pdb=" N LEU K 54 " --> pdb=" O LYS K 50 " (cutoff:3.500A) removed outlier: 3.920A pdb=" N GLU K 55 " --> pdb=" O LEU K 51 " (cutoff:3.500A) removed outlier: 3.508A pdb=" N LYS K 56 " --> pdb=" O LYS K 52 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N GLU K 59 " --> pdb=" O GLU K 55 " (cutoff:3.500A) removed outlier: 4.010A pdb=" N ARG K 73 " --> pdb=" O LYS K 69 " (cutoff:3.500A) removed outlier: 3.963A pdb=" N LYS K 76 " --> pdb=" O GLN K 72 " (cutoff:3.500A) removed outlier: 4.104A pdb=" N ARG K 77 " --> pdb=" O ARG K 73 " (cutoff:3.500A) removed outlier: 3.761A pdb=" N GLU K 84 " --> pdb=" O LYS K 80 " (cutoff:3.500A) removed outlier: 3.974A pdb=" N GLU K 85 " --> pdb=" O ARG K 81 " (cutoff:3.500A) removed outlier: 3.615A pdb=" N ARG K 88 " --> pdb=" O GLU K 84 " (cutoff:3.500A) Processing helix chain 'K' and resid 170 through 174 removed outlier: 4.019A pdb=" N ASP K 173 " --> pdb=" O THR K 170 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N VAL K 174 " --> pdb=" O TYR K 171 " (cutoff:3.500A) No H-bonds generated for 'chain 'K' and resid 170 through 174' Processing helix chain 'K' and resid 177 through 188 removed outlier: 3.971A pdb=" N GLU K 183 " --> pdb=" O MET K 179 " (cutoff:3.500A) Processing helix chain 'K' and resid 195 through 202 removed outlier: 3.974A pdb=" N GLU K 199 " --> pdb=" O ALA K 195 " (cutoff:3.500A) Processing helix chain 'K' and resid 220 through 231 removed outlier: 3.943A pdb=" N LYS K 224 " --> pdb=" O THR K 220 " (cutoff:3.500A) Processing helix chain 'K' and resid 248 through 264 removed outlier: 3.897A pdb=" N ARG K 252 " --> pdb=" O GLY K 248 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N VAL K 257 " --> pdb=" O MET K 253 " (cutoff:3.500A) removed outlier: 3.704A pdb=" N PHE K 258 " --> pdb=" O VAL K 254 " (cutoff:3.500A) removed outlier: 3.828A pdb=" N ALA K 261 " --> pdb=" O VAL K 257 " (cutoff:3.500A) removed outlier: 3.825A pdb=" N GLU K 263 " --> pdb=" O ARG K 259 " (cutoff:3.500A) removed outlier: 3.676A pdb=" N ASN K 264 " --> pdb=" O LEU K 260 " (cutoff:3.500A) Processing helix chain 'K' and resid 290 through 306 removed outlier: 3.614A pdb=" N ILE K 295 " --> pdb=" O GLU K 291 " (cutoff:3.500A) removed outlier: 3.675A pdb=" N GLU K 298 " --> pdb=" O ARG K 294 " (cutoff:3.500A) removed outlier: 3.687A pdb=" N MET K 303 " --> pdb=" O LEU K 299 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N ASP K 304 " --> pdb=" O LEU K 300 " (cutoff:3.500A) Processing helix chain 'K' and resid 320 through 324 removed outlier: 3.660A pdb=" N THR K 323 " --> pdb=" O ARG K 320 " (cutoff:3.500A) Processing helix chain 'K' and resid 325 through 330 Processing helix chain 'K' and resid 345 through 360 removed outlier: 3.795A pdb=" N ARG K 350 " --> pdb=" O ARG K 346 " (cutoff:3.500A) removed outlier: 3.742A pdb=" N LEU K 351 " --> pdb=" O ARG K 347 " (cutoff:3.500A) removed outlier: 4.149A pdb=" N ILE K 352 " --> pdb=" O GLU K 348 " (cutoff:3.500A) removed outlier: 3.618A pdb=" N SER K 358 " --> pdb=" O GLY K 354 " (cutoff:3.500A) removed outlier: 4.183A pdb=" N LYS K 359 " --> pdb=" O THR K 355 " (cutoff:3.500A) Processing helix chain 'K' and resid 368 through 374 removed outlier: 3.507A pdb=" N ILE K 372 " --> pdb=" O LEU K 368 " (cutoff:3.500A) removed outlier: 3.606A pdb=" N ILE K 373 " --> pdb=" O ASP K 369 " (cutoff:3.500A) removed outlier: 4.021A pdb=" N ARG K 374 " --> pdb=" O SER K 370 " (cutoff:3.500A) No H-bonds generated for 'chain 'K' and resid 368 through 374' Processing helix chain 'K' and resid 379 through 397 removed outlier: 3.509A pdb=" N GLY K 391 " --> pdb=" O MET K 387 " (cutoff:3.500A) removed outlier: 3.735A pdb=" N ALA K 394 " --> pdb=" O ALA K 390 " (cutoff:3.500A) removed outlier: 3.975A pdb=" N VAL K 395 " --> pdb=" O GLY K 391 " (cutoff:3.500A) removed outlier: 4.206A pdb=" N ARG K 396 " --> pdb=" O LEU K 392 " (cutoff:3.500A) Processing helix chain 'K' and resid 403 through 415 removed outlier: 3.785A pdb=" N LEU K 407 " --> pdb=" O LEU K 403 " (cutoff:3.500A) removed outlier: 3.635A pdb=" N GLU K 408 " --> pdb=" O GLN K 404 " (cutoff:3.500A) removed outlier: 3.977A pdb=" N ALA K 412 " --> pdb=" O GLU K 408 " (cutoff:3.500A) removed outlier: 4.659A pdb=" N THR K 413 " --> pdb=" O GLU K 409 " (cutoff:3.500A) removed outlier: 4.486A pdb=" N GLN K 414 " --> pdb=" O ALA K 410 " (cutoff:3.500A) Processing helix chain 'L' and resid 68 through 77 removed outlier: 3.578A pdb=" N GLN L 73 " --> pdb=" O ARG L 69 " (cutoff:3.500A) Processing helix chain 'L' and resid 77 through 99 removed outlier: 3.738A pdb=" N ASP L 89 " --> pdb=" O GLU L 85 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N LYS L 90 " --> pdb=" O LYS L 86 " (cutoff:3.500A) removed outlier: 3.509A pdb=" N GLN L 99 " --> pdb=" O ILE L 95 " (cutoff:3.500A) Processing helix chain 'L' and resid 186 through 197 removed outlier: 3.503A pdb=" N ARG L 191 " --> pdb=" O THR L 187 " (cutoff:3.500A) removed outlier: 4.704A pdb=" N GLU L 192 " --> pdb=" O GLU L 188 " (cutoff:3.500A) removed outlier: 4.085A pdb=" N LEU L 193 " --> pdb=" O GLN L 189 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N VAL L 196 " --> pdb=" O GLU L 192 " (cutoff:3.500A) Processing helix chain 'L' and resid 197 through 203 Processing helix chain 'L' and resid 204 through 211 removed outlier: 3.701A pdb=" N GLN L 208 " --> pdb=" O PRO L 204 " (cutoff:3.500A) Processing helix chain 'L' and resid 227 through 237 removed outlier: 4.071A pdb=" N ALA L 232 " --> pdb=" O LYS L 228 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N LYS L 233 " --> pdb=" O THR L 229 " (cutoff:3.500A) removed outlier: 3.765A pdb=" N VAL L 235 " --> pdb=" O LEU L 231 " (cutoff:3.500A) removed outlier: 3.579A pdb=" N ALA L 236 " --> pdb=" O ALA L 232 " (cutoff:3.500A) Processing helix chain 'L' and resid 257 through 267 removed outlier: 3.676A pdb=" N ARG L 261 " --> pdb=" O GLY L 257 " (cutoff:3.500A) removed outlier: 4.177A pdb=" N ILE L 263 " --> pdb=" O SER L 259 " (cutoff:3.500A) removed outlier: 4.078A pdb=" N ARG L 264 " --> pdb=" O ALA L 260 " (cutoff:3.500A) removed outlier: 3.561A pdb=" N PHE L 267 " --> pdb=" O ILE L 263 " (cutoff:3.500A) Processing helix chain 'L' and resid 267 through 273 removed outlier: 3.714A pdb=" N LYS L 271 " --> pdb=" O PHE L 267 " (cutoff:3.500A) removed outlier: 3.778A pdb=" N GLU L 272 " --> pdb=" O ALA L 268 " (cutoff:3.500A) Processing helix chain 'L' and resid 294 through 297 removed outlier: 4.469A pdb=" N ALA L 297 " --> pdb=" O GLY L 294 " (cutoff:3.500A) No H-bonds generated for 'chain 'L' and resid 294 through 297' Processing helix chain 'L' and resid 298 through 312 removed outlier: 3.707A pdb=" N ARG L 303 " --> pdb=" O ARG L 299 " (cutoff:3.500A) removed outlier: 3.806A pdb=" N LEU L 308 " --> pdb=" O THR L 304 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N LEU L 309 " --> pdb=" O LEU L 305 " (cutoff:3.500A) removed outlier: 3.978A pdb=" N MET L 312 " --> pdb=" O LEU L 308 " (cutoff:3.500A) Processing helix chain 'L' and resid 334 through 339 Processing helix chain 'L' and resid 353 through 365 removed outlier: 4.343A pdb=" N GLU L 359 " --> pdb=" O ALA L 355 " (cutoff:3.500A) removed outlier: 3.860A pdb=" N ILE L 360 " --> pdb=" O GLY L 356 " (cutoff:3.500A) removed outlier: 4.284A pdb=" N LYS L 362 " --> pdb=" O LEU L 358 " (cutoff:3.500A) removed outlier: 3.546A pdb=" N ILE L 363 " --> pdb=" O GLU L 359 " (cutoff:3.500A) Processing helix chain 'L' and resid 376 through 383 removed outlier: 3.584A pdb=" N VAL L 380 " --> pdb=" O PHE L 376 " (cutoff:3.500A) removed outlier: 3.896A pdb=" N LYS L 381 " --> pdb=" O GLU L 377 " (cutoff:3.500A) Processing helix chain 'L' and resid 389 through 405 removed outlier: 3.675A pdb=" N GLY L 399 " --> pdb=" O ALA L 395 " (cutoff:3.500A) removed outlier: 3.695A pdb=" N PHE L 400 " --> pdb=" O THR L 396 " (cutoff:3.500A) removed outlier: 3.713A pdb=" N ALA L 402 " --> pdb=" O ALA L 398 " (cutoff:3.500A) removed outlier: 3.970A pdb=" N ARG L 404 " --> pdb=" O PHE L 400 " (cutoff:3.500A) removed outlier: 4.197A pdb=" N ASP L 405 " --> pdb=" O PHE L 401 " (cutoff:3.500A) Processing helix chain 'L' and resid 411 through 426 removed outlier: 3.683A pdb=" N VAL L 422 " --> pdb=" O ALA L 418 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N ALA L 423 " --> pdb=" O VAL L 419 " (cutoff:3.500A) Processing helix chain 'M' and resid 42 through 73 removed outlier: 3.630A pdb=" N LEU M 48 " --> pdb=" O PHE M 44 " (cutoff:3.500A) removed outlier: 3.730A pdb=" N SER M 52 " --> pdb=" O LEU M 48 " (cutoff:3.500A) removed outlier: 3.722A pdb=" N HIS M 53 " --> pdb=" O GLN M 49 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N LYS M 61 " --> pdb=" O VAL M 57 " (cutoff:3.500A) Processing helix chain 'M' and resid 179 through 183 removed outlier: 3.720A pdb=" N ASP M 182 " --> pdb=" O THR M 179 " (cutoff:3.500A) removed outlier: 3.638A pdb=" N VAL M 183 " --> pdb=" O TYR M 180 " (cutoff:3.500A) No H-bonds generated for 'chain 'M' and resid 179 through 183' Processing helix chain 'M' and resid 186 through 198 removed outlier: 4.384A pdb=" N GLU M 192 " --> pdb=" O LYS M 188 " (cutoff:3.500A) removed outlier: 3.558A pdb=" N GLU M 195 " --> pdb=" O GLU M 191 " (cutoff:3.500A) removed outlier: 3.766A pdb=" N ALA M 196 " --> pdb=" O GLU M 192 " (cutoff:3.500A) removed outlier: 3.561A pdb=" N ILE M 197 " --> pdb=" O LEU M 193 " (cutoff:3.500A) Processing helix chain 'M' and resid 199 through 202 Processing helix chain 'M' and resid 203 through 211 removed outlier: 4.074A pdb=" N ASP M 209 " --> pdb=" O ASP M 205 " (cutoff:3.500A) removed outlier: 3.673A pdb=" N MET M 210 " --> pdb=" O LYS M 206 " (cutoff:3.500A) Processing helix chain 'M' and resid 228 through 239 removed outlier: 3.680A pdb=" N ARG M 233 " --> pdb=" O THR M 229 " (cutoff:3.500A) removed outlier: 4.021A pdb=" N ALA M 234 " --> pdb=" O LEU M 230 " (cutoff:3.500A) removed outlier: 3.631A pdb=" N ALA M 236 " --> pdb=" O ALA M 232 " (cutoff:3.500A) removed outlier: 3.914A pdb=" N THR M 239 " --> pdb=" O CYS M 235 " (cutoff:3.500A) Processing helix chain 'M' and resid 249 through 252 removed outlier: 3.900A pdb=" N VAL M 252 " --> pdb=" O PRO M 249 " (cutoff:3.500A) No H-bonds generated for 'chain 'M' and resid 249 through 252' Processing helix chain 'M' and resid 257 through 271 removed outlier: 3.506A pdb=" N LEU M 262 " --> pdb=" O GLU M 258 " (cutoff:3.500A) removed outlier: 4.042A pdb=" N VAL M 263 " --> pdb=" O GLY M 259 " (cutoff:3.500A) Processing helix chain 'M' and resid 282 through 286 Processing helix chain 'M' and resid 301 through 313 removed outlier: 3.953A pdb=" N MET M 305 " --> pdb=" O VAL M 301 " (cutoff:3.500A) removed outlier: 4.128A pdb=" N GLU M 307 " --> pdb=" O ARG M 303 " (cutoff:3.500A) removed outlier: 3.589A pdb=" N LEU M 308 " --> pdb=" O THR M 304 " (cutoff:3.500A) removed outlier: 3.611A pdb=" N LEU M 312 " --> pdb=" O LEU M 308 " (cutoff:3.500A) removed outlier: 3.518A pdb=" N ASP M 313 " --> pdb=" O LEU M 309 " (cutoff:3.500A) Processing helix chain 'M' and resid 334 through 338 Processing helix chain 'M' and resid 353 through 365 removed outlier: 3.532A pdb=" N ARG M 357 " --> pdb=" O SER M 353 " (cutoff:3.500A) removed outlier: 3.895A pdb=" N ALA M 358 " --> pdb=" O GLU M 354 " (cutoff:3.500A) removed outlier: 3.909A pdb=" N GLN M 359 " --> pdb=" O ASP M 355 " (cutoff:3.500A) removed outlier: 3.502A pdb=" N GLN M 362 " --> pdb=" O ALA M 358 " (cutoff:3.500A) removed outlier: 3.631A pdb=" N SER M 365 " --> pdb=" O LEU M 361 " (cutoff:3.500A) Processing helix chain 'M' and resid 375 through 382 removed outlier: 3.507A pdb=" N LEU M 379 " --> pdb=" O ASN M 375 " (cutoff:3.500A) Processing helix chain 'M' and resid 387 through 406 removed outlier: 3.501A pdb=" N VAL M 394 " --> pdb=" O GLN M 390 " (cutoff:3.500A) removed outlier: 3.885A pdb=" N THR M 395 " --> pdb=" O LEU M 391 " (cutoff:3.500A) removed outlier: 3.640A pdb=" N ALA M 402 " --> pdb=" O ALA M 398 " (cutoff:3.500A) Processing helix chain 'M' and resid 411 through 421 removed outlier: 4.142A pdb=" N PHE M 415 " --> pdb=" O LYS M 411 " (cutoff:3.500A) Processing helix chain 'N' and resid 6 through 11 Processing helix chain 'N' and resid 12 through 15 removed outlier: 3.931A pdb=" N GLU N 15 " --> pdb=" O LEU N 12 " (cutoff:3.500A) No H-bonds generated for 'chain 'N' and resid 12 through 15' Processing helix chain 'N' and resid 17 through 31 removed outlier: 3.585A pdb=" N LYS N 21 " --> pdb=" O GLN N 17 " (cutoff:3.500A) removed outlier: 3.663A pdb=" N THR N 22 " --> pdb=" O ASP N 18 " (cutoff:3.500A) removed outlier: 3.772A pdb=" N ILE N 28 " --> pdb=" O ALA N 24 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N ASN N 30 " --> pdb=" O GLU N 26 " (cutoff:3.500A) removed outlier: 3.516A pdb=" N VAL N 31 " --> pdb=" O SER N 27 " (cutoff:3.500A) Processing helix chain 'N' and resid 35 through 48 removed outlier: 3.643A pdb=" N ILE N 39 " --> pdb=" O LEU N 35 " (cutoff:3.500A) removed outlier: 4.005A pdb=" N SER N 40 " --> pdb=" O TRP N 36 " (cutoff:3.500A) removed outlier: 4.928A pdb=" N ASN N 41 " --> pdb=" O SER N 37 " (cutoff:3.500A) removed outlier: 3.630A pdb=" N GLU N 42 " --> pdb=" O GLU N 38 " (cutoff:3.500A) Proline residue: N 44 - end of helix Processing helix chain 'N' and resid 49 through 52 Processing helix chain 'N' and resid 57 through 73 removed outlier: 3.583A pdb=" N LEU N 63 " --> pdb=" O GLU N 59 " (cutoff:3.500A) removed outlier: 3.565A pdb=" N LYS N 67 " --> pdb=" O LEU N 63 " (cutoff:3.500A) removed outlier: 4.360A pdb=" N TYR N 69 " --> pdb=" O ALA N 65 " (cutoff:3.500A) Processing helix chain 'N' and resid 75 through 82 removed outlier: 3.640A pdb=" N VAL N 79 " --> pdb=" O TYR N 75 " (cutoff:3.500A) removed outlier: 4.093A pdb=" N LYS N 80 " --> pdb=" O GLU N 76 " (cutoff:3.500A) removed outlier: 3.555A pdb=" N TYR N 81 " --> pdb=" O SER N 77 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N ALA N 82 " --> pdb=" O ALA N 78 " (cutoff:3.500A) No H-bonds generated for 'chain 'N' and resid 75 through 82' Processing helix chain 'N' and resid 83 through 89 removed outlier: 4.182A pdb=" N LYS N 86 " --> pdb=" O LEU N 83 " (cutoff:3.500A) removed outlier: 6.334A pdb=" N ASP N 87 " --> pdb=" O ALA N 84 " (cutoff:3.500A) Processing helix chain 'N' and resid 97 through 118 removed outlier: 4.162A pdb=" N SER N 103 " --> pdb=" O GLU N 99 " (cutoff:3.500A) removed outlier: 3.830A pdb=" N LYS N 115 " --> pdb=" O GLN N 111 " (cutoff:3.500A) removed outlier: 4.003A pdb=" N GLN N 116 " --> pdb=" O GLU N 112 " (cutoff:3.500A) removed outlier: 4.257A pdb=" N THR N 118 " --> pdb=" O SER N 114 " (cutoff:3.500A) Processing helix chain 'N' and resid 130 through 147 removed outlier: 3.604A pdb=" N ILE N 141 " --> pdb=" O PHE N 137 " (cutoff:3.500A) removed outlier: 3.691A pdb=" N ALA N 147 " --> pdb=" O LYS N 143 " (cutoff:3.500A) Processing helix chain 'N' and resid 149 through 157 removed outlier: 3.885A pdb=" N ALA N 153 " --> pdb=" O GLU N 149 " (cutoff:3.500A) removed outlier: 3.976A pdb=" N ALA N 157 " --> pdb=" O ALA N 153 " (cutoff:3.500A) Processing helix chain 'N' and resid 162 through 173 removed outlier: 4.230A pdb=" N ILE N 166 " --> pdb=" O ARG N 162 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N GLU N 167 " --> pdb=" O LEU N 163 " (cutoff:3.500A) removed outlier: 3.502A pdb=" N LYS N 171 " --> pdb=" O GLU N 167 " (cutoff:3.500A) Processing helix chain 'N' and resid 179 through 196 removed outlier: 3.568A pdb=" N LYS N 184 " --> pdb=" O SER N 180 " (cutoff:3.500A) removed outlier: 3.795A pdb=" N ILE N 194 " --> pdb=" O LEU N 190 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N THR N 195 " --> pdb=" O THR N 191 " (cutoff:3.500A) Processing helix chain 'N' and resid 199 through 216 removed outlier: 3.796A pdb=" N ARG N 203 " --> pdb=" O ASN N 199 " (cutoff:3.500A) removed outlier: 3.589A pdb=" N SER N 205 " --> pdb=" O LYS N 201 " (cutoff:3.500A) removed outlier: 3.517A pdb=" N ARG N 208 " --> pdb=" O SER N 204 " (cutoff:3.500A) removed outlier: 3.659A pdb=" N ASP N 212 " --> pdb=" O ARG N 208 " (cutoff:3.500A) removed outlier: 3.500A pdb=" N PHE N 213 " --> pdb=" O LYS N 209 " (cutoff:3.500A) removed outlier: 4.063A pdb=" N LEU N 214 " --> pdb=" O SER N 210 " (cutoff:3.500A) removed outlier: 3.753A pdb=" N ASN N 216 " --> pdb=" O ASP N 212 " (cutoff:3.500A) Processing helix chain 'N' and resid 221 through 233 removed outlier: 3.544A pdb=" N LEU N 225 " --> pdb=" O ASP N 221 " (cutoff:3.500A) removed outlier: 3.886A pdb=" N VAL N 229 " --> pdb=" O LEU N 225 " (cutoff:3.500A) removed outlier: 3.694A pdb=" N ASN N 231 " --> pdb=" O LYS N 227 " (cutoff:3.500A) Processing helix chain 'N' and resid 235 through 245 removed outlier: 3.582A pdb=" N GLN N 240 " --> pdb=" O GLY N 236 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N LEU N 241 " --> pdb=" O LEU N 237 " (cutoff:3.500A) removed outlier: 3.910A pdb=" N PHE N 242 " --> pdb=" O ALA N 238 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N LYS N 244 " --> pdb=" O GLN N 240 " (cutoff:3.500A) Processing helix chain 'N' and resid 250 through 255 removed outlier: 3.911A pdb=" N ALA N 255 " --> pdb=" O GLU N 251 " (cutoff:3.500A) Processing helix chain 'N' and resid 255 through 265 removed outlier: 4.204A pdb=" N PHE N 259 " --> pdb=" O ALA N 255 " (cutoff:3.500A) removed outlier: 4.053A pdb=" N ASP N 260 " --> pdb=" O GLN N 256 " (cutoff:3.500A) removed outlier: 3.568A pdb=" N LEU N 261 " --> pdb=" O ILE N 257 " (cutoff:3.500A) removed outlier: 3.804A pdb=" N VAL N 262 " --> pdb=" O ALA N 258 " (cutoff:3.500A) removed outlier: 4.860A pdb=" N SER N 263 " --> pdb=" O PHE N 259 " (cutoff:3.500A) removed outlier: 3.803A pdb=" N SER N 264 " --> pdb=" O ASP N 260 " (cutoff:3.500A) Processing helix chain 'N' and resid 266 through 280 removed outlier: 3.559A pdb=" N LEU N 273 " --> pdb=" O LEU N 269 " (cutoff:3.500A) removed outlier: 3.519A pdb=" N VAL N 274 " --> pdb=" O LEU N 270 " (cutoff:3.500A) removed outlier: 3.537A pdb=" N LEU N 277 " --> pdb=" O LEU N 273 " (cutoff:3.500A) removed outlier: 3.594A pdb=" N THR N 278 " --> pdb=" O VAL N 274 " (cutoff:3.500A) removed outlier: 4.141A pdb=" N ALA N 279 " --> pdb=" O THR N 275 " (cutoff:3.500A) removed outlier: 4.093A pdb=" N GLN N 280 " --> pdb=" O GLU N 276 " (cutoff:3.500A) Processing helix chain 'N' and resid 283 through 285 No H-bonds generated for 'chain 'N' and resid 283 through 285' Processing helix chain 'N' and resid 286 through 292 removed outlier: 3.853A pdb=" N LEU N 290 " --> pdb=" O LEU N 286 " (cutoff:3.500A) removed outlier: 4.119A pdb=" N SER N 291 " --> pdb=" O LEU N 287 " (cutoff:3.500A) Processing helix chain 'N' and resid 294 through 306 removed outlier: 3.504A pdb=" N TYR N 298 " --> pdb=" O PRO N 294 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N TYR N 299 " --> pdb=" O THR N 295 " (cutoff:3.500A) removed outlier: 3.888A pdb=" N ASN N 300 " --> pdb=" O CYS N 296 " (cutoff:3.500A) removed outlier: 4.402A pdb=" N THR N 301 " --> pdb=" O ASP N 297 " (cutoff:3.500A) removed outlier: 4.031A pdb=" N PHE N 302 " --> pdb=" O TYR N 298 " (cutoff:3.500A) removed outlier: 3.579A pdb=" N LEU N 304 " --> pdb=" O ASN N 300 " (cutoff:3.500A) removed outlier: 3.580A pdb=" N ASN N 306 " --> pdb=" O PHE N 302 " (cutoff:3.500A) Processing helix chain 'N' and resid 311 through 319 removed outlier: 3.830A pdb=" N ASN N 315 " --> pdb=" O ILE N 311 " (cutoff:3.500A) removed outlier: 3.635A pdb=" N SER N 317 " --> pdb=" O LEU N 313 " (cutoff:3.500A) Processing helix chain 'N' and resid 327 through 340 removed outlier: 4.004A pdb=" N ALA N 331 " --> pdb=" O LEU N 327 " (cutoff:3.500A) removed outlier: 3.785A pdb=" N SER N 333 " --> pdb=" O HIS N 329 " (cutoff:3.500A) removed outlier: 3.597A pdb=" N VAL N 334 " --> pdb=" O THR N 330 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N PHE N 338 " --> pdb=" O VAL N 334 " (cutoff:3.500A) removed outlier: 3.607A pdb=" N MET N 339 " --> pdb=" O ALA N 335 " (cutoff:3.500A) Processing helix chain 'N' and resid 353 through 359 Processing helix chain 'N' and resid 360 through 369 removed outlier: 4.061A pdb=" N THR N 366 " --> pdb=" O TRP N 362 " (cutoff:3.500A) Processing helix chain 'N' and resid 369 through 375 removed outlier: 4.102A pdb=" N VAL N 373 " --> pdb=" O ALA N 369 " (cutoff:3.500A) Processing helix chain 'N' and resid 381 through 386 removed outlier: 3.705A pdb=" N MET N 386 " --> pdb=" O GLY N 382 " (cutoff:3.500A) Processing helix chain 'N' and resid 397 through 412 removed outlier: 4.265A pdb=" N LYS N 401 " --> pdb=" O SER N 397 " (cutoff:3.500A) removed outlier: 3.540A pdb=" N GLY N 407 " --> pdb=" O GLY N 403 " (cutoff:3.500A) removed outlier: 3.599A pdb=" N GLY N 409 " --> pdb=" O LEU N 405 " (cutoff:3.500A) removed outlier: 4.270A pdb=" N LEU N 410 " --> pdb=" O TYR N 406 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N ILE N 411 " --> pdb=" O GLY N 407 " (cutoff:3.500A) removed outlier: 3.635A pdb=" N TYR N 412 " --> pdb=" O LEU N 408 " (cutoff:3.500A) Processing helix chain 'N' and resid 416 through 433 removed outlier: 4.415A pdb=" N ASP N 421 " --> pdb=" O ARG N 417 " (cutoff:3.500A) removed outlier: 4.969A pdb=" N TYR N 422 " --> pdb=" O ASP N 418 " (cutoff:3.500A) removed outlier: 3.655A pdb=" N ASN N 425 " --> pdb=" O ASP N 421 " (cutoff:3.500A) removed outlier: 3.870A pdb=" N ILE N 426 " --> pdb=" O TYR N 422 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N ILE N 427 " --> pdb=" O LEU N 423 " (cutoff:3.500A) removed outlier: 4.009A pdb=" N GLY N 432 " --> pdb=" O VAL N 428 " (cutoff:3.500A) removed outlier: 4.169A pdb=" N THR N 433 " --> pdb=" O GLU N 429 " (cutoff:3.500A) Processing helix chain 'N' and resid 436 through 454 removed outlier: 3.509A pdb=" N VAL N 441 " --> pdb=" O GLU N 437 " (cutoff:3.500A) Processing helix chain 'N' and resid 459 through 466 removed outlier: 3.512A pdb=" N TYR N 463 " --> pdb=" O ASN N 459 " (cutoff:3.500A) Processing helix chain 'N' and resid 466 through 472 removed outlier: 4.053A pdb=" N LEU N 470 " --> pdb=" O LEU N 466 " (cutoff:3.500A) removed outlier: 3.810A pdb=" N TYR N 471 " --> pdb=" O LYS N 467 " (cutoff:3.500A) removed outlier: 3.788A pdb=" N ASN N 472 " --> pdb=" O GLU N 468 " (cutoff:3.500A) No H-bonds generated for 'chain 'N' and resid 466 through 472' Processing helix chain 'N' and resid 474 through 488 removed outlier: 4.481A pdb=" N ALA N 480 " --> pdb=" O THR N 476 " (cutoff:3.500A) removed outlier: 3.568A pdb=" N ALA N 481 " --> pdb=" O SER N 477 " (cutoff:3.500A) removed outlier: 3.708A pdb=" N LEU N 483 " --> pdb=" O GLU N 479 " (cutoff:3.500A) removed outlier: 3.883A pdb=" N MET N 485 " --> pdb=" O ALA N 481 " (cutoff:3.500A) removed outlier: 3.643A pdb=" N GLY N 486 " --> pdb=" O ALA N 482 " (cutoff:3.500A) removed outlier: 4.061A pdb=" N CYS N 488 " --> pdb=" O GLY N 484 " (cutoff:3.500A) Processing helix chain 'N' and resid 495 through 507 removed outlier: 4.215A pdb=" N HIS N 499 " --> pdb=" O PRO N 495 " (cutoff:3.500A) removed outlier: 3.508A pdb=" N ASP N 500 " --> pdb=" O GLU N 496 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N GLN N 506 " --> pdb=" O PHE N 502 " (cutoff:3.500A) removed outlier: 3.637A pdb=" N GLU N 507 " --> pdb=" O THR N 503 " (cutoff:3.500A) Processing helix chain 'N' and resid 510 through 525 removed outlier: 3.920A pdb=" N ALA N 522 " --> pdb=" O ALA N 518 " (cutoff:3.500A) removed outlier: 3.629A pdb=" N LEU N 523 " --> pdb=" O VAL N 519 " (cutoff:3.500A) removed outlier: 3.864A pdb=" N ASN N 525 " --> pdb=" O LEU N 521 " (cutoff:3.500A) Processing helix chain 'N' and resid 528 through 531 Processing helix chain 'N' and resid 532 through 542 removed outlier: 3.578A pdb=" N LYS N 538 " --> pdb=" O ASP N 534 " (cutoff:3.500A) removed outlier: 3.783A pdb=" N SER N 542 " --> pdb=" O LYS N 538 " (cutoff:3.500A) Processing helix chain 'N' and resid 544 through 559 removed outlier: 4.293A pdb=" N ALA N 552 " --> pdb=" O ARG N 548 " (cutoff:3.500A) removed outlier: 4.308A pdb=" N PHE N 553 " --> pdb=" O TYR N 549 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N ILE N 555 " --> pdb=" O GLY N 551 " (cutoff:3.500A) Processing helix chain 'N' and resid 564 through 578 removed outlier: 3.679A pdb=" N VAL N 568 " --> pdb=" O ASN N 564 " (cutoff:3.500A) removed outlier: 3.656A pdb=" N LYS N 569 " --> pdb=" O ASN N 565 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N ARG N 570 " --> pdb=" O SER N 566 " (cutoff:3.500A) removed outlier: 3.589A pdb=" N ALA N 575 " --> pdb=" O LEU N 571 " (cutoff:3.500A) removed outlier: 3.603A pdb=" N VAL N 576 " --> pdb=" O LEU N 572 " (cutoff:3.500A) Processing helix chain 'N' and resid 580 through 590 removed outlier: 3.872A pdb=" N VAL N 588 " --> pdb=" O ARG N 584 " (cutoff:3.500A) Processing helix chain 'N' and resid 590 through 595 removed outlier: 3.805A pdb=" N VAL N 594 " --> pdb=" O ALA N 590 " (cutoff:3.500A) removed outlier: 3.693A pdb=" N LEU N 595 " --> pdb=" O LEU N 591 " (cutoff:3.500A) No H-bonds generated for 'chain 'N' and resid 590 through 595' Processing helix chain 'N' and resid 601 through 610 removed outlier: 3.757A pdb=" N ILE N 605 " --> pdb=" O THR N 601 " (cutoff:3.500A) removed outlier: 4.294A pdb=" N LEU N 608 " --> pdb=" O ARG N 604 " (cutoff:3.500A) removed outlier: 3.931A pdb=" N LEU N 609 " --> pdb=" O ILE N 605 " (cutoff:3.500A) Processing helix chain 'N' and resid 614 through 625 removed outlier: 3.611A pdb=" N GLY N 620 " --> pdb=" O HIS N 616 " (cutoff:3.500A) removed outlier: 4.163A pdb=" N PHE N 623 " --> pdb=" O CYS N 619 " (cutoff:3.500A) removed outlier: 4.035A pdb=" N LEU N 625 " --> pdb=" O THR N 621 " (cutoff:3.500A) Processing helix chain 'N' and resid 628 through 632 removed outlier: 3.740A pdb=" N GLY N 631 " --> pdb=" O ALA N 628 " (cutoff:3.500A) Processing helix chain 'N' and resid 634 through 646 removed outlier: 3.587A pdb=" N ILE N 638 " --> pdb=" O LEU N 634 " (cutoff:3.500A) removed outlier: 3.870A pdb=" N ASP N 639 " --> pdb=" O GLN N 635 " (cutoff:3.500A) removed outlier: 3.673A pdb=" N VAL N 640 " --> pdb=" O SER N 636 " (cutoff:3.500A) Proline residue: N 643 - end of helix Processing helix chain 'N' and resid 649 through 664 removed outlier: 3.541A pdb=" N ARG N 653 " --> pdb=" O VAL N 649 " (cutoff:3.500A) removed outlier: 3.714A pdb=" N ILE N 658 " --> pdb=" O GLN N 654 " (cutoff:3.500A) Processing helix chain 'N' and resid 674 through 688 removed outlier: 3.543A pdb=" N PHE N 682 " --> pdb=" O ILE N 678 " (cutoff:3.500A) removed outlier: 3.978A pdb=" N LEU N 683 " --> pdb=" O ASN N 679 " (cutoff:3.500A) removed outlier: 3.994A pdb=" N ILE N 686 " --> pdb=" O PHE N 682 " (cutoff:3.500A) Processing helix chain 'N' and resid 696 through 707 removed outlier: 3.935A pdb=" N CYS N 700 " --> pdb=" O LYS N 696 " (cutoff:3.500A) removed outlier: 3.506A pdb=" N GLN N 703 " --> pdb=" O ALA N 699 " (cutoff:3.500A) removed outlier: 3.805A pdb=" N GLY N 704 " --> pdb=" O CYS N 700 " (cutoff:3.500A) removed outlier: 3.584A pdb=" N MET N 706 " --> pdb=" O ALA N 702 " (cutoff:3.500A) removed outlier: 3.932A pdb=" N ASN N 707 " --> pdb=" O GLN N 703 " (cutoff:3.500A) Processing helix chain 'N' and resid 708 through 711 Processing helix chain 'N' and resid 726 through 737 removed outlier: 3.816A pdb=" N MET N 735 " --> pdb=" O VAL N 731 " (cutoff:3.500A) Processing helix chain 'N' and resid 744 through 751 removed outlier: 3.532A pdb=" N HIS N 747 " --> pdb=" O PRO N 744 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N SER N 750 " --> pdb=" O HIS N 747 " (cutoff:3.500A) removed outlier: 3.518A pdb=" N LEU N 751 " --> pdb=" O PHE N 748 " (cutoff:3.500A) Processing helix chain 'N' and resid 920 through 925 removed outlier: 3.556A pdb=" N LYS N 924 " --> pdb=" O VAL N 920 " (cutoff:3.500A) Processing helix chain 'O' and resid 2 through 14 removed outlier: 3.841A pdb=" N ASP O 8 " --> pdb=" O ASN O 4 " (cutoff:3.500A) removed outlier: 4.566A pdb=" N THR O 9 " --> pdb=" O HIS O 5 " (cutoff:3.500A) Processing helix chain 'O' and resid 27 through 34 removed outlier: 3.666A pdb=" N LYS O 31 " --> pdb=" O GLU O 27 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N TYR O 33 " --> pdb=" O PHE O 29 " (cutoff:3.500A) removed outlier: 3.593A pdb=" N GLU O 34 " --> pdb=" O GLU O 30 " (cutoff:3.500A) Processing helix chain 'O' and resid 45 through 50 removed outlier: 3.972A pdb=" N PHE O 49 " --> pdb=" O LEU O 45 " (cutoff:3.500A) removed outlier: 3.567A pdb=" N ASP O 50 " --> pdb=" O THR O 46 " (cutoff:3.500A) No H-bonds generated for 'chain 'O' and resid 45 through 50' Processing helix chain 'O' and resid 51 through 55 removed outlier: 4.305A pdb=" N SER O 54 " --> pdb=" O ASP O 51 " (cutoff:3.500A) Processing helix chain 'O' and resid 58 through 65 removed outlier: 3.921A pdb=" N ASN O 64 " --> pdb=" O ARG O 60 " (cutoff:3.500A) Processing helix chain 'O' and resid 65 through 70 removed outlier: 3.777A pdb=" N PHE O 69 " --> pdb=" O PHE O 65 " (cutoff:3.500A) Processing helix chain 'O' and resid 81 through 84 Processing helix chain 'O' and resid 85 through 90 removed outlier: 4.240A pdb=" N SER O 89 " --> pdb=" O SER O 85 " (cutoff:3.500A) Processing helix chain 'O' and resid 94 through 103 removed outlier: 4.424A pdb=" N TYR O 98 " --> pdb=" O GLU O 94 " (cutoff:3.500A) removed outlier: 3.549A pdb=" N LEU O 99 " --> pdb=" O SER O 95 " (cutoff:3.500A) removed outlier: 3.794A pdb=" N ASP O 100 " --> pdb=" O LEU O 96 " (cutoff:3.500A) removed outlier: 3.685A pdb=" N LEU O 102 " --> pdb=" O TYR O 98 " (cutoff:3.500A) Processing helix chain 'O' and resid 126 through 137 removed outlier: 4.130A pdb=" N ASP O 130 " --> pdb=" O ILE O 126 " (cutoff:3.500A) removed outlier: 3.640A pdb=" N ALA O 134 " --> pdb=" O ASP O 130 " (cutoff:3.500A) Processing helix chain 'O' and resid 143 through 160 removed outlier: 3.798A pdb=" N LEU O 149 " --> pdb=" O LYS O 145 " (cutoff:3.500A) removed outlier: 4.494A pdb=" N ASP O 152 " --> pdb=" O ASP O 148 " (cutoff:3.500A) removed outlier: 3.885A pdb=" N LEU O 153 " --> pdb=" O LEU O 149 " (cutoff:3.500A) Processing helix chain 'O' and resid 166 through 179 removed outlier: 4.010A pdb=" N SER O 170 " --> pdb=" O ARG O 166 " (cutoff:3.500A) removed outlier: 3.715A pdb=" N THR O 174 " --> pdb=" O SER O 170 " (cutoff:3.500A) removed outlier: 3.521A pdb=" N ASN O 175 " --> pdb=" O PHE O 171 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N GLN O 177 " --> pdb=" O SER O 173 " (cutoff:3.500A) Processing helix chain 'O' and resid 185 through 198 removed outlier: 3.527A pdb=" N LEU O 194 " --> pdb=" O TYR O 190 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N THR O 198 " --> pdb=" O LEU O 194 " (cutoff:3.500A) Processing helix chain 'O' and resid 206 through 224 removed outlier: 3.654A pdb=" N ARG O 210 " --> pdb=" O THR O 206 " (cutoff:3.500A) removed outlier: 3.597A pdb=" N GLN O 212 " --> pdb=" O ALA O 208 " (cutoff:3.500A) removed outlier: 3.646A pdb=" N TYR O 215 " --> pdb=" O GLN O 211 " (cutoff:3.500A) removed outlier: 4.091A pdb=" N ASP O 216 " --> pdb=" O GLN O 212 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N ILE O 219 " --> pdb=" O TYR O 215 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N LEU O 222 " --> pdb=" O SER O 218 " (cutoff:3.500A) Processing helix chain 'O' and resid 230 through 236 removed outlier: 3.545A pdb=" N LEU O 234 " --> pdb=" O PHE O 230 " (cutoff:3.500A) removed outlier: 3.723A pdb=" N HIS O 235 " --> pdb=" O GLY O 231 " (cutoff:3.500A) removed outlier: 3.599A pdb=" N HIS O 236 " --> pdb=" O GLU O 232 " (cutoff:3.500A) No H-bonds generated for 'chain 'O' and resid 230 through 236' Processing helix chain 'O' and resid 238 through 242 Processing helix chain 'O' and resid 248 through 261 removed outlier: 4.079A pdb=" N PHE O 252 " --> pdb=" O TYR O 248 " (cutoff:3.500A) removed outlier: 4.230A pdb=" N LEU O 255 " --> pdb=" O LEU O 251 " (cutoff:3.500A) removed outlier: 4.425A pdb=" N ASN O 256 " --> pdb=" O PHE O 252 " (cutoff:3.500A) Processing helix chain 'O' and resid 262 through 270 removed outlier: 4.003A pdb=" N PHE O 266 " --> pdb=" O ASP O 262 " (cutoff:3.500A) removed outlier: 3.803A pdb=" N ASP O 267 " --> pdb=" O PHE O 263 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N SER O 268 " --> pdb=" O ASP O 264 " (cutoff:3.500A) Processing helix chain 'O' and resid 271 through 276 removed outlier: 3.586A pdb=" N LYS O 276 " --> pdb=" O VAL O 272 " (cutoff:3.500A) Processing helix chain 'O' and resid 277 through 284 removed outlier: 3.554A pdb=" N ALA O 281 " --> pdb=" O ILE O 277 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N GLN O 282 " --> pdb=" O PRO O 278 " (cutoff:3.500A) Processing helix chain 'O' and resid 285 through 301 removed outlier: 3.769A pdb=" N GLN O 289 " --> pdb=" O SER O 285 " (cutoff:3.500A) removed outlier: 3.919A pdb=" N LYS O 290 " --> pdb=" O PHE O 286 " (cutoff:3.500A) removed outlier: 3.853A pdb=" N ILE O 291 " --> pdb=" O LEU O 287 " (cutoff:3.500A) removed outlier: 3.576A pdb=" N ILE O 297 " --> pdb=" O LEU O 293 " (cutoff:3.500A) removed outlier: 3.808A pdb=" N GLU O 298 " --> pdb=" O MET O 294 " (cutoff:3.500A) Processing helix chain 'O' and resid 309 through 318 removed outlier: 3.606A pdb=" N ILE O 313 " --> pdb=" O SER O 309 " (cutoff:3.500A) Processing helix chain 'O' and resid 320 through 334 removed outlier: 3.923A pdb=" N GLU O 325 " --> pdb=" O LYS O 321 " (cutoff:3.500A) removed outlier: 4.008A pdb=" N HIS O 326 " --> pdb=" O ASP O 322 " (cutoff:3.500A) removed outlier: 3.737A pdb=" N VAL O 328 " --> pdb=" O VAL O 324 " (cutoff:3.500A) removed outlier: 4.239A pdb=" N MET O 329 " --> pdb=" O GLU O 325 " (cutoff:3.500A) removed outlier: 3.557A pdb=" N ALA O 331 " --> pdb=" O LEU O 327 " (cutoff:3.500A) Processing helix chain 'O' and resid 361 through 387 removed outlier: 3.849A pdb=" N LYS O 365 " --> pdb=" O ASP O 361 " (cutoff:3.500A) removed outlier: 4.150A pdb=" N ASP O 368 " --> pdb=" O THR O 364 " (cutoff:3.500A) removed outlier: 3.680A pdb=" N ARG O 369 " --> pdb=" O LYS O 365 " (cutoff:3.500A) removed outlier: 3.735A pdb=" N LYS O 383 " --> pdb=" O LYS O 379 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N MET O 384 " --> pdb=" O LEU O 380 " (cutoff:3.500A) removed outlier: 3.591A pdb=" N GLU O 385 " --> pdb=" O GLY O 381 " (cutoff:3.500A) Processing helix chain 'P' and resid 15 through 19 removed outlier: 3.505A pdb=" N GLU P 19 " --> pdb=" O ILE P 16 " (cutoff:3.500A) Processing helix chain 'P' and resid 21 through 25 removed outlier: 3.536A pdb=" N ILE P 24 " --> pdb=" O PHE P 21 " (cutoff:3.500A) Processing helix chain 'P' and resid 30 through 45 removed outlier: 3.576A pdb=" N LEU P 36 " --> pdb=" O CYS P 32 " (cutoff:3.500A) removed outlier: 3.660A pdb=" N LEU P 40 " --> pdb=" O LEU P 36 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N VAL P 41 " --> pdb=" O ASP P 37 " (cutoff:3.500A) removed outlier: 3.856A pdb=" N LYS P 44 " --> pdb=" O LEU P 40 " (cutoff:3.500A) removed outlier: 3.972A pdb=" N LYS P 45 " --> pdb=" O VAL P 41 " (cutoff:3.500A) Processing helix chain 'P' and resid 55 through 66 removed outlier: 3.851A pdb=" N LEU P 59 " --> pdb=" O SER P 55 " (cutoff:3.500A) removed outlier: 4.725A pdb=" N ILE P 62 " --> pdb=" O VAL P 58 " (cutoff:3.500A) removed outlier: 5.308A pdb=" N VAL P 63 " --> pdb=" O LEU P 59 " (cutoff:3.500A) removed outlier: 3.810A pdb=" N ASP P 64 " --> pdb=" O ALA P 60 " (cutoff:3.500A) removed outlier: 3.703A pdb=" N LEU P 66 " --> pdb=" O ILE P 62 " (cutoff:3.500A) Processing helix chain 'P' and resid 71 through 85 removed outlier: 4.103A pdb=" N LEU P 75 " --> pdb=" O LYS P 71 " (cutoff:3.500A) Processing helix chain 'P' and resid 91 through 108 removed outlier: 3.912A pdb=" N TYR P 95 " --> pdb=" O LEU P 91 " (cutoff:3.500A) removed outlier: 3.726A pdb=" N GLN P 98 " --> pdb=" O GLN P 94 " (cutoff:3.500A) removed outlier: 4.251A pdb=" N GLU P 102 " --> pdb=" O GLN P 98 " (cutoff:3.500A) removed outlier: 4.395A pdb=" N TYR P 103 " --> pdb=" O LYS P 99 " (cutoff:3.500A) removed outlier: 3.991A pdb=" N LEU P 104 " --> pdb=" O VAL P 100 " (cutoff:3.500A) removed outlier: 4.652A pdb=" N LYS P 105 " --> pdb=" O MET P 101 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N SER P 106 " --> pdb=" O GLU P 102 " (cutoff:3.500A) removed outlier: 3.661A pdb=" N LYS P 108 " --> pdb=" O LEU P 104 " (cutoff:3.500A) Processing helix chain 'P' and resid 110 through 122 removed outlier: 4.482A pdb=" N THR P 114 " --> pdb=" O LEU P 110 " (cutoff:3.500A) removed outlier: 4.146A pdb=" N ILE P 116 " --> pdb=" O LEU P 112 " (cutoff:3.500A) removed outlier: 4.643A pdb=" N SER P 117 " --> pdb=" O ASN P 113 " (cutoff:3.500A) Processing helix chain 'P' and resid 122 through 127 removed outlier: 3.774A pdb=" N THR P 126 " --> pdb=" O ILE P 122 " (cutoff:3.500A) Processing helix chain 'P' and resid 135 through 151 Processing helix chain 'P' and resid 152 through 164 removed outlier: 3.701A pdb=" N ALA P 156 " --> pdb=" O LYS P 152 " (cutoff:3.500A) removed outlier: 3.516A pdb=" N ALA P 157 " --> pdb=" O ILE P 153 " (cutoff:3.500A) removed outlier: 3.691A pdb=" N ILE P 159 " --> pdb=" O GLU P 155 " (cutoff:3.500A) removed outlier: 3.943A pdb=" N LEU P 160 " --> pdb=" O ALA P 156 " (cutoff:3.500A) removed outlier: 3.896A pdb=" N GLU P 162 " --> pdb=" O ASP P 158 " (cutoff:3.500A) removed outlier: 3.666A pdb=" N LEU P 163 " --> pdb=" O ILE P 159 " (cutoff:3.500A) Processing helix chain 'P' and resid 173 through 191 removed outlier: 3.525A pdb=" N ILE P 177 " --> pdb=" O MET P 173 " (cutoff:3.500A) removed outlier: 3.694A pdb=" N GLN P 178 " --> pdb=" O SER P 174 " (cutoff:3.500A) removed outlier: 4.153A pdb=" N GLN P 183 " --> pdb=" O PHE P 179 " (cutoff:3.500A) removed outlier: 4.225A pdb=" N MET P 184 " --> pdb=" O ILE P 180 " (cutoff:3.500A) removed outlier: 3.525A pdb=" N GLU P 185 " --> pdb=" O LEU P 181 " (cutoff:3.500A) removed outlier: 3.918A pdb=" N ILE P 188 " --> pdb=" O MET P 184 " (cutoff:3.500A) removed outlier: 3.800A pdb=" N LEU P 189 " --> pdb=" O GLU P 185 " (cutoff:3.500A) removed outlier: 3.518A pdb=" N GLY P 191 " --> pdb=" O SER P 187 " (cutoff:3.500A) Processing helix chain 'P' and resid 194 through 200 removed outlier: 4.212A pdb=" N VAL P 198 " --> pdb=" O SER P 194 " (cutoff:3.500A) removed outlier: 4.219A pdb=" N LEU P 199 " --> pdb=" O GLN P 195 " (cutoff:3.500A) Processing helix chain 'P' and resid 202 through 207 Processing helix chain 'P' and resid 213 through 232 removed outlier: 3.549A pdb=" N LEU P 218 " --> pdb=" O GLU P 214 " (cutoff:3.500A) removed outlier: 4.484A pdb=" N GLU P 219 " --> pdb=" O SER P 215 " (cutoff:3.500A) removed outlier: 4.061A pdb=" N TYR P 220 " --> pdb=" O LEU P 216 " (cutoff:3.500A) removed outlier: 3.939A pdb=" N ASN P 222 " --> pdb=" O LEU P 218 " (cutoff:3.500A) removed outlier: 3.698A pdb=" N LEU P 224 " --> pdb=" O TYR P 220 " (cutoff:3.500A) removed outlier: 4.838A pdb=" N VAL P 225 " --> pdb=" O TYR P 221 " (cutoff:3.500A) removed outlier: 4.090A pdb=" N SER P 228 " --> pdb=" O LEU P 224 " (cutoff:3.500A) removed outlier: 3.811A pdb=" N HIS P 230 " --> pdb=" O LYS P 226 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N LYS P 231 " --> pdb=" O ILE P 227 " (cutoff:3.500A) Processing helix chain 'P' and resid 236 through 247 removed outlier: 3.744A pdb=" N TYR P 240 " --> pdb=" O GLU P 236 " (cutoff:3.500A) removed outlier: 3.600A pdb=" N LEU P 241 " --> pdb=" O VAL P 237 " (cutoff:3.500A) removed outlier: 3.790A pdb=" N GLN P 242 " --> pdb=" O ALA P 238 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N ILE P 244 " --> pdb=" O TYR P 240 " (cutoff:3.500A) Processing helix chain 'P' and resid 253 through 258 removed outlier: 3.586A pdb=" N LYS P 258 " --> pdb=" O GLU P 254 " (cutoff:3.500A) Processing helix chain 'P' and resid 259 through 271 removed outlier: 3.920A pdb=" N HIS P 263 " --> pdb=" O PRO P 259 " (cutoff:3.500A) removed outlier: 3.604A pdb=" N ILE P 264 " --> pdb=" O VAL P 260 " (cutoff:3.500A) removed outlier: 3.602A pdb=" N TYR P 266 " --> pdb=" O SER P 262 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N LEU P 268 " --> pdb=" O ILE P 264 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N VAL P 269 " --> pdb=" O VAL P 265 " (cutoff:3.500A) removed outlier: 3.784A pdb=" N LEU P 270 " --> pdb=" O TYR P 266 " (cutoff:3.500A) Processing helix chain 'P' and resid 276 through 282 removed outlier: 3.584A pdb=" N LEU P 280 " --> pdb=" O LEU P 276 " (cutoff:3.500A) removed outlier: 3.521A pdb=" N ILE P 281 " --> pdb=" O GLN P 277 " (cutoff:3.500A) removed outlier: 3.821A pdb=" N HIS P 282 " --> pdb=" O ASN P 278 " (cutoff:3.500A) No H-bonds generated for 'chain 'P' and resid 276 through 282' Processing helix chain 'P' and resid 283 through 288 removed outlier: 3.947A pdb=" N ASP P 287 " --> pdb=" O LYS P 283 " (cutoff:3.500A) removed outlier: 3.901A pdb=" N ASN P 288 " --> pdb=" O ILE P 284 " (cutoff:3.500A) No H-bonds generated for 'chain 'P' and resid 283 through 288' Processing helix chain 'P' and resid 290 through 301 removed outlier: 3.572A pdb=" N GLU P 294 " --> pdb=" O LEU P 290 " (cutoff:3.500A) removed outlier: 3.676A pdb=" N LYS P 301 " --> pdb=" O GLU P 297 " (cutoff:3.500A) Processing helix chain 'P' and resid 301 through 306 removed outlier: 4.377A pdb=" N THR P 305 " --> pdb=" O LYS P 301 " (cutoff:3.500A) Processing helix chain 'P' and resid 310 through 316 Processing helix chain 'P' and resid 333 through 356 removed outlier: 4.319A pdb=" N ASP P 340 " --> pdb=" O HIS P 336 " (cutoff:3.500A) removed outlier: 3.899A pdb=" N LEU P 341 " --> pdb=" O HIS P 337 " (cutoff:3.500A) removed outlier: 3.630A pdb=" N GLN P 342 " --> pdb=" O TRP P 338 " (cutoff:3.500A) removed outlier: 4.178A pdb=" N LYS P 343 " --> pdb=" O GLU P 339 " (cutoff:3.500A) removed outlier: 3.517A pdb=" N VAL P 352 " --> pdb=" O HIS P 348 " (cutoff:3.500A) Processing helix chain 'P' and resid 362 through 370 Processing helix chain 'P' and resid 372 through 386 removed outlier: 3.564A pdb=" N GLU P 377 " --> pdb=" O GLU P 373 " (cutoff:3.500A) removed outlier: 3.846A pdb=" N TYR P 379 " --> pdb=" O GLN P 375 " (cutoff:3.500A) removed outlier: 3.619A pdb=" N ASN P 385 " --> pdb=" O SER P 381 " (cutoff:3.500A) Processing helix chain 'P' and resid 407 through 436 removed outlier: 4.549A pdb=" N THR P 434 " --> pdb=" O GLY P 430 " (cutoff:3.500A) Processing helix chain 'P' and resid 436 through 441 Processing helix chain 'Q' and resid 3 through 18 removed outlier: 3.639A pdb=" N LYS Q 7 " --> pdb=" O LEU Q 3 " (cutoff:3.500A) removed outlier: 3.537A pdb=" N GLU Q 10 " --> pdb=" O SER Q 6 " (cutoff:3.500A) removed outlier: 3.571A pdb=" N ARG Q 13 " --> pdb=" O GLU Q 9 " (cutoff:3.500A) removed outlier: 3.581A pdb=" N VAL Q 15 " --> pdb=" O ALA Q 11 " (cutoff:3.500A) removed outlier: 4.541A pdb=" N ASN Q 16 " --> pdb=" O ARG Q 12 " (cutoff:3.500A) Processing helix chain 'Q' and resid 19 through 29 removed outlier: 4.055A pdb=" N ALA Q 23 " --> pdb=" O GLN Q 19 " (cutoff:3.500A) removed outlier: 3.582A pdb=" N VAL Q 26 " --> pdb=" O GLU Q 22 " (cutoff:3.500A) Processing helix chain 'Q' and resid 50 through 63 removed outlier: 3.665A pdb=" N ILE Q 58 " --> pdb=" O GLN Q 54 " (cutoff:3.500A) removed outlier: 3.882A pdb=" N GLN Q 63 " --> pdb=" O LEU Q 59 " (cutoff:3.500A) Processing helix chain 'Q' and resid 64 through 69 removed outlier: 3.903A pdb=" N MET Q 68 " --> pdb=" O LEU Q 64 " (cutoff:3.500A) Processing helix chain 'Q' and resid 72 through 75 removed outlier: 3.815A pdb=" N ARG Q 75 " --> pdb=" O ASP Q 72 " (cutoff:3.500A) No H-bonds generated for 'chain 'Q' and resid 72 through 75' Processing helix chain 'Q' and resid 76 through 85 removed outlier: 3.598A pdb=" N HIS Q 80 " --> pdb=" O GLU Q 76 " (cutoff:3.500A) removed outlier: 3.889A pdb=" N SER Q 81 " --> pdb=" O PHE Q 77 " (cutoff:3.500A) removed outlier: 4.007A pdb=" N THR Q 82 " --> pdb=" O ILE Q 78 " (cutoff:3.500A) removed outlier: 3.994A pdb=" N GLU Q 83 " --> pdb=" O PRO Q 79 " (cutoff:3.500A) removed outlier: 3.593A pdb=" N TYR Q 84 " --> pdb=" O HIS Q 80 " (cutoff:3.500A) Processing helix chain 'Q' and resid 89 through 91 No H-bonds generated for 'chain 'Q' and resid 89 through 91' Processing helix chain 'Q' and resid 92 through 105 removed outlier: 3.769A pdb=" N LEU Q 100 " --> pdb=" O VAL Q 96 " (cutoff:3.500A) removed outlier: 4.909A pdb=" N ILE Q 101 " --> pdb=" O LEU Q 97 " (cutoff:3.500A) Processing helix chain 'Q' and resid 110 through 128 removed outlier: 3.573A pdb=" N CYS Q 118 " --> pdb=" O GLN Q 114 " (cutoff:3.500A) removed outlier: 3.662A pdb=" N PHE Q 124 " --> pdb=" O LYS Q 120 " (cutoff:3.500A) removed outlier: 3.712A pdb=" N ALA Q 125 " --> pdb=" O SER Q 121 " (cutoff:3.500A) removed outlier: 3.819A pdb=" N GLU Q 128 " --> pdb=" O PHE Q 124 " (cutoff:3.500A) Processing helix chain 'Q' and resid 131 through 149 removed outlier: 3.522A pdb=" N LYS Q 140 " --> pdb=" O SER Q 136 " (cutoff:3.500A) removed outlier: 3.669A pdb=" N GLN Q 147 " --> pdb=" O THR Q 143 " (cutoff:3.500A) removed outlier: 3.534A pdb=" N LYS Q 148 " --> pdb=" O LEU Q 144 " (cutoff:3.500A) Processing helix chain 'Q' and resid 150 through 166 removed outlier: 3.514A pdb=" N SER Q 154 " --> pdb=" O GLN Q 150 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N LEU Q 157 " --> pdb=" O ASP Q 153 " (cutoff:3.500A) removed outlier: 3.632A pdb=" N GLU Q 164 " --> pdb=" O ASP Q 160 " (cutoff:3.500A) removed outlier: 3.722A pdb=" N LYS Q 166 " --> pdb=" O LEU Q 162 " (cutoff:3.500A) Processing helix chain 'Q' and resid 173 through 188 removed outlier: 3.584A pdb=" N VAL Q 177 " --> pdb=" O SER Q 173 " (cutoff:3.500A) removed outlier: 3.606A pdb=" N LYS Q 187 " --> pdb=" O LYS Q 183 " (cutoff:3.500A) removed outlier: 3.687A pdb=" N LEU Q 188 " --> pdb=" O VAL Q 184 " (cutoff:3.500A) Processing helix chain 'Q' and resid 190 through 208 removed outlier: 3.677A pdb=" N SER Q 194 " --> pdb=" O ASN Q 190 " (cutoff:3.500A) removed outlier: 3.753A pdb=" N ALA Q 204 " --> pdb=" O ALA Q 200 " (cutoff:3.500A) removed outlier: 3.734A pdb=" N ASN Q 206 " --> pdb=" O ARG Q 202 " (cutoff:3.500A) removed outlier: 3.912A pdb=" N SER Q 207 " --> pdb=" O THR Q 203 " (cutoff:3.500A) Processing helix chain 'Q' and resid 211 through 225 removed outlier: 3.644A pdb=" N GLY Q 223 " --> pdb=" O ASP Q 219 " (cutoff:3.500A) removed outlier: 3.577A pdb=" N ILE Q 224 " --> pdb=" O LEU Q 220 " (cutoff:3.500A) removed outlier: 3.521A pdb=" N LEU Q 225 " --> pdb=" O MET Q 221 " (cutoff:3.500A) Processing helix chain 'Q' and resid 226 through 228 No H-bonds generated for 'chain 'Q' and resid 226 through 228' Processing helix chain 'Q' and resid 231 through 250 removed outlier: 3.941A pdb=" N ALA Q 235 " --> pdb=" O ASP Q 231 " (cutoff:3.500A) removed outlier: 3.872A pdb=" N SER Q 237 " --> pdb=" O LYS Q 233 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N TYR Q 238 " --> pdb=" O THR Q 234 " (cutoff:3.500A) removed outlier: 3.877A pdb=" N GLU Q 244 " --> pdb=" O PHE Q 240 " (cutoff:3.500A) removed outlier: 3.832A pdb=" N SER Q 245 " --> pdb=" O GLU Q 241 " (cutoff:3.500A) removed outlier: 3.673A pdb=" N THR Q 250 " --> pdb=" O TYR Q 246 " (cutoff:3.500A) Processing helix chain 'Q' and resid 251 through 253 No H-bonds generated for 'chain 'Q' and resid 251 through 253' Processing helix chain 'Q' and resid 254 through 272 removed outlier: 4.034A pdb=" N ALA Q 258 " --> pdb=" O SER Q 254 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N LEU Q 266 " --> pdb=" O LEU Q 262 " (cutoff:3.500A) removed outlier: 3.606A pdb=" N MET Q 271 " --> pdb=" O LEU Q 267 " (cutoff:3.500A) removed outlier: 3.536A pdb=" N LEU Q 272 " --> pdb=" O SER Q 268 " (cutoff:3.500A) Processing helix chain 'Q' and resid 275 through 283 removed outlier: 4.255A pdb=" N ILE Q 281 " --> pdb=" O ASP Q 277 " (cutoff:3.500A) removed outlier: 3.704A pdb=" N LEU Q 282 " --> pdb=" O VAL Q 278 " (cutoff:3.500A) Processing helix chain 'Q' and resid 284 through 289 removed outlier: 4.077A pdb=" N LYS Q 288 " --> pdb=" O ALA Q 284 " (cutoff:3.500A) Processing helix chain 'Q' and resid 293 through 309 removed outlier: 3.997A pdb=" N MET Q 299 " --> pdb=" O GLY Q 295 " (cutoff:3.500A) removed outlier: 4.155A pdb=" N LYS Q 300 " --> pdb=" O ILE Q 296 " (cutoff:3.500A) removed outlier: 3.589A pdb=" N ALA Q 301 " --> pdb=" O ASP Q 297 " (cutoff:3.500A) Processing helix chain 'Q' and resid 310 through 321 removed outlier: 3.625A pdb=" N PHE Q 314 " --> pdb=" O SER Q 310 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N ALA Q 317 " --> pdb=" O ASP Q 313 " (cutoff:3.500A) removed outlier: 3.845A pdb=" N LYS Q 319 " --> pdb=" O ASN Q 315 " (cutoff:3.500A) removed outlier: 3.915A pdb=" N GLN Q 320 " --> pdb=" O THR Q 316 " (cutoff:3.500A) Processing helix chain 'Q' and resid 324 through 327 Processing helix chain 'Q' and resid 328 through 351 removed outlier: 3.999A pdb=" N SER Q 333 " --> pdb=" O GLU Q 329 " (cutoff:3.500A) removed outlier: 4.521A pdb=" N HIS Q 334 " --> pdb=" O LEU Q 330 " (cutoff:3.500A) removed outlier: 3.534A pdb=" N PHE Q 335 " --> pdb=" O THR Q 331 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N ALA Q 337 " --> pdb=" O SER Q 333 " (cutoff:3.500A) removed outlier: 4.078A pdb=" N ASP Q 340 " --> pdb=" O ASN Q 336 " (cutoff:3.500A) removed outlier: 3.737A pdb=" N CYS Q 348 " --> pdb=" O GLU Q 344 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N LYS Q 349 " --> pdb=" O SER Q 345 " (cutoff:3.500A) Processing helix chain 'Q' and resid 358 through 367 Processing helix chain 'Q' and resid 369 through 383 removed outlier: 3.601A pdb=" N GLN Q 379 " --> pdb=" O GLY Q 375 " (cutoff:3.500A) removed outlier: 3.799A pdb=" N MET Q 380 " --> pdb=" O LYS Q 376 " (cutoff:3.500A) removed outlier: 3.615A pdb=" N ILE Q 381 " --> pdb=" O LEU Q 377 " (cutoff:3.500A) Processing helix chain 'Q' and resid 409 through 424 removed outlier: 3.502A pdb=" N GLU Q 414 " --> pdb=" O ASP Q 410 " (cutoff:3.500A) removed outlier: 3.633A pdb=" N LEU Q 415 " --> pdb=" O SER Q 411 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N GLN Q 418 " --> pdb=" O GLU Q 414 " (cutoff:3.500A) removed outlier: 3.830A pdb=" N LYS Q 421 " --> pdb=" O GLY Q 417 " (cutoff:3.500A) removed outlier: 3.626A pdb=" N ASP Q 424 " --> pdb=" O ASN Q 420 " (cutoff:3.500A) Processing helix chain 'Q' and resid 425 through 431 removed outlier: 4.223A pdb=" N LYS Q 429 " --> pdb=" O GLN Q 425 " (cutoff:3.500A) removed outlier: 3.883A pdb=" N SER Q 431 " --> pdb=" O PHE Q 427 " (cutoff:3.500A) Processing helix chain 'R' and resid 28 through 33 removed outlier: 4.308A pdb=" N LEU R 33 " --> pdb=" O LYS R 29 " (cutoff:3.500A) Processing helix chain 'R' and resid 40 through 57 removed outlier: 3.970A pdb=" N LYS R 44 " --> pdb=" O ILE R 40 " (cutoff:3.500A) removed outlier: 3.652A pdb=" N GLU R 45 " --> pdb=" O GLU R 41 " (cutoff:3.500A) removed outlier: 3.730A pdb=" N LEU R 51 " --> pdb=" O ALA R 47 " (cutoff:3.500A) removed outlier: 3.853A pdb=" N ILE R 54 " --> pdb=" O VAL R 50 " (cutoff:3.500A) removed outlier: 4.077A pdb=" N LYS R 55 " --> pdb=" O LEU R 51 " (cutoff:3.500A) Processing helix chain 'R' and resid 60 through 64 Processing helix chain 'R' and resid 65 through 70 removed outlier: 4.024A pdb=" N TYR R 70 " --> pdb=" O LEU R 66 " (cutoff:3.500A) Processing helix chain 'R' and resid 95 through 124 removed outlier: 3.864A pdb=" N TYR R 99 " --> pdb=" O ASP R 95 " (cutoff:3.500A) removed outlier: 3.720A pdb=" N GLU R 101 " --> pdb=" O GLU R 97 " (cutoff:3.500A) removed outlier: 3.501A pdb=" N LYS R 104 " --> pdb=" O ASN R 100 " (cutoff:3.500A) removed outlier: 3.828A pdb=" N LYS R 105 " --> pdb=" O GLU R 101 " (cutoff:3.500A) removed outlier: 3.605A pdb=" N LYS R 111 " --> pdb=" O GLU R 107 " (cutoff:3.500A) removed outlier: 3.643A pdb=" N GLU R 112 " --> pdb=" O SER R 108 " (cutoff:3.500A) removed outlier: 3.701A pdb=" N LYS R 119 " --> pdb=" O GLU R 115 " (cutoff:3.500A) Processing helix chain 'R' and resid 127 through 144 removed outlier: 3.892A pdb=" N TRP R 134 " --> pdb=" O GLN R 130 " (cutoff:3.500A) removed outlier: 3.526A pdb=" N LEU R 137 " --> pdb=" O ALA R 133 " (cutoff:3.500A) removed outlier: 3.793A pdb=" N ALA R 142 " --> pdb=" O GLY R 138 " (cutoff:3.500A) Processing helix chain 'R' and resid 147 through 160 removed outlier: 3.595A pdb=" N THR R 153 " --> pdb=" O ASN R 149 " (cutoff:3.500A) removed outlier: 3.634A pdb=" N LEU R 154 " --> pdb=" O ALA R 150 " (cutoff:3.500A) removed outlier: 3.771A pdb=" N GLY R 155 " --> pdb=" O GLU R 151 " (cutoff:3.500A) removed outlier: 3.696A pdb=" N LYS R 156 " --> pdb=" O LYS R 152 " (cutoff:3.500A) removed outlier: 3.789A pdb=" N SER R 159 " --> pdb=" O GLY R 155 " (cutoff:3.500A) Processing helix chain 'R' and resid 163 through 179 removed outlier: 3.745A pdb=" N LYS R 167 " --> pdb=" O SER R 163 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ASP R 169 " --> pdb=" O GLY R 165 " (cutoff:3.500A) removed outlier: 3.966A pdb=" N VAL R 170 " --> pdb=" O ALA R 166 " (cutoff:3.500A) Processing helix chain 'R' and resid 185 through 197 removed outlier: 3.760A pdb=" N GLU R 192 " --> pdb=" O LYS R 188 " (cutoff:3.500A) Processing helix chain 'R' and resid 206 through 211 Processing helix chain 'R' and resid 212 through 221 removed outlier: 3.517A pdb=" N HIS R 217 " --> pdb=" O TYR R 213 " (cutoff:3.500A) removed outlier: 3.849A pdb=" N LEU R 219 " --> pdb=" O GLY R 215 " (cutoff:3.500A) removed outlier: 3.891A pdb=" N ALA R 220 " --> pdb=" O ILE R 216 " (cutoff:3.500A) Processing helix chain 'R' and resid 225 through 230 Processing helix chain 'R' and resid 245 through 252 removed outlier: 3.753A pdb=" N TYR R 252 " --> pdb=" O SER R 248 " (cutoff:3.500A) Processing helix chain 'R' and resid 252 through 257 removed outlier: 3.540A pdb=" N THR R 256 " --> pdb=" O TYR R 252 " (cutoff:3.500A) Processing helix chain 'R' and resid 262 through 267 removed outlier: 3.610A pdb=" N LYS R 267 " --> pdb=" O ARG R 263 " (cutoff:3.500A) Processing helix chain 'R' and resid 273 through 283 removed outlier: 3.539A pdb=" N LEU R 277 " --> pdb=" O SER R 273 " (cutoff:3.500A) removed outlier: 3.834A pdb=" N SER R 278 " --> pdb=" O PRO R 274 " (cutoff:3.500A) removed outlier: 4.168A pdb=" N LEU R 279 " --> pdb=" O GLU R 275 " (cutoff:3.500A) removed outlier: 3.680A pdb=" N SER R 281 " --> pdb=" O LEU R 277 " (cutoff:3.500A) Processing helix chain 'R' and resid 290 through 299 Processing helix chain 'R' and resid 300 through 305 Processing helix chain 'R' and resid 305 through 315 removed outlier: 4.004A pdb=" N LEU R 309 " --> pdb=" O PHE R 305 " (cutoff:3.500A) removed outlier: 3.709A pdb=" N GLU R 310 " --> pdb=" O PRO R 306 " (cutoff:3.500A) Processing helix chain 'R' and resid 319 through 324 removed outlier: 3.940A pdb=" N ARG R 324 " --> pdb=" O LYS R 320 " (cutoff:3.500A) Processing helix chain 'R' and resid 326 through 343 removed outlier: 3.958A pdb=" N GLU R 332 " --> pdb=" O PHE R 328 " (cutoff:3.500A) removed outlier: 3.557A pdb=" N MET R 333 " --> pdb=" O PHE R 329 " (cutoff:3.500A) removed outlier: 3.514A pdb=" N LYS R 336 " --> pdb=" O GLU R 332 " (cutoff:3.500A) removed outlier: 3.649A pdb=" N VAL R 337 " --> pdb=" O MET R 333 " (cutoff:3.500A) removed outlier: 3.607A pdb=" N GLU R 343 " --> pdb=" O ALA R 339 " (cutoff:3.500A) Processing helix chain 'R' and resid 350 through 357 Processing helix chain 'R' and resid 361 through 369 removed outlier: 3.681A pdb=" N ASP R 365 " --> pdb=" O VAL R 361 " (cutoff:3.500A) removed outlier: 3.937A pdb=" N ASN R 366 " --> pdb=" O ALA R 362 " (cutoff:3.500A) Processing helix chain 'R' and resid 370 through 375 Proline residue: R 373 - end of helix No H-bonds generated for 'chain 'R' and resid 370 through 375' Processing helix chain 'R' and resid 395 through 421 removed outlier: 3.969A pdb=" N LEU R 402 " --> pdb=" O ALA R 398 " (cutoff:3.500A) removed outlier: 3.803A pdb=" N LEU R 403 " --> pdb=" O GLN R 399 " (cutoff:3.500A) removed outlier: 3.868A pdb=" N LYS R 405 " --> pdb=" O HIS R 401 " (cutoff:3.500A) removed outlier: 3.630A pdb=" N LYS R 413 " --> pdb=" O GLY R 409 " (cutoff:3.500A) removed outlier: 3.533A pdb=" N VAL R 421 " --> pdb=" O TYR R 417 " (cutoff:3.500A) Processing helix chain 'S' and resid 19 through 43 removed outlier: 3.704A pdb=" N LYS S 23 " --> pdb=" O HIS S 19 " (cutoff:3.500A) removed outlier: 3.812A pdb=" N LYS S 24 " --> pdb=" O HIS S 20 " (cutoff:3.500A) removed outlier: 3.626A pdb=" N TYR S 25 " --> pdb=" O SER S 21 " (cutoff:3.500A) removed outlier: 3.807A pdb=" N ALA S 26 " --> pdb=" O GLU S 22 " (cutoff:3.500A) removed outlier: 3.577A pdb=" N ASP S 29 " --> pdb=" O TYR S 25 " (cutoff:3.500A) removed outlier: 3.644A pdb=" N LYS S 36 " --> pdb=" O GLN S 32 " (cutoff:3.500A) removed outlier: 3.852A pdb=" N VAL S 37 " --> pdb=" O GLU S 33 " (cutoff:3.500A) removed outlier: 3.697A pdb=" N ASN S 39 " --> pdb=" O LEU S 35 " (cutoff:3.500A) removed outlier: 3.732A pdb=" N GLU S 40 " --> pdb=" O LYS S 36 " (cutoff:3.500A) removed outlier: 3.666A pdb=" N ILE S 41 " --> pdb=" O VAL S 37 " (cutoff:3.500A) removed outlier: 3.551A pdb=" N SER S 42 " --> pdb=" O LEU S 38 " (cutoff:3.500A) removed outlier: 3.648A pdb=" N LYS S 43 " --> pdb=" O ASN S 39 " (cutoff:3.500A) Processing helix chain 'S' and resid 48 through 67 removed outlier: 3.607A pdb=" N TYR S 52 " --> pdb=" O LEU S 48 " (cutoff:3.500A) removed outlier: 3.974A pdb=" N ILE S 53 " --> pdb=" O ASP S 49 " (cutoff:3.500A) removed outlier: 3.859A pdb=" N SER S 56 " --> pdb=" O TYR S 52 " (cutoff:3.500A) removed outlier: 3.506A pdb=" N LYS S 58 " --> pdb=" O TRP S 54 " (cutoff:3.500A) removed outlier: 4.175A pdb=" N ASP S 59 " --> pdb=" O ARG S 55 " (cutoff:3.500A) removed outlier: 3.593A pdb=" N LEU S 63 " --> pdb=" O ASP S 59 " (cutoff:3.500A) removed outlier: 4.044A pdb=" N GLN S 66 " --> pdb=" O SER S 62 " (cutoff:3.500A) removed outlier: 3.703A pdb=" N GLU S 67 " --> pdb=" O LEU S 63 " (cutoff:3.500A) Processing helix chain 'S' and resid 73 through 80 removed outlier: 3.714A pdb=" N THR S 77 " --> pdb=" O THR S 73 " (cutoff:3.500A) removed outlier: 3.549A pdb=" N VAL S 78 " --> pdb=" O LEU S 74 " (cutoff:3.500A) Processing helix chain 'S' and resid 87 through 95 removed outlier: 3.961A pdb=" N PHE S 95 " --> pdb=" O ASN S 91 " (cutoff:3.500A) Processing helix chain 'S' and resid 114 through 118 removed outlier: 3.739A pdb=" N PHE S 118 " --> pdb=" O PRO S 115 " (cutoff:3.500A) Processing helix chain 'S' and resid 119 through 125 Processing helix chain 'S' and resid 130 through 150 removed outlier: 3.749A pdb=" N CYS S 136 " --> pdb=" O ALA S 132 " (cutoff:3.500A) removed outlier: 4.257A pdb=" N PHE S 137 " --> pdb=" O GLU S 133 " (cutoff:3.500A) removed outlier: 3.962A pdb=" N LEU S 140 " --> pdb=" O CYS S 136 " (cutoff:3.500A) removed outlier: 3.676A pdb=" N LEU S 141 " --> pdb=" O PHE S 137 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N VAL S 142 " --> pdb=" O MET S 138 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N GLN S 143 " --> pdb=" O HIS S 139 " (cutoff:3.500A) removed outlier: 3.540A pdb=" N LEU S 144 " --> pdb=" O LEU S 140 " (cutoff:3.500A) removed outlier: 3.597A pdb=" N PHE S 145 " --> pdb=" O LEU S 141 " (cutoff:3.500A) removed outlier: 3.569A pdb=" N ASP S 148 " --> pdb=" O LEU S 144 " (cutoff:3.500A) Processing helix chain 'S' and resid 153 through 170 removed outlier: 3.763A pdb=" N GLU S 157 " --> pdb=" O GLU S 153 " (cutoff:3.500A) removed outlier: 3.806A pdb=" N ASN S 159 " --> pdb=" O LEU S 155 " (cutoff:3.500A) removed outlier: 3.751A pdb=" N VAL S 162 " --> pdb=" O PHE S 158 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N ILE S 164 " --> pdb=" O ARG S 160 " (cutoff:3.500A) Proline residue: S 165 - end of helix Processing helix chain 'S' and resid 182 through 198 removed outlier: 4.022A pdb=" N TYR S 186 " --> pdb=" O LYS S 182 " (cutoff:3.500A) Processing helix chain 'S' and resid 201 through 225 removed outlier: 3.728A pdb=" N ASN S 205 " --> pdb=" O ILE S 201 " (cutoff:3.500A) removed outlier: 3.596A pdb=" N ILE S 208 " --> pdb=" O ASP S 204 " (cutoff:3.500A) removed outlier: 3.831A pdb=" N ILE S 209 " --> pdb=" O ASN S 205 " (cutoff:3.500A) removed outlier: 3.663A pdb=" N MET S 215 " --> pdb=" O ARG S 211 " (cutoff:3.500A) removed outlier: 3.548A pdb=" N ILE S 220 " --> pdb=" O LYS S 216 " (cutoff:3.500A) removed outlier: 4.039A pdb=" N LEU S 223 " --> pdb=" O LYS S 219 " (cutoff:3.500A) removed outlier: 3.995A pdb=" N LYS S 224 " --> pdb=" O ILE S 220 " (cutoff:3.500A) Processing helix chain 'S' and resid 226 through 245 removed outlier: 3.531A pdb=" N ASN S 235 " --> pdb=" O ALA S 231 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N LEU S 242 " --> pdb=" O LEU S 238 " (cutoff:3.500A) removed outlier: 3.651A pdb=" N ASN S 243 " --> pdb=" O ARG S 239 " (cutoff:3.500A) Processing helix chain 'S' and resid 246 through 255 removed outlier: 3.678A pdb=" N ALA S 250 " --> pdb=" O GLU S 246 " (cutoff:3.500A) Processing helix chain 'S' and resid 265 through 280 removed outlier: 3.618A pdb=" N ARG S 271 " --> pdb=" O SER S 267 " (cutoff:3.500A) removed outlier: 3.540A pdb=" N TYR S 275 " --> pdb=" O ARG S 271 " (cutoff:3.500A) removed outlier: 3.559A pdb=" N LEU S 276 " --> pdb=" O TYR S 272 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N LYS S 278 " --> pdb=" O PHE S 274 " (cutoff:3.500A) Processing helix chain 'S' and resid 286 through 299 removed outlier: 4.090A pdb=" N GLU S 291 " --> pdb=" O SER S 287 " (cutoff:3.500A) removed outlier: 3.544A pdb=" N ILE S 294 " --> pdb=" O ASN S 290 " (cutoff:3.500A) removed outlier: 3.669A pdb=" N ILE S 297 " --> pdb=" O ILE S 293 " (cutoff:3.500A) Processing helix chain 'S' and resid 306 through 323 removed outlier: 3.749A pdb=" N CYS S 319 " --> pdb=" O LYS S 315 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N GLN S 321 " --> pdb=" O HIS S 317 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N LEU S 322 " --> pdb=" O CYS S 318 " (cutoff:3.500A) Processing helix chain 'S' and resid 330 through 336 removed outlier: 4.505A pdb=" N HIS S 334 " --> pdb=" O LEU S 330 " (cutoff:3.500A) removed outlier: 3.634A pdb=" N SER S 336 " --> pdb=" O PHE S 332 " (cutoff:3.500A) Processing helix chain 'S' and resid 338 through 355 removed outlier: 3.684A pdb=" N LEU S 342 " --> pdb=" O MET S 338 " (cutoff:3.500A) Proline residue: S 344 - end of helix removed outlier: 3.597A pdb=" N HIS S 347 " --> pdb=" O LEU S 343 " (cutoff:3.500A) Processing helix chain 'S' and resid 356 through 367 removed outlier: 3.649A pdb=" N PHE S 360 " --> pdb=" O ASP S 356 " (cutoff:3.500A) removed outlier: 3.600A pdb=" N THR S 361 " --> pdb=" O LEU S 357 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N ILE S 364 " --> pdb=" O PHE S 360 " (cutoff:3.500A) removed outlier: 3.656A pdb=" N THR S 365 " --> pdb=" O THR S 361 " (cutoff:3.500A) removed outlier: 3.907A pdb=" N LYS S 366 " --> pdb=" O SER S 362 " (cutoff:3.500A) removed outlier: 4.013A pdb=" N TYR S 367 " --> pdb=" O THR S 363 " (cutoff:3.500A) Processing helix chain 'S' and resid 369 through 373 removed outlier: 3.603A pdb=" N LEU S 372 " --> pdb=" O GLN S 369 " (cutoff:3.500A) removed outlier: 3.571A pdb=" N LYS S 373 " --> pdb=" O LEU S 370 " (cutoff:3.500A) No H-bonds generated for 'chain 'S' and resid 369 through 373' Processing helix chain 'S' and resid 376 through 382 Processing helix chain 'S' and resid 382 through 399 removed outlier: 3.769A pdb=" N ASN S 386 " --> pdb=" O ARG S 382 " (cutoff:3.500A) removed outlier: 4.280A pdb=" N ILE S 388 " --> pdb=" O ARG S 384 " (cutoff:3.500A) removed outlier: 3.693A pdb=" N ARG S 393 " --> pdb=" O LYS S 389 " (cutoff:3.500A) Processing helix chain 'S' and resid 404 through 412 removed outlier: 4.383A pdb=" N CYS S 408 " --> pdb=" O LEU S 404 " (cutoff:3.500A) removed outlier: 3.645A pdb=" N LEU S 409 " --> pdb=" O ARG S 405 " (cutoff:3.500A) removed outlier: 3.995A pdb=" N LYS S 410 " --> pdb=" O ASP S 406 " (cutoff:3.500A) Processing helix chain 'S' and resid 415 through 427 removed outlier: 3.833A pdb=" N VAL S 419 " --> pdb=" O SER S 415 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N TYR S 421 " --> pdb=" O GLN S 417 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N VAL S 423 " --> pdb=" O VAL S 419 " (cutoff:3.500A) removed outlier: 4.142A pdb=" N SER S 424 " --> pdb=" O GLU S 420 " (cutoff:3.500A) removed outlier: 3.884A pdb=" N ARG S 425 " --> pdb=" O TYR S 421 " (cutoff:3.500A) removed outlier: 3.522A pdb=" N ALA S 426 " --> pdb=" O MET S 422 " (cutoff:3.500A) Processing helix chain 'S' and resid 450 through 454 removed outlier: 3.852A pdb=" N ASP S 453 " --> pdb=" O ASN S 450 " (cutoff:3.500A) Processing helix chain 'S' and resid 455 through 481 removed outlier: 3.674A pdb=" N GLN S 459 " --> pdb=" O GLU S 455 " (cutoff:3.500A) removed outlier: 3.842A pdb=" N VAL S 460 " --> pdb=" O ASP S 456 " (cutoff:3.500A) removed outlier: 3.773A pdb=" N GLU S 463 " --> pdb=" O GLN S 459 " (cutoff:3.500A) removed outlier: 3.615A pdb=" N ILE S 465 " --> pdb=" O PHE S 461 " (cutoff:3.500A) removed outlier: 3.707A pdb=" N LEU S 471 " --> pdb=" O PHE S 467 " (cutoff:3.500A) removed outlier: 3.504A pdb=" N ASP S 473 " --> pdb=" O ASN S 469 " (cutoff:3.500A) removed outlier: 3.521A pdb=" N GLU S 474 " --> pdb=" O GLN S 470 " (cutoff:3.500A) removed outlier: 3.571A pdb=" N LEU S 476 " --> pdb=" O HIS S 472 " (cutoff:3.500A) removed outlier: 3.543A pdb=" N VAL S 477 " --> pdb=" O ASP S 473 " (cutoff:3.500A) removed outlier: 3.517A pdb=" N TYR S 481 " --> pdb=" O VAL S 477 " (cutoff:3.500A) Processing helix chain 'S' and resid 483 through 489 removed outlier: 3.897A pdb=" N THR S 487 " --> pdb=" O GLU S 483 " (cutoff:3.500A) removed outlier: 3.943A pdb=" N GLN S 488 " --> pdb=" O ASP S 484 " (cutoff:3.500A) Processing helix chain 'T' and resid 7 through 9 No H-bonds generated for 'chain 'T' and resid 7 through 9' Processing helix chain 'T' and resid 10 through 17 removed outlier: 3.878A pdb=" N GLU T 16 " --> pdb=" O SER T 12 " (cutoff:3.500A) removed outlier: 3.825A pdb=" N ASN T 17 " --> pdb=" O ILE T 13 " (cutoff:3.500A) Processing helix chain 'T' and resid 19 through 26 removed outlier: 3.625A pdb=" N LYS T 25 " --> pdb=" O ALA T 21 " (cutoff:3.500A) Processing helix chain 'T' and resid 26 through 37 removed outlier: 3.523A pdb=" N ILE T 30 " --> pdb=" O LEU T 26 " (cutoff:3.500A) removed outlier: 3.694A pdb=" N GLU T 33 " --> pdb=" O PRO T 29 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N LYS T 36 " --> pdb=" O ILE T 32 " (cutoff:3.500A) Processing helix chain 'T' and resid 55 through 72 removed outlier: 3.635A pdb=" N ILE T 61 " --> pdb=" O ILE T 57 " (cutoff:3.500A) removed outlier: 3.662A pdb=" N LEU T 62 " --> pdb=" O THR T 58 " (cutoff:3.500A) removed outlier: 3.551A pdb=" N SER T 69 " --> pdb=" O GLY T 65 " (cutoff:3.500A) removed outlier: 3.755A pdb=" N ILE T 70 " --> pdb=" O ALA T 66 " (cutoff:3.500A) removed outlier: 3.525A pdb=" N GLN T 71 " --> pdb=" O LEU T 67 " (cutoff:3.500A) Processing helix chain 'T' and resid 74 through 90 removed outlier: 3.625A pdb=" N PHE T 78 " --> pdb=" O ASN T 74 " (cutoff:3.500A) removed outlier: 3.660A pdb=" N ASN T 80 " --> pdb=" O ASP T 76 " (cutoff:3.500A) removed outlier: 3.990A pdb=" N ASN T 83 " --> pdb=" O GLU T 79 " (cutoff:3.500A) Proline residue: T 87 - end of helix removed outlier: 4.161A pdb=" N PHE T 90 " --> pdb=" O LYS T 86 " (cutoff:3.500A) Processing helix chain 'T' and resid 99 through 116 removed outlier: 4.275A pdb=" N SER T 103 " --> pdb=" O SER T 99 " (cutoff:3.500A) removed outlier: 3.841A pdb=" N LYS T 104 " --> pdb=" O ASP T 100 " (cutoff:3.500A) Processing helix chain 'T' and resid 124 through 128 Processing helix chain 'T' and resid 133 through 138 Processing helix chain 'T' and resid 142 through 155 removed outlier: 4.093A pdb=" N ILE T 146 " --> pdb=" O LEU T 142 " (cutoff:3.500A) Processing helix chain 'T' and resid 160 through 165 removed outlier: 3.512A pdb=" N GLN T 165 " --> pdb=" O ASP T 162 " (cutoff:3.500A) Processing helix chain 'T' and resid 177 through 197 removed outlier: 3.790A pdb=" N GLU T 194 " --> pdb=" O ALA T 190 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N LEU T 195 " --> pdb=" O LYS T 191 " (cutoff:3.500A) Processing helix chain 'T' and resid 202 through 210 removed outlier: 3.547A pdb=" N LYS T 206 " --> pdb=" O LEU T 202 " (cutoff:3.500A) removed outlier: 4.155A pdb=" N ALA T 207 " --> pdb=" O SER T 203 " (cutoff:3.500A) removed outlier: 3.810A pdb=" N LEU T 208 " --> pdb=" O ASN T 204 " (cutoff:3.500A) Processing helix chain 'T' and resid 213 through 224 removed outlier: 3.959A pdb=" N THR T 217 " --> pdb=" O ASN T 213 " (cutoff:3.500A) removed outlier: 3.878A pdb=" N PHE T 220 " --> pdb=" O GLU T 216 " (cutoff:3.500A) removed outlier: 3.588A pdb=" N ALA T 221 " --> pdb=" O THR T 217 " (cutoff:3.500A) removed outlier: 3.592A pdb=" N LEU T 222 " --> pdb=" O GLU T 218 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N GLU T 223 " --> pdb=" O LYS T 219 " (cutoff:3.500A) Processing helix chain 'T' and resid 254 through 269 removed outlier: 4.476A pdb=" N ASN T 258 " --> pdb=" O ASP T 254 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N TYR T 266 " --> pdb=" O LYS T 262 " (cutoff:3.500A) removed outlier: 3.571A pdb=" N ALA T 267 " --> pdb=" O ALA T 263 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N ILE T 268 " --> pdb=" O MET T 264 " (cutoff:3.500A) Processing helix chain 'U' and resid 11 through 25 removed outlier: 3.585A pdb=" N HIS U 21 " --> pdb=" O SER U 17 " (cutoff:3.500A) removed outlier: 4.220A pdb=" N TYR U 22 " --> pdb=" O ALA U 18 " (cutoff:3.500A) removed outlier: 4.964A pdb=" N GLU U 23 " --> pdb=" O LEU U 19 " (cutoff:3.500A) Processing helix chain 'U' and resid 70 through 78 removed outlier: 4.223A pdb=" N GLU U 74 " --> pdb=" O HIS U 70 " (cutoff:3.500A) removed outlier: 3.937A pdb=" N ASN U 77 " --> pdb=" O ILE U 73 " (cutoff:3.500A) removed outlier: 3.810A pdb=" N GLU U 78 " --> pdb=" O GLU U 74 " (cutoff:3.500A) Processing helix chain 'U' and resid 79 through 83 Processing helix chain 'U' and resid 102 through 111 removed outlier: 3.584A pdb=" N ASN U 107 " --> pdb=" O ASP U 103 " (cutoff:3.500A) removed outlier: 4.354A pdb=" N GLU U 108 " --> pdb=" O LEU U 104 " (cutoff:3.500A) removed outlier: 4.148A pdb=" N LEU U 109 " --> pdb=" O LYS U 105 " (cutoff:3.500A) removed outlier: 3.618A pdb=" N PHE U 110 " --> pdb=" O ILE U 106 " (cutoff:3.500A) Processing helix chain 'U' and resid 167 through 176 Processing helix chain 'U' and resid 189 through 215 removed outlier: 3.669A pdb=" N LEU U 194 " --> pdb=" O LEU U 190 " (cutoff:3.500A) removed outlier: 3.698A pdb=" N LYS U 198 " --> pdb=" O LEU U 194 " (cutoff:3.500A) removed outlier: 3.646A pdb=" N GLY U 199 " --> pdb=" O LYS U 195 " (cutoff:3.500A) removed outlier: 3.638A pdb=" N LYS U 203 " --> pdb=" O GLY U 199 " (cutoff:3.500A) Processing helix chain 'U' and resid 224 through 234 removed outlier: 4.474A pdb=" N GLN U 230 " --> pdb=" O LEU U 226 " (cutoff:3.500A) removed outlier: 4.878A pdb=" N ASP U 231 " --> pdb=" O GLY U 227 " (cutoff:3.500A) removed outlier: 4.424A pdb=" N VAL U 232 " --> pdb=" O LYS U 228 " (cutoff:3.500A) removed outlier: 4.084A pdb=" N PHE U 233 " --> pdb=" O LEU U 229 " (cutoff:3.500A) Processing helix chain 'U' and resid 259 through 264 removed outlier: 3.682A pdb=" N ALA U 264 " --> pdb=" O LEU U 261 " (cutoff:3.500A) Processing helix chain 'U' and resid 265 through 307 removed outlier: 4.164A pdb=" N ASP U 271 " --> pdb=" O VAL U 267 " (cutoff:3.500A) removed outlier: 4.409A pdb=" N GLU U 272 " --> pdb=" O LYS U 268 " (cutoff:3.500A) removed outlier: 3.599A pdb=" N LEU U 273 " --> pdb=" O THR U 269 " (cutoff:3.500A) removed outlier: 3.535A pdb=" N MET U 274 " --> pdb=" O ASN U 270 " (cutoff:3.500A) removed outlier: 4.198A pdb=" N VAL U 275 " --> pdb=" O ASP U 271 " (cutoff:3.500A) removed outlier: 3.672A pdb=" N ILE U 276 " --> pdb=" O GLU U 272 " (cutoff:3.500A) removed outlier: 3.638A pdb=" N TYR U 277 " --> pdb=" O LEU U 273 " (cutoff:3.500A) removed outlier: 3.594A pdb=" N ILE U 286 " --> pdb=" O VAL U 282 " (cutoff:3.500A) removed outlier: 3.507A pdb=" N LEU U 291 " --> pdb=" O ALA U 287 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N GLU U 293 " --> pdb=" O ASP U 289 " (cutoff:3.500A) removed outlier: 4.008A pdb=" N ASN U 294 " --> pdb=" O ASP U 290 " (cutoff:3.500A) removed outlier: 3.694A pdb=" N LYS U 307 " --> pdb=" O GLU U 303 " (cutoff:3.500A) Processing helix chain 'V' and resid 30 through 41 removed outlier: 3.535A pdb=" N LEU V 34 " --> pdb=" O SER V 30 " (cutoff:3.500A) removed outlier: 3.846A pdb=" N LEU V 35 " --> pdb=" O SER V 31 " (cutoff:3.500A) Processing helix chain 'V' and resid 79 through 83 removed outlier: 3.992A pdb=" N VAL V 83 " --> pdb=" O VAL V 80 " (cutoff:3.500A) Processing helix chain 'V' and resid 84 through 96 removed outlier: 3.501A pdb=" N MET V 94 " --> pdb=" O LYS V 90 " (cutoff:3.500A) removed outlier: 3.509A pdb=" N LYS V 96 " --> pdb=" O MET V 92 " (cutoff:3.500A) Processing helix chain 'V' and resid 97 through 99 No H-bonds generated for 'chain 'V' and resid 97 through 99' Processing helix chain 'V' and resid 119 through 129 removed outlier: 3.530A pdb=" N SER V 128 " --> pdb=" O ASN V 124 " (cutoff:3.500A) removed outlier: 3.848A pdb=" N PHE V 129 " --> pdb=" O THR V 125 " (cutoff:3.500A) Processing helix chain 'V' and resid 144 through 149 removed outlier: 3.803A pdb=" N VAL V 147 " --> pdb=" O ILE V 144 " (cutoff:3.500A) removed outlier: 4.210A pdb=" N LYS V 148 " --> pdb=" O GLN V 145 " (cutoff:3.500A) Processing helix chain 'V' and resid 183 through 188 removed outlier: 3.539A pdb=" N ALA V 187 " --> pdb=" O ALA V 183 " (cutoff:3.500A) removed outlier: 4.166A pdb=" N LEU V 188 " --> pdb=" O ASN V 184 " (cutoff:3.500A) No H-bonds generated for 'chain 'V' and resid 183 through 188' Processing helix chain 'V' and resid 212 through 217 removed outlier: 3.944A pdb=" N ASN V 215 " --> pdb=" O MET V 212 " (cutoff:3.500A) removed outlier: 4.055A pdb=" N LEU V 216 " --> pdb=" O LEU V 213 " (cutoff:3.500A) removed outlier: 3.844A pdb=" N HIS V 217 " --> pdb=" O MET V 214 " (cutoff:3.500A) No H-bonds generated for 'chain 'V' and resid 212 through 217' Processing helix chain 'V' and resid 231 through 246 removed outlier: 3.975A pdb=" N GLU V 235 " --> pdb=" O GLU V 231 " (cutoff:3.500A) removed outlier: 3.522A pdb=" N ALA V 240 " --> pdb=" O SER V 236 " (cutoff:3.500A) removed outlier: 3.617A pdb=" N LYS V 242 " --> pdb=" O LEU V 238 " (cutoff:3.500A) removed outlier: 3.839A pdb=" N VAL V 245 " --> pdb=" O THR V 241 " (cutoff:3.500A) Processing helix chain 'V' and resid 246 through 267 removed outlier: 3.536A pdb=" N TYR V 251 " --> pdb=" O ILE V 247 " (cutoff:3.500A) Processing helix chain 'V' and resid 277 through 296 removed outlier: 3.579A pdb=" N THR V 283 " --> pdb=" O HIS V 279 " (cutoff:3.500A) removed outlier: 3.892A pdb=" N VAL V 293 " --> pdb=" O GLU V 289 " (cutoff:3.500A) removed outlier: 4.058A pdb=" N SER V 294 " --> pdb=" O ASN V 290 " (cutoff:3.500A) Processing helix chain 'W' and resid 13 through 18 Processing helix chain 'W' and resid 24 through 42 removed outlier: 3.576A pdb=" N ILE W 30 " --> pdb=" O PHE W 26 " (cutoff:3.500A) Processing helix chain 'W' and resid 69 through 77 removed outlier: 3.555A pdb=" N ALA W 74 " --> pdb=" O GLY W 70 " (cutoff:3.500A) removed outlier: 3.629A pdb=" N GLY W 75 " --> pdb=" O LYS W 71 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N LEU W 76 " --> pdb=" O ILE W 72 " (cutoff:3.500A) removed outlier: 3.922A pdb=" N HIS W 77 " --> pdb=" O LEU W 73 " (cutoff:3.500A) Processing helix chain 'W' and resid 87 through 98 removed outlier: 3.671A pdb=" N GLN W 92 " --> pdb=" O ALA W 88 " (cutoff:3.500A) removed outlier: 3.537A pdb=" N ILE W 93 " --> pdb=" O THR W 89 " (cutoff:3.500A) removed outlier: 3.521A pdb=" N GLN W 95 " --> pdb=" O LEU W 91 " (cutoff:3.500A) removed outlier: 4.095A pdb=" N LEU W 96 " --> pdb=" O GLN W 92 " (cutoff:3.500A) Processing helix chain 'W' and resid 99 through 101 No H-bonds generated for 'chain 'W' and resid 99 through 101' Processing helix chain 'W' and resid 122 through 135 removed outlier: 3.692A pdb=" N ILE W 126 " --> pdb=" O ARG W 122 " (cutoff:3.500A) removed outlier: 4.054A pdb=" N ARG W 127 " --> pdb=" O ASP W 123 " (cutoff:3.500A) removed outlier: 3.529A pdb=" N LYS W 130 " --> pdb=" O ILE W 126 " (cutoff:3.500A) removed outlier: 3.531A pdb=" N THR W 131 " --> pdb=" O ARG W 127 " (cutoff:3.500A) removed outlier: 3.783A pdb=" N LYS W 134 " --> pdb=" O LYS W 130 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N ASN W 135 " --> pdb=" O THR W 131 " (cutoff:3.500A) Processing helix chain 'W' and resid 145 through 150 removed outlier: 4.334A pdb=" N GLN W 149 " --> pdb=" O GLY W 145 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N ASN W 150 " --> pdb=" O GLU W 146 " (cutoff:3.500A) No H-bonds generated for 'chain 'W' and resid 145 through 150' Processing helix chain 'W' and resid 154 through 161 removed outlier: 3.509A pdb=" N VAL W 161 " --> pdb=" O PHE W 157 " (cutoff:3.500A) Processing helix chain 'W' and resid 180 through 188 removed outlier: 4.204A pdb=" N ILE W 185 " --> pdb=" O LEU W 181 " (cutoff:3.500A) removed outlier: 3.632A pdb=" N SER W 187 " --> pdb=" O GLU W 183 " (cutoff:3.500A) removed outlier: 3.919A pdb=" N SER W 188 " --> pdb=" O ASN W 184 " (cutoff:3.500A) Processing helix chain 'Y' and resid 74 through 79 removed outlier: 4.264A pdb=" N LYS Y 78 " --> pdb=" O THR Y 74 " (cutoff:3.500A) Processing helix chain 'Y' and resid 79 through 85 removed outlier: 4.081A pdb=" N ARG Y 83 " --> pdb=" O ALA Y 79 " (cutoff:3.500A) Processing helix chain 'Z' and resid 62 through 75 removed outlier: 3.700A pdb=" N LEU Z 68 " --> pdb=" O TYR Z 64 " (cutoff:3.500A) removed outlier: 3.783A pdb=" N ASN Z 69 " --> pdb=" O GLU Z 65 " (cutoff:3.500A) Processing helix chain 'Z' and resid 87 through 93 removed outlier: 3.616A pdb=" N ARG Z 93 " --> pdb=" O LYS Z 90 " (cutoff:3.500A) Processing helix chain 'Z' and resid 96 through 98 No H-bonds generated for 'chain 'Z' and resid 96 through 98' Processing helix chain 'Z' and resid 99 through 104 removed outlier: 3.603A pdb=" N TYR Z 103 " --> pdb=" O LEU Z 99 " (cutoff:3.500A) Processing helix chain 'Z' and resid 108 through 121 removed outlier: 4.079A pdb=" N ASP Z 117 " --> pdb=" O SER Z 113 " (cutoff:3.500A) removed outlier: 3.672A pdb=" N VAL Z 118 " --> pdb=" O SER Z 114 " (cutoff:3.500A) Processing helix chain 'Z' and resid 121 through 127 Processing helix chain 'Z' and resid 133 through 139 removed outlier: 4.025A pdb=" N TYR Z 137 " --> pdb=" O ASP Z 133 " (cutoff:3.500A) Processing helix chain 'Z' and resid 152 through 174 removed outlier: 4.068A pdb=" N LEU Z 157 " --> pdb=" O TYR Z 153 " (cutoff:3.500A) removed outlier: 3.942A pdb=" N GLU Z 160 " --> pdb=" O HIS Z 156 " (cutoff:3.500A) removed outlier: 4.270A pdb=" N ILE Z 161 " --> pdb=" O LEU Z 157 " (cutoff:3.500A) removed outlier: 4.335A pdb=" N GLY Z 162 " --> pdb=" O ALA Z 158 " (cutoff:3.500A) removed outlier: 3.522A pdb=" N GLU Z 174 " --> pdb=" O GLU Z 170 " (cutoff:3.500A) Processing helix chain 'Z' and resid 189 through 193 Processing helix chain 'Z' and resid 197 through 208 removed outlier: 3.623A pdb=" N ASP Z 206 " --> pdb=" O ARG Z 202 " (cutoff:3.500A) removed outlier: 3.624A pdb=" N ILE Z 207 " --> pdb=" O LEU Z 203 " (cutoff:3.500A) removed outlier: 4.237A pdb=" N VAL Z 208 " --> pdb=" O CYS Z 204 " (cutoff:3.500A) Processing helix chain 'Z' and resid 209 through 214 removed outlier: 4.445A pdb=" N LYS Z 213 " --> pdb=" O PRO Z 209 " (cutoff:3.500A) removed outlier: 3.764A pdb=" N HIS Z 214 " --> pdb=" O TYR Z 210 " (cutoff:3.500A) No H-bonds generated for 'chain 'Z' and resid 209 through 214' Processing helix chain 'Z' and resid 216 through 228 removed outlier: 4.562A pdb=" N ASP Z 222 " --> pdb=" O GLU Z 218 " (cutoff:3.500A) removed outlier: 3.635A pdb=" N LEU Z 223 " --> pdb=" O ASP Z 219 " (cutoff:3.500A) removed outlier: 3.759A pdb=" N LEU Z 225 " --> pdb=" O VAL Z 221 " (cutoff:3.500A) removed outlier: 3.923A pdb=" N GLU Z 226 " --> pdb=" O ASP Z 222 " (cutoff:3.500A) removed outlier: 3.667A pdb=" N ILE Z 227 " --> pdb=" O LEU Z 223 " (cutoff:3.500A) Processing helix chain 'Z' and resid 232 through 236 removed outlier: 4.164A pdb=" N PHE Z 236 " --> pdb=" O LEU Z 233 " (cutoff:3.500A) Processing helix chain 'Z' and resid 242 through 252 removed outlier: 3.852A pdb=" N CYS Z 246 " --> pdb=" O PHE Z 242 " (cutoff:3.500A) removed outlier: 4.980A pdb=" N TYR Z 248 " --> pdb=" O ARG Z 244 " (cutoff:3.500A) removed outlier: 4.393A pdb=" N MET Z 249 " --> pdb=" O VAL Z 245 " (cutoff:3.500A) removed outlier: 4.226A pdb=" N ALA Z 251 " --> pdb=" O GLN Z 247 " (cutoff:3.500A) removed outlier: 3.758A pdb=" N CYS Z 252 " --> pdb=" O TYR Z 248 " (cutoff:3.500A) Processing helix chain 'Z' and resid 262 through 268 Processing helix chain 'Z' and resid 270 through 276 removed outlier: 4.286A pdb=" N SER Z 274 " --> pdb=" O SER Z 270 " (cutoff:3.500A) removed outlier: 4.076A pdb=" N GLN Z 275 " --> pdb=" O ILE Z 271 " (cutoff:3.500A) Processing helix chain 'Z' and resid 278 through 286 removed outlier: 3.970A pdb=" N ILE Z 282 " --> pdb=" O LEU Z 278 " (cutoff:3.500A) removed outlier: 4.242A pdb=" N ALA Z 283 " --> pdb=" O THR Z 279 " (cutoff:3.500A) Processing helix chain 'Z' and resid 294 through 298 removed outlier: 3.889A pdb=" N VAL Z 297 " --> pdb=" O ILE Z 294 " (cutoff:3.500A) removed outlier: 3.800A pdb=" N PHE Z 298 " --> pdb=" O ARG Z 295 " (cutoff:3.500A) No H-bonds generated for 'chain 'Z' and resid 294 through 298' Processing helix chain 'Z' and resid 303 through 317 removed outlier: 4.263A pdb=" N ALA Z 311 " --> pdb=" O HIS Z 307 " (cutoff:3.500A) removed outlier: 4.060A pdb=" N TYR Z 312 " --> pdb=" O LYS Z 308 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N ALA Z 315 " --> pdb=" O ALA Z 311 " (cutoff:3.500A) removed outlier: 3.777A pdb=" N ALA Z 316 " --> pdb=" O TYR Z 312 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N GLN Z 317 " --> pdb=" O ILE Z 313 " (cutoff:3.500A) Processing helix chain 'Z' and resid 318 through 323 removed outlier: 3.952A pdb=" N GLU Z 322 " --> pdb=" O LYS Z 318 " (cutoff:3.500A) Processing helix chain 'Z' and resid 327 through 333 Processing helix chain 'Z' and resid 344 through 350 Processing helix chain 'Z' and resid 352 through 357 removed outlier: 3.543A pdb=" N ASP Z 356 " --> pdb=" O LYS Z 352 " (cutoff:3.500A) Processing helix chain 'Z' and resid 358 through 365 removed outlier: 3.945A pdb=" N LEU Z 362 " --> pdb=" O TYR Z 358 " (cutoff:3.500A) Processing helix chain 'Z' and resid 377 through 389 removed outlier: 4.255A pdb=" N PHE Z 385 " --> pdb=" O LEU Z 381 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N VAL Z 386 " --> pdb=" O ALA Z 382 " (cutoff:3.500A) Processing helix chain 'Z' and resid 390 through 392 No H-bonds generated for 'chain 'Z' and resid 390 through 392' Processing helix chain 'Z' and resid 413 through 420 removed outlier: 3.602A pdb=" N SER Z 417 " --> pdb=" O ASP Z 413 " (cutoff:3.500A) Processing helix chain 'Z' and resid 421 through 424 removed outlier: 3.978A pdb=" N SER Z 424 " --> pdb=" O SER Z 421 " (cutoff:3.500A) No H-bonds generated for 'chain 'Z' and resid 421 through 424' Processing helix chain 'Z' and resid 430 through 434 removed outlier: 4.307A pdb=" N LEU Z 433 " --> pdb=" O LEU Z 430 " (cutoff:3.500A) removed outlier: 3.550A pdb=" N GLN Z 434 " --> pdb=" O ASP Z 431 " (cutoff:3.500A) No H-bonds generated for 'chain 'Z' and resid 430 through 434' Processing helix chain 'Z' and resid 435 through 439 removed outlier: 3.524A pdb=" N TYR Z 439 " --> pdb=" O LEU Z 436 " (cutoff:3.500A) Processing helix chain 'Z' and resid 444 through 459 removed outlier: 3.558A pdb=" N LYS Z 448 " --> pdb=" O GLU Z 444 " (cutoff:3.500A) removed outlier: 3.996A pdb=" N GLY Z 456 " --> pdb=" O LEU Z 452 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N ILE Z 457 " --> pdb=" O LEU Z 453 " (cutoff:3.500A) Processing helix chain 'Z' and resid 462 through 466 removed outlier: 3.805A pdb=" N GLU Z 466 " --> pdb=" O HIS Z 463 " (cutoff:3.500A) Processing helix chain 'Z' and resid 469 through 476 removed outlier: 3.922A pdb=" N LEU Z 473 " --> pdb=" O PRO Z 469 " (cutoff:3.500A) removed outlier: 3.643A pdb=" N LEU Z 474 " --> pdb=" O ALA Z 470 " (cutoff:3.500A) removed outlier: 3.961A pdb=" N ASP Z 476 " --> pdb=" O LEU Z 472 " (cutoff:3.500A) Processing helix chain 'Z' and resid 482 through 494 removed outlier: 4.532A pdb=" N ALA Z 488 " --> pdb=" O LYS Z 484 " (cutoff:3.500A) removed outlier: 3.885A pdb=" N ALA Z 489 " --> pdb=" O ILE Z 485 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N LEU Z 491 " --> pdb=" O SER Z 487 " (cutoff:3.500A) removed outlier: 3.654A pdb=" N GLY Z 494 " --> pdb=" O ILE Z 490 " (cutoff:3.500A) Processing helix chain 'Z' and resid 502 through 507 removed outlier: 4.036A pdb=" N VAL Z 505 " --> pdb=" O ASN Z 502 " (cutoff:3.500A) removed outlier: 3.849A pdb=" N LEU Z 506 " --> pdb=" O ASP Z 503 " (cutoff:3.500A) removed outlier: 3.659A pdb=" N GLY Z 507 " --> pdb=" O GLU Z 504 " (cutoff:3.500A) No H-bonds generated for 'chain 'Z' and resid 502 through 507' Processing helix chain 'Z' and resid 508 through 514 removed outlier: 3.814A pdb=" N ILE Z 512 " --> pdb=" O LEU Z 508 " (cutoff:3.500A) removed outlier: 3.622A pdb=" N ALA Z 514 " --> pdb=" O LEU Z 510 " (cutoff:3.500A) Processing helix chain 'Z' and resid 525 through 534 removed outlier: 3.875A pdb=" N ALA Z 529 " --> pdb=" O MET Z 525 " (cutoff:3.500A) removed outlier: 3.939A pdb=" N ALA Z 531 " --> pdb=" O SER Z 527 " (cutoff:3.500A) removed outlier: 3.975A pdb=" N HIS Z 532 " --> pdb=" O LEU Z 528 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N VAL Z 533 " --> pdb=" O ALA Z 529 " (cutoff:3.500A) Processing helix chain 'Z' and resid 539 through 553 removed outlier: 4.347A pdb=" N ASN Z 549 " --> pdb=" O SER Z 545 " (cutoff:3.500A) removed outlier: 4.170A pdb=" N PHE Z 550 " --> pdb=" O ILE Z 546 " (cutoff:3.500A) removed outlier: 3.579A pdb=" N ARG Z 553 " --> pdb=" O ASN Z 549 " (cutoff:3.500A) Processing helix chain 'Z' and resid 555 through 559 removed outlier: 3.742A pdb=" N LEU Z 558 " --> pdb=" O ALA Z 555 " (cutoff:3.500A) removed outlier: 4.227A pdb=" N LYS Z 559 " --> pdb=" O ILE Z 556 " (cutoff:3.500A) No H-bonds generated for 'chain 'Z' and resid 555 through 559' Processing helix chain 'Z' and resid 562 through 574 removed outlier: 3.677A pdb=" N ALA Z 569 " --> pdb=" O PHE Z 565 " (cutoff:3.500A) Processing helix chain 'Z' and resid 578 through 580 No H-bonds generated for 'chain 'Z' and resid 578 through 580' Processing helix chain 'Z' and resid 581 through 589 removed outlier: 4.323A pdb=" N THR Z 587 " --> pdb=" O ASP Z 583 " (cutoff:3.500A) Processing helix chain 'Z' and resid 593 through 595 No H-bonds generated for 'chain 'Z' and resid 593 through 595' Processing helix chain 'Z' and resid 596 through 608 removed outlier: 3.632A pdb=" N GLU Z 600 " --> pdb=" O THR Z 596 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N VAL Z 601 " --> pdb=" O SER Z 597 " (cutoff:3.500A) removed outlier: 3.525A pdb=" N LEU Z 602 " --> pdb=" O ALA Z 598 " (cutoff:3.500A) Processing helix chain 'Z' and resid 613 through 624 removed outlier: 3.854A pdb=" N LEU Z 624 " --> pdb=" O LEU Z 620 " (cutoff:3.500A) Processing helix chain 'Z' and resid 740 through 748 removed outlier: 3.941A pdb=" N ALA Z 744 " --> pdb=" O VAL Z 740 " (cutoff:3.500A) removed outlier: 3.526A pdb=" N LEU Z 745 " --> pdb=" O LEU Z 741 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N LEU Z 748 " --> pdb=" O ALA Z 744 " (cutoff:3.500A) Processing helix chain 'Z' and resid 750 through 762 removed outlier: 3.826A pdb=" N GLU Z 755 " --> pdb=" O ASP Z 751 " (cutoff:3.500A) removed outlier: 4.296A pdb=" N LEU Z 758 " --> pdb=" O LYS Z 754 " (cutoff:3.500A) removed outlier: 4.728A pdb=" N ARG Z 759 " --> pdb=" O GLU Z 755 " (cutoff:3.500A) removed outlier: 3.865A pdb=" N HIS Z 760 " --> pdb=" O MET Z 756 " (cutoff:3.500A) removed outlier: 3.740A pdb=" N GLY Z 762 " --> pdb=" O LEU Z 758 " (cutoff:3.500A) Processing helix chain 'Z' and resid 763 through 766 Processing helix chain 'Z' and resid 769 through 774 removed outlier: 4.373A pdb=" N ARG Z 773 " --> pdb=" O ASN Z 769 " (cutoff:3.500A) removed outlier: 3.571A pdb=" N ARG Z 774 " --> pdb=" O GLU Z 770 " (cutoff:3.500A) No H-bonds generated for 'chain 'Z' and resid 769 through 774' Processing helix chain 'Z' and resid 775 through 781 removed outlier: 3.515A pdb=" N GLY Z 781 " --> pdb=" O PRO Z 777 " (cutoff:3.500A) Processing helix chain 'Z' and resid 789 through 801 removed outlier: 3.585A pdb=" N PHE Z 793 " --> pdb=" O GLN Z 789 " (cutoff:3.500A) removed outlier: 3.603A pdb=" N THR Z 797 " --> pdb=" O PHE Z 793 " (cutoff:3.500A) removed outlier: 4.516A pdb=" N ARG Z 798 " --> pdb=" O ASP Z 794 " (cutoff:3.500A) removed outlier: 3.960A pdb=" N PHE Z 799 " --> pdb=" O THR Z 795 " (cutoff:3.500A) removed outlier: 3.922A pdb=" N HIS Z 801 " --> pdb=" O THR Z 797 " (cutoff:3.500A) Processing helix chain 'Z' and resid 804 through 819 removed outlier: 3.714A pdb=" N SER Z 808 " --> pdb=" O ASP Z 804 " (cutoff:3.500A) removed outlier: 3.576A pdb=" N ILE Z 812 " --> pdb=" O SER Z 808 " (cutoff:3.500A) removed outlier: 3.887A pdb=" N PHE Z 813 " --> pdb=" O MET Z 809 " (cutoff:3.500A) removed outlier: 3.558A pdb=" N ALA Z 814 " --> pdb=" O ASN Z 810 " (cutoff:3.500A) removed outlier: 3.693A pdb=" N GLY Z 816 " --> pdb=" O ILE Z 812 " (cutoff:3.500A) removed outlier: 3.738A pdb=" N LEU Z 817 " --> pdb=" O PHE Z 813 " (cutoff:3.500A) Processing helix chain 'Z' and resid 826 through 832 removed outlier: 4.326A pdb=" N LEU Z 830 " --> pdb=" O ARG Z 826 " (cutoff:3.500A) removed outlier: 3.849A pdb=" N ARG Z 832 " --> pdb=" O ALA Z 828 " (cutoff:3.500A) Processing helix chain 'Z' and resid 833 through 838 removed outlier: 4.315A pdb=" N SER Z 836 " --> pdb=" O GLN Z 833 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N TYR Z 838 " --> pdb=" O ALA Z 835 " (cutoff:3.500A) Processing helix chain 'Z' and resid 843 through 856 removed outlier: 3.615A pdb=" N ARG Z 849 " --> pdb=" O LEU Z 845 " (cutoff:3.500A) removed outlier: 3.888A pdb=" N ALA Z 851 " --> pdb=" O ILE Z 847 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N GLN Z 852 " --> pdb=" O THR Z 848 " (cutoff:3.500A) Processing helix chain 'Z' and resid 874 through 879 removed outlier: 3.765A pdb=" N LEU Z 878 " --> pdb=" O ASN Z 874 " (cutoff:3.500A) Processing helix chain 'Z' and resid 880 through 886 removed outlier: 4.551A pdb=" N VAL Z 886 " --> pdb=" O LEU Z 882 " (cutoff:3.500A) Processing helix chain 'Z' and resid 899 through 908 removed outlier: 3.862A pdb=" N TYR Z 902 " --> pdb=" O GLN Z 899 " (cutoff:3.500A) removed outlier: 3.994A pdb=" N MET Z 903 " --> pdb=" O LEU Z 900 " (cutoff:3.500A) removed outlier: 3.848A pdb=" N LEU Z 904 " --> pdb=" O PHE Z 901 " (cutoff:3.500A) removed outlier: 3.623A pdb=" N ASN Z 905 " --> pdb=" O TYR Z 902 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N ALA Z 906 " --> pdb=" O MET Z 903 " (cutoff:3.500A) removed outlier: 3.637A pdb=" N GLY Z 907 " --> pdb=" O LEU Z 904 " (cutoff:3.500A) removed outlier: 4.019A pdb=" N ILE Z 908 " --> pdb=" O ASN Z 905 " (cutoff:3.500A) No H-bonds generated for 'chain 'Z' and resid 899 through 908' Processing sheet with id=AA1, first strand: chain '1' and resid 143 through 146 removed outlier: 3.680A pdb=" N ALA 1 144 " --> pdb=" O ALA 1 24 " (cutoff:3.500A) removed outlier: 3.573A pdb=" N ALA 1 24 " --> pdb=" O ALA 1 144 " (cutoff:3.500A) removed outlier: 3.502A pdb=" N VAL 1 195 " --> pdb=" O LEU 1 33 " (cutoff:3.500A) Processing sheet with id=AA2, first strand: chain '1' and resid 39 through 41 removed outlier: 6.789A pdb=" N THR 1 39 " --> pdb=" O ALA 1 46 " (cutoff:3.500A) removed outlier: 3.717A pdb=" N TYR 1 44 " --> pdb=" O THR 1 41 " (cutoff:3.500A) Processing sheet with id=AA3, first strand: chain '1' and resid 54 through 57 removed outlier: 3.640A pdb=" N VAL 1 56 " --> pdb=" O ILE 1 60 " (cutoff:3.500A) removed outlier: 6.673A pdb=" N ILE 1 60 " --> pdb=" O VAL 1 56 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N GLU 1 128 " --> pdb=" O GLY 1 120 " (cutoff:3.500A) removed outlier: 4.019A pdb=" N VAL 1 129 " --> pdb=" O LEU 1 141 " (cutoff:3.500A) removed outlier: 3.622A pdb=" N THR 1 131 " --> pdb=" O HIS 1 139 " (cutoff:3.500A) removed outlier: 3.688A pdb=" N HIS 1 139 " --> pdb=" O THR 1 131 " (cutoff:3.500A) Processing sheet with id=AA4, first strand: chain '2' and resid 156 through 157 removed outlier: 3.535A pdb=" N ILE 2 32 " --> pdb=" O LEU 2 156 " (cutoff:3.500A) removed outlier: 6.718A pdb=" N THR 2 31 " --> pdb=" O ASP 2 46 " (cutoff:3.500A) removed outlier: 3.839A pdb=" N ASP 2 46 " --> pdb=" O THR 2 31 " (cutoff:3.500A) removed outlier: 3.713A pdb=" N VAL 2 41 " --> pdb=" O MET 2 207 " (cutoff:3.500A) removed outlier: 6.169A pdb=" N VAL 2 202 " --> pdb=" O ASN 2 218 " (cutoff:3.500A) removed outlier: 3.568A pdb=" N ASN 2 218 " --> pdb=" O VAL 2 202 " (cutoff:3.500A) Processing sheet with id=AA5, first strand: chain '2' and resid 63 through 67 removed outlier: 6.800A pdb=" N ILE 2 70 " --> pdb=" O ILE 2 66 " (cutoff:3.500A) removed outlier: 3.676A pdb=" N TYR 2 126 " --> pdb=" O ALA 2 75 " (cutoff:3.500A) removed outlier: 3.673A pdb=" N GLY 2 131 " --> pdb=" O HIS 2 138 " (cutoff:3.500A) Processing sheet with id=AA6, first strand: chain '2' and resid 241 through 247 removed outlier: 3.781A pdb=" N LYS 2 243 " --> pdb=" O TYR 3 199 " (cutoff:3.500A) removed outlier: 4.383A pdb=" N VAL 3 195 " --> pdb=" O VAL 2 247 " (cutoff:3.500A) removed outlier: 3.796A pdb=" N ALA 3 185 " --> pdb=" O LEU 3 200 " (cutoff:3.500A) Processing sheet with id=AA7, first strand: chain '3' and resid 29 through 31 removed outlier: 7.002A pdb=" N LEU 3 29 " --> pdb=" O VAL 3 36 " (cutoff:3.500A) Processing sheet with id=AA8, first strand: chain '3' and resid 43 through 45 removed outlier: 3.668A pdb=" N PHE 3 44 " --> pdb=" O LEU 3 51 " (cutoff:3.500A) removed outlier: 4.096A pdb=" N LEU 3 51 " --> pdb=" O PHE 3 44 " (cutoff:3.500A) Processing sheet with id=AA9, first strand: chain '4' and resid 130 through 133 removed outlier: 3.523A pdb=" N HIS 4 133 " --> pdb=" O ILE 4 4 " (cutoff:3.500A) removed outlier: 4.540A pdb=" N ILE 4 4 " --> pdb=" O HIS 4 133 " (cutoff:3.500A) removed outlier: 3.832A pdb=" N VAL 4 181 " --> pdb=" O VAL 4 192 " (cutoff:3.500A) Processing sheet with id=AB1, first strand: chain '4' and resid 36 through 39 removed outlier: 6.617A pdb=" N THR 4 42 " --> pdb=" O LEU 4 38 " (cutoff:3.500A) removed outlier: 3.798A pdb=" N ILE 4 119 " --> pdb=" O VAL 4 102 " (cutoff:3.500A) Processing sheet with id=AB2, first strand: chain '5' and resid 202 through 205 removed outlier: 3.511A pdb=" N PHE 5 81 " --> pdb=" O ILE 5 88 " (cutoff:3.500A) removed outlier: 3.519A pdb=" N ILE 5 88 " --> pdb=" O PHE 5 81 " (cutoff:3.500A) removed outlier: 3.804A pdb=" N ILE 5 87 " --> pdb=" O VAL 5 255 " (cutoff:3.500A) removed outlier: 3.668A pdb=" N VAL 5 91 " --> pdb=" O ASN 5 251 " (cutoff:3.500A) removed outlier: 4.251A pdb=" N LEU 5 252 " --> pdb=" O GLY 5 264 " (cutoff:3.500A) removed outlier: 4.451A pdb=" N GLY 5 264 " --> pdb=" O LEU 5 252 " (cutoff:3.500A) removed outlier: 6.984A pdb=" N HIS 5 254 " --> pdb=" O TYR 5 262 " (cutoff:3.500A) removed outlier: 5.842A pdb=" N TYR 5 262 " --> pdb=" O HIS 5 254 " (cutoff:3.500A) Processing sheet with id=AB3, first strand: chain '5' and resid 95 through 97 removed outlier: 6.958A pdb=" N ALA 5 95 " --> pdb=" O ALA 5 102 " (cutoff:3.500A) removed outlier: 3.633A pdb=" N ALA 5 97 " --> pdb=" O TRP 5 100 " (cutoff:3.500A) removed outlier: 3.621A pdb=" N TRP 5 100 " --> pdb=" O ALA 5 97 " (cutoff:3.500A) Processing sheet with id=AB4, first strand: chain '5' and resid 121 through 122 removed outlier: 4.063A pdb=" N ILE 5 187 " --> pdb=" O GLY 5 199 " (cutoff:3.500A) removed outlier: 3.611A pdb=" N GLY 5 199 " --> pdb=" O ILE 5 187 " (cutoff:3.500A) Processing sheet with id=AB5, first strand: chain '6' and resid 155 through 158 removed outlier: 3.715A pdb=" N ARG 6 156 " --> pdb=" O GLY 6 33 " (cutoff:3.500A) removed outlier: 3.971A pdb=" N ILE 6 31 " --> pdb=" O GLY 6 158 " (cutoff:3.500A) Processing sheet with id=AB6, first strand: chain '6' and resid 48 through 50 removed outlier: 7.524A pdb=" N ASN 6 48 " --> pdb=" O ASN 6 55 " (cutoff:3.500A) Processing sheet with id=AB7, first strand: chain '6' and resid 62 through 64 removed outlier: 3.609A pdb=" N MET 6 71 " --> pdb=" O PHE 6 63 " (cutoff:3.500A) removed outlier: 3.693A pdb=" N SER 6 72 " --> pdb=" O ILE 6 129 " (cutoff:3.500A) removed outlier: 3.847A pdb=" N ILE 6 129 " --> pdb=" O SER 6 72 " (cutoff:3.500A) removed outlier: 3.665A pdb=" N TYR 6 142 " --> pdb=" O ILE 6 130 " (cutoff:3.500A) removed outlier: 3.676A pdb=" N VAL 6 141 " --> pdb=" O GLU 6 153 " (cutoff:3.500A) removed outlier: 3.961A pdb=" N SER 6 143 " --> pdb=" O GLU 6 151 " (cutoff:3.500A) removed outlier: 3.900A pdb=" N GLU 6 151 " --> pdb=" O SER 6 143 " (cutoff:3.500A) Processing sheet with id=AB8, first strand: chain '7' and resid 39 through 40 Processing sheet with id=AB9, first strand: chain '7' and resid 174 through 175 removed outlier: 3.949A pdb=" N SER 7 46 " --> pdb=" O LEU 7 175 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N VAL 7 53 " --> pdb=" O ILE 7 233 " (cutoff:3.500A) Processing sheet with id=AC1, first strand: chain '7' and resid 174 through 175 removed outlier: 3.949A pdb=" N SER 7 46 " --> pdb=" O LEU 7 175 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N VAL 7 53 " --> pdb=" O ILE 7 233 " (cutoff:3.500A) Processing sheet with id=AC2, first strand: chain '7' and resid 75 through 77 removed outlier: 3.554A pdb=" N ILE 7 76 " --> pdb=" O VAL 7 84 " (cutoff:3.500A) Processing sheet with id=AC3, first strand: chain 'b' and resid 143 through 146 Processing sheet with id=AC4, first strand: chain 'b' and resid 39 through 41 removed outlier: 6.419A pdb=" N THR b 41 " --> pdb=" O ILE b 45 " (cutoff:3.500A) removed outlier: 5.889A pdb=" N ILE b 45 " --> pdb=" O THR b 41 " (cutoff:3.500A) Processing sheet with id=AC5, first strand: chain 'b' and resid 54 through 57 removed outlier: 3.957A pdb=" N VAL b 56 " --> pdb=" O ILE b 60 " (cutoff:3.500A) removed outlier: 6.724A pdb=" N ILE b 60 " --> pdb=" O VAL b 56 " (cutoff:3.500A) removed outlier: 3.766A pdb=" N HIS b 139 " --> pdb=" O THR b 131 " (cutoff:3.500A) Processing sheet with id=AC6, first strand: chain 'b' and resid 65 through 66 Processing sheet with id=AC7, first strand: chain 'i' and resid 156 through 157 removed outlier: 3.687A pdb=" N ILE i 32 " --> pdb=" O LEU i 156 " (cutoff:3.500A) removed outlier: 6.835A pdb=" N THR i 31 " --> pdb=" O ASP i 46 " (cutoff:3.500A) removed outlier: 3.875A pdb=" N ASP i 46 " --> pdb=" O THR i 31 " (cutoff:3.500A) removed outlier: 6.062A pdb=" N VAL i 202 " --> pdb=" O ASN i 218 " (cutoff:3.500A) removed outlier: 3.759A pdb=" N ASN i 218 " --> pdb=" O VAL i 202 " (cutoff:3.500A) Processing sheet with id=AC8, first strand: chain 'i' and resid 49 through 51 removed outlier: 6.124A pdb=" N GLN i 51 " --> pdb=" O VAL i 55 " (cutoff:3.500A) removed outlier: 5.020A pdb=" N VAL i 55 " --> pdb=" O GLN i 51 " (cutoff:3.500A) Processing sheet with id=AC9, first strand: chain 'i' and resid 65 through 67 removed outlier: 5.783A pdb=" N ARG i 65 " --> pdb=" O CYS i 72 " (cutoff:3.500A) removed outlier: 6.736A pdb=" N CYS i 72 " --> pdb=" O ARG i 65 " (cutoff:3.500A) removed outlier: 3.520A pdb=" N SER i 67 " --> pdb=" O ILE i 70 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ALA i 130 " --> pdb=" O TRP i 71 " (cutoff:3.500A) removed outlier: 3.737A pdb=" N TYR i 126 " --> pdb=" O ALA i 75 " (cutoff:3.500A) removed outlier: 3.695A pdb=" N GLY i 131 " --> pdb=" O HIS i 138 " (cutoff:3.500A) removed outlier: 3.938A pdb=" N HIS i 138 " --> pdb=" O GLY i 131 " (cutoff:3.500A) Processing sheet with id=AD1, first strand: chain 'i' and resid 244 through 247 removed outlier: 4.130A pdb=" N VAL h 195 " --> pdb=" O VAL i 247 " (cutoff:3.500A) removed outlier: 3.965A pdb=" N ALA h 185 " --> pdb=" O LEU h 200 " (cutoff:3.500A) removed outlier: 3.522A pdb=" N CYS h 25 " --> pdb=" O VAL h 186 " (cutoff:3.500A) removed outlier: 3.536A pdb=" N ASP h 26 " --> pdb=" O ILE h 11 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N ILE h 11 " --> pdb=" O ASP h 26 " (cutoff:3.500A) Processing sheet with id=AD2, first strand: chain 'h' and resid 29 through 31 removed outlier: 6.975A pdb=" N LEU h 29 " --> pdb=" O VAL h 36 " (cutoff:3.500A) Processing sheet with id=AD3, first strand: chain 'h' and resid 43 through 46 Processing sheet with id=AD4, first strand: chain 'g' and resid 130 through 133 removed outlier: 3.574A pdb=" N GLY g 131 " --> pdb=" O GLY g 6 " (cutoff:3.500A) removed outlier: 3.521A pdb=" N HIS g 133 " --> pdb=" O ILE g 4 " (cutoff:3.500A) removed outlier: 4.606A pdb=" N ILE g 4 " --> pdb=" O HIS g 133 " (cutoff:3.500A) Processing sheet with id=AD5, first strand: chain 'g' and resid 36 through 39 removed outlier: 3.600A pdb=" N LEU g 38 " --> pdb=" O THR g 42 " (cutoff:3.500A) removed outlier: 6.872A pdb=" N THR g 42 " --> pdb=" O LEU g 38 " (cutoff:3.500A) removed outlier: 3.625A pdb=" N SER g 45 " --> pdb=" O LEU g 103 " (cutoff:3.500A) removed outlier: 3.655A pdb=" N LEU g 103 " --> pdb=" O SER g 45 " (cutoff:3.500A) Processing sheet with id=AD6, first strand: chain 'f' and resid 202 through 205 removed outlier: 6.505A pdb=" N THR f 77 " --> pdb=" O ASP f 92 " (cutoff:3.500A) removed outlier: 3.538A pdb=" N ASP f 92 " --> pdb=" O THR f 77 " (cutoff:3.500A) removed outlier: 3.626A pdb=" N PHE f 81 " --> pdb=" O ILE f 88 " (cutoff:3.500A) removed outlier: 4.010A pdb=" N ILE f 88 " --> pdb=" O PHE f 81 " (cutoff:3.500A) removed outlier: 3.765A pdb=" N ILE f 87 " --> pdb=" O VAL f 255 " (cutoff:3.500A) removed outlier: 3.533A pdb=" N VAL f 89 " --> pdb=" O TYR f 253 " (cutoff:3.500A) removed outlier: 4.018A pdb=" N VAL f 91 " --> pdb=" O ASN f 251 " (cutoff:3.500A) removed outlier: 4.111A pdb=" N LEU f 252 " --> pdb=" O GLY f 264 " (cutoff:3.500A) removed outlier: 4.441A pdb=" N GLY f 264 " --> pdb=" O LEU f 252 " (cutoff:3.500A) removed outlier: 6.941A pdb=" N HIS f 254 " --> pdb=" O TYR f 262 " (cutoff:3.500A) removed outlier: 5.738A pdb=" N TYR f 262 " --> pdb=" O HIS f 254 " (cutoff:3.500A) Processing sheet with id=AD7, first strand: chain 'f' and resid 95 through 97 removed outlier: 7.587A pdb=" N ALA f 95 " --> pdb=" O ALA f 102 " (cutoff:3.500A) removed outlier: 3.568A pdb=" N ALA f 102 " --> pdb=" O ALA f 95 " (cutoff:3.500A) Processing sheet with id=AD8, first strand: chain 'f' and resid 173 through 179 removed outlier: 4.257A pdb=" N ILE f 187 " --> pdb=" O GLY f 199 " (cutoff:3.500A) removed outlier: 3.767A pdb=" N GLY f 199 " --> pdb=" O ILE f 187 " (cutoff:3.500A) Processing sheet with id=AD9, first strand: chain 'e' and resid 155 through 158 removed outlier: 3.525A pdb=" N GLY e 33 " --> pdb=" O ARG e 156 " (cutoff:3.500A) removed outlier: 4.044A pdb=" N ILE e 31 " --> pdb=" O GLY e 158 " (cutoff:3.500A) Processing sheet with id=AE1, first strand: chain 'e' and resid 48 through 50 removed outlier: 7.286A pdb=" N ASN e 48 " --> pdb=" O ASN e 55 " (cutoff:3.500A) Processing sheet with id=AE2, first strand: chain 'e' and resid 62 through 64 removed outlier: 3.695A pdb=" N VAL e 70 " --> pdb=" O ALA e 131 " (cutoff:3.500A) removed outlier: 3.533A pdb=" N SER e 72 " --> pdb=" O ILE e 129 " (cutoff:3.500A) removed outlier: 3.633A pdb=" N TYR e 142 " --> pdb=" O ILE e 130 " (cutoff:3.500A) removed outlier: 4.106A pdb=" N VAL e 141 " --> pdb=" O GLU e 153 " (cutoff:3.500A) Processing sheet with id=AE3, first strand: chain 'a' and resid 39 through 40 Processing sheet with id=AE4, first strand: chain 'a' and resid 174 through 175 removed outlier: 3.516A pdb=" N GLY a 52 " --> pdb=" O TYR a 49 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N PHE a 228 " --> pdb=" O ASN a 244 " (cutoff:3.500A) removed outlier: 4.201A pdb=" N ASN a 244 " --> pdb=" O PHE a 228 " (cutoff:3.500A) removed outlier: 4.172A pdb=" N LEU a 230 " --> pdb=" O LYS a 242 " (cutoff:3.500A) Processing sheet with id=AE5, first strand: chain 'a' and resid 75 through 77 removed outlier: 3.593A pdb=" N TYR a 162 " --> pdb=" O TYR a 170 " (cutoff:3.500A) removed outlier: 3.656A pdb=" N TYR a 170 " --> pdb=" O TYR a 162 " (cutoff:3.500A) Processing sheet with id=AE6, first strand: chain 'A' and resid 169 through 171 removed outlier: 3.513A pdb=" N SER A 42 " --> pdb=" O THR A 171 " (cutoff:3.500A) removed outlier: 3.559A pdb=" N VAL A 52 " --> pdb=" O VAL A 45 " (cutoff:3.500A) removed outlier: 3.655A pdb=" N LYS A 232 " --> pdb=" O THR A 229 " (cutoff:3.500A) Processing sheet with id=AE7, first strand: chain 'A' and resid 72 through 76 removed outlier: 6.003A pdb=" N ILE A 72 " --> pdb=" O VAL A 83 " (cutoff:3.500A) removed outlier: 7.424A pdb=" N VAL A 83 " --> pdb=" O ILE A 72 " (cutoff:3.500A) removed outlier: 5.077A pdb=" N CYS A 74 " --> pdb=" O MET A 81 " (cutoff:3.500A) removed outlier: 6.706A pdb=" N MET A 81 " --> pdb=" O CYS A 74 " (cutoff:3.500A) removed outlier: 3.577A pdb=" N ASN A 84 " --> pdb=" O ILE A 140 " (cutoff:3.500A) removed outlier: 3.766A pdb=" N SER A 145 " --> pdb=" O SER A 153 " (cutoff:3.500A) removed outlier: 3.589A pdb=" N SER A 153 " --> pdb=" O SER A 145 " (cutoff:3.500A) removed outlier: 4.331A pdb=" N ILE A 154 " --> pdb=" O TYR A 166 " (cutoff:3.500A) removed outlier: 3.675A pdb=" N LYS A 156 " --> pdb=" O VAL A 164 " (cutoff:3.500A) removed outlier: 3.941A pdb=" N VAL A 164 " --> pdb=" O LYS A 156 " (cutoff:3.500A) Processing sheet with id=AE8, first strand: chain 'B' and resid 161 through 164 removed outlier: 3.551A pdb=" N VAL B 43 " --> pdb=" O ILE B 214 " (cutoff:3.500A) Processing sheet with id=AE9, first strand: chain 'B' and resid 64 through 68 removed outlier: 5.808A pdb=" N LEU B 66 " --> pdb=" O ALA B 73 " (cutoff:3.500A) removed outlier: 7.250A pdb=" N ALA B 73 " --> pdb=" O LEU B 66 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N THR B 68 " --> pdb=" O ILE B 71 " (cutoff:3.500A) removed outlier: 3.530A pdb=" N ALA B 137 " --> pdb=" O GLY B 72 " (cutoff:3.500A) removed outlier: 3.614A pdb=" N VAL B 74 " --> pdb=" O LEU B 135 " (cutoff:3.500A) Processing sheet with id=AF1, first strand: chain 'C' and resid 162 through 165 removed outlier: 3.643A pdb=" N ILE C 44 " --> pdb=" O ILE C 216 " (cutoff:3.500A) removed outlier: 3.583A pdb=" N ALA C 214 " --> pdb=" O LEU C 46 " (cutoff:3.500A) removed outlier: 3.635A pdb=" N LYS C 228 " --> pdb=" O THR C 215 " (cutoff:3.500A) Processing sheet with id=AF2, first strand: chain 'C' and resid 66 through 67 removed outlier: 4.001A pdb=" N THR C 150 " --> pdb=" O THR C 158 " (cutoff:3.500A) removed outlier: 4.030A pdb=" N THR C 158 " --> pdb=" O THR C 150 " (cutoff:3.500A) Processing sheet with id=AF3, first strand: chain 'D' and resid -79 through -76 Processing sheet with id=AF4, first strand: chain 'D' and resid -176 through -172 removed outlier: 6.870A pdb=" N VAL D-169 " --> pdb=" O ILE D-173 " (cutoff:3.500A) Processing sheet with id=AF5, first strand: chain 'E' and resid 169 through 172 removed outlier: 3.587A pdb=" N GLN E 218 " --> pdb=" O VAL E 50 " (cutoff:3.500A) Processing sheet with id=AF6, first strand: chain 'E' and resid 67 through 69 removed outlier: 3.813A pdb=" N CYS E 76 " --> pdb=" O VAL E 68 " (cutoff:3.500A) removed outlier: 3.716A pdb=" N ALA E 141 " --> pdb=" O SER E 79 " (cutoff:3.500A) removed outlier: 3.941A pdb=" N TYR E 165 " --> pdb=" O HIS E 157 " (cutoff:3.500A) Processing sheet with id=AF7, first strand: chain 'F' and resid 35 through 39 removed outlier: 3.587A pdb=" N VAL F 47 " --> pdb=" O VAL F 36 " (cutoff:3.500A) removed outlier: 3.509A pdb=" N ILE F 213 " --> pdb=" O TYR F 225 " (cutoff:3.500A) removed outlier: 3.550A pdb=" N ILE F 215 " --> pdb=" O THR F 223 " (cutoff:3.500A) Processing sheet with id=AF8, first strand: chain 'F' and resid 63 through 67 removed outlier: 3.870A pdb=" N CYS F 66 " --> pdb=" O MET F 70 " (cutoff:3.500A) removed outlier: 7.019A pdb=" N MET F 70 " --> pdb=" O CYS F 66 " (cutoff:3.500A) removed outlier: 3.927A pdb=" N LEU F 132 " --> pdb=" O PHE F 147 " (cutoff:3.500A) removed outlier: 3.624A pdb=" N GLY F 136 " --> pdb=" O HIS F 143 " (cutoff:3.500A) removed outlier: 3.633A pdb=" N GLU F 146 " --> pdb=" O THR F 154 " (cutoff:3.500A) removed outlier: 4.159A pdb=" N THR F 154 " --> pdb=" O GLU F 146 " (cutoff:3.500A) Processing sheet with id=AF9, first strand: chain 'G' and resid 37 through 41 removed outlier: 3.561A pdb=" N TRP G 218 " --> pdb=" O LYS G 229 " (cutoff:3.500A) removed outlier: 3.875A pdb=" N LYS G 229 " --> pdb=" O TRP G 218 " (cutoff:3.500A) Processing sheet with id=AG1, first strand: chain 'G' and resid 74 through 79 removed outlier: 3.647A pdb=" N GLY G 140 " --> pdb=" O HIS G 147 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N HIS G 147 " --> pdb=" O GLY G 140 " (cutoff:3.500A) Processing sheet with id=AG2, first strand: chain 'c' and resid 168 through 171 removed outlier: 3.647A pdb=" N ALA c 44 " --> pdb=" O THR c 169 " (cutoff:3.500A) removed outlier: 3.696A pdb=" N SER c 42 " --> pdb=" O THR c 171 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N VAL c 52 " --> pdb=" O VAL c 45 " (cutoff:3.500A) removed outlier: 3.538A pdb=" N VAL c 227 " --> pdb=" O PHE c 234 " (cutoff:3.500A) removed outlier: 3.685A pdb=" N LYS c 232 " --> pdb=" O THR c 229 " (cutoff:3.500A) Processing sheet with id=AG3, first strand: chain 'c' and resid 72 through 74 removed outlier: 3.709A pdb=" N LYS c 156 " --> pdb=" O VAL c 164 " (cutoff:3.500A) removed outlier: 3.754A pdb=" N VAL c 164 " --> pdb=" O LYS c 156 " (cutoff:3.500A) Processing sheet with id=AG4, first strand: chain 'j' and resid 161 through 164 removed outlier: 3.802A pdb=" N THR j 162 " --> pdb=" O GLY j 36 " (cutoff:3.500A) removed outlier: 3.591A pdb=" N ALA j 46 " --> pdb=" O LEU j 35 " (cutoff:3.500A) removed outlier: 3.866A pdb=" N VAL j 43 " --> pdb=" O ILE j 214 " (cutoff:3.500A) Processing sheet with id=AG5, first strand: chain 'j' and resid 64 through 66 Processing sheet with id=AG6, first strand: chain 'd' and resid 162 through 165 Processing sheet with id=AG7, first strand: chain 'd' and resid 66 through 68 Processing sheet with id=AG8, first strand: chain 'n' and resid 162 through 165 removed outlier: 4.757A pdb=" N CYS n 32 " --> pdb=" O GLU n 47 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N VAL n 43 " --> pdb=" O VAL n 36 " (cutoff:3.500A) Processing sheet with id=AG9, first strand: chain 'n' and resid 64 through 68 removed outlier: 3.531A pdb=" N ILE n 67 " --> pdb=" O VAL n 71 " (cutoff:3.500A) removed outlier: 6.957A pdb=" N VAL n 71 " --> pdb=" O ILE n 67 " (cutoff:3.500A) removed outlier: 3.570A pdb=" N ALA n 136 " --> pdb=" O VAL n 72 " (cutoff:3.500A) Processing sheet with id=AH1, first strand: chain 'm' and resid 169 through 172 removed outlier: 3.631A pdb=" N LEU m 48 " --> pdb=" O SER m 220 " (cutoff:3.500A) removed outlier: 3.614A pdb=" N GLN m 218 " --> pdb=" O VAL m 50 " (cutoff:3.500A) Processing sheet with id=AH2, first strand: chain 'm' and resid 67 through 69 Processing sheet with id=AH3, first strand: chain 'l' and resid 35 through 39 removed outlier: 3.633A pdb=" N ILE l 213 " --> pdb=" O TYR l 225 " (cutoff:3.500A) Processing sheet with id=AH4, first strand: chain 'l' and resid 70 through 71 removed outlier: 3.675A pdb=" N GLY l 71 " --> pdb=" O ILE l 135 " (cutoff:3.500A) Processing sheet with id=AH5, first strand: chain 'l' and resid 70 through 71 removed outlier: 3.675A pdb=" N GLY l 71 " --> pdb=" O ILE l 135 " (cutoff:3.500A) removed outlier: 3.515A pdb=" N ASP l 138 " --> pdb=" O GLY l 141 " (cutoff:3.500A) removed outlier: 3.875A pdb=" N THR l 154 " --> pdb=" O GLU l 146 " (cutoff:3.500A) Processing sheet with id=AH6, first strand: chain 'k' and resid 162 through 164 removed outlier: 3.964A pdb=" N ASP k 211 " --> pdb=" O ILE k 54 " (cutoff:3.500A) removed outlier: 3.833A pdb=" N LYS k 229 " --> pdb=" O TRP k 218 " (cutoff:3.500A) Processing sheet with id=AH7, first strand: chain 'k' and resid 67 through 70 Processing sheet with id=AH8, first strand: chain 'I' and resid 158 through 159 removed outlier: 3.542A pdb=" N GLY I 158 " --> pdb=" O LEU I 148 " (cutoff:3.500A) removed outlier: 3.873A pdb=" N GLY I 107 " --> pdb=" O VAL I 147 " (cutoff:3.500A) removed outlier: 6.772A pdb=" N ILE I 119 " --> pdb=" O GLU I 110 " (cutoff:3.500A) removed outlier: 4.599A pdb=" N ILE I 112 " --> pdb=" O HIS I 117 " (cutoff:3.500A) removed outlier: 6.636A pdb=" N HIS I 117 " --> pdb=" O ILE I 112 " (cutoff:3.500A) removed outlier: 3.800A pdb=" N TYR I 128 " --> pdb=" O VAL I 120 " (cutoff:3.500A) removed outlier: 3.688A pdb=" N TYR I 129 " --> pdb=" O LEU H 97 " (cutoff:3.500A) removed outlier: 4.316A pdb=" N LEU H 97 " --> pdb=" O TYR I 129 " (cutoff:3.500A) removed outlier: 3.663A pdb=" N ARG H 101 " --> pdb=" O ASN H 148 " (cutoff:3.500A) removed outlier: 6.498A pdb=" N VAL H 146 " --> pdb=" O THR H 103 " (cutoff:3.500A) removed outlier: 4.958A pdb=" N LYS H 154 " --> pdb=" O VAL M 79 " (cutoff:3.500A) removed outlier: 3.637A pdb=" N TYR M 77 " --> pdb=" O VAL H 156 " (cutoff:3.500A) removed outlier: 6.604A pdb=" N VAL M 118 " --> pdb=" O VAL M 83 " (cutoff:3.500A) removed outlier: 3.557A pdb=" N VAL M 119 " --> pdb=" O VAL M 127 " (cutoff:3.500A) removed outlier: 3.897A pdb=" N GLN M 125 " --> pdb=" O THR M 121 " (cutoff:3.500A) removed outlier: 5.443A pdb=" N THR M 126 " --> pdb=" O ILE L 105 " (cutoff:3.500A) removed outlier: 3.768A pdb=" N GLU L 107 " --> pdb=" O LYS L 120 " (cutoff:3.500A) removed outlier: 6.917A pdb=" N ILE L 118 " --> pdb=" O MET L 109 " (cutoff:3.500A) removed outlier: 5.752A pdb=" N GLU L 111 " --> pdb=" O LYS L 116 " (cutoff:3.500A) removed outlier: 8.184A pdb=" N LYS L 116 " --> pdb=" O GLU L 111 " (cutoff:3.500A) removed outlier: 3.541A pdb=" N TYR L 127 " --> pdb=" O VAL L 119 " (cutoff:3.500A) removed outlier: 5.931A pdb=" N ARG L 126 " --> pdb=" O ILE K 96 " (cutoff:3.500A) removed outlier: 4.055A pdb=" N LEU K 94 " --> pdb=" O ILE L 128 " (cutoff:3.500A) removed outlier: 7.296A pdb=" N ILE K 109 " --> pdb=" O LEU K 100 " (cutoff:3.500A) removed outlier: 8.440A pdb=" N THR K 107 " --> pdb=" O PRO K 102 " (cutoff:3.500A) Processing sheet with id=AH9, first strand: chain 'H' and resid 183 through 186 removed outlier: 7.417A pdb=" N GLY H 175 " --> pdb=" O GLU H 184 " (cutoff:3.500A) removed outlier: 7.829A pdb=" N ARG H 173 " --> pdb=" O PRO H 186 " (cutoff:3.500A) removed outlier: 3.663A pdb=" N ARG H 101 " --> pdb=" O ASN H 148 " (cutoff:3.500A) removed outlier: 6.498A pdb=" N VAL H 146 " --> pdb=" O THR H 103 " (cutoff:3.500A) removed outlier: 4.958A pdb=" N LYS H 154 " --> pdb=" O VAL M 79 " (cutoff:3.500A) removed outlier: 3.637A pdb=" N TYR M 77 " --> pdb=" O VAL H 156 " (cutoff:3.500A) Processing sheet with id=AI1, first strand: chain 'L' and resid 145 through 147 removed outlier: 3.768A pdb=" N GLU L 107 " --> pdb=" O LYS L 120 " (cutoff:3.500A) removed outlier: 6.917A pdb=" N ILE L 118 " --> pdb=" O MET L 109 " (cutoff:3.500A) removed outlier: 5.752A pdb=" N GLU L 111 " --> pdb=" O LYS L 116 " (cutoff:3.500A) removed outlier: 8.184A pdb=" N LYS L 116 " --> pdb=" O GLU L 111 " (cutoff:3.500A) removed outlier: 3.541A pdb=" N TYR L 127 " --> pdb=" O VAL L 119 " (cutoff:3.500A) removed outlier: 5.931A pdb=" N ARG L 126 " --> pdb=" O ILE K 96 " (cutoff:3.500A) removed outlier: 4.055A pdb=" N LEU K 94 " --> pdb=" O ILE L 128 " (cutoff:3.500A) removed outlier: 7.832A pdb=" N SER K 136 " --> pdb=" O ILE K 149 " (cutoff:3.500A) removed outlier: 5.698A pdb=" N ILE K 149 " --> pdb=" O SER K 136 " (cutoff:3.500A) removed outlier: 6.559A pdb=" N ALA K 138 " --> pdb=" O VAL K 147 " (cutoff:3.500A) Processing sheet with id=AI2, first strand: chain 'H' and resid 200 through 201 removed outlier: 3.504A pdb=" N GLU H 201 " --> pdb=" O PHE H 271 " (cutoff:3.500A) removed outlier: 4.677A pdb=" N PHE H 271 " --> pdb=" O GLU H 201 " (cutoff:3.500A) removed outlier: 3.671A pdb=" N ILE H 306 " --> pdb=" O LYS H 350 " (cutoff:3.500A) removed outlier: 4.087A pdb=" N PHE H 353 " --> pdb=" O ILE H 246 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N LEU H 248 " --> pdb=" O PHE H 353 " (cutoff:3.500A) removed outlier: 7.083A pdb=" N GLY H 245 " --> pdb=" O ARG H 373 " (cutoff:3.500A) removed outlier: 8.626A pdb=" N VAL H 375 " --> pdb=" O GLY H 245 " (cutoff:3.500A) removed outlier: 5.832A pdb=" N LEU H 247 " --> pdb=" O VAL H 375 " (cutoff:3.500A) Processing sheet with id=AI3, first strand: chain 'I' and resid 245 through 248 removed outlier: 3.846A pdb=" N VAL I 219 " --> pdb=" O VAL I 324 " (cutoff:3.500A) removed outlier: 3.550A pdb=" N MET I 326 " --> pdb=" O VAL I 219 " (cutoff:3.500A) removed outlier: 6.259A pdb=" N ILE I 220 " --> pdb=" O ILE I 348 " (cutoff:3.500A) Processing sheet with id=AI4, first strand: chain 'J' and resid 93 through 97 removed outlier: 7.278A pdb=" N LYS J 83 " --> pdb=" O ILE J 78 " (cutoff:3.500A) removed outlier: 5.061A pdb=" N ILE J 78 " --> pdb=" O LYS J 83 " (cutoff:3.500A) removed outlier: 6.905A pdb=" N LEU J 85 " --> pdb=" O ILE J 76 " (cutoff:3.500A) removed outlier: 3.504A pdb=" N LEU J 115 " --> pdb=" O TYR J 71 " (cutoff:3.500A) removed outlier: 3.589A pdb=" N GLY J 73 " --> pdb=" O VAL J 113 " (cutoff:3.500A) removed outlier: 3.853A pdb=" N GLN J 111 " --> pdb=" O VAL J 75 " (cutoff:3.500A) removed outlier: 6.892A pdb=" N ARG J 112 " --> pdb=" O LEU J 126 " (cutoff:3.500A) removed outlier: 4.541A pdb=" N LYS J 124 " --> pdb=" O CYS J 114 " (cutoff:3.500A) removed outlier: 6.056A pdb=" N ARG J 116 " --> pdb=" O LEU J 122 " (cutoff:3.500A) removed outlier: 6.904A pdb=" N LEU J 122 " --> pdb=" O ARG J 116 " (cutoff:3.500A) Processing sheet with id=AI5, first strand: chain 'J' and resid 140 through 141 removed outlier: 7.848A pdb=" N PHE J 246 " --> pdb=" O LYS J 209 " (cutoff:3.500A) removed outlier: 6.619A pdb=" N ILE J 211 " --> pdb=" O PHE J 246 " (cutoff:3.500A) removed outlier: 6.185A pdb=" N ILE J 245 " --> pdb=" O ILE J 291 " (cutoff:3.500A) removed outlier: 8.055A pdb=" N ALA J 293 " --> pdb=" O ILE J 245 " (cutoff:3.500A) removed outlier: 3.754A pdb=" N LEU J 187 " --> pdb=" O MET J 292 " (cutoff:3.500A) removed outlier: 7.226A pdb=" N GLY J 184 " --> pdb=" O ARG J 312 " (cutoff:3.500A) removed outlier: 8.566A pdb=" N ILE J 314 " --> pdb=" O GLY J 184 " (cutoff:3.500A) removed outlier: 6.716A pdb=" N ILE J 186 " --> pdb=" O ILE J 314 " (cutoff:3.500A) Processing sheet with id=AI6, first strand: chain 'K' and resid 208 through 211 removed outlier: 6.370A pdb=" N VAL K 209 " --> pdb=" O MET K 316 " (cutoff:3.500A) removed outlier: 6.880A pdb=" N SER K 267 " --> pdb=" O LYS K 313 " (cutoff:3.500A) removed outlier: 8.066A pdb=" N ILE K 315 " --> pdb=" O SER K 267 " (cutoff:3.500A) removed outlier: 6.186A pdb=" N ILE K 269 " --> pdb=" O ILE K 315 " (cutoff:3.500A) removed outlier: 7.778A pdb=" N ALA K 317 " --> pdb=" O ILE K 269 " (cutoff:3.500A) removed outlier: 6.923A pdb=" N ILE K 271 " --> pdb=" O ALA K 317 " (cutoff:3.500A) removed outlier: 7.048A pdb=" N ALA K 233 " --> pdb=" O ILE K 268 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N PHE K 270 " --> pdb=" O ALA K 233 " (cutoff:3.500A) removed outlier: 6.260A pdb=" N ILE K 235 " --> pdb=" O PHE K 270 " (cutoff:3.500A) removed outlier: 7.423A pdb=" N ASP K 272 " --> pdb=" O ILE K 235 " (cutoff:3.500A) removed outlier: 6.941A pdb=" N VAL K 237 " --> pdb=" O ASP K 272 " (cutoff:3.500A) No H-bonds generated for sheet with id=AI6 Processing sheet with id=AI7, first strand: chain 'L' and resid 242 through 246 removed outlier: 6.877A pdb=" N ASN L 242 " --> pdb=" O ILE L 277 " (cutoff:3.500A) removed outlier: 7.601A pdb=" N PHE L 279 " --> pdb=" O ASN L 242 " (cutoff:3.500A) removed outlier: 6.167A pdb=" N ILE L 244 " --> pdb=" O PHE L 279 " (cutoff:3.500A) removed outlier: 7.218A pdb=" N CYS L 276 " --> pdb=" O LYS L 322 " (cutoff:3.500A) removed outlier: 8.226A pdb=" N ILE L 324 " --> pdb=" O CYS L 276 " (cutoff:3.500A) removed outlier: 6.385A pdb=" N ILE L 278 " --> pdb=" O ILE L 324 " (cutoff:3.500A) removed outlier: 7.701A pdb=" N ALA L 326 " --> pdb=" O ILE L 278 " (cutoff:3.500A) removed outlier: 6.769A pdb=" N MET L 280 " --> pdb=" O ALA L 326 " (cutoff:3.500A) removed outlier: 6.031A pdb=" N VAL L 218 " --> pdb=" O MET L 325 " (cutoff:3.500A) removed outlier: 6.635A pdb=" N GLY L 217 " --> pdb=" O ARG L 345 " (cutoff:3.500A) removed outlier: 7.623A pdb=" N VAL L 347 " --> pdb=" O GLY L 217 " (cutoff:3.500A) removed outlier: 6.233A pdb=" N LEU L 219 " --> pdb=" O VAL L 347 " (cutoff:3.500A) No H-bonds generated for sheet with id=AI7 Processing sheet with id=AI8, first strand: chain 'M' and resid 242 through 247 removed outlier: 7.099A pdb=" N THR M 242 " --> pdb=" O ILE M 277 " (cutoff:3.500A) removed outlier: 8.020A pdb=" N PHE M 279 " --> pdb=" O THR M 242 " (cutoff:3.500A) removed outlier: 6.835A pdb=" N LEU M 244 " --> pdb=" O PHE M 279 " (cutoff:3.500A) removed outlier: 8.037A pdb=" N ASP M 281 " --> pdb=" O LEU M 244 " (cutoff:3.500A) removed outlier: 7.765A pdb=" N LEU M 246 " --> pdb=" O ASP M 281 " (cutoff:3.500A) removed outlier: 6.966A pdb=" N THR M 276 " --> pdb=" O LYS M 322 " (cutoff:3.500A) removed outlier: 8.044A pdb=" N LEU M 324 " --> pdb=" O THR M 276 " (cutoff:3.500A) removed outlier: 6.311A pdb=" N ILE M 278 " --> pdb=" O LEU M 324 " (cutoff:3.500A) removed outlier: 7.212A pdb=" N ALA M 326 " --> pdb=" O ILE M 278 " (cutoff:3.500A) removed outlier: 5.882A pdb=" N ILE M 280 " --> pdb=" O ALA M 326 " (cutoff:3.500A) removed outlier: 3.868A pdb=" N ALA M 218 " --> pdb=" O VAL M 323 " (cutoff:3.500A) removed outlier: 3.840A pdb=" N ALA M 325 " --> pdb=" O ALA M 218 " (cutoff:3.500A) removed outlier: 3.744A pdb=" N ARG M 345 " --> pdb=" O GLY M 217 " (cutoff:3.500A) removed outlier: 3.944A pdb=" N ILE M 347 " --> pdb=" O LEU M 219 " (cutoff:3.500A) Processing sheet with id=AI9, first strand: chain 'N' and resid 713 through 715 Processing sheet with id=AJ1, first strand: chain 'N' and resid 760 through 762 removed outlier: 6.430A pdb=" N ILE N 761 " --> pdb=" O LEU N 905 " (cutoff:3.500A) No H-bonds generated for sheet with id=AJ1 Processing sheet with id=AJ2, first strand: chain 'N' and resid 866 through 868 removed outlier: 3.810A pdb=" N VAL N 868 " --> pdb=" O MET N 773 " (cutoff:3.500A) Processing sheet with id=AJ3, first strand: chain 'O' and resid 341 through 342 removed outlier: 3.519A pdb=" N LEU O 347 " --> pdb=" O ASP O 342 " (cutoff:3.500A) Processing sheet with id=AJ4, first strand: chain 'P' and resid 359 through 361 Processing sheet with id=AJ5, first strand: chain 'Q' and resid 389 through 391 removed outlier: 4.286A pdb=" N VAL Q 389 " --> pdb=" O TYR Q 398 " (cutoff:3.500A) Processing sheet with id=AJ6, first strand: chain 'R' and resid 348 through 349 removed outlier: 3.562A pdb=" N VAL R 380 " --> pdb=" O GLU R 389 " (cutoff:3.500A) Processing sheet with id=AJ7, first strand: chain 'S' and resid 401 through 403 Processing sheet with id=AJ8, first strand: chain 'T' and resid 199 through 201 removed outlier: 3.604A pdb=" N LEU T 200 " --> pdb=" O VAL T 233 " (cutoff:3.500A) Processing sheet with id=AJ9, first strand: chain 'U' and resid 153 through 157 removed outlier: 4.250A pdb=" N ALA U 136 " --> pdb=" O LEU U 157 " (cutoff:3.500A) removed outlier: 9.697A pdb=" N LEU U 119 " --> pdb=" O LYS U 88 " (cutoff:3.500A) removed outlier: 7.246A pdb=" N ILE U 90 " --> pdb=" O LEU U 119 " (cutoff:3.500A) removed outlier: 7.968A pdb=" N LEU U 121 " --> pdb=" O ILE U 90 " (cutoff:3.500A) removed outlier: 6.928A pdb=" N TRP U 92 " --> pdb=" O LEU U 121 " (cutoff:3.500A) removed outlier: 5.194A pdb=" N LEU U 89 " --> pdb=" O GLY U 39 " (cutoff:3.500A) removed outlier: 6.671A pdb=" N GLY U 39 " --> pdb=" O LEU U 89 " (cutoff:3.500A) removed outlier: 4.220A pdb=" N GLY U 91 " --> pdb=" O ILE U 37 " (cutoff:3.500A) removed outlier: 3.818A pdb=" N TYR U 93 " --> pdb=" O GLY U 35 " (cutoff:3.500A) removed outlier: 7.632A pdb=" N ASP U 40 " --> pdb=" O VAL U 48 " (cutoff:3.500A) removed outlier: 6.348A pdb=" N VAL U 48 " --> pdb=" O ASP U 40 " (cutoff:3.500A) removed outlier: 6.556A pdb=" N LYS U 7 " --> pdb=" O ILE U 46 " (cutoff:3.500A) removed outlier: 8.138A pdb=" N VAL U 48 " --> pdb=" O LYS U 7 " (cutoff:3.500A) removed outlier: 7.413A pdb=" N THR U 9 " --> pdb=" O VAL U 48 " (cutoff:3.500A) removed outlier: 8.176A pdb=" N ASN U 50 " --> pdb=" O THR U 9 " (cutoff:3.500A) Processing sheet with id=AK1, first strand: chain 'V' and resid 57 through 58 removed outlier: 7.202A pdb=" N THR V 26 " --> pdb=" O VAL V 63 " (cutoff:3.500A) removed outlier: 8.106A pdb=" N VAL V 65 " --> pdb=" O THR V 26 " (cutoff:3.500A) removed outlier: 6.536A pdb=" N TYR V 28 " --> pdb=" O VAL V 65 " (cutoff:3.500A) removed outlier: 5.678A pdb=" N VAL V 27 " --> pdb=" O ASP V 202 " (cutoff:3.500A) Processing sheet with id=AK2, first strand: chain 'V' and resid 50 through 54 removed outlier: 4.367A pdb=" N GLY V 106 " --> pdb=" O MET V 53 " (cutoff:3.500A) removed outlier: 4.718A pdb=" N VAL V 152 " --> pdb=" O ASP V 142 " (cutoff:3.500A) Processing sheet with id=AK3, first strand: chain 'W' and resid 63 through 66 removed outlier: 3.658A pdb=" N SER W 63 " --> pdb=" O LEU W 51 " (cutoff:3.500A) removed outlier: 4.190A pdb=" N PHE W 65 " --> pdb=" O VAL W 49 " (cutoff:3.500A) removed outlier: 5.628A pdb=" N VAL W 49 " --> pdb=" O PHE W 65 " (cutoff:3.500A) removed outlier: 6.863A pdb=" N GLU W 4 " --> pdb=" O THR W 48 " (cutoff:3.500A) removed outlier: 8.379A pdb=" N GLY W 50 " --> pdb=" O GLU W 4 " (cutoff:3.500A) removed outlier: 6.884A pdb=" N THR W 6 " --> pdb=" O GLY W 50 " (cutoff:3.500A) removed outlier: 7.900A pdb=" N ILE W 52 " --> pdb=" O THR W 6 " (cutoff:3.500A) removed outlier: 6.033A pdb=" N LEU W 8 " --> pdb=" O ILE W 52 " (cutoff:3.500A) removed outlier: 3.502A pdb=" N PHE W 113 " --> pdb=" O VAL W 9 " (cutoff:3.500A) removed outlier: 7.051A pdb=" N GLN W 108 " --> pdb=" O ALA W 138 " (cutoff:3.500A) removed outlier: 8.019A pdb=" N ASP W 140 " --> pdb=" O GLN W 108 " (cutoff:3.500A) removed outlier: 6.441A pdb=" N ILE W 110 " --> pdb=" O ASP W 140 " (cutoff:3.500A) removed outlier: 7.642A pdb=" N ILE W 142 " --> pdb=" O ILE W 110 " (cutoff:3.500A) removed outlier: 6.873A pdb=" N ALA W 112 " --> pdb=" O ILE W 142 " (cutoff:3.500A) removed outlier: 7.294A pdb=" N HIS W 170 " --> pdb=" O VAL W 137 " (cutoff:3.500A) removed outlier: 5.932A pdb=" N VAL W 139 " --> pdb=" O HIS W 170 " (cutoff:3.500A) removed outlier: 7.111A pdb=" N LEU W 172 " --> pdb=" O VAL W 139 " (cutoff:3.500A) removed outlier: 6.016A pdb=" N ILE W 141 " --> pdb=" O LEU W 172 " (cutoff:3.500A) Processing sheet with id=AK4, first strand: chain 'X' and resid 35 through 36 removed outlier: 3.776A pdb=" N LYS X 36 " --> pdb=" O ASP X 47 " (cutoff:3.500A) removed outlier: 3.683A pdb=" N ASP X 47 " --> pdb=" O LYS X 36 " (cutoff:3.500A) No H-bonds generated for sheet with id=AK4 Processing sheet with id=AK5, first strand: chain 'Z' and resid 914 through 916 4042 hydrogen bonds defined for protein. 11550 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: 47.43 Time building geometry restraints manager: 30.98 seconds NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Histogram of bond lengths: 1.23 - 1.34: 35130 1.34 - 1.46: 23455 1.46 - 1.58: 48758 1.58 - 1.70: 0 1.70 - 1.82: 649 Bond restraints: 107992 Sorted by residual: bond pdb=" C ALA K 265 " pdb=" N PRO K 266 " ideal model delta sigma weight residual 1.334 1.577 -0.244 2.34e-02 1.83e+03 1.08e+02 bond pdb=" C GLU L 274 " pdb=" N PRO L 275 " ideal model delta sigma weight residual 1.334 1.564 -0.230 2.34e-02 1.83e+03 9.64e+01 bond pdb=" C ASP I 165 " pdb=" N PRO I 166 " ideal model delta sigma weight residual 1.334 1.459 -0.125 2.34e-02 1.83e+03 2.86e+01 bond pdb=" C VAL Z 253 " pdb=" N PRO Z 254 " ideal model delta sigma weight residual 1.339 1.382 -0.043 3.40e-02 8.65e+02 1.61e+00 bond pdb=" C ILE A 87 " pdb=" N PRO A 88 " ideal model delta sigma weight residual 1.335 1.350 -0.015 1.36e-02 5.41e+03 1.21e+00 ... (remaining 107987 not shown) Histogram of bond angle deviations from ideal: 100.28 - 107.02: 2304 107.02 - 113.77: 60574 113.77 - 120.51: 43822 120.51 - 127.26: 38396 127.26 - 134.01: 806 Bond angle restraints: 145902 Sorted by residual: angle pdb=" N ARG M 290 " pdb=" CA ARG M 290 " pdb=" C ARG M 290 " ideal model delta sigma weight residual 110.91 116.42 -5.51 1.17e+00 7.31e-01 2.22e+01 angle pdb=" C LYS L 426 " pdb=" CA LYS L 426 " pdb=" CB LYS L 426 " ideal model delta sigma weight residual 116.34 109.93 6.41 1.40e+00 5.10e-01 2.10e+01 angle pdb=" C ASP K 422 " pdb=" CA ASP K 422 " pdb=" CB ASP K 422 " ideal model delta sigma weight residual 117.23 112.18 5.05 1.36e+00 5.41e-01 1.38e+01 angle pdb=" C TYR l 6 " pdb=" N ASP l 7 " pdb=" CA ASP l 7 " ideal model delta sigma weight residual 121.54 127.72 -6.18 1.91e+00 2.74e-01 1.05e+01 angle pdb=" C THR b 41 " pdb=" N GLY b 42 " pdb=" CA GLY b 42 " ideal model delta sigma weight residual 121.41 127.43 -6.02 1.96e+00 2.60e-01 9.43e+00 ... (remaining 145897 not shown) Histogram of dihedral angle deviations from ideal: 0.00 - 15.99: 64528 15.99 - 31.98: 729 31.98 - 47.97: 357 47.97 - 63.96: 48 63.96 - 79.95: 10 Dihedral angle restraints: 65672 sinusoidal: 26459 harmonic: 39213 Sorted by residual: dihedral pdb=" CA THR 1 41 " pdb=" C THR 1 41 " pdb=" N GLY 1 42 " pdb=" CA GLY 1 42 " ideal model delta harmonic sigma weight residual 180.00 150.27 29.73 0 5.00e+00 4.00e-02 3.54e+01 dihedral pdb=" CA THR b 41 " pdb=" C THR b 41 " pdb=" N GLY b 42 " pdb=" CA GLY b 42 " ideal model delta harmonic sigma weight residual 180.00 150.47 29.53 0 5.00e+00 4.00e-02 3.49e+01 dihedral pdb=" CA SER L 292 " pdb=" C SER L 292 " pdb=" N GLU L 293 " pdb=" CA GLU L 293 " ideal model delta harmonic sigma weight residual 180.00 151.44 28.56 0 5.00e+00 4.00e-02 3.26e+01 ... (remaining 65669 not shown) Histogram of chiral volume deviations from ideal: 0.000 - 0.035: 11431 0.035 - 0.069: 3837 0.069 - 0.104: 908 0.104 - 0.138: 399 0.138 - 0.173: 10 Chirality restraints: 16585 Sorted by residual: chirality pdb=" CB ILE K 158 " pdb=" CA ILE K 158 " pdb=" CG1 ILE K 158 " pdb=" CG2 ILE K 158 " both_signs ideal model delta sigma weight residual False 2.64 2.82 -0.17 2.00e-01 2.50e+01 7.47e-01 chirality pdb=" CB ILE R 241 " pdb=" CA ILE R 241 " pdb=" CG1 ILE R 241 " pdb=" CG2 ILE R 241 " both_signs ideal model delta sigma weight residual False 2.64 2.82 -0.17 2.00e-01 2.50e+01 7.36e-01 chirality pdb=" CB VAL P 134 " pdb=" CA VAL P 134 " pdb=" CG1 VAL P 134 " pdb=" CG2 VAL P 134 " both_signs ideal model delta sigma weight residual False -2.63 -2.46 -0.17 2.00e-01 2.50e+01 7.28e-01 ... (remaining 16582 not shown) Planarity restraints: 18788 Sorted by residual: delta sigma weight rms_deltas residual plane pdb=" C GLY 3 106 " -0.046 5.00e-02 4.00e+02 6.94e-02 7.71e+00 pdb=" N PRO 3 107 " 0.120 5.00e-02 4.00e+02 pdb=" CA PRO 3 107 " -0.036 5.00e-02 4.00e+02 pdb=" CD PRO 3 107 " -0.038 5.00e-02 4.00e+02 delta sigma weight rms_deltas residual plane pdb=" C GLY L 124 " 0.045 5.00e-02 4.00e+02 6.80e-02 7.39e+00 pdb=" N PRO L 125 " -0.118 5.00e-02 4.00e+02 pdb=" CA PRO L 125 " 0.035 5.00e-02 4.00e+02 pdb=" CD PRO L 125 " 0.038 5.00e-02 4.00e+02 delta sigma weight rms_deltas residual plane pdb=" C GLY h 101 " 0.041 5.00e-02 4.00e+02 6.13e-02 6.00e+00 pdb=" N PRO h 102 " -0.106 5.00e-02 4.00e+02 pdb=" CA PRO h 102 " 0.031 5.00e-02 4.00e+02 pdb=" CD PRO h 102 " 0.034 5.00e-02 4.00e+02 ... (remaining 18785 not shown) Histogram of nonbonded interaction distances: 2.22 - 2.76: 14212 2.76 - 3.29: 98547 3.29 - 3.83: 165623 3.83 - 4.36: 199594 4.36 - 4.90: 343933 Nonbonded interactions: 821909 Sorted by model distance: nonbonded pdb=" OG SER b 21 " pdb=" OG SER b 150 " model vdw 2.220 2.440 nonbonded pdb=" O LYS O 47 " pdb=" OH TYR O 81 " model vdw 2.228 2.440 nonbonded pdb=" OG1 THR e 46 " pdb=" O ASP e 219 " model vdw 2.232 2.440 nonbonded pdb=" O ALA 1 181 " pdb=" OG SER 1 188 " model vdw 2.234 2.440 nonbonded pdb=" OD1 ASN e 106 " pdb=" OH TYR e 142 " model vdw 2.234 2.440 ... (remaining 821904 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 '1' selection = chain 'b' } ncs_group { reference = chain '2' selection = chain 'i' } ncs_group { reference = chain '3' selection = chain 'h' } ncs_group { reference = chain '4' selection = chain 'g' } ncs_group { reference = chain '5' selection = chain 'f' } ncs_group { reference = chain '6' selection = chain 'e' } ncs_group { reference = chain '7' selection = chain 'a' } ncs_group { reference = chain 'A' selection = chain 'c' } ncs_group { reference = chain 'B' selection = chain 'j' } ncs_group { reference = chain 'C' selection = chain 'd' } ncs_group { reference = chain 'D' selection = chain 'n' } ncs_group { reference = chain 'E' selection = chain 'm' } ncs_group { reference = chain 'F' selection = chain 'l' } ncs_group { reference = chain 'G' selection = (chain 'k' and resid 5 through 247) } Set up NCS constraints No NCS constraints will be used in refinement. Set refine NCS operators Adjust number of macro_cycles Number of macro_cycles: 10 Reset NCS operators Extract rigid body selections Check and reset occupancies Occupancies: min=1.00 max=1.00 mean=1.00 Load rotamer database and sin/cos tables Set ADP refinement strategy ADPs will be refined as group one per residue Make a string to write initial .geo file Internal consistency checks Time: Set random seed: 0.000 Set model cs if undefined: 0.000 Decide on map wrapping: 0.000 Normalize map: mean=0, sd=1: 1.720 Set stop_for_unknowns flag: 0.000 Assert model is a single copy model: 0.000 Assert all atoms have isotropic ADPs: 0.010 Construct map_model_manager: 0.060 Extract box with map and model: 12.740 Check model and map are aligned: 1.190 Set scattering table: 0.700 Process input model: 208.080 Find NCS groups from input model: 6.430 Set up NCS constraints: 0.520 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:2.790 Set ADP refinement strategy: 0.000 Make a string to write initial .geo file:0.000 Internal consistency checks: 0.000 Total: 234.260 ------------------------------------------------------------------------------- Set refinement monitor ********************** ------------------------------------------------------------------------------- Setup refinement engine *********************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.6994 moved from start: 0.0000 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.002 0.244 107992 Z= 0.122 Angle : 0.396 10.343 145902 Z= 0.227 Chirality : 0.039 0.173 16585 Planarity : 0.003 0.069 18788 Dihedral : 7.118 79.946 40445 Min Nonbonded Distance : 2.220 Molprobity Statistics. All-atom Clashscore : 6.65 Ramachandran Plot: Outliers : 0.07 % Allowed : 5.81 % Favored : 94.12 % Rotamer: Outliers : 0.00 % Allowed : 0.09 % Favored : 99.91 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -3.52 (0.06), residues: 13383 helix: -3.69 (0.04), residues: 5186 sheet: -1.09 (0.10), residues: 1880 loop : -1.33 (0.07), residues: 6317 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.023 0.001 TRP N 742 HIS 0.004 0.000 HIS i 145 PHE 0.010 0.001 PHE a 69 TYR 0.016 0.001 TYR M 77 ARG 0.003 0.000 ARG K 281 *********************** REFINEMENT MACRO_CYCLE 1 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 26766 Ramachandran restraints generated. 13383 Oldfield, 0 Emsley, 13383 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 26766 Ramachandran restraints generated. 13383 Oldfield, 0 Emsley, 13383 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 5062 residues out of total 11630 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 5062 time to evaluate : 8.971 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 0 outliers final: 0 residues processed: 5062 average time/residue: 1.0063 time to fit residues: 8511.0128 Evaluate side-chains 2260 residues out of total 11630 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 2260 time to evaluate : 9.399 Switching outliers to nearest non-outliers outliers start: 0 outliers final: 0 residues processed: 0 time to fit residues: 12.0668 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=5.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1334 random chunks: chunk 1126 optimal weight: 6.9990 chunk 1011 optimal weight: 9.9990 chunk 561 optimal weight: 10.0000 chunk 345 optimal weight: 4.9990 chunk 682 optimal weight: 7.9990 chunk 540 optimal weight: 9.9990 chunk 1045 optimal weight: 6.9990 chunk 404 optimal weight: 1.9990 chunk 635 optimal weight: 1.9990 chunk 778 optimal weight: 5.9990 chunk 1211 optimal weight: 1.9990 overall best weight: 3.3990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: 1 57 HIS 1 160 ASN 2 39 ASN 2 110 GLN 2 114 GLN 2 115 HIS ** 2 145 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 223 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 64 ASN 3 72 ASN 3 204 GLN 4 41 HIS 4 86 GLN ** 4 118 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 146 HIS ** 4 191 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 5 84 GLN 5 141 HIS 5 254 HIS 5 263 HIS 5 284 ASN 6 99 ASN 6 111 ASN 6 113 GLN 6 114 HIS 6 177 ASN 7 141 ASN ** 7 145 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 249 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** b 57 HIS b 79 GLN b 139 HIS b 180 GLN ** i 39 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** i 189 GLN ** i 229 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 145 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** g 166 GLN ** f 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** f 266 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 27 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** e 113 GLN a 141 ASN a 145 ASN A 27 GLN ** A 92 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 123 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 126 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 193 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 120 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 147 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D-221 GLN D -73 ASN D -62 ASN ** D -5 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 180 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** F 4 ASN F 31 GLN F 41 ASN ** F 52 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** F 148 GLN G 127 ASN G 144 ASN ** d 120 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** n 118 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** n 122 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** n 235 GLN ** m 73 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 91 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** l 210 ASN k 183 HIS ** k 225 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** H 98 GLN ** H 182 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** I 151 HIS ** I 192 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** I 274 ASN J 295 ASN ** J 336 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** J 391 ASN ** K 140 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** L 302 GLN ** L 393 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** M 240 ASN ** M 250 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 387 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** N 34 GLN N 116 GLN N 226 ASN N 308 ASN ** N 329 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 352 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** N 375 HIS N 719 ASN ** N 738 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 64 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 229 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** O 282 GLN ** O 362 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 88 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 128 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** P 183 GLN ** P 210 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** P 246 GLN P 277 GLN P 336 HIS P 385 ASN Q 16 ASN Q 106 GLN ** Q 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 226 HIS Q 346 ASN ** Q 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 425 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** R 23 ASN R 73 ASN R 100 ASN R 130 GLN ** R 132 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** R 195 ASN R 376 GLN ** R 415 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 91 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 177 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** S 191 HIS ** S 227 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** S 283 GLN ** S 311 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 314 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** S 321 GLN S 347 HIS S 417 GLN ** S 450 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** S 459 GLN S 469 ASN ** T 84 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** T 92 ASN U 75 ASN U 84 ASN ** U 94 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 116 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 156 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 173 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 192 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 230 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 270 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** U 294 ASN V 133 ASN ** V 181 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** V 190 HIS ** V 195 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** V 250 GLN ** V 290 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** W 42 ASN W 86 HIS W 184 ASN X 38 ASN X 94 ASN ** Z 391 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 810 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 93 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7599 moved from start: 0.5622 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.006 0.145 107992 Z= 0.390 Angle : 0.796 14.006 145902 Z= 0.413 Chirality : 0.049 0.316 16585 Planarity : 0.006 0.109 18788 Dihedral : 4.322 39.694 14622 Min Nonbonded Distance : 1.992 Molprobity Statistics. All-atom Clashscore : 20.23 Ramachandran Plot: Outliers : 0.10 % Allowed : 3.44 % Favored : 96.46 % Rotamer: Outliers : 4.51 % Allowed : 13.97 % Favored : 81.51 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -2.06 (0.06), residues: 13383 helix: -1.63 (0.06), residues: 5599 sheet: -0.78 (0.11), residues: 2017 loop : -1.11 (0.08), residues: 5767 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.039 0.002 TRP 1 61 HIS 0.012 0.002 HIS j 190 PHE 0.047 0.003 PHE M 349 TYR 0.045 0.003 TYR A 30 ARG 0.021 0.001 ARG V 157 *********************** REFINEMENT MACRO_CYCLE 2 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 26766 Ramachandran restraints generated. 13383 Oldfield, 0 Emsley, 13383 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 26766 Ramachandran restraints generated. 13383 Oldfield, 0 Emsley, 13383 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 2828 residues out of total 11630 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 525 poor density : 2303 time to evaluate : 9.062 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 525 outliers final: 307 residues processed: 2659 average time/residue: 0.9232 time to fit residues: 4218.5392 Evaluate side-chains 2002 residues out of total 11630 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 307 poor density : 1695 time to evaluate : 9.039 Switching outliers to nearest non-outliers outliers start: 307 outliers final: 0 residues processed: 307 average time/residue: 0.7426 time to fit residues: 442.4286 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1334 random chunks: chunk 673 optimal weight: 6.9990 chunk 375 optimal weight: 0.9990 chunk 1008 optimal weight: 1.9990 chunk 824 optimal weight: 10.0000 chunk 334 optimal weight: 4.9990 chunk 1213 optimal weight: 9.9990 chunk 1311 optimal weight: 8.9990 chunk 1080 optimal weight: 8.9990 chunk 1203 optimal weight: 10.0000 chunk 413 optimal weight: 0.7980 chunk 973 optimal weight: 0.7980 overall best weight: 1.9186 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** 2 145 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 201 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 223 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 64 ASN ** 4 118 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 191 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 171 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 6 177 ASN 7 135 GLN 7 141 ASN 7 249 ASN b 57 HIS b 79 GLN i 95 HIS i 120 GLN ** i 229 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** g 37 GLN ** f 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** f 254 HIS f 266 HIS ** e 111 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** e 174 ASN A 27 GLN ** A 92 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 181 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 195 ASN B 149 GLN D -73 ASN ** D -5 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** E 108 ASN ** E 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 52 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 121 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** F 166 GLN ** G 87 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** G 144 ASN ** G 207 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** c 37 GLN ** d 120 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** d 173 GLN ** n 118 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** n 122 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 73 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 91 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** k 90 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** k 225 ASN H 80 HIS H 182 ASN ** H 465 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 192 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** I 204 HIS I 274 ASN ** I 311 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** J 25 GLN ** J 52 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** J 379 GLN K 74 HIS ** K 140 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** K 164 ASN L 169 ASN ** L 393 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 387 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 329 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 352 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 613 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 616 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 667 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 738 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** O 122 HIS O 282 GLN ** O 323 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 362 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 88 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 128 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** P 385 ASN P 425 HIS Q 16 ASN Q 213 GLN Q 379 GLN ** Q 425 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** R 143 GLN R 378 ASN ** R 406 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 415 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 91 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** S 166 ASN ** S 206 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** S 227 ASN ** S 450 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 84 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 116 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 173 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 193 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 230 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 270 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** U 294 ASN ** V 195 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** W 29 GLN ** W 92 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 391 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Z 810 ASN Total number of N/Q/H flips: 46 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7640 moved from start: 0.6384 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.092 107992 Z= 0.251 Angle : 0.657 11.709 145902 Z= 0.336 Chirality : 0.045 0.241 16585 Planarity : 0.004 0.068 18788 Dihedral : 4.204 37.670 14622 Min Nonbonded Distance : 2.029 Molprobity Statistics. All-atom Clashscore : 17.56 Ramachandran Plot: Outliers : 0.11 % Allowed : 3.83 % Favored : 96.05 % Rotamer: Outliers : 2.15 % Allowed : 16.58 % Favored : 81.27 % 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: -1.35 (0.07), residues: 13383 helix: -0.73 (0.06), residues: 5631 sheet: -0.61 (0.11), residues: 2014 loop : -0.99 (0.08), residues: 5738 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.041 0.002 TRP S 54 HIS 0.008 0.001 HIS P 348 PHE 0.038 0.002 PHE Q 116 TYR 0.038 0.002 TYR S 421 ARG 0.018 0.001 ARG e 204 *********************** REFINEMENT MACRO_CYCLE 3 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 26766 Ramachandran restraints generated. 13383 Oldfield, 0 Emsley, 13383 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 26766 Ramachandran restraints generated. 13383 Oldfield, 0 Emsley, 13383 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 2195 residues out of total 11630 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 250 poor density : 1945 time to evaluate : 9.108 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 250 outliers final: 112 residues processed: 2118 average time/residue: 0.9651 time to fit residues: 3530.7429 Evaluate side-chains 1721 residues out of total 11630 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 112 poor density : 1609 time to evaluate : 8.890 Switching outliers to nearest non-outliers outliers start: 112 outliers final: 0 residues processed: 112 average time/residue: 0.8004 time to fit residues: 178.4618 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1334 random chunks: chunk 1199 optimal weight: 10.0000 chunk 912 optimal weight: 0.9990 chunk 629 optimal weight: 1.9990 chunk 134 optimal weight: 4.9990 chunk 579 optimal weight: 0.0020 chunk 814 optimal weight: 10.0000 chunk 1217 optimal weight: 0.0060 chunk 1289 optimal weight: 20.0000 chunk 636 optimal weight: 10.0000 chunk 1154 optimal weight: 9.9990 chunk 347 optimal weight: 10.0000 overall best weight: 1.6010 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: 2 110 GLN 2 114 GLN 2 120 GLN ** 2 145 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 223 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 37 GLN 4 55 GLN ** 4 191 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 5 218 ASN 6 55 ASN ** 6 171 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 177 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 7 70 ASN b 160 ASN i 229 GLN h 157 ASN g 198 GLN ** e 55 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 172 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 92 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 190 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C 120 GLN ** D -5 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** E 73 HIS E 154 GLN ** F 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 52 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** c 37 GLN ** d 120 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** n 118 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** n 122 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** m 180 GLN ** k 90 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** k 204 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 465 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 192 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** I 274 ASN ** I 311 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** I 410 GLN ** J 52 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 140 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 175 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L 364 HIS ** L 393 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 387 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 329 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 352 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 613 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 667 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** N 738 GLN ** P 88 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 128 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 413 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 16 ASN ** Q 425 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 195 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** R 340 GLN R 378 ASN ** R 415 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 91 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 206 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** S 450 ASN ** T 84 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** T 123 HIS ** U 116 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 193 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 230 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 270 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 126 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 181 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 195 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** W 92 GLN ** Z 391 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Z 760 HIS Total number of N/Q/H flips: 28 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7669 moved from start: 0.6843 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.086 107992 Z= 0.222 Angle : 0.622 12.914 145902 Z= 0.316 Chirality : 0.044 0.189 16585 Planarity : 0.004 0.072 18788 Dihedral : 4.202 38.649 14622 Min Nonbonded Distance : 2.092 Molprobity Statistics. All-atom Clashscore : 17.02 Ramachandran Plot: Outliers : 0.12 % Allowed : 3.89 % Favored : 95.99 % Rotamer: Outliers : 2.07 % Allowed : 17.63 % Favored : 80.30 % 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: -1.06 (0.07), residues: 13383 helix: -0.35 (0.07), residues: 5676 sheet: -0.50 (0.11), residues: 2046 loop : -0.99 (0.08), residues: 5661 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.062 0.002 TRP S 54 HIS 0.014 0.001 HIS Z 766 PHE 0.045 0.002 PHE Q 116 TYR 0.033 0.002 TYR R 400 ARG 0.010 0.001 ARG D-121 *********************** REFINEMENT MACRO_CYCLE 4 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 26766 Ramachandran restraints generated. 13383 Oldfield, 0 Emsley, 13383 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 26766 Ramachandran restraints generated. 13383 Oldfield, 0 Emsley, 13383 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 2059 residues out of total 11630 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 241 poor density : 1818 time to evaluate : 9.032 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 241 outliers final: 127 residues processed: 1980 average time/residue: 0.9186 time to fit residues: 3144.8680 Evaluate side-chains 1690 residues out of total 11630 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 127 poor density : 1563 time to evaluate : 9.052 Switching outliers to nearest non-outliers outliers start: 127 outliers final: 0 residues processed: 127 average time/residue: 0.7783 time to fit residues: 196.1075 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=3.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1334 random chunks: chunk 1073 optimal weight: 8.9990 chunk 731 optimal weight: 9.9990 chunk 18 optimal weight: 2.9990 chunk 960 optimal weight: 4.9990 chunk 532 optimal weight: 2.9990 chunk 1100 optimal weight: 10.0000 chunk 891 optimal weight: 5.9990 chunk 1 optimal weight: 6.9990 chunk 658 optimal weight: 0.0670 chunk 1157 optimal weight: 9.9990 chunk 325 optimal weight: 2.9990 overall best weight: 2.8126 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: 1 139 HIS ** 2 51 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 110 GLN 2 114 GLN 2 120 GLN ** 2 145 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 223 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 191 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 6 27 ASN 6 113 GLN ** 6 171 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 177 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 7 70 ASN ** e 27 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** e 55 ASN ** A 92 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 123 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 240 ASN ** B 190 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C 31 HIS D-161 ASN ** D -5 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** F 90 GLN ** G 207 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** G 225 ASN c 37 GLN c 221 ASN ** d 120 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 147 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** n 118 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** n 122 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** l 148 GLN ** k 90 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** H 339 GLN H 348 ASN ** I 192 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 254 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** I 274 ASN ** I 311 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** I 410 GLN ** J 52 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 89 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** J 123 HIS J 220 GLN K 140 HIS K 264 ASN ** L 175 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 393 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** M 71 ASN ** M 387 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 329 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 352 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 613 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** N 703 GLN N 877 GLN ** O 304 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 323 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 88 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 94 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 128 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 306 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 348 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 413 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 16 ASN ** Q 425 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 195 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** R 378 ASN ** R 406 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 415 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 91 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 122 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 206 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 235 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 311 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** S 347 HIS ** T 84 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** T 127 GLN U 26 GLN ** U 107 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 116 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 193 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 230 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 270 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 73 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** V 102 GLN ** V 126 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** V 181 ASN ** V 195 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 391 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Z 897 HIS Total number of N/Q/H flips: 35 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7770 moved from start: 0.7552 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.005 0.124 107992 Z= 0.312 Angle : 0.685 13.238 145902 Z= 0.350 Chirality : 0.045 0.191 16585 Planarity : 0.005 0.083 18788 Dihedral : 4.555 40.625 14622 Min Nonbonded Distance : 2.069 Molprobity Statistics. All-atom Clashscore : 19.79 Ramachandran Plot: Outliers : 0.14 % Allowed : 4.69 % Favored : 95.17 % Rotamer: Outliers : 2.44 % Allowed : 18.47 % Favored : 79.09 % 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: -1.05 (0.07), residues: 13383 helix: -0.31 (0.07), residues: 5710 sheet: -0.52 (0.11), residues: 1990 loop : -1.03 (0.08), residues: 5683 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.029 0.002 TRP O 352 HIS 0.014 0.001 HIS C 94 PHE 0.041 0.002 PHE Q 116 TYR 0.030 0.002 TYR Q 291 ARG 0.013 0.001 ARG C 18 *********************** REFINEMENT MACRO_CYCLE 5 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 26766 Ramachandran restraints generated. 13383 Oldfield, 0 Emsley, 13383 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 26766 Ramachandran restraints generated. 13383 Oldfield, 0 Emsley, 13383 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1999 residues out of total 11630 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 284 poor density : 1715 time to evaluate : 10.374 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 284 outliers final: 141 residues processed: 1898 average time/residue: 0.9308 time to fit residues: 3116.6229 Evaluate side-chains 1625 residues out of total 11630 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 141 poor density : 1484 time to evaluate : 8.819 Switching outliers to nearest non-outliers outliers start: 141 outliers final: 0 residues processed: 141 average time/residue: 0.7835 time to fit residues: 219.5747 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=3.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1334 random chunks: chunk 433 optimal weight: 2.9990 chunk 1161 optimal weight: 10.0000 chunk 254 optimal weight: 2.9990 chunk 757 optimal weight: 7.9990 chunk 318 optimal weight: 4.9990 chunk 1290 optimal weight: 9.9990 chunk 1071 optimal weight: 6.9990 chunk 597 optimal weight: 5.9990 chunk 107 optimal weight: 5.9990 chunk 426 optimal weight: 0.5980 chunk 677 optimal weight: 2.9990 overall best weight: 2.9188 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** 2 51 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 110 GLN 2 120 GLN ** 2 145 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** 2 201 ASN ** 3 38 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 72 ASN 4 118 GLN ** 6 171 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 177 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 7 70 ASN 7 95 HIS i 39 ASN h 64 ASN e 27 ASN A 15 HIS A 37 GLN ** A 92 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 123 ASN A 176 GLN ** B 190 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C 96 GLN D-146 GLN ** D -5 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 168 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** F 5 ASN F 90 GLN ** F 117 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** G 127 ASN ** G 207 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** c 37 GLN ** d 120 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 147 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** n 118 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** n 122 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** k 90 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** k 237 GLN H 339 GLN ** H 465 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 192 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** I 254 GLN I 274 ASN I 311 ASN I 365 HIS ** J 52 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 89 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 83 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** K 140 HIS ** L 175 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 393 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** M 71 ASN ** M 302 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 387 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 329 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** N 352 ASN N 375 HIS ** N 613 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** O 64 ASN ** O 253 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 88 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 128 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** P 195 GLN ** P 413 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 379 GLN ** Q 425 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** R 42 GLN R 143 GLN ** R 195 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 415 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 91 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** S 122 ASN ** S 206 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** S 311 GLN ** T 84 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** T 204 ASN ** U 107 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 116 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 192 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 193 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 126 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 195 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** W 92 GLN X 38 ASN ** Z 391 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Z 760 HIS Total number of N/Q/H flips: 41 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7805 moved from start: 0.8044 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.005 0.100 107992 Z= 0.314 Angle : 0.686 15.355 145902 Z= 0.351 Chirality : 0.046 0.206 16585 Planarity : 0.004 0.065 18788 Dihedral : 4.691 34.008 14622 Min Nonbonded Distance : 2.040 Molprobity Statistics. All-atom Clashscore : 19.84 Ramachandran Plot: Outliers : 0.14 % Allowed : 4.74 % Favored : 95.12 % Rotamer: Outliers : 1.92 % Allowed : 19.82 % Favored : 78.26 % 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: -1.03 (0.07), residues: 13383 helix: -0.26 (0.07), residues: 5694 sheet: -0.53 (0.11), residues: 1978 loop : -1.04 (0.08), residues: 5711 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.024 0.002 TRP f 133 HIS 0.009 0.001 HIS f 263 PHE 0.043 0.002 PHE Q 116 TYR 0.053 0.002 TYR a 109 ARG 0.015 0.001 ARG k 93 *********************** REFINEMENT MACRO_CYCLE 6 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 26766 Ramachandran restraints generated. 13383 Oldfield, 0 Emsley, 13383 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 26766 Ramachandran restraints generated. 13383 Oldfield, 0 Emsley, 13383 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1864 residues out of total 11630 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 223 poor density : 1641 time to evaluate : 9.306 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 223 outliers final: 115 residues processed: 1787 average time/residue: 0.9465 time to fit residues: 2940.6513 Evaluate side-chains 1548 residues out of total 11630 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 115 poor density : 1433 time to evaluate : 9.106 Switching outliers to nearest non-outliers outliers start: 115 outliers final: 0 residues processed: 115 average time/residue: 0.7188 time to fit residues: 168.7725 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=2.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1334 random chunks: chunk 1244 optimal weight: 50.0000 chunk 145 optimal weight: 0.5980 chunk 735 optimal weight: 0.8980 chunk 942 optimal weight: 0.7980 chunk 730 optimal weight: 0.0030 chunk 1086 optimal weight: 6.9990 chunk 720 optimal weight: 7.9990 chunk 1285 optimal weight: 20.0000 chunk 804 optimal weight: 3.9990 chunk 783 optimal weight: 1.9990 chunk 593 optimal weight: 10.0000 overall best weight: 0.8592 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** 2 51 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 114 GLN 2 120 GLN ** 2 145 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 55 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 191 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 171 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 177 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 7 70 ASN 7 95 HIS h 45 HIS h 64 ASN ** e 27 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 92 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 176 GLN ** B 190 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D-123 GLN ** D -5 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** E 168 ASN F 31 GLN F 90 GLN ** F 117 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 207 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** c 37 GLN ** d 120 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** n 118 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** n 122 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** m 154 GLN m 206 GLN l 152 ASN ** k 90 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** k 118 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 151 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** H 413 ASN I 274 ASN ** J 52 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 89 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 83 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 175 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 393 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 302 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 387 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 613 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 253 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 88 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 128 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** P 277 GLN ** P 413 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 425 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** R 143 GLN ** R 195 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 415 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 91 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 206 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** S 347 HIS ** T 84 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 116 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 270 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 195 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** X 38 ASN ** Z 391 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 21 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7748 moved from start: 0.8105 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.055 107992 Z= 0.187 Angle : 0.638 14.495 145902 Z= 0.320 Chirality : 0.044 0.245 16585 Planarity : 0.004 0.057 18788 Dihedral : 4.435 31.695 14622 Min Nonbonded Distance : 2.005 Molprobity Statistics. All-atom Clashscore : 16.96 Ramachandran Plot: Outliers : 0.14 % Allowed : 4.09 % Favored : 95.77 % Rotamer: Outliers : 1.08 % Allowed : 21.13 % Favored : 77.78 % 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: -0.81 (0.07), residues: 13383 helix: -0.02 (0.07), residues: 5726 sheet: -0.48 (0.12), residues: 1937 loop : -0.96 (0.08), residues: 5720 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.023 0.001 TRP f 133 HIS 0.010 0.001 HIS 2 95 PHE 0.044 0.002 PHE Q 116 TYR 0.038 0.001 TYR b 121 ARG 0.016 0.001 ARG M 299 *********************** REFINEMENT MACRO_CYCLE 7 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 26766 Ramachandran restraints generated. 13383 Oldfield, 0 Emsley, 13383 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 26766 Ramachandran restraints generated. 13383 Oldfield, 0 Emsley, 13383 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1820 residues out of total 11630 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 126 poor density : 1694 time to evaluate : 9.129 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 126 outliers final: 68 residues processed: 1764 average time/residue: 0.9293 time to fit residues: 2845.3574 Evaluate side-chains 1561 residues out of total 11630 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 68 poor density : 1493 time to evaluate : 9.133 Switching outliers to nearest non-outliers outliers start: 68 outliers final: 0 residues processed: 68 average time/residue: 0.7692 time to fit residues: 110.2443 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=2.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1334 random chunks: chunk 795 optimal weight: 3.9990 chunk 513 optimal weight: 5.9990 chunk 767 optimal weight: 3.9990 chunk 387 optimal weight: 7.9990 chunk 252 optimal weight: 6.9990 chunk 249 optimal weight: 0.9990 chunk 817 optimal weight: 2.9990 chunk 875 optimal weight: 10.0000 chunk 635 optimal weight: 5.9990 chunk 119 optimal weight: 0.9990 chunk 1010 optimal weight: 2.9990 overall best weight: 2.3990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** 2 51 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 120 GLN ** 4 191 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 6 55 ASN 6 111 ASN ** 6 171 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 177 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 70 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 7 95 HIS ** i 189 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** h 45 HIS f 241 HIS ** e 27 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 89 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 111 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 92 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 190 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C 21 GLN ** D -5 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** F 31 GLN ** F 52 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** F 90 GLN ** G 207 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** d 96 GLN d 120 GLN ** d 147 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 227 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** n 118 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** n 122 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** l 152 ASN l 210 ASN ** k 90 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** k 118 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** k 237 GLN H 348 ASN ** I 192 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 52 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 89 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 205 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 64 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 83 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 140 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 175 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L 328 ASN L 393 ASN M 71 ASN ** M 387 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 176 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 329 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 613 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 253 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 88 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 128 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** P 246 GLN ** P 413 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** P 440 HIS ** Q 425 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 195 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 415 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 91 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 206 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 283 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 84 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 107 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 116 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 192 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 126 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 195 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 58 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 106 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** X 38 ASN ** Z 391 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 21 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7805 moved from start: 0.8400 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.085 107992 Z= 0.278 Angle : 0.679 14.482 145902 Z= 0.344 Chirality : 0.045 0.248 16585 Planarity : 0.004 0.057 18788 Dihedral : 4.589 33.768 14622 Min Nonbonded Distance : 2.029 Molprobity Statistics. All-atom Clashscore : 20.09 Ramachandran Plot: Outliers : 0.14 % Allowed : 4.92 % Favored : 94.94 % Rotamer: Outliers : 1.25 % Allowed : 21.78 % Favored : 76.97 % 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: -0.84 (0.07), residues: 13383 helix: -0.05 (0.07), residues: 5708 sheet: -0.49 (0.12), residues: 1928 loop : -0.98 (0.08), residues: 5747 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.052 0.002 TRP i 71 HIS 0.011 0.001 HIS 2 95 PHE 0.045 0.002 PHE Q 116 TYR 0.044 0.002 TYR A 30 ARG 0.014 0.001 ARG M 299 *********************** REFINEMENT MACRO_CYCLE 8 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 26766 Ramachandran restraints generated. 13383 Oldfield, 0 Emsley, 13383 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 26766 Ramachandran restraints generated. 13383 Oldfield, 0 Emsley, 13383 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1682 residues out of total 11630 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 145 poor density : 1537 time to evaluate : 9.150 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 145 outliers final: 86 residues processed: 1615 average time/residue: 0.9366 time to fit residues: 2628.8939 Evaluate side-chains 1530 residues out of total 11630 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 86 poor density : 1444 time to evaluate : 9.196 Switching outliers to nearest non-outliers outliers start: 86 outliers final: 0 residues processed: 86 average time/residue: 0.8248 time to fit residues: 142.1454 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1334 random chunks: chunk 1169 optimal weight: 9.9990 chunk 1231 optimal weight: 0.9990 chunk 1123 optimal weight: 10.0000 chunk 1198 optimal weight: 7.9990 chunk 721 optimal weight: 4.9990 chunk 521 optimal weight: 3.9990 chunk 940 optimal weight: 1.9990 chunk 367 optimal weight: 3.9990 chunk 1082 optimal weight: 3.9990 chunk 1133 optimal weight: 9.9990 chunk 1193 optimal weight: 0.8980 overall best weight: 2.3788 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** 2 51 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 120 GLN ** 6 171 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 177 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 70 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 27 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 89 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 111 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 92 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 181 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B 94 HIS ** B 190 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C 21 GLN D-161 ASN ** D -5 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 117 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** c 37 GLN ** d 227 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** n 118 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** n 122 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** n 209 ASN ** m 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** k 90 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** k 118 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 192 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 49 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 52 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 89 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 205 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 64 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 83 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 175 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L 393 ASN ** M 387 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 613 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 253 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 323 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 88 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 128 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 413 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 425 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** R 143 GLN ** R 195 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 374 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 415 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 30 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 91 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 206 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 84 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** U 107 ASN ** U 116 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 192 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 262 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 294 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 126 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 195 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 106 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** X 38 ASN Total number of N/Q/H flips: 10 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7815 moved from start: 0.8610 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.077 107992 Z= 0.277 Angle : 0.691 14.294 145902 Z= 0.350 Chirality : 0.045 0.304 16585 Planarity : 0.004 0.070 18788 Dihedral : 4.666 34.063 14622 Min Nonbonded Distance : 2.030 Molprobity Statistics. All-atom Clashscore : 20.09 Ramachandran Plot: Outliers : 0.15 % Allowed : 4.98 % Favored : 94.87 % Rotamer: Outliers : 0.79 % Allowed : 22.22 % Favored : 76.99 % Cbeta Deviations : 0.01 % 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: -0.87 (0.07), residues: 13383 helix: -0.05 (0.07), residues: 5707 sheet: -0.51 (0.12), residues: 1922 loop : -1.02 (0.08), residues: 5754 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.050 0.002 TRP i 71 HIS 0.010 0.001 HIS d 94 PHE 0.047 0.002 PHE Q 116 TYR 0.052 0.002 TYR A 30 ARG 0.015 0.001 ARG M 299 *********************** REFINEMENT MACRO_CYCLE 9 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 26766 Ramachandran restraints generated. 13383 Oldfield, 0 Emsley, 13383 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 26766 Ramachandran restraints generated. 13383 Oldfield, 0 Emsley, 13383 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1611 residues out of total 11630 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 92 poor density : 1519 time to evaluate : 9.267 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 92 outliers final: 57 residues processed: 1568 average time/residue: 0.9552 time to fit residues: 2603.9510 Evaluate side-chains 1482 residues out of total 11630 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 57 poor density : 1425 time to evaluate : 9.089 Switching outliers to nearest non-outliers outliers start: 57 outliers final: 0 residues processed: 57 average time/residue: 0.7941 time to fit residues: 97.1623 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1334 random chunks: chunk 786 optimal weight: 0.2980 chunk 1266 optimal weight: 50.0000 chunk 773 optimal weight: 4.9990 chunk 601 optimal weight: 0.9990 chunk 880 optimal weight: 10.0000 chunk 1329 optimal weight: 0.2980 chunk 1223 optimal weight: 2.9990 chunk 1058 optimal weight: 10.0000 chunk 109 optimal weight: 5.9990 chunk 817 optimal weight: 0.9980 chunk 648 optimal weight: 0.9990 overall best weight: 0.7184 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** 2 51 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 120 GLN 3 72 ASN ** 3 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 191 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 171 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 70 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 7 95 HIS ** a 111 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 37 GLN ** A 92 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 181 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 190 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C 21 GLN C 96 GLN ** D -5 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 117 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 227 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** n 118 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** n 122 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** k 90 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** k 118 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** k 237 GLN ** H 151 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 192 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 49 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 52 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 89 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 205 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** J 391 ASN ** K 64 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 83 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 175 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 393 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 387 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 613 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 253 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 323 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 128 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 413 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 206 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 379 GLN ** Q 425 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** R 143 GLN ** R 195 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 374 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 415 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 30 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 91 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 206 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 283 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** T 84 GLN ** U 107 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 116 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 262 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 270 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 294 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 195 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** X 38 ASN Total number of N/Q/H flips: 12 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7763 moved from start: 0.8605 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.059 107992 Z= 0.188 Angle : 0.679 14.750 145902 Z= 0.339 Chirality : 0.045 0.300 16585 Planarity : 0.004 0.062 18788 Dihedral : 4.504 31.818 14622 Min Nonbonded Distance : 2.046 Molprobity Statistics. All-atom Clashscore : 17.71 Ramachandran Plot: Outliers : 0.14 % Allowed : 4.33 % Favored : 95.52 % Rotamer: Outliers : 0.28 % Allowed : 22.93 % Favored : 76.79 % Cbeta Deviations : 0.01 % 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: -0.72 (0.07), residues: 13383 helix: 0.08 (0.07), residues: 5698 sheet: -0.47 (0.12), residues: 1949 loop : -0.93 (0.08), residues: 5736 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.041 0.002 TRP i 71 HIS 0.010 0.001 HIS d 94 PHE 0.048 0.002 PHE Q 116 TYR 0.050 0.002 TYR A 30 ARG 0.016 0.001 ARG C 143 ********************** REFINEMENT MACRO_CYCLE 10 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 26766 Ramachandran restraints generated. 13383 Oldfield, 0 Emsley, 13383 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 26766 Ramachandran restraints generated. 13383 Oldfield, 0 Emsley, 13383 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1627 residues out of total 11630 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 32 poor density : 1595 time to evaluate : 9.209 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 32 outliers final: 14 residues processed: 1612 average time/residue: 0.9566 time to fit residues: 2664.6075 Evaluate side-chains 1475 residues out of total 11630 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 14 poor density : 1461 time to evaluate : 9.020 Switching outliers to nearest non-outliers outliers start: 14 outliers final: 0 residues processed: 14 average time/residue: 0.8417 time to fit residues: 33.6180 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1334 random chunks: chunk 840 optimal weight: 5.9990 chunk 1127 optimal weight: 5.9990 chunk 324 optimal weight: 0.6980 chunk 975 optimal weight: 0.5980 chunk 156 optimal weight: 0.8980 chunk 294 optimal weight: 0.7980 chunk 1059 optimal weight: 3.9990 chunk 443 optimal weight: 4.9990 chunk 1088 optimal weight: 10.0000 chunk 134 optimal weight: 4.9990 chunk 195 optimal weight: 3.9990 overall best weight: 1.3982 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: 1 108 ASN ** 2 51 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 120 GLN 3 64 ASN ** 3 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 191 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 171 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 70 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 7 95 HIS ** e 89 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 111 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 181 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 190 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 120 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 124 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D -5 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** F 90 GLN ** F 117 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 121 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** c 123 ASN ** d 227 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** n 118 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** n 122 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** k 90 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** k 118 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 151 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 192 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 49 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 52 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 89 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 205 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 64 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 83 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 175 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 393 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 387 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 613 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 253 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 323 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 128 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 413 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 206 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 379 GLN ** Q 425 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** R 143 GLN ** R 195 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 374 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 415 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 30 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 91 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 206 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 116 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** U 173 HIS ** U 192 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 262 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 270 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 294 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 195 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 106 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 9 ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.4068 r_free = 0.4068 target = 0.123675 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 40)----------------| | r_work = 0.3624 r_free = 0.3624 target = 0.097832 restraints weight = 352612.362| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 2; iterations = 65)----------------| | r_work = 0.3671 r_free = 0.3671 target = 0.097518 restraints weight = 195682.290| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 3; iterations = 36)----------------| | r_work = 0.3689 r_free = 0.3689 target = 0.098463 restraints weight = 125083.633| |-----------------------------------------------------------------------------| r_work (final): 0.3654 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7745 moved from start: 0.8715 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.059 107992 Z= 0.217 Angle : 0.681 16.895 145902 Z= 0.341 Chirality : 0.045 0.277 16585 Planarity : 0.004 0.062 18788 Dihedral : 4.504 39.592 14622 Min Nonbonded Distance : 2.051 Molprobity Statistics. All-atom Clashscore : 18.52 Ramachandran Plot: Outliers : 0.13 % Allowed : 4.70 % Favored : 95.17 % Rotamer: Outliers : 0.34 % Allowed : 23.33 % Favored : 76.34 % Cbeta Deviations : 0.01 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.01 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -0.69 (0.07), residues: 13383 helix: 0.10 (0.07), residues: 5699 sheet: -0.42 (0.12), residues: 1937 loop : -0.92 (0.08), residues: 5747 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.039 0.002 TRP i 71 HIS 0.009 0.001 HIS d 94 PHE 0.048 0.002 PHE Q 116 TYR 0.055 0.002 TYR H 249 ARG 0.014 0.001 ARG 5 234 Origin is already at (0, 0, 0), no shifts will be applied =============================================================================== Job complete usr+sys time: 45352.87 seconds wall clock time: 782 minutes 14.95 seconds (46934.95 seconds total)