Starting phenix.real_space_refine (version: dev) on Thu Apr 21 19:58:39 2022 by dcliebschner =============================================================================== Processing files: ------------------------------------------------------------------------------- Found model, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6ek0_3883/04_2022/6ek0_3883_updated.pdb Found real_map, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6ek0_3883/04_2022/6ek0_3883.map Found restraint, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6ek0_3883/04_2022/6ek0_3883_ligands.cif Processing PHIL parameters: ------------------------------------------------------------------------------- Adding command-line PHIL: ------------------------- refinement.macro_cycles=10 scattering_table=electron resolution=2.9 write_initial_geo_file=False Final processed PHIL parameters: ------------------------------------------------------------------------------- data_manager { restraint_files = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6ek0_3883/04_2022/6ek0_3883_ligands.cif" default_restraint = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6ek0_3883/04_2022/6ek0_3883_ligands.cif" real_map_files = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6ek0_3883/04_2022/6ek0_3883.map" default_real_map = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6ek0_3883/04_2022/6ek0_3883.map" model { file = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6ek0_3883/04_2022/6ek0_3883_updated.pdb" } default_model = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6ek0_3883/04_2022/6ek0_3883_updated.pdb" } resolution = 2.9 write_initial_geo_file = False refinement { macro_cycles = 10 } Starting job =============================================================================== ------------------------------------------------------------------------------- Citation: ********* Afonine PV, Poon BK, Read RJ, Sobolev OV, Terwilliger TC, Urzhumtsev A, Adams PD. (2018) Real-space refinement in PHENIX for cryo-EM and crystallography. Acta Cryst. D74:531-544. Validating inputs ------------------------------------------------------------------------------- Processing inputs ***************** Set random seed Set to: 0 Set model cs if undefined Decide on map wrapping Map wrapping is set to: False Normalize map: mean=0, sd=1 Input map: mean= 0.000 sd= 0.010 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 Convert atoms to be neutral Process input model Symmetric amino acids flipped Residue "LA ARG 30": "NH1" <-> "NH2" Residue "LA ARG 128": "NH1" <-> "NH2" Residue "LA ARG 198": "NH1" <-> "NH2" Residue "LA ARG 245": "NH1" <-> "NH2" Residue "LB ARG 10": "NH1" <-> "NH2" Residue "LB ARG 97": "NH1" <-> "NH2" Residue "LB ARG 198": "NH1" <-> "NH2" Residue "LB ARG 268": "NH1" <-> "NH2" Residue "LB ARG 378": "NH1" <-> "NH2" Residue "LC ARG 49": "NH1" <-> "NH2" Residue "LC TYR 52": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LC ARG 78": "NH1" <-> "NH2" Residue "LC ARG 109": "NH1" <-> "NH2" Residue "LC ARG 110": "NH1" <-> "NH2" Residue "LC ARG 204": "NH1" <-> "NH2" Residue "LC ARG 205": "NH1" <-> "NH2" Residue "LC ARG 300": "NH1" <-> "NH2" Residue "LC ARG 311": "NH1" <-> "NH2" Residue "LC ARG 323": "NH1" <-> "NH2" Residue "LC ARG 337": "NH1" <-> "NH2" Residue "LD ARG 23": "NH1" <-> "NH2" Residue "LD ARG 24": "NH1" <-> "NH2" Residue "LD ARG 33": "NH1" <-> "NH2" Residue "LD ARG 108": "NH1" <-> "NH2" Residue "LD ARG 179": "NH1" <-> "NH2" Residue "LD ARG 209": "NH1" <-> "NH2" Residue "LE ARG 161": "NH1" <-> "NH2" Residue "LE ARG 188": "NH1" <-> "NH2" Residue "LE ARG 223": "NH1" <-> "NH2" Residue "LF ARG 43": "NH1" <-> "NH2" Residue "LF ARG 46": "NH1" <-> "NH2" Residue "LF ARG 70": "NH1" <-> "NH2" Residue "LF ARG 94": "NH1" <-> "NH2" Residue "LF ARG 134": "NH1" <-> "NH2" Residue "LF ARG 157": "NH1" <-> "NH2" Residue "LF ARG 245": "NH1" <-> "NH2" Residue "LG ARG 35": "NH1" <-> "NH2" Residue "LG ARG 59": "NH1" <-> "NH2" Residue "LG ARG 89": "NH1" <-> "NH2" Residue "LG PHE 169": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LG ARG 189": "NH1" <-> "NH2" Residue "LG ARG 234": "NH1" <-> "NH2" Residue "LH ARG 23": "NH1" <-> "NH2" Residue "LH ARG 89": "NH1" <-> "NH2" Residue "LH ARG 93": "NH1" <-> "NH2" Residue "LI ARG 4": "NH1" <-> "NH2" Residue "LI ARG 7": "NH1" <-> "NH2" Residue "LI ARG 24": "NH1" <-> "NH2" Residue "LI ARG 38": "NH1" <-> "NH2" Residue "LI ARG 69": "NH1" <-> "NH2" Residue "LI ARG 98": "NH1" <-> "NH2" Residue "LI ARG 116": "NH1" <-> "NH2" Residue "LI ARG 153": "NH1" <-> "NH2" Residue "LI ARG 162": "NH1" <-> "NH2" Residue "LI ARG 210": "NH1" <-> "NH2" Residue "LJ ARG 35": "NH1" <-> "NH2" Residue "LJ ARG 63": "NH1" <-> "NH2" Residue "LJ ARG 64": "NH1" <-> "NH2" Residue "LL ARG 21": "NH1" <-> "NH2" Residue "LL ARG 31": "NH1" <-> "NH2" Residue "LL ARG 36": "NH1" <-> "NH2" Residue "LL ARG 65": "NH1" <-> "NH2" Residue "LL ARG 102": "NH1" <-> "NH2" Residue "LL ARG 116": "NH1" <-> "NH2" Residue "LL ARG 158": "NH1" <-> "NH2" Residue "LM ARG 98": "NH1" <-> "NH2" Residue "LM ARG 109": "NH1" <-> "NH2" Residue "LM ARG 119": "NH1" <-> "NH2" Residue "LM ARG 121": "NH1" <-> "NH2" Residue "LN ARG 20": "NH1" <-> "NH2" Residue "LN ARG 50": "NH1" <-> "NH2" Residue "LN ARG 65": "NH1" <-> "NH2" Residue "LN ARG 96": "NH1" <-> "NH2" Residue "LN ARG 108": "NH1" <-> "NH2" Residue "LN ARG 169": "NH1" <-> "NH2" Residue "LN ARG 189": "NH1" <-> "NH2" Residue "LN ARG 194": "NH1" <-> "NH2" Residue "LO ARG 37": "NH1" <-> "NH2" Residue "LO ARG 49": "NH1" <-> "NH2" Residue "LO ARG 78": "NH1" <-> "NH2" Residue "LO ARG 128": "NH1" <-> "NH2" Residue "LO ARG 140": "NH1" <-> "NH2" Residue "LP ARG 3": "NH1" <-> "NH2" Residue "LP ARG 30": "NH1" <-> "NH2" Residue "LP ARG 61": "NH1" <-> "NH2" Residue "LP ARG 62": "NH1" <-> "NH2" Residue "LQ ARG 37": "NH1" <-> "NH2" Residue "LQ ARG 55": "NH1" <-> "NH2" Residue "LQ ARG 91": "NH1" <-> "NH2" Residue "LQ ARG 108": "NH1" <-> "NH2" Residue "LQ ARG 180": "NH1" <-> "NH2" Residue "LR ARG 38": "NH1" <-> "NH2" Residue "LR ARG 42": "NH1" <-> "NH2" Residue "LR ARG 52": "NH1" <-> "NH2" Residue "LR ARG 74": "NH1" <-> "NH2" Residue "LR ARG 117": "NH1" <-> "NH2" Residue "LR ARG 151": "NH1" <-> "NH2" Residue "LR ARG 176": "NH1" <-> "NH2" Residue "LS ARG 31": "NH1" <-> "NH2" Residue "LS ARG 43": "NH1" <-> "NH2" Residue "LS ARG 83": "NH1" <-> "NH2" Residue "LS ARG 111": "NH1" <-> "NH2" Residue "LS ARG 118": "NH1" <-> "NH2" Residue "LS ARG 139": "NH1" <-> "NH2" Residue "LS PHE 152": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LT ARG 8": "NH1" <-> "NH2" Residue "LT ARG 17": "NH1" <-> "NH2" Residue "LT ARG 130": "NH1" <-> "NH2" Residue "LT ARG 136": "NH1" <-> "NH2" Residue "LV ARG 48": "NH1" <-> "NH2" Residue "LV ARG 51": "NH1" <-> "NH2" Residue "LV ARG 83": "NH1" <-> "NH2" Residue "LV ARG 89": "NH1" <-> "NH2" Residue "LV ARG 131": "NH1" <-> "NH2" Residue "LW ARG 19": "NH1" <-> "NH2" Residue "LW ARG 73": "NH1" <-> "NH2" Residue "LX ARG 53": "NH1" <-> "NH2" Residue "LX ARG 139": "NH1" <-> "NH2" Residue "LY ARG 27": "NH1" <-> "NH2" Residue "LY ARG 87": "NH1" <-> "NH2" Residue "LZ ARG 65": "NH1" <-> "NH2" Residue "LZ PHE 71": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LZ ARG 84": "NH1" <-> "NH2" Residue "La ARG 21": "NH1" <-> "NH2" Residue "La ARG 65": "NH1" <-> "NH2" Residue "La ARG 105": "NH1" <-> "NH2" Residue "La ARG 131": "NH1" <-> "NH2" Residue "Lb ARG 14": "NH1" <-> "NH2" Residue "Lb ARG 18": "NH1" <-> "NH2" Residue "Lb ARG 28": "NH1" <-> "NH2" Residue "Lb ARG 91": "NH1" <-> "NH2" Residue "Lc ARG 39": "NH1" <-> "NH2" Residue "Ld ARG 90": "NH1" <-> "NH2" Residue "Ld TYR 103": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Le ARG 36": "NH1" <-> "NH2" Residue "Le ARG 39": "NH1" <-> "NH2" Residue "Le ARG 47": "NH1" <-> "NH2" Residue "Le ARG 128": "NH1" <-> "NH2" Residue "Lf ARG 36": "NH1" <-> "NH2" Residue "Lf ARG 89": "NH1" <-> "NH2" Residue "Lg ARG 60": "NH1" <-> "NH2" Residue "Lh ARG 7": "NH1" <-> "NH2" Residue "Lh ARG 56": "NH1" <-> "NH2" Residue "Lh ARG 94": "NH1" <-> "NH2" Residue "Li ARG 25": "NH1" <-> "NH2" Residue "Li ARG 45": "NH1" <-> "NH2" Residue "Li ARG 68": "NH1" <-> "NH2" Residue "Li ARG 76": "NH1" <-> "NH2" Residue "Lj ARG 45": "NH1" <-> "NH2" Residue "Lj ARG 55": "NH1" <-> "NH2" Residue "Lj ARG 56": "NH1" <-> "NH2" Residue "Lj ARG 72": "NH1" <-> "NH2" Residue "Lj ARG 79": "NH1" <-> "NH2" Residue "Lk ARG 3": "NH1" <-> "NH2" Residue "Lk ARG 40": "NH1" <-> "NH2" Residue "Ll ARG 28": "NH1" <-> "NH2" Residue "Ll ARG 42": "NH1" <-> "NH2" Residue "Ll ARG 45": "NH1" <-> "NH2" Residue "Lm ARG 97": "NH1" <-> "NH2" Residue "Lm ARG 106": "NH1" <-> "NH2" Residue "Lm ARG 111": "NH1" <-> "NH2" Residue "Ln ARG 2": "NH1" <-> "NH2" Residue "Ln ARG 23": "NH1" <-> "NH2" Residue "Lo ARG 40": "NH1" <-> "NH2" Residue "Lo ARG 43": "NH1" <-> "NH2" Residue "Lo ARG 78": "NH1" <-> "NH2" Residue "Lp ARG 17": "NH1" <-> "NH2" Residue "Lp ARG 49": "NH1" <-> "NH2" Residue "Lp ARG 84": "NH1" <-> "NH2" Residue "Lr ARG 71": "NH1" <-> "NH2" Residue "Lr ARG 112": "NH1" <-> "NH2" Residue "Lr ARG 113": "NH1" <-> "NH2" Residue "Lz ARG 202": "NH1" <-> "NH2" Residue "SA ARG 155": "NH1" <-> "NH2" Residue "SA ARG 191": "NH1" <-> "NH2" Residue "SB ARG 51": "NH1" <-> "NH2" Residue "SB ARG 82": "NH1" <-> "NH2" Residue "SB ARG 107": "NH1" <-> "NH2" Residue "SB ARG 136": "NH1" <-> "NH2" Residue "SB ARG 151": "NH1" <-> "NH2" Residue "SB ARG 162": "NH1" <-> "NH2" Residue "SB ARG 165": "NH1" <-> "NH2" Residue "SB ARG 213": "NH1" <-> "NH2" Residue "SD ARG 9": "NH1" <-> "NH2" Residue "SD ARG 94": "NH1" <-> "NH2" Residue "SD TYR 166": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SE ARG 11": "NH1" <-> "NH2" Residue "SE ARG 30": "NH1" <-> "NH2" Residue "SE ARG 49": "NH1" <-> "NH2" Residue "SE ARG 51": "NH1" <-> "NH2" Residue "SE ARG 68": "NH1" <-> "NH2" Residue "SE ARG 100": "NH1" <-> "NH2" Residue "SE ARG 148": "NH1" <-> "NH2" Residue "SE ARG 191": "NH1" <-> "NH2" Residue "SE ARG 198": "NH1" <-> "NH2" Residue "SE ARG 221": "NH1" <-> "NH2" Residue "SE ARG 240": "NH1" <-> "NH2" Residue "SE ARG 252": "NH1" <-> "NH2" Residue "SF ARG 62": "NH1" <-> "NH2" Residue "SF ARG 71": "NH1" <-> "NH2" Residue "SF ARG 81": "NH1" <-> "NH2" Residue "SF ARG 127": "NH1" <-> "NH2" Residue "SF ARG 164": "NH1" <-> "NH2" Residue "SH PHE 19": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SH ARG 57": "NH1" <-> "NH2" Residue "SH ARG 78": "NH1" <-> "NH2" Residue "SH ARG 81": "NH1" <-> "NH2" Residue "SH ARG 99": "NH1" <-> "NH2" Residue "SH ARG 118": "NH1" <-> "NH2" Residue "SH ARG 143": "NH1" <-> "NH2" Residue "SI ARG 25": "NH1" <-> "NH2" Residue "SI ARG 41": "NH1" <-> "NH2" Residue "SI ARG 59": "NH1" <-> "NH2" Residue "SI ARG 123": "NH1" <-> "NH2" Residue "SK ARG 65": "NH1" <-> "NH2" Residue "SP ARG 13": "NH1" <-> "NH2" Residue "SP ARG 61": "NH1" <-> "NH2" Residue "SQ ARG 45": "NH1" <-> "NH2" Residue "SQ ARG 62": "NH1" <-> "NH2" Residue "SQ ARG 125": "NH1" <-> "NH2" Residue "SQ ARG 126": "NH1" <-> "NH2" Residue "SQ ARG 138": "NH1" <-> "NH2" Residue "SQ ARG 140": "NH1" <-> "NH2" Residue "SR ARG 3": "NH1" <-> "NH2" Residue "SR ARG 5": "NH1" <-> "NH2" Residue "SS ARG 14": "NH1" <-> "NH2" Residue "SS ARG 39": "NH1" <-> "NH2" Residue "SS ARG 55": "NH1" <-> "NH2" Residue "SS ARG 86": "NH1" <-> "NH2" Residue "SS ARG 141": "NH1" <-> "NH2" Residue "SS ARG 142": "NH1" <-> "NH2" Residue "ST ARG 62": "NH1" <-> "NH2" Residue "ST ARG 102": "NH1" <-> "NH2" Residue "ST ARG 121": "NH1" <-> "NH2" Residue "SU ARG 21": "NH1" <-> "NH2" Residue "SU ARG 87": "NH1" <-> "NH2" Residue "SV ARG 61": "NH1" <-> "NH2" Residue "SX ARG 5": "NH1" <-> "NH2" Residue "SX ARG 8": "NH1" <-> "NH2" Residue "SX ARG 17": "NH1" <-> "NH2" Residue "SX ARG 67": "NH1" <-> "NH2" Residue "SX ARG 71": "NH1" <-> "NH2" Residue "SX ARG 107": "NH1" <-> "NH2" Residue "Sa ARG 10": "NH1" <-> "NH2" Residue "Sa ARG 22": "NH1" <-> "NH2" Residue "Sa ARG 85": "NH1" <-> "NH2" Residue "Sa ARG 85": "NH1" <-> "NH2" Residue "Sa ARG 87": "NH1" <-> "NH2" Residue "Sa ARG 89": "NH1" <-> "NH2" Residue "Sc ARG 13": "NH1" <-> "NH2" Residue "Sc ARG 40": "NH1" <-> "NH2" Residue "Sc ARG 44": "NH1" <-> "NH2" Residue "Sg ARG 57": "NH1" <-> "NH2" Residue "Sg ARG 100": "NH1" <-> "NH2" Residue "Sg TYR 140": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Sg TYR 194": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SC ARG 117": "NH1" <-> "NH2" Residue "SC ARG 121": "NH1" <-> "NH2" Residue "SC ARG 123": "NH1" <-> "NH2" Residue "SC ARG 166": "NH1" <-> "NH2" Residue "SC ARG 167": "NH1" <-> "NH2" Residue "SC ARG 187": "NH1" <-> "NH2" Residue "SC ARG 200": "NH1" <-> "NH2" Residue "SC ARG 200": "NH1" <-> "NH2" Residue "SC ARG 227": "NH1" <-> "NH2" Residue "SG ARG 22": "NH1" <-> "NH2" Residue "SG ARG 131": "NH1" <-> "NH2" Residue "SG ARG 132": "NH1" <-> "NH2" Residue "SG ARG 170": "NH1" <-> "NH2" Residue "SG ARG 178": "NH1" <-> "NH2" Residue "SG ARG 216": "NH1" <-> "NH2" Residue "SJ ARG 17": "NH1" <-> "NH2" Residue "SJ ARG 54": "NH1" <-> "NH2" Residue "SJ ARG 69": "NH1" <-> "NH2" Residue "SJ ARG 83": "NH1" <-> "NH2" Residue "SJ ARG 108": "NH1" <-> "NH2" Residue "SJ ARG 131": "NH1" <-> "NH2" Residue "SJ ARG 169": "NH1" <-> "NH2" Residue "SN ARG 19": "NH1" <-> "NH2" Residue "SN ARG 104": "NH1" <-> "NH2" Residue "SN ARG 114": "NH1" <-> "NH2" Residue "SN ARG 121": "NH1" <-> "NH2" Residue "SN ARG 127": "NH1" <-> "NH2" Residue "SO ARG 117": "NH1" <-> "NH2" Residue "SO ARG 121": "NH1" <-> "NH2" Residue "SO ARG 141": "NH1" <-> "NH2" Residue "SO ARG 150": "NH1" <-> "NH2" Residue "SW PHE 50": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SW ARG 68": "NH1" <-> "NH2" Residue "SW ARG 97": "NH1" <-> "NH2" Residue "SY ARG 20": "NH1" <-> "NH2" Residue "SY ARG 61": "NH1" <-> "NH2" Residue "SY ARG 93": "NH1" <-> "NH2" Residue "SZ ARG 80": "NH1" <-> "NH2" Residue "Sb TYR 31": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Se ARG 31": "NH1" <-> "NH2" Time to flip residues: 0.22s Monomer Library directory: "/net/cci-filer2/raid1/xp/phenix/phenix-dev-4553/modules/chem_data/mon_lib" Total number of atoms: 219596 Number of models: 1 Model: "" Number of chains: 128 Chain: "L5" Number of atoms: 80257 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3773, 80257 Classifications: {'RNA': 3721, 'DNA': 52} Modifications used: {'5*END': 1, 'rna3p': 62, 'rna2p_pyr': 234, 'rna3p_pur': 1623, 'rna2p': 11, 'rna3p_pyr': 1407, 'rna2p_pur': 352} Link IDs: {'rna3p': 3176, 'rna2p': 596} Chain breaks: 10 Unresolved chain link angles: 14 Unresolved non-hydrogen bonds: 917 Unresolved non-hydrogen angles: 1615 Unresolved non-hydrogen dihedrals: 637 Unresolved non-hydrogen chiralities: 172 Planarities with less than four sites: {' G:plan2': 24, ' A:plan': 1, ' C:plan': 27, ' U:plan': 4, ' G:plan': 24, ' C:plan2': 27, ' A:plan2': 1} Unresolved non-hydrogen planarities: 682 Chain: "L7" Number of atoms: 2558 Number of conformers: 1 Conformer: "" Number of residues, atoms: 120, 2558 Classifications: {'RNA': 120} Modifications used: {'5*END': 1, 'rna2p_pur': 6, 'rna3p_pur': 55, 'rna2p_pyr': 5, 'rna3p_pyr': 54} Link IDs: {'rna3p': 108, 'rna2p': 11} Chain: "L8" Number of atoms: 3315 Number of conformers: 1 Conformer: "" Number of residues, atoms: 156, 3315 Classifications: {'RNA': 156} Modifications used: {'5*END': 1, 'rna3p': 1, 'rna2p_pyr': 13, 'rna3p_pur': 62, 'rna3p_pyr': 66, 'rna2p_pur': 14} Link IDs: {'rna3p': 128, 'rna2p': 27} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 3 Chain: "LA" Number of atoms: 1898 Number of conformers: 1 Conformer: "" Number of residues, atoms: 248, 1898 Classifications: {'peptide': 248} Link IDs: {'PTRANS': 14, 'TRANS': 233} Chain: "LB" Number of atoms: 3244 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 402, 3238 Classifications: {'peptide': 402} Link IDs: {'PTRANS': 15, 'TRANS': 386} Conformer: "B" Number of residues, atoms: 402, 3238 Classifications: {'peptide': 402} Link IDs: {'PTRANS': 15, 'TRANS': 386} bond proxies already assigned to first conformer: 3299 Chain: "LC" Number of atoms: 2928 Number of conformers: 1 Conformer: "" Number of residues, atoms: 368, 2928 Classifications: {'peptide': 368} Link IDs: {'CIS': 1, 'PTRANS': 18, 'TRANS': 348} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'MLZ:plan-1': 1} Unresolved non-hydrogen planarities: 1 Chain: "LD" Number of atoms: 2382 Number of conformers: 1 Conformer: "" Number of residues, atoms: 293, 2382 Classifications: {'peptide': 293} Incomplete info: {'truncation_to_alanine': 1} Link IDs: {'PTRANS': 9, 'TRANS': 283} Unresolved non-hydrogen bonds: 4 Unresolved non-hydrogen angles: 4 Unresolved non-hydrogen dihedrals: 4 Chain: "LE" Number of atoms: 1904 Number of conformers: 1 Conformer: "" Number of residues, atoms: 236, 1904 Classifications: {'peptide': 236} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 14, 'CIS': 3, 'TRANS': 218} Chain breaks: 1 Chain: "LF" Number of atoms: 1878 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 225, 1870 Classifications: {'peptide': 225} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'TRANS': 217} Conformer: "B" Number of residues, atoms: 225, 1870 Classifications: {'peptide': 225} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'TRANS': 217} bond proxies already assigned to first conformer: 1896 Chain: "LG" Number of atoms: 1935 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 241, 1927 Classifications: {'peptide': 241} Modifications used: {'COO': 1} Incomplete info: {'truncation_to_alanine': 2} Link IDs: {'PTRANS': 14, 'CIS': 1, 'TRANS': 225} Unresolved non-hydrogen bonds: 5 Unresolved non-hydrogen angles: 7 Unresolved non-hydrogen dihedrals: 3 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'ASP:plan': 1} Unresolved non-hydrogen planarities: 3 Conformer: "B" Number of residues, atoms: 241, 1927 Classifications: {'peptide': 241} Modifications used: {'COO': 1} Incomplete info: {'truncation_to_alanine': 2} Link IDs: {'PTRANS': 14, 'CIS': 1, 'TRANS': 225} Unresolved non-hydrogen bonds: 5 Unresolved non-hydrogen angles: 7 Unresolved non-hydrogen dihedrals: 3 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'ASP:plan': 1} Unresolved non-hydrogen planarities: 3 bond proxies already assigned to first conformer: 1951 Chain: "LH" Number of atoms: 1518 Number of conformers: 1 Conformer: "" Number of residues, atoms: 190, 1518 Classifications: {'peptide': 190} Link IDs: {'PTRANS': 4, 'TRANS': 185} Chain: "LI" Number of atoms: 1711 Number of conformers: 1 Conformer: "" Number of residues, atoms: 213, 1711 Classifications: {'peptide': 213} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 11, 'CIS': 2, 'TRANS': 199} Chain: "LJ" Number of atoms: 1410 Number of conformers: 1 Conformer: "" Number of residues, atoms: 176, 1410 Classifications: {'peptide': 176} Link IDs: {'PTRANS': 5, 'CIS': 1, 'TRANS': 169} Chain: "LL" Number of atoms: 1701 Number of conformers: 1 Conformer: "" Number of residues, atoms: 210, 1701 Classifications: {'peptide': 210} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 14, 'TRANS': 195} Chain: "LM" Number of atoms: 1138 Number of conformers: 1 Conformer: "" Number of residues, atoms: 139, 1138 Classifications: {'peptide': 139} Link IDs: {'PTRANS': 5, 'TRANS': 133} Chain: "LN" Number of atoms: 1701 Number of conformers: 1 Conformer: "" Number of residues, atoms: 203, 1701 Classifications: {'peptide': 203} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 9, 'TRANS': 193} Chain: "LO" Number of atoms: 1650 Number of conformers: 1 Conformer: "" Number of residues, atoms: 201, 1650 Classifications: {'peptide': 201} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 9, 'TRANS': 191} Chain: "LP" Number of atoms: 1242 Number of conformers: 1 Conformer: "" Number of residues, atoms: 153, 1242 Classifications: {'peptide': 153} Link IDs: {'PTRANS': 7, 'TRANS': 145} Chain: "LQ" Number of atoms: 1513 Number of conformers: 1 Conformer: "" Number of residues, atoms: 187, 1513 Classifications: {'peptide': 187} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 10, 'CIS': 1, 'TRANS': 175} Chain: "LR" Number of atoms: 1566 Number of conformers: 1 Conformer: "" Number of residues, atoms: 187, 1566 Classifications: {'peptide': 187} Link IDs: {'PTRANS': 3, 'TRANS': 183} Chain: "LS" Number of atoms: 1453 Number of conformers: 1 Conformer: "" Number of residues, atoms: 175, 1453 Classifications: {'peptide': 175} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 10, 'TRANS': 163, 'PCIS': 1} Chain: "LT" Number of atoms: 1298 Number of conformers: 1 Conformer: "" Number of residues, atoms: 159, 1298 Classifications: {'peptide': 159} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 9, 'TRANS': 149} Chain: "LU" Number of atoms: 825 Number of conformers: 1 Conformer: "" Number of residues, atoms: 101, 825 Classifications: {'peptide': 101} Link IDs: {'PTRANS': 2, 'TRANS': 98} Chain: "LV" Number of atoms: 979 Number of conformers: 1 Conformer: "" Number of residues, atoms: 131, 979 Classifications: {'peptide': 131} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 6, 'TRANS': 124} Chain: "LW" Number of atoms: 1015 Number of conformers: 1 Conformer: "" Number of residues, atoms: 124, 1015 Classifications: {'peptide': 124} Link IDs: {'PTRANS': 3, 'TRANS': 120} Chain: "LX" Number of atoms: 985 Number of conformers: 1 Conformer: "" Number of residues, atoms: 120, 985 Classifications: {'peptide': 120} Modifications used: {'COO': 1} Link IDs: {'CIS': 1, 'PTRANS': 8, 'TRANS': 110} Chain: "LY" Number of atoms: 1115 Number of conformers: 1 Conformer: "" Number of residues, atoms: 134, 1115 Classifications: {'peptide': 134} Link IDs: {'PTRANS': 5, 'TRANS': 128} Chain: "LZ" Number of atoms: 1107 Number of conformers: 1 Conformer: "" Number of residues, atoms: 135, 1107 Classifications: {'peptide': 135} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 6, 'TRANS': 128} Chain: "La" Number of atoms: 1162 Number of conformers: 1 Conformer: "" Number of residues, atoms: 147, 1162 Classifications: {'peptide': 147} Modifications used: {'COO': 1} Link IDs: {'CIS': 1, 'PTRANS': 6, 'TRANS': 139} Chain: "Lb" Number of atoms: 876 Number of conformers: 1 Conformer: "" Number of residues, atoms: 109, 876 Classifications: {'peptide': 109} Incomplete info: {'truncation_to_alanine': 2} Link IDs: {'PTRANS': 4, 'TRANS': 104} Chain breaks: 1 Unresolved non-hydrogen bonds: 8 Unresolved non-hydrogen angles: 10 Unresolved non-hydrogen dihedrals: 6 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'ARG:plan': 1} Unresolved non-hydrogen planarities: 5 Chain: "Lc" Number of atoms: 764 Number of conformers: 1 Conformer: "" Number of residues, atoms: 98, 764 Classifications: {'peptide': 98} Link IDs: {'PTRANS': 2, 'TRANS': 95} Chain: "Ld" Number of atoms: 888 Number of conformers: 1 Conformer: "" Number of residues, atoms: 107, 888 Classifications: {'peptide': 107} Link IDs: {'PTRANS': 5, 'TRANS': 101} Chain: "Le" Number of atoms: 1053 Number of conformers: 1 Conformer: "" Number of residues, atoms: 128, 1053 Classifications: {'peptide': 128} Link IDs: {'PTRANS': 6, 'TRANS': 121} Chain: "Lf" Number of atoms: 876 Number of conformers: 1 Conformer: "" Number of residues, atoms: 109, 876 Classifications: {'peptide': 109} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 4, 'TRANS': 104} Chain: "Lg" Number of atoms: 906 Number of conformers: 1 Conformer: "" Number of residues, atoms: 114, 906 Classifications: {'peptide': 114} Link IDs: {'PTRANS': 4, 'TRANS': 109} Chain: "Lh" Number of atoms: 1015 Number of conformers: 1 Conformer: "" Number of residues, atoms: 122, 1015 Classifications: {'peptide': 122} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 3, 'TRANS': 118} Chain: "Li" Number of atoms: 832 Number of conformers: 1 Conformer: "" Number of residues, atoms: 102, 832 Classifications: {'peptide': 102} Link IDs: {'PTRANS': 3, 'TRANS': 98} Chain: "Lj" Number of atoms: 705 Number of conformers: 1 Conformer: "" Number of residues, atoms: 86, 705 Classifications: {'peptide': 86} Link IDs: {'PTRANS': 3, 'TRANS': 82} Chain: "Lk" Number of atoms: 569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 69, 569 Classifications: {'peptide': 69} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 2, 'TRANS': 66} Chain: "Ll" Number of atoms: 444 Number of conformers: 1 Conformer: "" Number of residues, atoms: 50, 444 Classifications: {'peptide': 50} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 2, 'TRANS': 47} Chain: "Lm" Number of atoms: 430 Number of conformers: 1 Conformer: "" Number of residues, atoms: 52, 430 Classifications: {'peptide': 52} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 3, 'TRANS': 48} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'MLZ:plan-1': 1} Unresolved non-hydrogen planarities: 1 Chain: "Ln" Number of atoms: 230 Number of conformers: 1 Conformer: "" Number of residues, atoms: 24, 230 Classifications: {'peptide': 24} Link IDs: {'TRANS': 23} Chain: "Lo" Number of atoms: 870 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 105, 862 Classifications: {'peptide': 105} Link IDs: {'PTRANS': 4, 'CIS': 1, 'TRANS': 99} Conformer: "B" Number of residues, atoms: 105, 862 Classifications: {'peptide': 105} Link IDs: {'PTRANS': 4, 'CIS': 1, 'TRANS': 99} bond proxies already assigned to first conformer: 867 Chain: "Lp" Number of atoms: 708 Number of conformers: 1 Conformer: "" Number of residues, atoms: 91, 708 Classifications: {'peptide': 91} Modifications used: {'COO': 1} Link IDs: {'TRANS': 90} Chain: "Lr" Number of atoms: 1002 Number of conformers: 1 Conformer: "" Number of residues, atoms: 125, 1002 Classifications: {'peptide': 125} Link IDs: {'PTRANS': 5, 'TRANS': 119} Chain: "Lz" Number of atoms: 1741 Number of conformers: 1 Conformer: "" Number of residues, atoms: 217, 1741 Classifications: {'peptide': 217} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 8, 'CIS': 1, 'TRANS': 207} Unresolved non-hydrogen bonds: 3 Unresolved non-hydrogen angles: 4 Unresolved non-hydrogen dihedrals: 2 Planarities with less than four sites: {'ARG:plan': 1} Unresolved non-hydrogen planarities: 3 Chain: "S2" Number of atoms: 36938 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1740, 36938 Classifications: {'RNA': 1725, 'DNA': 15} Modifications used: {'5*END': 1, 'rna3p': 26, 'rna2p_pyr': 128, 'rna3p_pur': 748, 'rna2p': 1, 'rna3p_pyr': 668, 'rna2p_pur': 144} Link IDs: {'rna3p': 1467, 'rna2p': 272} Chain breaks: 4 Unresolved non-hydrogen bonds: 280 Unresolved non-hydrogen angles: 494 Unresolved non-hydrogen dihedrals: 191 Unresolved non-hydrogen chiralities: 57 Planarities with less than four sites: {' G:plan2': 3, ' A:plan': 1, ' C:plan': 11, ' U:plan': 3, ' G:plan': 3, ' C:plan2': 11, ' A:plan2': 1} Unresolved non-hydrogen planarities: 203 Chain: "S6" Number of atoms: 1604 Number of conformers: 1 Conformer: "" Number of residues, atoms: 75, 1604 Classifications: {'RNA': 75} Modifications used: {'5*END': 1, 'rna2p_pur': 11, 'rna3p_pur': 31, 'rna2p_pyr': 5, 'rna3p_pyr': 28} Link IDs: {'rna3p': 59, 'rna2p': 15} Chain: "SA" Number of atoms: 1741 Number of conformers: 1 Conformer: "" Number of residues, atoms: 221, 1741 Classifications: {'peptide': 221} Link IDs: {'CIS': 1, 'PTRANS': 12, 'TRANS': 207} Chain: "SB" Number of atoms: 1738 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1738 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 5, 'TRANS': 208} Chain: "SD" Number of atoms: 1765 Number of conformers: 1 Conformer: "" Number of residues, atoms: 227, 1765 Classifications: {'peptide': 227} Link IDs: {'PTRANS': 11, 'TRANS': 215} Chain: "SE" Number of atoms: 2076 Number of conformers: 1 Conformer: "" Number of residues, atoms: 262, 2076 Classifications: {'peptide': 262} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 14, 'TRANS': 247} Chain: "SF" Number of atoms: 1495 Number of conformers: 1 Conformer: "" Number of residues, atoms: 189, 1495 Classifications: {'peptide': 189} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 5, 'TRANS': 183} Chain: "SH" Number of atoms: 1497 Number of conformers: 1 Conformer: "" Number of residues, atoms: 186, 1497 Classifications: {'peptide': 186} Link IDs: {'PTRANS': 9, 'TRANS': 176} Chain breaks: 1 Chain: "SI" Number of atoms: 1686 Number of conformers: 1 Conformer: "" Number of residues, atoms: 206, 1686 Classifications: {'peptide': 206} Link IDs: {'PTRANS': 7, 'TRANS': 198} Chain: "SK" Number of atoms: 827 Number of conformers: 1 Conformer: "" Number of residues, atoms: 98, 827 Classifications: {'peptide': 98} Link IDs: {'PTRANS': 7, 'TRANS': 90} Chain: "SL" Number of atoms: 1247 Number of conformers: 1 Conformer: "" Number of residues, atoms: 153, 1247 Classifications: {'peptide': 153} Link IDs: {'PTRANS': 6, 'CIS': 2, 'TRANS': 144} Chain: "SP" Number of atoms: 1045 Number of conformers: 1 Conformer: "" Number of residues, atoms: 127, 1045 Classifications: {'peptide': 127} Link IDs: {'PTRANS': 7, 'TRANS': 119} Chain: "SQ" Number of atoms: 1158 Number of conformers: 1 Conformer: "" Number of residues, atoms: 146, 1158 Classifications: {'peptide': 146} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'TRANS': 138} Chain breaks: 1 Chain: "SR" Number of atoms: 1090 Number of conformers: 1 Conformer: "" Number of residues, atoms: 135, 1090 Classifications: {'peptide': 135} Link IDs: {'PTRANS': 7, 'CIS': 2, 'TRANS': 125} Chain: "SS" Number of atoms: 1198 Number of conformers: 1 Conformer: "" Number of residues, atoms: 145, 1198 Classifications: {'peptide': 145} Link IDs: {'PTRANS': 3, 'TRANS': 141} Chain: "ST" Number of atoms: 1112 Number of conformers: 1 Conformer: "" Number of residues, atoms: 143, 1112 Classifications: {'peptide': 143} Link IDs: {'CIS': 2, 'PTRANS': 4, 'TRANS': 136} Chain: "SU" Number of atoms: 821 Number of conformers: 1 Conformer: "" Number of residues, atoms: 104, 821 Classifications: {'peptide': 104} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 5, 'TRANS': 98} Unresolved chain link dihedrals: 1 Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Unresolved non-hydrogen chiralities: 1 Chain: "SV" Number of atoms: 636 Number of conformers: 1 Conformer: "" Number of residues, atoms: 83, 636 Classifications: {'peptide': 83} Link IDs: {'PTRANS': 1, 'TRANS': 81} Chain: "SX" Number of atoms: 1098 Number of conformers: 1 Conformer: "" Number of residues, atoms: 141, 1098 Classifications: {'peptide': 141} Link IDs: {'PTRANS': 5, 'TRANS': 135} Chain: "Sa" Number of atoms: 829 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 102, 821 Classifications: {'peptide': 102} Link IDs: {'PTRANS': 7, 'TRANS': 94} Conformer: "B" Number of residues, atoms: 102, 821 Classifications: {'peptide': 102} Link IDs: {'PTRANS': 7, 'TRANS': 94} bond proxies already assigned to first conformer: 827 Chain: "Sc" Number of atoms: 506 Number of conformers: 1 Conformer: "" Number of residues, atoms: 64, 506 Classifications: {'peptide': 64} Link IDs: {'PTRANS': 2, 'TRANS': 61} Chain: "Sd" Number of atoms: 459 Number of conformers: 1 Conformer: "" Number of residues, atoms: 55, 459 Classifications: {'peptide': 55} Modifications used: {'COO': 1} Link IDs: {'CIS': 1, 'PTRANS': 1, 'TRANS': 52} Chain: "Sg" Number of atoms: 2436 Number of conformers: 1 Conformer: "" Number of residues, atoms: 313, 2436 Classifications: {'peptide': 313} Link IDs: {'PTRANS': 10, 'TRANS': 302} Chain: "SC" Number of atoms: 1733 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 222, 1725 Classifications: {'peptide': 222} Link IDs: {'PTRANS': 12, 'CIS': 1, 'TRANS': 208} Conformer: "B" Number of residues, atoms: 222, 1725 Classifications: {'peptide': 222} Link IDs: {'PTRANS': 12, 'CIS': 1, 'TRANS': 208} bond proxies already assigned to first conformer: 1753 Chain: "SG" Number of atoms: 1923 Number of conformers: 1 Conformer: "" Number of residues, atoms: 237, 1923 Classifications: {'peptide': 237} Link IDs: {'PTRANS': 10, 'TRANS': 226} Chain: "SJ" Number of atoms: 1533 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 185, 1525 Classifications: {'peptide': 185} Link IDs: {'PTRANS': 6, 'TRANS': 178} Conformer: "B" Number of residues, atoms: 185, 1525 Classifications: {'peptide': 185} Link IDs: {'PTRANS': 6, 'TRANS': 178} bond proxies already assigned to first conformer: 1541 Chain: "SM" Number of atoms: 942 Number of conformers: 1 Conformer: "" Number of residues, atoms: 122, 942 Classifications: {'peptide': 122} Modifications used: {'COO': 1} Incomplete info: {'truncation_to_alanine': 2} Link IDs: {'PTRANS': 2, 'TRANS': 119} Unresolved non-hydrogen bonds: 10 Unresolved non-hydrogen angles: 11 Unresolved non-hydrogen dihedrals: 9 Planarities with less than four sites: {'ARG:plan': 1} Unresolved non-hydrogen planarities: 5 Chain: "SN" Number of atoms: 1208 Number of conformers: 1 Conformer: "" Number of residues, atoms: 150, 1208 Classifications: {'peptide': 150} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 8, 'TRANS': 141} Chain: "SO" Number of atoms: 1049 Number of conformers: 1 Conformer: "" Number of residues, atoms: 140, 1049 Classifications: {'peptide': 140} Modifications used: {'COO': 1} Link IDs: {'CIS': 2, 'PTRANS': 6, 'TRANS': 131} Chain: "SW" Number of atoms: 1034 Number of conformers: 1 Conformer: "" Number of residues, atoms: 129, 1034 Classifications: {'peptide': 129} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 3, 'TRANS': 125} Chain: "SY" Number of atoms: 1073 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 131, 1065 Classifications: {'peptide': 131} Link IDs: {'PTRANS': 5, 'TRANS': 125} Conformer: "B" Number of residues, atoms: 131, 1065 Classifications: {'peptide': 131} Link IDs: {'PTRANS': 5, 'TRANS': 125} bond proxies already assigned to first conformer: 1074 Chain: "SZ" Number of atoms: 598 Number of conformers: 1 Conformer: "" Number of residues, atoms: 75, 598 Classifications: {'peptide': 75} Link IDs: {'PTRANS': 2, 'TRANS': 72} Chain: "Sb" Number of atoms: 651 Number of conformers: 1 Conformer: "" Number of residues, atoms: 83, 651 Classifications: {'peptide': 83} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 5, 'TRANS': 77} Chain: "Se" Number of atoms: 459 Number of conformers: 1 Conformer: "" Number of residues, atoms: 58, 459 Classifications: {'peptide': 58} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 3, 'TRANS': 54} Chain: "Sf" Number of atoms: 548 Number of conformers: 1 Conformer: "" Number of residues, atoms: 67, 548 Classifications: {'peptide': 67} Link IDs: {'PTRANS': 2, 'TRANS': 64} Chain: "L5" Number of atoms: 290 Number of conformers: 1 Conformer: "" Number of residues, atoms: 252, 290 Unusual residues: {'HMT': 1, ' MG': 251} Classifications: {'undetermined': 252} Link IDs: {None: 251} Chain: "L7" Number of atoms: 3 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 3 Unusual residues: {' MG': 3} Classifications: {'undetermined': 3} Link IDs: {None: 2} Chain: "L8" Number of atoms: 6 Number of conformers: 1 Conformer: "" Number of residues, atoms: 6, 6 Unusual residues: {' MG': 6} Classifications: {'undetermined': 6} Link IDs: {None: 5} Chain: "LN" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {' MG': 1} Classifications: {'undetermined': 1} Chain: "LP" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {' MG': 1} Classifications: {'undetermined': 1} Chain: "LT" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {' MG': 1} Classifications: {'undetermined': 1} Chain: "LV" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {' MG': 1} Classifications: {'undetermined': 1} Chain: "Le" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {' MG': 1} Classifications: {'undetermined': 1} Chain: "Lf" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {' MG': 1} Classifications: {'undetermined': 1} Chain: "Lg" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {' ZN': 1} Classifications: {'undetermined': 1} Chain: "Lj" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {' ZN': 1} Classifications: {'undetermined': 1} Chain: "Lm" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {' ZN': 1} Classifications: {'undetermined': 1} Chain: "Lo" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {' ZN': 1} Classifications: {'undetermined': 1} Chain: "Lp" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {' ZN': 1} Classifications: {'undetermined': 1} Chain: "S2" Number of atoms: 170 Number of conformers: 1 Conformer: "" Number of residues, atoms: 135, 170 Unusual residues: {' MG': 134, 'HYG': 1} Classifications: {'undetermined': 135} Link IDs: {None: 134} Chain: "SF" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {' MG': 1} Classifications: {'undetermined': 1} Chain: "Sa" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {' ZN': 1} Classifications: {'undetermined': 1} Chain: "Sd" Number of atoms: 2 Number of conformers: 1 Conformer: "" Number of residues, atoms: 2, 2 Unusual residues: {' ZN': 1, ' MG': 1} Classifications: {'undetermined': 2} Link IDs: {None: 1} Chain: "Sf" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {' ZN': 1} Classifications: {'undetermined': 1} Chain: "L5" Number of atoms: 16 Number of conformers: 1 Conformer: "" Number of residues, atoms: 16, 16 Classifications: {'water': 16} Link IDs: {None: 15} Chain: "LA" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Classifications: {'water': 1} Chain: "LB" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Classifications: {'water': 1} Chain: "LC" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Classifications: {'water': 1} Chain: "LF" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Classifications: {'water': 1} Chain: "LG" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Classifications: {'water': 1} Chain: "LH" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Classifications: {'water': 1} Chain: "LI" Number of atoms: 2 Number of conformers: 1 Conformer: "" Number of residues, atoms: 2, 2 Classifications: {'water': 2} Link IDs: {None: 1} Chain: "LN" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Classifications: {'water': 1} Chain: "LS" Number of atoms: 2 Number of conformers: 1 Conformer: "" Number of residues, atoms: 2, 2 Classifications: {'water': 2} Link IDs: {None: 1} Chain: "LY" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Classifications: {'water': 1} Chain: "La" Number of atoms: 2 Number of conformers: 1 Conformer: "" Number of residues, atoms: 2, 2 Classifications: {'water': 2} Link IDs: {None: 1} Chain: "Lb" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Classifications: {'water': 1} Chain: "Lf" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Classifications: {'water': 1} Chain: "Lm" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Classifications: {'water': 1} Chain: "S2" Number of atoms: 14 Number of conformers: 1 Conformer: "" Number of residues, atoms: 14, 14 Classifications: {'water': 14} Link IDs: {None: 13} Chain: "SF" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Classifications: {'water': 1} Chain: "SL" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Classifications: {'water': 1} Chain: "SP" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Classifications: {'water': 1} Chain: "SQ" Number of atoms: 2 Number of conformers: 1 Conformer: "" Number of residues, atoms: 2, 2 Classifications: {'water': 2} Link IDs: {None: 1} Chain: "SR" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Classifications: {'water': 1} Chain: "SS" Number of atoms: 2 Number of conformers: 1 Conformer: "" Number of residues, atoms: 2, 2 Classifications: {'water': 2} Link IDs: {None: 1} Chain: "SV" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Classifications: {'water': 1} Chain: "SC" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Classifications: {'water': 1} Chain: "SG" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Classifications: {'water': 1} Chain: "SJ" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Classifications: {'water': 1} Chain: "SN" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Classifications: {'water': 1} Chain: "Sf" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Classifications: {'water': 1} List of CYS excluded from plausible disulfide bonds: (reason: may participate in coordination) ATOM A0OV8 SG CYSLg 49 96.073 149.213 220.587 1.00 69.35 S ATOM A0QSY SG CYSLj 19 70.322 172.818 172.715 1.00 36.62 S ATOM A0QTQ SG CYSLj 22 68.961 174.079 168.173 1.00 36.58 S ATOM A0QW9 SG CYSLj 34 72.818 173.471 169.626 1.00 33.51 S ATOM A0QWS SG CYSLj 37 70.631 176.314 170.401 1.00 34.26 S ATOM A0S5A SG CYSLm 96 144.879 134.890 92.469 1.00 42.27 S ATOM A0S61 SG CYSLm 99 141.699 133.133 92.961 1.00 44.05 S ATOM A0S8J SG CYSLm 110 142.502 132.834 89.417 1.00 43.29 S ATOM A0S9R SG CYSLm 115 141.048 136.009 90.780 1.00 46.71 S ATOM A0SLV SG CYSLo 12 130.148 237.589 135.333 1.00 56.94 S ATOM A0TFM SG CYSLp 39 111.944 150.314 218.600 1.00 49.82 S ATOM A0TG9 SG CYSLp 42 110.594 147.112 220.317 1.00 50.30 S ATOM A0TJN SG CYSLp 57 109.605 147.515 216.648 1.00 45.62 S ATOM A0TK3 SG CYSLp 60 108.134 150.068 219.181 1.00 48.26 S ATOM A26W7 SG CYSSa 23 168.174 173.602 202.584 1.00 49.63 S ATOM A26WS SG CYSSa 26 167.768 172.649 199.120 1.00 49.05 S ATOM A277F SG CYSSa 74 170.110 170.457 200.756 1.00 50.45 S ATOM A277Y SG CYSSa 77 171.264 173.463 198.976 1.00 52.58 S ATOM A27WY SG CYSSd 21 234.407 165.041 162.466 1.00 65.88 S ATOM A27XM SG CYSSd 24 231.896 162.550 161.702 1.00 64.20 S ATOM A281P SG CYSSd 42 232.138 162.801 165.302 1.00 66.02 S ATOM A280Z SG CYSSd 39 229.371 166.630 162.512 1.00 65.56 S ATOM A2JOJ SG CYSSf 121 258.349 156.431 119.232 1.00 59.31 S ATOM A2JPJ SG CYSSf 126 259.413 154.165 122.135 1.00 63.00 S ATOM A2JST SG CYSSf 141 255.766 154.166 120.570 1.00 46.96 S ATOM A2JTC SG CYSSf 144 256.125 157.705 121.746 1.00 51.67 S Time building chain proxies: 88.69, per 1000 atoms: 0.40 Number of scatterers: 219596 At special positions: 0 Unit cell: (296.1, 311.4, 297, 90, 90, 90) Space group: P 1 (No. 1) Number of sites at special positions: 0 Number of scattering types: 7 Type Number sf(0) Zn 8 29.99 S 429 16.00 P 5859 15.00 Mg 402 11.99 O 56836 8.00 N 40761 7.00 C 115301 6.00 sf(0) = scattering factor at diffraction angle 0. Number of disulfides: simple=0, symmetry=0 Automatic linking Parameters for automatic linking Linking & cutoffs Metal : Auto - 3.50 Amino acid : False - 1.90 Carbohydrate : True - 1.99 Ligands : True - 1.99 Small molecules : False - 1.98 Amino acid - RNA/DNA : False Number of custom bonds: simple=0, symmetry=0 Time building additional restraints: 72.46 Conformation dependent library (CDL) restraints added in 12.1 seconds Dynamic metal coordination Zn2+ tetrahedral coordination Zn2+ tetrahedral coordination pdb=" ZNLg 201 " pdb="ZN ZNLg 201 " - pdb=" SG CYSLg 49 " pdb=" ZNLj 101 " pdb="ZN ZNLj 101 " - pdb=" SG CYSLj 34 " pdb="ZN ZNLj 101 " - pdb=" SG CYSLj 37 " pdb="ZN ZNLj 101 " - pdb=" SG CYSLj 22 " pdb="ZN ZNLj 101 " - pdb=" SG CYSLj 19 " pdb=" ZNLm 201 " pdb="ZN ZNLm 201 " - pdb=" SG CYSLm 110 " pdb="ZN ZNLm 201 " - pdb=" SG CYSLm 115 " pdb="ZN ZNLm 201 " - pdb=" SG CYSLm 99 " pdb="ZN ZNLm 201 " - pdb=" SG CYSLm 96 " pdb=" ZNLo 201 " pdb="ZN ZNLo 201 " - pdb=" SG CYSLo 12 " pdb=" ZNLp 101 " pdb="ZN ZNLp 101 " - pdb=" SG CYSLp 39 " pdb="ZN ZNLp 101 " - pdb=" SG CYSLp 42 " pdb="ZN ZNLp 101 " - pdb=" SG CYSLp 57 " pdb="ZN ZNLp 101 " - pdb=" SG CYSLp 60 " pdb=" ZNSa 201 " pdb="ZN ZNSa 201 " - pdb=" SG CYSSa 74 " pdb="ZN ZNSa 201 " - pdb=" SG CYSSa 23 " pdb="ZN ZNSa 201 " - pdb=" SG CYSSa 26 " pdb="ZN ZNSa 201 " - pdb=" SG CYSSa 77 " pdb=" ZNSd 101 " pdb="ZN ZNSd 101 " - pdb=" SG CYSSd 24 " pdb="ZN ZNSd 101 " - pdb=" SG CYSSd 21 " pdb="ZN ZNSd 101 " - pdb=" SG CYSSd 42 " pdb=" ZNSf 200 " pdb="ZN ZNSf 200 " - pdb=" SG CYSSf 144 " pdb="ZN ZNSf 200 " - pdb=" SG CYSSf 141 " pdb="ZN ZNSf 200 " - pdb=" SG CYSSf 121 " pdb="ZN ZNSf 200 " - pdb=" SG CYSSf 126 " Number of angles added : 30 23122 Ramachandran restraints generated. 11561 Oldfield, 0 Emsley, 11561 emsley8k and 0 Phi/Psi/2. Adding C-beta torsion restraints... Number of C-beta restraints generated: 21826 Finding SS restraints... Warning!!! ksdssp method is not applicable forstructures with more than 99999 atoms! Switching to from_ca. running find_ss_from_ca liberal... Secondary structure from input PDB file: 382 helices and 116 sheets defined 40.0% alpha, 14.9% beta 1409 base pairs and 3104 stacking pairs defined. Time for finding SS restraints: 84.59 Creating SS restraints... Processing helix chain 'LA' and resid 5 through 13 removed outlier: 6.353A pdb=" N LYSLA 10 " --> pdb=" O ARGLA 6 " (cutoff:3.500A) removed outlier: 5.139A pdb=" N GLYLA 11 " --> pdb=" O GLYLA 7 " (cutoff:3.500A) removed outlier: 4.840A pdb=" N ALALA 12 " --> pdb=" O GLNLA 8 " (cutoff:3.500A) removed outlier: 4.285A pdb=" N GLYLA 13 " --> pdb=" O ARGLA 9 " (cutoff:3.500A) Processing helix chain 'LA' and resid 33 through 39 removed outlier: 3.815A pdb=" N GLYLA 39 " --> pdb=" O ALALA 35 " (cutoff:3.500A) Processing helix chain 'LA' and resid 103 through 108 removed outlier: 4.424A pdb=" N METLA 107 " --> pdb=" O PROLA 103 " (cutoff:3.500A) Proline residue: LA 108 - end of helix No H-bonds generated for 'chain 'LA' and resid 103 through 108' Processing helix chain 'LA' and resid 181 through 193 removed outlier: 3.693A pdb=" N ALALA 191 " --> pdb=" O HISLA 187 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N LYSLA 192 " --> pdb=" O LYSLA 188 " (cutoff:3.500A) Processing helix chain 'LA' and resid 200 through 205 removed outlier: 3.971A pdb=" N METLA 204 " --> pdb=" O ARGLA 200 " (cutoff:3.500A) removed outlier: 5.182A pdb=" N ASNLA 205 " --> pdb=" O GLYLA 201 " (cutoff:3.500A) No H-bonds generated for 'chain 'LA' and resid 200 through 205' Processing helix chain 'LA' and resid 173 through 178 removed outlier: 3.640A pdb=" N LYSLA 177 " --> pdb=" O ARGLA 174 " (cutoff:3.500A) Proline residue: LA 178 - end of helix Processing helix chain 'LB' and resid 13 through 18 removed outlier: 5.204A pdb=" N LEULB 17 " --> pdb=" O SERLB 13 " (cutoff:3.500A) Proline residue: LB 18 - end of helix No H-bonds generated for 'chain 'LB' and resid 13 through 18' Processing helix chain 'LB' and resid 111 through 120 removed outlier: 4.262A pdb=" N ARGLB 117 " --> pdb=" O GLULB 113 " (cutoff:3.500A) removed outlier: 4.339A pdb=" N PHELB 118 " --> pdb=" O CYSLB 114 " (cutoff:3.500A) removed outlier: 4.260A pdb=" N TYRLB 119 " --> pdb=" O LYSLB 115 " (cutoff:3.500A) removed outlier: 5.436A pdb=" N LYSLB 120 " --> pdb=" O ARGLB 116 " (cutoff:3.500A) Processing helix chain 'LB' and resid 130 through 140 removed outlier: 4.771A pdb=" N LYSLB 135 " --> pdb=" O THRLB 131 " (cutoff:3.500A) removed outlier: 4.409A pdb=" N LYSLB 136 " --> pdb=" O LYSLB 132 " (cutoff:3.500A) removed outlier: 4.445A pdb=" N TRPLB 137 " --> pdb=" O TYRLB 133 " (cutoff:3.500A) removed outlier: 4.319A pdb=" N GLNLB 138 " --> pdb=" O CYSLB 134 " (cutoff:3.500A) removed outlier: 3.990A pdb=" N ASPLB 139 " --> pdb=" O LYSLB 135 " (cutoff:3.500A) removed outlier: 6.463A pdb=" N GLULB 140 " --> pdb=" O LYSLB 136 " (cutoff:3.500A) Processing helix chain 'LB' and resid 141 through 157 removed outlier: 5.549A pdb=" N GLNLB 145 " --> pdb=" O ASPLB 141 " (cutoff:3.500A) removed outlier: 4.093A pdb=" N LEULB 146 " --> pdb=" O GLYLB 142 " (cutoff:3.500A) removed outlier: 3.583A pdb=" N GLULB 147 " --> pdb=" O LYSLB 143 " (cutoff:3.500A) removed outlier: 3.869A pdb=" N SERLB 151 " --> pdb=" O GLULB 147 " (cutoff:3.500A) removed outlier: 4.525A pdb=" N LYSLB 154 " --> pdb=" O PHELB 150 " (cutoff:3.500A) removed outlier: 3.643A pdb=" N CYSLB 157 " --> pdb=" O METLB 153 " (cutoff:3.500A) Processing helix chain 'LB' and resid 167 through 172 removed outlier: 4.596A pdb=" N LEULB 171 " --> pdb=" O GLNLB 167 " (cutoff:3.500A) Proline residue: LB 172 - end of helix No H-bonds generated for 'chain 'LB' and resid 167 through 172' Processing helix chain 'LB' and resid 189 through 201 removed outlier: 3.729A pdb=" N ASPLB 195 " --> pdb=" O ALALB 191 " (cutoff:3.500A) removed outlier: 3.693A pdb=" N ARGLB 198 " --> pdb=" O LEULB 194 " (cutoff:3.500A) removed outlier: 3.502A pdb=" N GLULB 199 " --> pdb=" O ASPLB 195 " (cutoff:3.500A) removed outlier: 4.260A pdb=" N LEULB 201 " --> pdb=" O ALALB 197 " (cutoff:3.500A) Processing helix chain 'LB' and resid 206 through 211 removed outlier: 3.644A pdb=" N VALLB 210 " --> pdb=" O PROLB 206 " (cutoff:3.500A) Processing helix chain 'LB' and resid 230 through 235 Processing helix chain 'LB' and resid 356 through 361 removed outlier: 4.632A pdb=" N LEULB 360 " --> pdb=" O LYSLB 356 " (cutoff:3.500A) removed outlier: 4.563A pdb=" N GLULB 361 " --> pdb=" O ARGLB 357 " (cutoff:3.500A) No H-bonds generated for 'chain 'LB' and resid 356 through 361' Processing helix chain 'LB' and resid 381 through 390 removed outlier: 3.762A pdb=" N LYSLB 385 " --> pdb=" O THRLB 381 " (cutoff:3.500A) removed outlier: 3.531A pdb=" N GLYLB 390 " --> pdb=" O LYSLB 386 " (cutoff:3.500A) Processing helix chain 'LB' and resid 392 through 402 removed outlier: 4.742A pdb=" N ALALB 398 " --> pdb=" O LYSLB 394 " (cutoff:3.500A) removed outlier: 3.860A pdb=" N GLULB 400 " --> pdb=" O ARGLB 396 " (cutoff:3.500A) Processing helix chain 'LC' and resid 25 through 30 removed outlier: 4.679A pdb=" N LYSLC 29 " --> pdb=" O PROLC 25 " (cutoff:3.500A) removed outlier: 3.747A pdb=" N ALALC 30 " --> pdb=" O ALALC 26 " (cutoff:3.500A) No H-bonds generated for 'chain 'LC' and resid 25 through 30' Processing helix chain 'LC' and resid 33 through 49 removed outlier: 3.956A pdb=" N LYSLC 46 " --> pdb=" O THRLC 42 " (cutoff:3.500A) removed outlier: 4.244A pdb=" N ASNLC 47 " --> pdb=" O ASNLC 43 " (cutoff:3.500A) removed outlier: 4.705A pdb=" N ASNLC 48 " --> pdb=" O LEULC 44 " (cutoff:3.500A) removed outlier: 4.987A pdb=" N ARGLC 49 " --> pdb=" O ARGLC 45 " (cutoff:3.500A) Processing helix chain 'LC' and resid 116 through 134 removed outlier: 3.881A pdb=" N ALALC 130 " --> pdb=" O SERLC 126 " (cutoff:3.500A) removed outlier: 3.697A pdb=" N ALALC 132 " --> pdb=" O LEULC 128 " (cutoff:3.500A) removed outlier: 4.364A pdb=" N LEULC 133 " --> pdb=" O ALALC 129 " (cutoff:3.500A) Proline residue: LC 134 - end of helix Processing helix chain 'LC' and resid 135 through 141 removed outlier: 3.749A pdb=" N SERLC 139 " --> pdb=" O ALALC 135 " (cutoff:3.500A) removed outlier: 3.506A pdb=" N GLYLC 141 " --> pdb=" O VALLC 137 " (cutoff:3.500A) Processing helix chain 'LC' and resid 155 through 161 removed outlier: 4.771A pdb=" N GLULC 159 " --> pdb=" O GLULC 155 " (cutoff:3.500A) removed outlier: 4.116A pdb=" N GLYLC 160 " --> pdb=" O ASPLC 156 " (cutoff:3.500A) removed outlier: 3.995A pdb=" N TYRLC 161 " --> pdb=" O LYSLC 157 " (cutoff:3.500A) No H-bonds generated for 'chain 'LC' and resid 155 through 161' Processing helix chain 'LC' and resid 163 through 175 removed outlier: 3.798A pdb=" N LEULC 171 " --> pdb=" O ALALC 167 " (cutoff:3.500A) removed outlier: 3.917A pdb=" N LYSLC 175 " --> pdb=" O LEULC 171 " (cutoff:3.500A) Processing helix chain 'LC' and resid 176 through 187 removed outlier: 3.980A pdb=" N ILELC 180 " --> pdb=" O ALALC 176 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N GLNLC 187 " --> pdb=" O VALLC 183 " (cutoff:3.500A) Processing helix chain 'LC' and resid 192 through 198 removed outlier: 4.687A pdb=" N METLC 196 " --> pdb=" O GLYLC 192 " (cutoff:3.500A) removed outlier: 3.629A pdb=" N ARGLC 197 " --> pdb=" O LYSLC 193 " (cutoff:3.500A) removed outlier: 3.758A pdb=" N ASNLC 198 " --> pdb=" O GLYLC 194 " (cutoff:3.500A) No H-bonds generated for 'chain 'LC' and resid 192 through 198' Processing helix chain 'LC' and resid 216 through 222 removed outlier: 3.647A pdb=" N ARGLC 222 " --> pdb=" O ILELC 218 " (cutoff:3.500A) Processing helix chain 'LC' and resid 236 through 242 Proline residue: LC 242 - end of helix Processing helix chain 'LC' and resid 253 through 264 removed outlier: 3.507A pdb=" N LEULC 260 " --> pdb=" O ALALC 256 " (cutoff:3.500A) removed outlier: 4.865A pdb=" N ASPLC 261 " --> pdb=" O PHELC 257 " (cutoff:3.500A) removed outlier: 4.636A pdb=" N GLULC 262 " --> pdb=" O ARGLC 258 " (cutoff:3.500A) Processing helix chain 'LC' and resid 288 through 295 removed outlier: 4.358A pdb=" N LYSLC 294 " --> pdb=" O SERLC 290 " (cutoff:3.500A) removed outlier: 3.811A pdb=" N SERLC 295 " --> pdb=" O ARGLC 291 " (cutoff:3.500A) Processing helix chain 'LC' and resid 296 through 303 removed outlier: 3.655A pdb=" N ARGLC 300 " --> pdb=" O PROLC 296 " (cutoff:3.500A) removed outlier: 4.389A pdb=" N ALALC 301 " --> pdb=" O GLULC 297 " (cutoff:3.500A) removed outlier: 5.928A pdb=" N ARGLC 303 " --> pdb=" O GLNLC 299 " (cutoff:3.500A) Processing helix chain 'LC' and resid 321 through 329 removed outlier: 3.612A pdb=" N LYSLC 327 " --> pdb=" O ARGLC 323 " (cutoff:3.500A) Processing helix chain 'LC' and resid 331 through 366 removed outlier: 3.698A pdb=" N ASPLC 352 " --> pdb=" O LYSLC 348 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N LYSLC 353 " --> pdb=" O LEULC 349 " (cutoff:3.500A) removed outlier: 3.509A pdb=" N ALALC 355 " --> pdb=" O VALLC 351 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ALALC 357 " --> pdb=" O LYSLC 353 " (cutoff:3.500A) removed outlier: 4.704A pdb=" N ALALC 359 " --> pdb=" O ALALC 355 " (cutoff:3.500A) removed outlier: 4.562A pdb=" N ALALC 360 " --> pdb=" O ALALC 356 " (cutoff:3.500A) removed outlier: 3.606A pdb=" N ALALC 363 " --> pdb=" O ALALC 359 " (cutoff:3.500A) removed outlier: 4.187A pdb=" N SERLC 365 " --> pdb=" O LEULC 361 " (cutoff:3.500A) removed outlier: 4.716A pdb=" N ASPLC 366 " --> pdb=" O GLNLC 362 " (cutoff:3.500A) Processing helix chain 'LD' and resid 9 through 16 removed outlier: 3.869A pdb=" N PHELD 13 " --> pdb=" O ASNLD 9 " (cutoff:3.500A) removed outlier: 4.164A pdb=" N ARGLD 15 " --> pdb=" O ALALD 11 " (cutoff:3.500A) Processing helix chain 'LD' and resid 20 through 26 removed outlier: 3.657A pdb=" N GLYLD 26 " --> pdb=" O ARGLD 22 " (cutoff:3.500A) Processing helix chain 'LD' and resid 29 through 37 removed outlier: 3.955A pdb=" N ARGLD 35 " --> pdb=" O TYRLD 31 " (cutoff:3.500A) Processing helix chain 'LD' and resid 79 through 84 removed outlier: 4.519A pdb=" N LEULD 83 " --> pdb=" O TYRLD 79 " (cutoff:3.500A) Proline residue: LD 84 - end of helix No H-bonds generated for 'chain 'LD' and resid 79 through 84' Processing helix chain 'LD' and resid 94 through 114 removed outlier: 3.596A pdb=" N ASNLD 111 " --> pdb=" O ARGLD 107 " (cutoff:3.500A) removed outlier: 3.805A pdb=" N ARGLD 112 " --> pdb=" O ARGLD 108 " (cutoff:3.500A) removed outlier: 3.624A pdb=" N PHELD 113 " --> pdb=" O LEULD 109 " (cutoff:3.500A) Processing helix chain 'LD' and resid 115 through 120 removed outlier: 5.009A pdb=" N TYRLD 119 " --> pdb=" O METLD 115 " (cutoff:3.500A) removed outlier: 4.979A pdb=" N GLULD 120 " --> pdb=" O ASPLD 116 " (cutoff:3.500A) No H-bonds generated for 'chain 'LD' and resid 115 through 120' Processing helix chain 'LD' and resid 157 through 170 removed outlier: 3.758A pdb=" N GLYLD 161 " --> pdb=" O ASNLD 157 " (cutoff:3.500A) removed outlier: 3.788A pdb=" N ALALD 162 " --> pdb=" O LYSLD 158 " (cutoff:3.500A) Processing helix chain 'LD' and resid 191 through 201 removed outlier: 6.361A pdb=" N HISLD 195 " --> pdb=" O ASNLD 191 " (cutoff:3.500A) removed outlier: 4.348A pdb=" N ARGLD 196 " --> pdb=" O ALALD 192 " (cutoff:3.500A) removed outlier: 3.558A pdb=" N LYSLD 197 " --> pdb=" O GLULD 193 " (cutoff:3.500A) removed outlier: 3.796A pdb=" N HISLD 198 " --> pdb=" O VALLD 194 " (cutoff:3.500A) removed outlier: 3.565A pdb=" N METLD 200 " --> pdb=" O ARGLD 196 " (cutoff:3.500A) removed outlier: 3.601A pdb=" N GLYLD 201 " --> pdb=" O LYSLD 197 " (cutoff:3.500A) Processing helix chain 'LD' and resid 202 through 215 removed outlier: 4.129A pdb=" N METLD 212 " --> pdb=" O METLD 208 " (cutoff:3.500A) removed outlier: 4.641A pdb=" N GLULD 213 " --> pdb=" O ARGLD 209 " (cutoff:3.500A) removed outlier: 4.352A pdb=" N GLULD 214 " --> pdb=" O TYRLD 210 " (cutoff:3.500A) removed outlier: 3.806A pdb=" N ASPLD 215 " --> pdb=" O LEULD 211 " (cutoff:3.500A) Processing helix chain 'LD' and resid 216 through 224 removed outlier: 3.539A pdb=" N LYSLD 220 " --> pdb=" O GLULD 216 " (cutoff:3.500A) removed outlier: 3.680A pdb=" N SERLD 224 " --> pdb=" O LYSLD 220 " (cutoff:3.500A) Processing helix chain 'LD' and resid 225 through 230 removed outlier: 4.732A pdb=" N ASNLD 229 " --> pdb=" O GLNLD 225 " (cutoff:3.500A) removed outlier: 4.198A pdb=" N SERLD 230 " --> pdb=" O TYRLD 226 " (cutoff:3.500A) No H-bonds generated for 'chain 'LD' and resid 225 through 230' Processing helix chain 'LD' and resid 235 through 250 removed outlier: 3.829A pdb=" N ALALD 245 " --> pdb=" O LYSLD 241 " (cutoff:3.500A) removed outlier: 3.751A pdb=" N ALALD 246 " --> pdb=" O LYSLD 242 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N ARGLD 248 " --> pdb=" O HISLD 244 " (cutoff:3.500A) Processing helix chain 'LD' and resid 272 through 293 removed outlier: 3.589A pdb=" N ASPLD 278 " --> pdb=" O ALALD 274 " (cutoff:3.500A) removed outlier: 3.973A pdb=" N VALLD 280 " --> pdb=" O LYSLD 276 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N ALALD 281 " --> pdb=" O LYSLD 277 " (cutoff:3.500A) removed outlier: 3.565A pdb=" N LYSLD 284 " --> pdb=" O VALLD 280 " (cutoff:3.500A) removed outlier: 3.546A pdb=" N PHELD 287 " --> pdb=" O LYSLD 283 " (cutoff:3.500A) removed outlier: 3.771A pdb=" N ARGLD 289 " --> pdb=" O ALALD 285 " (cutoff:3.500A) removed outlier: 4.231A pdb=" N ALALD 290 " --> pdb=" O SERLD 286 " (cutoff:3.500A) removed outlier: 3.805A pdb=" N GLULD 292 " --> pdb=" O LEULD 288 " (cutoff:3.500A) removed outlier: 4.884A pdb=" N ARGLD 293 " --> pdb=" O ARGLD 289 " (cutoff:3.500A) Processing helix chain 'LE' and resid 58 through 67 removed outlier: 3.680A pdb=" N SERLE 64 " --> pdb=" O SERLE 60 " (cutoff:3.500A) removed outlier: 3.540A pdb=" N ARGLE 65 " --> pdb=" O ALALE 61 " (cutoff:3.500A) Processing helix chain 'LE' and resid 190 through 195 removed outlier: 4.022A pdb=" N VALLE 194 " --> pdb=" O HISLE 190 " (cutoff:3.500A) removed outlier: 5.797A pdb=" N ILELE 195 " --> pdb=" O GLNLE 191 " (cutoff:3.500A) No H-bonds generated for 'chain 'LE' and resid 190 through 195' Processing helix chain 'LE' and resid 213 through 218 removed outlier: 3.854A pdb=" N PHELE 217 " --> pdb=" O THRLE 213 " (cutoff:3.500A) Processing helix chain 'LE' and resid 236 through 241 removed outlier: 7.316A pdb=" N TYRLE 240 " --> pdb=" O GLULE 236 " (cutoff:3.500A) removed outlier: 6.230A pdb=" N GLULE 241 " --> pdb=" O LYSLE 237 " (cutoff:3.500A) No H-bonds generated for 'chain 'LE' and resid 236 through 241' Processing helix chain 'LE' and resid 243 through 262 removed outlier: 3.655A pdb=" N LYSLE 247 " --> pdb=" O THRLE 243 " (cutoff:3.500A) removed outlier: 3.697A pdb=" N GLNLE 250 " --> pdb=" O ARGLE 246 " (cutoff:3.500A) removed outlier: 4.377A pdb=" N GLNLE 256 " --> pdb=" O ALALE 252 " (cutoff:3.500A) removed outlier: 3.520A pdb=" N LEULE 258 " --> pdb=" O ASPLE 254 " (cutoff:3.500A) Proline residue: LE 259 - end of helix Processing helix chain 'LE' and resid 266 through 274 removed outlier: 3.627A pdb=" N TYRLE 270 " --> pdb=" O GLNLE 266 " (cutoff:3.500A) removed outlier: 5.556A pdb=" N VALLE 274 " --> pdb=" O TYRLE 270 " (cutoff:3.500A) Processing helix chain 'LF' and resid 25 through 79 removed outlier: 5.021A pdb=" N LYSLF 29 " --> pdb=" O PHELF 25 " (cutoff:3.500A) removed outlier: 4.667A pdb=" N ILELF 30 " --> pdb=" O ALALF 26 " (cutoff:3.500A) removed outlier: 3.928A pdb=" N ARGLF 34 " --> pdb=" O ILELF 30 " (cutoff:3.500A) removed outlier: 3.562A pdb=" N LYSLF 36 " --> pdb=" O ARGLF 32 " (cutoff:3.500A) removed outlier: 4.500A pdb=" N PHELF 37 " --> pdb=" O LEULF 33 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLNLF 39 " --> pdb=" O LYSLF 35 " (cutoff:3.500A) removed outlier: 3.657A pdb=" N LYSLF 40 " --> pdb=" O LYSLF 36 " (cutoff:3.500A) removed outlier: 3.639A pdb=" N ARGLF 43 " --> pdb=" O GLNLF 39 " (cutoff:3.500A) removed outlier: 3.597A pdb=" N LYSLF 48 " --> pdb=" O LYSLF 44 " (cutoff:3.500A) removed outlier: 3.962A pdb=" N ILELF 50 " --> pdb=" O ARGLF 46 " (cutoff:3.500A) removed outlier: 3.831A pdb=" N ALALF 54 " --> pdb=" O ILELF 50 " (cutoff:3.500A) removed outlier: 3.755A pdb=" N ARGLF 62 " --> pdb=" O HISLF 58 " (cutoff:3.500A) removed outlier: 3.674A pdb=" N METLF 64 " --> pdb=" O GLULF 60 " (cutoff:3.500A) removed outlier: 3.833A pdb=" N ILELF 69 " --> pdb=" O TYRLF 65 " (cutoff:3.500A) removed outlier: 3.890A pdb=" N ALALF 72 " --> pdb=" O GLULF 68 " (cutoff:3.500A) removed outlier: 3.986A pdb=" N ALALF 78 " --> pdb=" O METLF 74 " (cutoff:3.500A) removed outlier: 3.695A pdb=" N GLYLF 79 " --> pdb=" O ALALF 75 " (cutoff:3.500A) Processing helix chain 'LF' and resid 102 through 113 removed outlier: 3.640A pdb=" N GLNLF 110 " --> pdb=" O ARGLF 106 " (cutoff:3.500A) Processing helix chain 'LF' and resid 126 through 137 removed outlier: 3.505A pdb=" N ASNLF 131 " --> pdb=" O LYSLF 127 " (cutoff:3.500A) removed outlier: 4.265A pdb=" N METLF 132 " --> pdb=" O ALALF 128 " (cutoff:3.500A) removed outlier: 3.838A pdb=" N ILELF 135 " --> pdb=" O ASNLF 131 " (cutoff:3.500A) removed outlier: 3.920A pdb=" N VALLF 136 " --> pdb=" O METLF 132 " (cutoff:3.500A) removed outlier: 4.374A pdb=" N GLULF 137 " --> pdb=" O LEULF 133 " (cutoff:3.500A) Processing helix chain 'LF' and resid 146 through 156 Processing helix chain 'LF' and resid 171 through 179 removed outlier: 3.991A pdb=" N ILELF 175 " --> pdb=" O ASPLF 171 " (cutoff:3.500A) removed outlier: 3.720A pdb=" N ARGLF 177 " --> pdb=" O ALALF 173 " (cutoff:3.500A) removed outlier: 3.706A pdb=" N SERLF 178 " --> pdb=" O LEULF 174 " (cutoff:3.500A) Processing helix chain 'LF' and resid 186 through 197 removed outlier: 3.660A pdb=" N ILELF 191 " --> pdb=" O METLF 187 " (cutoff:3.500A) removed outlier: 4.406A pdb=" N VALLF 197 " --> pdb=" O GLULF 193 " (cutoff:3.500A) Processing helix chain 'LF' and resid 200 through 209 removed outlier: 5.094A pdb=" N TRPLF 209 " --> pdb=" O ASNLF 205 " (cutoff:3.500A) Processing helix chain 'LF' and resid 239 through 248 removed outlier: 4.076A pdb=" N LEULF 243 " --> pdb=" O GLNLF 239 " (cutoff:3.500A) removed outlier: 3.659A pdb=" N ARGLF 246 " --> pdb=" O ARGLF 242 " (cutoff:3.500A) Processing helix chain 'LG' and resid 58 through 74 removed outlier: 3.574A pdb=" N ARGLG 62 " --> pdb=" O PROLG 58 " (cutoff:3.500A) removed outlier: 4.279A pdb=" N LEULG 63 " --> pdb=" O ARGLG 59 " (cutoff:3.500A) removed outlier: 3.654A pdb=" N ALALG 68 " --> pdb=" O GLNLG 64 " (cutoff:3.500A) removed outlier: 4.135A pdb=" N LYSLG 72 " --> pdb=" O ALALG 68 " (cutoff:3.500A) removed outlier: 3.921A pdb=" N LEULG 74 " --> pdb=" O LEULG 70 " (cutoff:3.500A) Processing helix chain 'LG' and resid 77 through 86 removed outlier: 6.112A pdb=" N PHELG 83 " --> pdb=" O ALALG 79 " (cutoff:3.500A) removed outlier: 4.636A pdb=" N THRLG 84 " --> pdb=" O ILELG 80 " (cutoff:3.500A) removed outlier: 3.981A pdb=" N GLNLG 85 " --> pdb=" O ASNLG 81 " (cutoff:3.500A) removed outlier: 5.189A pdb=" N ALALG 86 " --> pdb=" O GLNLG 82 " (cutoff:3.500A) Processing helix chain 'LG' and resid 88 through 103 removed outlier: 3.646A pdb=" N HISLG 100 " --> pdb=" O LEULG 96 " (cutoff:3.500A) removed outlier: 5.115A pdb=" N LYSLG 101 " --> pdb=" O LYSLG 97 " (cutoff:3.500A) removed outlier: 4.593A pdb=" N TYRLG 102 " --> pdb=" O LEULG 98 " (cutoff:3.500A) removed outlier: 4.921A pdb=" N ARGLG 103 " --> pdb=" O ALALG 99 " (cutoff:3.500A) Processing helix chain 'LG' and resid 106 through 124 removed outlier: 4.059A pdb=" N GLNLG 112 " --> pdb=" O GLNLG 108 " (cutoff:3.500A) removed outlier: 3.876A pdb=" N ALALG 116 " --> pdb=" O GLNLG 112 " (cutoff:3.500A) removed outlier: 3.703A pdb=" N ALALG 118 " --> pdb=" O LEULG 114 " (cutoff:3.500A) removed outlier: 4.379A pdb=" N GLULG 119 " --> pdb=" O LEULG 115 " (cutoff:3.500A) removed outlier: 4.037A pdb=" N LYSLG 121 " --> pdb=" O ARGLG 117 " (cutoff:3.500A) removed outlier: 5.069A pdb=" N ALALG 122 " --> pdb=" O ALALG 118 " (cutoff:3.500A) removed outlier: 3.793A pdb=" N ALALG 123 " --> pdb=" O GLULG 119 " (cutoff:3.500A) removed outlier: 4.401A pdb=" N GLYLG 124 " --> pdb=" O LYSLG 120 " (cutoff:3.500A) Processing helix chain 'LG' and resid 139 through 150 removed outlier: 4.028A pdb=" N THRLG 145 " --> pdb=" O ASNLG 141 " (cutoff:3.500A) removed outlier: 3.669A pdb=" N ASNLG 149 " --> pdb=" O THRLG 145 " (cutoff:3.500A) Processing helix chain 'LG' and resid 164 through 178 removed outlier: 5.568A pdb=" N VALLG 168 " --> pdb=" O ILELG 164 " (cutoff:3.500A) removed outlier: 5.500A pdb=" N PHELG 169 " --> pdb=" O GLULG 165 " (cutoff:3.500A) removed outlier: 5.817A pdb=" N LEULG 170 " --> pdb=" O LEULG 166 " (cutoff:3.500A) Proline residue: LG 171 - end of helix Processing helix chain 'LG' and resid 186 through 195 removed outlier: 4.097A pdb=" N LEULG 190 " --> pdb=" O GLYLG 186 " (cutoff:3.500A) removed outlier: 4.028A pdb=" N LEULG 193 " --> pdb=" O ARGLG 189 " (cutoff:3.500A) removed outlier: 3.651A pdb=" N VALLG 194 " --> pdb=" O LEULG 190 " (cutoff:3.500A) Processing helix chain 'LG' and resid 211 through 226 removed outlier: 3.925A pdb=" N LEULG 215 " --> pdb=" O ASPLG 211 " (cutoff:3.500A) removed outlier: 3.681A pdb=" N LEULG 218 " --> pdb=" O ALALG 214 " (cutoff:3.500A) removed outlier: 6.054A pdb=" N GLULG 220 " --> pdb=" O ALALG 216 " (cutoff:3.500A) removed outlier: 3.939A pdb=" N ALALG 221 " --> pdb=" O LYSLG 217 " (cutoff:3.500A) removed outlier: 4.256A pdb=" N THRLG 224 " --> pdb=" O GLULG 220 " (cutoff:3.500A) removed outlier: 4.416A pdb=" N ASNLG 225 " --> pdb=" O ALALG 221 " (cutoff:3.500A) Processing helix chain 'LG' and resid 229 through 237 removed outlier: 4.316A pdb=" N ILELG 233 " --> pdb=" O ARGLG 229 " (cutoff:3.500A) removed outlier: 4.088A pdb=" N ARGLG 235 " --> pdb=" O ASPLG 231 " (cutoff:3.500A) removed outlier: 5.011A pdb=" N TRPLG 237 " --> pdb=" O ILELG 233 " (cutoff:3.500A) Processing helix chain 'LG' and resid 243 through 266 removed outlier: 3.516A pdb=" N ALALG 248 " --> pdb=" O PROLG 244 " (cutoff:3.500A) removed outlier: 3.729A pdb=" N ALALG 251 " --> pdb=" O VALLG 247 " (cutoff:3.500A) removed outlier: 3.899A pdb=" N LYSLG 252 " --> pdb=" O ALALG 248 " (cutoff:3.500A) removed outlier: 3.656A pdb=" N LEULG 253 " --> pdb=" O ARGLG 249 " (cutoff:3.500A) removed outlier: 4.309A pdb=" N GLULG 254 " --> pdb=" O ILELG 250 " (cutoff:3.500A) removed outlier: 3.623A pdb=" N LYSLG 259 " --> pdb=" O LYSLG 255 " (cutoff:3.500A) removed outlier: 4.562A pdb=" N GLULG 260 " --> pdb=" O ALALG 256 " (cutoff:3.500A) removed outlier: 5.506A pdb=" N ALALG 262 " --> pdb=" O ALALG 258 " (cutoff:3.500A) removed outlier: 4.655A pdb=" N THRLG 263 " --> pdb=" O LYSLG 259 " (cutoff:3.500A) removed outlier: 4.416A pdb=" N LEULG 265 " --> pdb=" O LEULG 261 " (cutoff:3.500A) removed outlier: 4.982A pdb=" N GLYLG 266 " --> pdb=" O ALALG 262 " (cutoff:3.500A) Processing helix chain 'LH' and resid 63 through 86 removed outlier: 3.616A pdb=" N ALALH 68 " --> pdb=" O ARGLH 64 " (cutoff:3.500A) removed outlier: 4.638A pdb=" N THRLH 69 " --> pdb=" O LYSLH 65 " (cutoff:3.500A) removed outlier: 4.850A pdb=" N VALLH 70 " --> pdb=" O GLULH 66 " (cutoff:3.500A) removed outlier: 5.075A pdb=" N ARGLH 71 " --> pdb=" O LEULH 67 " (cutoff:3.500A) removed outlier: 4.090A pdb=" N THRLH 72 " --> pdb=" O ALALH 68 " (cutoff:3.500A) removed outlier: 3.676A pdb=" N ILELH 73 " --> pdb=" O THRLH 69 " (cutoff:3.500A) removed outlier: 3.526A pdb=" N CYSLH 74 " --> pdb=" O VALLH 70 " (cutoff:3.500A) removed outlier: 3.625A pdb=" N VALLH 84 " --> pdb=" O METLH 80 " (cutoff:3.500A) Processing helix chain 'LH' and resid 150 through 166 removed outlier: 3.914A pdb=" N ASNLH 156 " --> pdb=" O GLULH 152 " (cutoff:3.500A) removed outlier: 4.271A pdb=" N THRLH 165 " --> pdb=" O ILELH 161 " (cutoff:3.500A) removed outlier: 4.357A pdb=" N THRLH 166 " --> pdb=" O GLNLH 162 " (cutoff:3.500A) Processing helix chain 'LH' and resid 171 through 176 removed outlier: 4.243A pdb=" N PHELH 175 " --> pdb=" O ASPLH 171 " (cutoff:3.500A) removed outlier: 5.484A pdb=" N LEULH 176 " --> pdb=" O ILELH 172 " (cutoff:3.500A) No H-bonds generated for 'chain 'LH' and resid 171 through 176' Processing helix chain 'LI' and resid 5 through 10 removed outlier: 4.382A pdb=" N TYRLI 9 " --> pdb=" O PROLI 5 " (cutoff:3.500A) removed outlier: 3.702A pdb=" N ARGLI 10 " --> pdb=" O ALALI 6 " (cutoff:3.500A) No H-bonds generated for 'chain 'LI' and resid 5 through 10' Processing helix chain 'LI' and resid 42 through 47 removed outlier: 6.517A pdb=" N PHELI 46 " --> pdb=" O LYSLI 42 " (cutoff:3.500A) Proline residue: LI 47 - end of helix No H-bonds generated for 'chain 'LI' and resid 42 through 47' Processing helix chain 'LI' and resid 61 through 80 removed outlier: 3.772A pdb=" N METLI 76 " --> pdb=" O ALALI 72 " (cutoff:3.500A) Processing helix chain 'LI' and resid 144 through 160 removed outlier: 3.939A pdb=" N GLULI 150 " --> pdb=" O GLULI 146 " (cutoff:3.500A) removed outlier: 4.302A pdb=" N PHELI 157 " --> pdb=" O ARGLI 153 " (cutoff:3.500A) removed outlier: 4.682A pdb=" N LYSLI 158 " --> pdb=" O ARGLI 154 " (cutoff:3.500A) removed outlier: 4.569A pdb=" N PHELI 159 " --> pdb=" O ALALI 155 " (cutoff:3.500A) Proline residue: LI 160 - end of helix Processing helix chain 'LI' and resid 180 through 188 Processing helix chain 'LI' and resid 205 through 214 removed outlier: 3.655A pdb=" N TRPLI 209 " --> pdb=" O PROLI 205 " (cutoff:3.500A) removed outlier: 3.501A pdb=" N VALLI 211 " --> pdb=" O ASPLI 207 " (cutoff:3.500A) removed outlier: 4.069A pdb=" N LEULI 212 " --> pdb=" O LYSLI 208 " (cutoff:3.500A) removed outlier: 4.440A pdb=" N HISLI 213 " --> pdb=" O TRPLI 209 " (cutoff:3.500A) removed outlier: 4.719A pdb=" N SERLI 214 " --> pdb=" O ARGLI 210 " (cutoff:3.500A) Processing helix chain 'LJ' and resid 3 through 8 removed outlier: 5.104A pdb=" N LYSLJ 8 " --> pdb=" O ASPLJ 4 " (cutoff:3.500A) Processing helix chain 'LJ' and resid 30 through 44 removed outlier: 3.984A pdb=" N ALALJ 36 " --> pdb=" O ARGLJ 32 " (cutoff:3.500A) removed outlier: 3.813A pdb=" N VALLJ 39 " --> pdb=" O ARGLJ 35 " (cutoff:3.500A) removed outlier: 4.246A pdb=" N LEULJ 40 " --> pdb=" O ALALJ 36 " (cutoff:3.500A) removed outlier: 4.363A pdb=" N GLULJ 41 " --> pdb=" O ALALJ 37 " (cutoff:3.500A) removed outlier: 5.088A pdb=" N GLNLJ 42 " --> pdb=" O LYSLJ 38 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N LEULJ 43 " --> pdb=" O VALLJ 39 " (cutoff:3.500A) removed outlier: 3.758A pdb=" N THRLJ 44 " --> pdb=" O LEULJ 40 " (cutoff:3.500A) Processing helix chain 'LJ' and resid 76 through 91 removed outlier: 4.336A pdb=" N GLULJ 80 " --> pdb=" O GLYLJ 76 " (cutoff:3.500A) removed outlier: 4.546A pdb=" N GLULJ 81 " --> pdb=" O ALALJ 77 " (cutoff:3.500A) removed outlier: 3.599A pdb=" N ILELJ 82 " --> pdb=" O LYSLJ 78 " (cutoff:3.500A) removed outlier: 3.793A pdb=" N LYSLJ 85 " --> pdb=" O GLULJ 81 " (cutoff:3.500A) removed outlier: 3.525A pdb=" N GLYLJ 86 " --> pdb=" O ILELJ 82 " (cutoff:3.500A) removed outlier: 4.786A pdb=" N VALLJ 89 " --> pdb=" O LYSLJ 85 " (cutoff:3.500A) Processing helix chain 'LJ' and resid 158 through 170 removed outlier: 3.970A pdb=" N METLJ 163 " --> pdb=" O LYSLJ 159 " (cutoff:3.500A) removed outlier: 3.809A pdb=" N ARGLJ 164 " --> pdb=" O GLULJ 160 " (cutoff:3.500A) removed outlier: 3.647A pdb=" N TRPLJ 165 " --> pdb=" O GLULJ 161 " (cutoff:3.500A) removed outlier: 4.927A pdb=" N GLNLJ 168 " --> pdb=" O ARGLJ 164 " (cutoff:3.500A) Processing helix chain 'LJ' and resid 138 through 143 removed outlier: 3.718A pdb=" N ILELJ 141 " --> pdb=" O GLYLJ 138 " (cutoff:3.500A) removed outlier: 4.254A pdb=" N ASPLJ 143 " --> pdb=" O SERLJ 140 " (cutoff:3.500A) Processing helix chain 'LL' and resid 17 through 22 removed outlier: 4.589A pdb=" N ARGLL 21 " --> pdb=" O ASPLL 17 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N VALLL 22 " --> pdb=" O TRPLL 18 " (cutoff:3.500A) No H-bonds generated for 'chain 'LL' and resid 17 through 22' Processing helix chain 'LL' and resid 27 through 47 removed outlier: 4.390A pdb=" N ALALL 47 " --> pdb=" O ALALL 43 " (cutoff:3.500A) Processing helix chain 'LL' and resid 77 through 85 removed outlier: 3.629A pdb=" N ARGLL 82 " --> pdb=" O LEULL 78 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N VALLL 83 " --> pdb=" O GLULL 79 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N ALALL 84 " --> pdb=" O GLULL 80 " (cutoff:3.500A) Processing helix chain 'LL' and resid 87 through 95 removed outlier: 3.806A pdb=" N ALALL 91 " --> pdb=" O HISLL 87 " (cutoff:3.500A) removed outlier: 4.778A pdb=" N ARGLL 92 " --> pdb=" O LYSLL 88 " (cutoff:3.500A) removed outlier: 4.647A pdb=" N THRLL 93 " --> pdb=" O LYSLL 89 " (cutoff:3.500A) Processing helix chain 'LL' and resid 106 through 124 removed outlier: 3.832A pdb=" N LEULL 110 " --> pdb=" O SERLL 106 " (cutoff:3.500A) removed outlier: 3.516A pdb=" N ALALL 112 " --> pdb=" O GLULL 108 " (cutoff:3.500A) Processing helix chain 'LL' and resid 139 through 145 removed outlier: 3.783A pdb=" N LEULL 144 " --> pdb=" O SERLL 140 " (cutoff:3.500A) removed outlier: 3.899A pdb=" N LYSLL 145 " --> pdb=" O ALALL 141 " (cutoff:3.500A) Processing helix chain 'LL' and resid 170 through 176 removed outlier: 4.251A pdb=" N PHELL 176 " --> pdb=" O GLULL 172 " (cutoff:3.500A) Processing helix chain 'LL' and resid 177 through 192 removed outlier: 3.526A pdb=" N LEULL 182 " --> pdb=" O ALALL 178 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N ALALL 185 " --> pdb=" O SERLL 181 " (cutoff:3.500A) removed outlier: 3.847A pdb=" N ALALL 189 " --> pdb=" O ALALL 185 " (cutoff:3.500A) removed outlier: 3.648A pdb=" N ARGLL 190 " --> pdb=" O ARGLL 186 " (cutoff:3.500A) removed outlier: 4.885A pdb=" N LEULL 191 " --> pdb=" O ALALL 187 " (cutoff:3.500A) Processing helix chain 'LL' and resid 193 through 207 removed outlier: 3.642A pdb=" N LYSLL 200 " --> pdb=" O ALALL 196 " (cutoff:3.500A) removed outlier: 3.803A pdb=" N ALALL 203 " --> pdb=" O ALALL 199 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N GLULL 204 " --> pdb=" O LYSLL 200 " (cutoff:3.500A) removed outlier: 4.859A pdb=" N GLNLL 205 " --> pdb=" O GLULL 201 " (cutoff:3.500A) removed outlier: 4.362A pdb=" N VALLL 207 " --> pdb=" O ALALL 203 " (cutoff:3.500A) Processing helix chain 'LM' and resid 51 through 56 removed outlier: 4.018A pdb=" N METLM 55 " --> pdb=" O PROLM 51 " (cutoff:3.500A) removed outlier: 5.514A pdb=" N GLNLM 56 " --> pdb=" O PHELM 52 " (cutoff:3.500A) No H-bonds generated for 'chain 'LM' and resid 51 through 56' Processing helix chain 'LM' and resid 69 through 81 removed outlier: 3.559A pdb=" N LYSLM 79 " --> pdb=" O GLNLM 75 " (cutoff:3.500A) removed outlier: 5.124A pdb=" N ALALM 80 " --> pdb=" O ALALM 76 " (cutoff:3.500A) removed outlier: 3.889A pdb=" N ASPLM 81 " --> pdb=" O TRPLM 77 " (cutoff:3.500A) Processing helix chain 'LM' and resid 82 through 90 removed outlier: 4.840A pdb=" N ALALM 87 " --> pdb=" O ASNLM 83 " (cutoff:3.500A) removed outlier: 4.730A pdb=" N ALALM 88 " --> pdb=" O THRLM 84 " (cutoff:3.500A) removed outlier: 8.185A pdb=" N ARGLM 90 " --> pdb=" O TRPLM 86 " (cutoff:3.500A) Processing helix chain 'LM' and resid 91 through 104 removed outlier: 5.057A pdb=" N LYSLM 101 " --> pdb=" O ALALM 97 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N ALALM 102 " --> pdb=" O ARGLM 98 " (cutoff:3.500A) removed outlier: 4.213A pdb=" N METLM 104 " --> pdb=" O ARGLM 100 " (cutoff:3.500A) Processing helix chain 'LM' and resid 105 through 135 removed outlier: 3.706A pdb=" N ARGLM 121 " --> pdb=" O LYSLM 117 " (cutoff:3.500A) removed outlier: 3.887A pdb=" N LYSLM 124 " --> pdb=" O ASNLM 120 " (cutoff:3.500A) removed outlier: 3.683A pdb=" N LYSLM 128 " --> pdb=" O LYSLM 124 " (cutoff:3.500A) removed outlier: 3.501A pdb=" N GLNLM 131 " --> pdb=" O VALLM 127 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ALALM 133 " --> pdb=" O LYSLM 129 " (cutoff:3.500A) removed outlier: 4.698A pdb=" N ALALM 134 " --> pdb=" O LEULM 130 " (cutoff:3.500A) removed outlier: 4.252A pdb=" N LEULM 135 " --> pdb=" O GLNLM 131 " (cutoff:3.500A) Processing helix chain 'LN' and resid 2 through 14 removed outlier: 4.455A pdb=" N TYRLN 6 " --> pdb=" O GLYLN 2 " (cutoff:3.500A) removed outlier: 3.785A pdb=" N ARGLN 12 " --> pdb=" O GLNLN 8 " (cutoff:3.500A) removed outlier: 3.938A pdb=" N LYSLN 13 " --> pdb=" O GLULN 9 " (cutoff:3.500A) removed outlier: 4.585A pdb=" N LYSLN 14 " --> pdb=" O LEULN 10 " (cutoff:3.500A) Processing helix chain 'LN' and resid 16 through 34 removed outlier: 3.860A pdb=" N PHELN 21 " --> pdb=" O ASPLN 17 " (cutoff:3.500A) removed outlier: 3.773A pdb=" N CYSLN 27 " --> pdb=" O LEULN 23 " (cutoff:3.500A) removed outlier: 3.565A pdb=" N GLNLN 29 " --> pdb=" O VALLN 25 " (cutoff:3.500A) removed outlier: 4.069A pdb=" N LEULN 33 " --> pdb=" O GLNLN 29 " (cutoff:3.500A) removed outlier: 5.526A pdb=" N SERLN 34 " --> pdb=" O TYRLN 30 " (cutoff:3.500A) Processing helix chain 'LN' and resid 44 through 52 removed outlier: 3.856A pdb=" N ARGLN 49 " --> pdb=" O PROLN 45 " (cutoff:3.500A) removed outlier: 3.622A pdb=" N LEULN 51 " --> pdb=" O LYSLN 47 " (cutoff:3.500A) Processing helix chain 'LN' and resid 83 through 88 removed outlier: 4.077A pdb=" N HISLN 87 " --> pdb=" O LYSLN 83 " (cutoff:3.500A) removed outlier: 4.810A pdb=" N GLYLN 88 " --> pdb=" O PROLN 84 " (cutoff:3.500A) No H-bonds generated for 'chain 'LN' and resid 83 through 88' Processing helix chain 'LN' and resid 97 through 111 removed outlier: 3.526A pdb=" N ARGLN 105 " --> pdb=" O VALLN 101 " (cutoff:3.500A) removed outlier: 3.705A pdb=" N HISLN 109 " --> pdb=" O ARGLN 105 " (cutoff:3.500A) removed outlier: 3.638A pdb=" N GLYLN 111 " --> pdb=" O GLYLN 107 " (cutoff:3.500A) Processing helix chain 'LN' and resid 139 through 146 removed outlier: 3.691A pdb=" N ARGLN 144 " --> pdb=" O LYSLN 140 " (cutoff:3.500A) removed outlier: 4.970A pdb=" N ASNLN 145 " --> pdb=" O ALALN 141 " (cutoff:3.500A) Proline residue: LN 146 - end of helix Processing helix chain 'LN' and resid 148 through 153 removed outlier: 4.605A pdb=" N THRLN 152 " --> pdb=" O THRLN 148 " (cutoff:3.500A) removed outlier: 4.091A pdb=" N LYSLN 153 " --> pdb=" O GLNLN 149 " (cutoff:3.500A) No H-bonds generated for 'chain 'LN' and resid 148 through 153' Processing helix chain 'LN' and resid 158 through 163 removed outlier: 3.533A pdb=" N ARGLN 162 " --> pdb=" O HISLN 158 " (cutoff:3.500A) Processing helix chain 'LN' and resid 165 through 173 removed outlier: 3.625A pdb=" N LYSLN 170 " --> pdb=" O SERLN 166 " (cutoff:3.500A) removed outlier: 4.286A pdb=" N SERLN 171 " --> pdb=" O ALALN 167 " (cutoff:3.500A) removed outlier: 4.652A pdb=" N ARGLN 172 " --> pdb=" O GLYLN 168 " (cutoff:3.500A) removed outlier: 4.263A pdb=" N GLYLN 173 " --> pdb=" O ARGLN 169 " (cutoff:3.500A) Processing helix chain 'LN' and resid 187 through 197 Processing helix chain 'LO' and resid 15 through 30 removed outlier: 3.775A pdb=" N ILELO 22 " --> pdb=" O ARGLO 18 " (cutoff:3.500A) removed outlier: 3.600A pdb=" N LYSLO 25 " --> pdb=" O ALALO 21 " (cutoff:3.500A) removed outlier: 3.907A pdb=" N LEULO 28 " --> pdb=" O ALALO 24 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N LEULO 29 " --> pdb=" O LYSLO 25 " (cutoff:3.500A) removed outlier: 3.835A pdb=" N GLYLO 30 " --> pdb=" O GLNLO 26 " (cutoff:3.500A) Processing helix chain 'LO' and resid 46 through 61 removed outlier: 3.552A pdb=" N LYSLO 53 " --> pdb=" O ARGLO 49 " (cutoff:3.500A) removed outlier: 3.507A pdb=" N ARGLO 59 " --> pdb=" O LEULO 55 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N LYSLO 60 " --> pdb=" O ALALO 56 " (cutoff:3.500A) removed outlier: 5.586A pdb=" N ARGLO 61 " --> pdb=" O PHELO 57 " (cutoff:3.500A) Processing helix chain 'LO' and resid 65 through 70 removed outlier: 3.884A pdb=" N GLYLO 69 " --> pdb=" O ASNLO 65 " (cutoff:3.500A) Proline residue: LO 70 - end of helix No H-bonds generated for 'chain 'LO' and resid 65 through 70' Processing helix chain 'LO' and resid 75 through 89 removed outlier: 3.611A pdb=" N METLO 87 " --> pdb=" O THRLO 83 " (cutoff:3.500A) Proline residue: LO 89 - end of helix Processing helix chain 'LO' and resid 92 through 103 removed outlier: 3.643A pdb=" N ARGLO 101 " --> pdb=" O ALALO 97 " (cutoff:3.500A) removed outlier: 3.934A pdb=" N LEULO 102 " --> pdb=" O ALALO 98 " (cutoff:3.500A) removed outlier: 5.756A pdb=" N LYSLO 103 " --> pdb=" O LEULO 99 " (cutoff:3.500A) Processing helix chain 'LO' and resid 124 through 129 Processing helix chain 'LO' and resid 137 through 146 removed outlier: 3.928A pdb=" N VALLO 145 " --> pdb=" O LEULO 141 " (cutoff:3.500A) Processing helix chain 'LO' and resid 151 through 190 removed outlier: 3.615A pdb=" N LYSLO 159 " --> pdb=" O THRLO 155 " (cutoff:3.500A) removed outlier: 3.525A pdb=" N LYSLO 165 " --> pdb=" O LYSLO 161 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N ILELO 166 " --> pdb=" O GLULO 162 " (cutoff:3.500A) removed outlier: 3.538A pdb=" N LYSLO 179 " --> pdb=" O METLO 175 " (cutoff:3.500A) removed outlier: 3.798A pdb=" N GLNLO 180 " --> pdb=" O ARGLO 176 " (cutoff:3.500A) removed outlier: 4.066A pdb=" N LYSLO 183 " --> pdb=" O LYSLO 179 " (cutoff:3.500A) removed outlier: 4.195A pdb=" N GLULO 186 " --> pdb=" O GLULO 182 " (cutoff:3.500A) removed outlier: 6.124A pdb=" N LYSLO 187 " --> pdb=" O LYSLO 183 " (cutoff:3.500A) removed outlier: 6.150A pdb=" N LYSLO 188 " --> pdb=" O ASNLO 184 " (cutoff:3.500A) removed outlier: 4.548A pdb=" N ILELO 189 " --> pdb=" O VALLO 185 " (cutoff:3.500A) Processing helix chain 'LO' and resid 191 through 200 removed outlier: 3.587A pdb=" N LEULO 196 " --> pdb=" O TYRLO 192 " (cutoff:3.500A) removed outlier: 3.616A pdb=" N HISLO 199 " --> pdb=" O VALLO 195 " (cutoff:3.500A) removed outlier: 3.919A pdb=" N GLYLO 200 " --> pdb=" O LEULO 196 " (cutoff:3.500A) Processing helix chain 'LP' and resid 10 through 15 removed outlier: 4.282A pdb=" N SERLP 14 " --> pdb=" O ASNLP 10 " (cutoff:3.500A) removed outlier: 7.698A pdb=" N CYSLP 15 " --> pdb=" O PROLP 11 " (cutoff:3.500A) No H-bonds generated for 'chain 'LP' and resid 10 through 15' Processing helix chain 'LP' and resid 25 through 37 removed outlier: 3.751A pdb=" N GLULP 31 " --> pdb=" O LYSLP 27 " (cutoff:3.500A) removed outlier: 3.807A pdb=" N ALALP 35 " --> pdb=" O GLULP 31 " (cutoff:3.500A) Processing helix chain 'LP' and resid 40 through 54 removed outlier: 3.671A pdb=" N LEULP 48 " --> pdb=" O ALALP 44 " (cutoff:3.500A) removed outlier: 3.601A pdb=" N ASPLP 50 " --> pdb=" O LYSLP 46 " (cutoff:3.500A) removed outlier: 4.052A pdb=" N THRLP 52 " --> pdb=" O LEULP 48 " (cutoff:3.500A) removed outlier: 4.030A pdb=" N LEULP 53 " --> pdb=" O LYSLP 49 " (cutoff:3.500A) Processing helix chain 'LP' and resid 72 through 77 removed outlier: 4.889A pdb=" N TRPLP 76 " --> pdb=" O GLNLP 72 " (cutoff:3.500A) removed outlier: 4.005A pdb=" N GLYLP 77 " --> pdb=" O ALALP 73 " (cutoff:3.500A) No H-bonds generated for 'chain 'LP' and resid 72 through 77' Processing helix chain 'LP' and resid 84 through 106 Processing helix chain 'LQ' and resid 22 through 39 removed outlier: 3.665A pdb=" N PHELQ 34 " --> pdb=" O LYSLQ 30 " (cutoff:3.500A) removed outlier: 3.656A pdb=" N THRLQ 39 " --> pdb=" O LEULQ 35 " (cutoff:3.500A) Processing helix chain 'LQ' and resid 41 through 54 removed outlier: 4.233A pdb=" N GLNLQ 45 " --> pdb=" O SERLQ 41 " (cutoff:3.500A) removed outlier: 3.575A pdb=" N VALLQ 46 " --> pdb=" O THRLQ 42 " (cutoff:3.500A) removed outlier: 3.990A pdb=" N METLQ 53 " --> pdb=" O LYSLQ 49 " (cutoff:3.500A) removed outlier: 5.888A pdb=" N SERLQ 54 " --> pdb=" O ARGLQ 50 " (cutoff:3.500A) Processing helix chain 'LQ' and resid 62 through 72 removed outlier: 3.675A pdb=" N METLQ 66 " --> pdb=" O SERLQ 62 " (cutoff:3.500A) removed outlier: 3.798A pdb=" N LEULQ 72 " --> pdb=" O ARGLQ 68 " (cutoff:3.500A) Processing helix chain 'LQ' and resid 106 through 117 removed outlier: 3.627A pdb=" N ARGLQ 112 " --> pdb=" O ARGLQ 108 " (cutoff:3.500A) removed outlier: 3.638A pdb=" N GLYLQ 117 " --> pdb=" O ILELQ 113 " (cutoff:3.500A) Processing helix chain 'LQ' and resid 122 through 130 removed outlier: 3.601A pdb=" N ALALQ 127 " --> pdb=" O PHELQ 123 " (cutoff:3.500A) removed outlier: 3.747A pdb=" N LEULQ 128 " --> pdb=" O ASPLQ 124 " (cutoff:3.500A) Processing helix chain 'LQ' and resid 146 through 153 removed outlier: 4.342A pdb=" N ARGLQ 150 " --> pdb=" O ARGLQ 146 " (cutoff:3.500A) removed outlier: 4.190A pdb=" N HISLQ 151 " --> pdb=" O GLULQ 147 " (cutoff:3.500A) removed outlier: 5.812A pdb=" N GLYLQ 153 " --> pdb=" O TYRLQ 149 " (cutoff:3.500A) Processing helix chain 'LQ' and resid 171 through 176 removed outlier: 5.752A pdb=" N GLULQ 175 " --> pdb=" O GLYLQ 171 " (cutoff:3.500A) removed outlier: 4.892A pdb=" N ARGLQ 176 " --> pdb=" O ARGLQ 172 " (cutoff:3.500A) No H-bonds generated for 'chain 'LQ' and resid 171 through 176' Processing helix chain 'LR' and resid 4 through 16 removed outlier: 3.723A pdb=" N ARGLR 16 " --> pdb=" O SERLR 12 " (cutoff:3.500A) Processing helix chain 'LR' and resid 18 through 23 removed outlier: 3.701A pdb=" N VALLR 22 " --> pdb=" O GLYLR 18 " (cutoff:3.500A) removed outlier: 6.198A pdb=" N TRPLR 23 " --> pdb=" O LYSLR 19 " (cutoff:3.500A) No H-bonds generated for 'chain 'LR' and resid 18 through 23' Processing helix chain 'LR' and resid 28 through 36 removed outlier: 3.769A pdb=" N ILELR 32 " --> pdb=" O GLULR 28 " (cutoff:3.500A) removed outlier: 3.733A pdb=" N ALALR 33 " --> pdb=" O THRLR 29 " (cutoff:3.500A) removed outlier: 4.208A pdb=" N ALALR 35 " --> pdb=" O GLULR 31 " (cutoff:3.500A) removed outlier: 5.468A pdb=" N ASNLR 36 " --> pdb=" O ILELR 32 " (cutoff:3.500A) Processing helix chain 'LR' and resid 37 through 48 removed outlier: 6.382A pdb=" N ARGLR 42 " --> pdb=" O ARGLR 38 " (cutoff:3.500A) removed outlier: 4.194A pdb=" N LYSLR 43 " --> pdb=" O GLNLR 39 " (cutoff:3.500A) Processing helix chain 'LR' and resid 60 through 73 removed outlier: 3.608A pdb=" N ALALR 69 " --> pdb=" O LYSLR 65 " (cutoff:3.500A) removed outlier: 3.610A pdb=" N LYSLR 72 " --> pdb=" O LEULR 68 " (cutoff:3.500A) Processing helix chain 'LR' and resid 77 through 82 removed outlier: 4.509A pdb=" N ARGLR 81 " --> pdb=" O GLYLR 77 " (cutoff:3.500A) removed outlier: 5.782A pdb=" N LYSLR 82 " --> pdb=" O ILELR 78 " (cutoff:3.500A) No H-bonds generated for 'chain 'LR' and resid 77 through 82' Processing helix chain 'LR' and resid 84 through 113 Proline residue: LR 90 - end of helix removed outlier: 6.514A pdb=" N VALLR 93 " --> pdb=" O METLR 89 " (cutoff:3.500A) removed outlier: 3.656A pdb=" N ARGLR 100 " --> pdb=" O METLR 96 " (cutoff:3.500A) removed outlier: 4.251A pdb=" N ARGLR 103 " --> pdb=" O METLR 99 " (cutoff:3.500A) removed outlier: 3.664A pdb=" N LEULR 106 " --> pdb=" O LEULR 102 " (cutoff:3.500A) removed outlier: 3.686A pdb=" N ARGLR 110 " --> pdb=" O LEULR 106 " (cutoff:3.500A) removed outlier: 3.501A pdb=" N GLULR 111 " --> pdb=" O ARGLR 107 " (cutoff:3.500A) Processing helix chain 'LR' and resid 116 through 130 removed outlier: 3.711A pdb=" N LEULR 125 " --> pdb=" O HISLR 121 " (cutoff:3.500A) removed outlier: 3.879A pdb=" N LYSLR 126 " --> pdb=" O SERLR 122 " (cutoff:3.500A) removed outlier: 3.521A pdb=" N LYSLR 128 " --> pdb=" O TYRLR 124 " (cutoff:3.500A) Processing helix chain 'LR' and resid 134 through 183 removed outlier: 3.532A pdb=" N ALALR 147 " --> pdb=" O HISLR 143 " (cutoff:3.500A) removed outlier: 3.531A pdb=" N ASPLR 148 " --> pdb=" O LYSLR 144 " (cutoff:3.500A) removed outlier: 3.776A pdb=" N ALALR 156 " --> pdb=" O LYSLR 152 " (cutoff:3.500A) removed outlier: 3.771A pdb=" N ALALR 159 " --> pdb=" O LEULR 155 " (cutoff:3.500A) removed outlier: 4.196A pdb=" N GLULR 160 " --> pdb=" O ALALR 156 " (cutoff:3.500A) removed outlier: 3.548A pdb=" N LYSLR 165 " --> pdb=" O ALALR 161 " (cutoff:3.500A) removed outlier: 3.987A pdb=" N THRLR 166 " --> pdb=" O ARGLR 162 " (cutoff:3.500A) removed outlier: 4.166A pdb=" N GLULR 168 " --> pdb=" O SERLR 164 " (cutoff:3.500A) removed outlier: 3.562A pdb=" N ALALR 169 " --> pdb=" O LYSLR 165 " (cutoff:3.500A) removed outlier: 4.388A pdb=" N LYSLR 171 " --> pdb=" O LYSLR 167 " (cutoff:3.500A) removed outlier: 4.287A pdb=" N GLULR 175 " --> pdb=" O LYSLR 171 " (cutoff:3.500A) removed outlier: 3.901A pdb=" N ARGLR 176 " --> pdb=" O ARGLR 172 " (cutoff:3.500A) removed outlier: 4.323A pdb=" N GLNLR 178 " --> pdb=" O GLULR 174 " (cutoff:3.500A) removed outlier: 4.031A pdb=" N ALALR 179 " --> pdb=" O GLULR 175 " (cutoff:3.500A) removed outlier: 3.812A pdb=" N LYSLR 180 " --> pdb=" O ARGLR 176 " (cutoff:3.500A) removed outlier: 4.080A pdb=" N LYSLR 181 " --> pdb=" O LEULR 177 " (cutoff:3.500A) Processing helix chain 'LS' and resid 36 through 52 removed outlier: 3.716A pdb=" N TRPLS 45 " --> pdb=" O LYSLS 41 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N TYRLS 46 " --> pdb=" O SERLS 42 " (cutoff:3.500A) removed outlier: 3.648A pdb=" N SERLS 49 " --> pdb=" O TRPLS 45 " (cutoff:3.500A) removed outlier: 3.601A pdb=" N GLNLS 50 " --> pdb=" O TYRLS 46 " (cutoff:3.500A) Processing helix chain 'LS' and resid 101 through 117 Processing helix chain 'LS' and resid 120 through 125 removed outlier: 3.632A pdb=" N ILELS 124 " --> pdb=" O ARGLS 120 " (cutoff:3.500A) removed outlier: 5.699A pdb=" N GLNLS 125 " --> pdb=" O ALALS 121 " (cutoff:3.500A) No H-bonds generated for 'chain 'LS' and resid 120 through 125' Processing helix chain 'LS' and resid 139 through 147 removed outlier: 4.632A pdb=" N PHELS 145 " --> pdb=" O ALALS 141 " (cutoff:3.500A) removed outlier: 4.149A pdb=" N HISLS 146 " --> pdb=" O VALLS 142 " (cutoff:3.500A) removed outlier: 5.353A pdb=" N ASPLS 147 " --> pdb=" O LYSLS 143 " (cutoff:3.500A) Processing helix chain 'LS' and resid 161 through 166 Proline residue: LS 165 - end of helix No H-bonds generated for 'chain 'LS' and resid 161 through 166' Processing helix chain 'LT' and resid 11 through 16 removed outlier: 3.819A pdb=" N PHELT 15 " --> pdb=" O THRLT 11 " (cutoff:3.500A) removed outlier: 4.126A pdb=" N SERLT 16 " --> pdb=" O ARGLT 12 " (cutoff:3.500A) No H-bonds generated for 'chain 'LT' and resid 11 through 16' Processing helix chain 'LT' and resid 26 through 32 removed outlier: 4.571A pdb=" N TYRLT 30 " --> pdb=" O PROLT 26 " (cutoff:3.500A) removed outlier: 4.193A pdb=" N METLT 31 " --> pdb=" O LEULT 27 " (cutoff:3.500A) removed outlier: 3.544A pdb=" N ARGLT 32 " --> pdb=" O ALALT 28 " (cutoff:3.500A) No H-bonds generated for 'chain 'LT' and resid 26 through 32' Processing helix chain 'LT' and resid 92 through 97 removed outlier: 4.158A pdb=" N ILELT 96 " --> pdb=" O ARGLT 92 " (cutoff:3.500A) removed outlier: 5.519A pdb=" N LYSLT 97 " --> pdb=" O ILELT 93 " (cutoff:3.500A) No H-bonds generated for 'chain 'LT' and resid 92 through 97' Processing helix chain 'LT' and resid 99 through 123 removed outlier: 3.833A pdb=" N ASPLT 103 " --> pdb=" O SERLT 99 " (cutoff:3.500A) removed outlier: 3.983A pdb=" N PHELT 105 " --> pdb=" O SERLT 101 " (cutoff:3.500A) removed outlier: 4.079A pdb=" N ARGLT 108 " --> pdb=" O SERLT 104 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N LYSLT 110 " --> pdb=" O LEULT 106 " (cutoff:3.500A) removed outlier: 3.616A pdb=" N GLULT 111 " --> pdb=" O LYSLT 107 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N GLNLT 114 " --> pdb=" O LYSLT 110 " (cutoff:3.500A) removed outlier: 3.798A pdb=" N LYSLT 117 " --> pdb=" O ASPLT 113 " (cutoff:3.500A) removed outlier: 4.409A pdb=" N LYSLT 120 " --> pdb=" O LYSLT 116 " (cutoff:3.500A) removed outlier: 5.363A pdb=" N GLULT 121 " --> pdb=" O LYSLT 117 " (cutoff:3.500A) removed outlier: 4.161A pdb=" N LYSLT 122 " --> pdb=" O GLULT 118 " (cutoff:3.500A) Processing helix chain 'LU' and resid 27 through 32 removed outlier: 4.316A pdb=" N ASPLU 31 " --> pdb=" O HISLU 27 " (cutoff:3.500A) removed outlier: 3.585A pdb=" N GLYLU 32 " --> pdb=" O PROLU 28 " (cutoff:3.500A) No H-bonds generated for 'chain 'LU' and resid 27 through 32' Processing helix chain 'LU' and resid 35 through 46 removed outlier: 3.537A pdb=" N PHELU 39 " --> pdb=" O ASPLU 35 " (cutoff:3.500A) removed outlier: 3.501A pdb=" N GLNLU 41 " --> pdb=" O ALALU 37 " (cutoff:3.500A) removed outlier: 4.004A pdb=" N PHELU 42 " --> pdb=" O ASNLU 38 " (cutoff:3.500A) removed outlier: 3.916A pdb=" N LEULU 43 " --> pdb=" O PHELU 39 " (cutoff:3.500A) removed outlier: 3.557A pdb=" N GLULU 45 " --> pdb=" O GLNLU 41 " (cutoff:3.500A) Processing helix chain 'LU' and resid 55 through 60 removed outlier: 4.545A pdb=" N GLYLU 59 " --> pdb=" O ASNLU 55 " (cutoff:3.500A) removed outlier: 4.087A pdb=" N VALLU 60 " --> pdb=" O LEULU 56 " (cutoff:3.500A) No H-bonds generated for 'chain 'LU' and resid 55 through 60' Processing helix chain 'LU' and resid 79 through 95 removed outlier: 3.790A pdb=" N LEULU 83 " --> pdb=" O SERLU 79 " (cutoff:3.500A) removed outlier: 3.514A pdb=" N LEULU 91 " --> pdb=" O THRLU 87 " (cutoff:3.500A) Processing helix chain 'LV' and resid 69 through 74 removed outlier: 4.133A pdb=" N ARGLV 73 " --> pdb=" O LYSLV 69 " (cutoff:3.500A) removed outlier: 5.663A pdb=" N LYSLV 74 " --> pdb=" O PROLV 70 " (cutoff:3.500A) No H-bonds generated for 'chain 'LV' and resid 69 through 74' Processing helix chain 'LV' and resid 122 through 129 removed outlier: 3.670A pdb=" N ALALV 126 " --> pdb=" O ALALV 122 " (cutoff:3.500A) removed outlier: 3.671A pdb=" N ASPLV 127 " --> pdb=" O LYSLV 123 " (cutoff:3.500A) removed outlier: 4.332A pdb=" N LEULV 128 " --> pdb=" O GLULV 124 " (cutoff:3.500A) Processing helix chain 'LV' and resid 130 through 137 removed outlier: 3.771A pdb=" N ASNLV 135 " --> pdb=" O ARGLV 131 " (cutoff:3.500A) removed outlier: 5.627A pdb=" N GLYLV 137 " --> pdb=" O ALALV 133 " (cutoff:3.500A) Processing helix chain 'LW' and resid 33 through 43 removed outlier: 3.720A pdb=" N ALALW 39 " --> pdb=" O LYSLW 35 " (cutoff:3.500A) removed outlier: 3.643A pdb=" N LEULW 41 " --> pdb=" O GLULW 37 " (cutoff:3.500A) removed outlier: 3.991A pdb=" N LYSLW 43 " --> pdb=" O ALALW 39 " (cutoff:3.500A) Processing helix chain 'LW' and resid 45 through 50 removed outlier: 3.848A pdb=" N ILELW 49 " --> pdb=" O ASNLW 45 " (cutoff:3.500A) removed outlier: 5.912A pdb=" N ASNLW 50 " --> pdb=" O PROLW 46 " (cutoff:3.500A) No H-bonds generated for 'chain 'LW' and resid 45 through 50' Processing helix chain 'LW' and resid 52 through 60 removed outlier: 3.702A pdb=" N LYSLW 58 " --> pdb=" O LEULW 54 " (cutoff:3.500A) removed outlier: 3.548A pdb=" N LYSLW 60 " --> pdb=" O ARGLW 56 " (cutoff:3.500A) Processing helix chain 'LW' and resid 86 through 96 removed outlier: 4.115A pdb=" N ILELW 90 " --> pdb=" O SERLW 86 " (cutoff:3.500A) removed outlier: 4.534A pdb=" N METLW 91 " --> pdb=" O LEULW 87 " (cutoff:3.500A) removed outlier: 3.525A pdb=" N ALALW 92 " --> pdb=" O ALALW 88 " (cutoff:3.500A) removed outlier: 3.729A pdb=" N ASNLW 95 " --> pdb=" O METLW 91 " (cutoff:3.500A) removed outlier: 6.312A pdb=" N GLNLW 96 " --> pdb=" O ALALW 92 " (cutoff:3.500A) Processing helix chain 'LW' and resid 99 through 124 removed outlier: 5.050A pdb=" N ALALW 103 " --> pdb=" O GLULW 99 " (cutoff:3.500A) removed outlier: 4.929A pdb=" N GLNLW 104 " --> pdb=" O VALLW 100 " (cutoff:3.500A) removed outlier: 4.662A pdb=" N GLULW 106 " --> pdb=" O LYSLW 102 " (cutoff:3.500A) removed outlier: 3.981A pdb=" N GLNLW 107 " --> pdb=" O ALALW 103 " (cutoff:3.500A) removed outlier: 4.512A pdb=" N ALALW 108 " --> pdb=" O GLNLW 104 " (cutoff:3.500A) removed outlier: 4.919A pdb=" N ILELW 109 " --> pdb=" O ARGLW 105 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N ARGLW 110 " --> pdb=" O GLULW 106 " (cutoff:3.500A) removed outlier: 4.255A pdb=" N ALALW 115 " --> pdb=" O ALALW 111 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N ALALW 118 " --> pdb=" O GLULW 114 " (cutoff:3.500A) removed outlier: 3.959A pdb=" N LYSLW 119 " --> pdb=" O ALALW 115 " (cutoff:3.500A) removed outlier: 4.674A pdb=" N GLNLW 120 " --> pdb=" O LYSLW 116 " (cutoff:3.500A) removed outlier: 3.704A pdb=" N SERLW 122 " --> pdb=" O ALALW 118 " (cutoff:3.500A) removed outlier: 5.236A pdb=" N LYSLW 123 " --> pdb=" O LYSLW 119 " (cutoff:3.500A) removed outlier: 5.514A pdb=" N LYSLW 124 " --> pdb=" O GLNLW 120 " (cutoff:3.500A) Processing helix chain 'LX' and resid 72 through 78 removed outlier: 3.856A pdb=" N ILELX 77 " --> pdb=" O HISLX 73 " (cutoff:3.500A) removed outlier: 5.157A pdb=" N LYSLX 78 " --> pdb=" O TYRLX 74 " (cutoff:3.500A) Processing helix chain 'LX' and resid 83 through 93 removed outlier: 3.722A pdb=" N LYSLX 89 " --> pdb=" O SERLX 85 " (cutoff:3.500A) removed outlier: 3.602A pdb=" N ASPLX 92 " --> pdb=" O LYSLX 88 " (cutoff:3.500A) Processing helix chain 'LX' and resid 105 through 117 removed outlier: 3.707A pdb=" N LYSLX 110 " --> pdb=" O LYSLX 106 " (cutoff:3.500A) removed outlier: 3.565A pdb=" N LYSLX 114 " --> pdb=" O LYSLX 110 " (cutoff:3.500A) Processing helix chain 'LX' and resid 145 through 154 removed outlier: 3.542A pdb=" N VALLX 149 " --> pdb=" O ASPLX 145 " (cutoff:3.500A) removed outlier: 3.870A pdb=" N ASNLX 151 " --> pdb=" O LEULX 147 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N LYSLX 152 " --> pdb=" O ASPLX 148 " (cutoff:3.500A) Processing helix chain 'LY' and resid 10 through 21 removed outlier: 3.624A pdb=" N LYSLY 16 " --> pdb=" O SERLY 12 " (cutoff:3.500A) removed outlier: 4.191A pdb=" N ALALY 21 " --> pdb=" O ARGLY 17 " (cutoff:3.500A) Processing helix chain 'LY' and resid 22 through 31 removed outlier: 4.230A pdb=" N ARGLY 27 " --> pdb=" O SERLY 23 " (cutoff:3.500A) removed outlier: 4.304A pdb=" N LYSLY 28 " --> pdb=" O HISLY 24 " (cutoff:3.500A) removed outlier: 4.200A pdb=" N SERLY 31 " --> pdb=" O ARGLY 27 " (cutoff:3.500A) Processing helix chain 'LY' and resid 35 through 43 removed outlier: 3.886A pdb=" N GLNLY 40 " --> pdb=" O LYSLY 36 " (cutoff:3.500A) removed outlier: 3.911A pdb=" N LYSLY 41 " --> pdb=" O GLULY 37 " (cutoff:3.500A) removed outlier: 4.492A pdb=" N ASNLY 43 " --> pdb=" O ARGLY 39 " (cutoff:3.500A) Processing helix chain 'LY' and resid 100 through 105 removed outlier: 4.134A pdb=" N VALLY 104 " --> pdb=" O HISLY 100 " (cutoff:3.500A) removed outlier: 5.532A pdb=" N VALLY 105 " --> pdb=" O PROLY 101 " (cutoff:3.500A) No H-bonds generated for 'chain 'LY' and resid 100 through 105' Processing helix chain 'LY' and resid 112 through 134 removed outlier: 3.603A pdb=" N ILELY 118 " --> pdb=" O ASPLY 114 " (cutoff:3.500A) removed outlier: 4.184A pdb=" N LEULY 119 " --> pdb=" O ARGLY 115 " (cutoff:3.500A) removed outlier: 3.852A pdb=" N ARGLY 121 " --> pdb=" O LYSLY 117 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N LYSLY 122 " --> pdb=" O ILELY 118 " (cutoff:3.500A) removed outlier: 4.284A pdb=" N ARGLY 126 " --> pdb=" O LYSLY 122 " (cutoff:3.500A) removed outlier: 3.669A pdb=" N GLNLY 127 " --> pdb=" O ALALY 123 " (cutoff:3.500A) removed outlier: 3.693A pdb=" N VALLY 128 " --> pdb=" O LYSLY 124 " (cutoff:3.500A) removed outlier: 4.269A pdb=" N GLYLY 129 " --> pdb=" O SERLY 125 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N GLULY 131 " --> pdb=" O GLNLY 127 " (cutoff:3.500A) removed outlier: 3.945A pdb=" N LYSLY 132 " --> pdb=" O VALLY 128 " (cutoff:3.500A) removed outlier: 4.130A pdb=" N GLYLY 133 " --> pdb=" O GLYLY 129 " (cutoff:3.500A) removed outlier: 4.683A pdb=" N LYSLY 134 " --> pdb=" O LYSLY 130 " (cutoff:3.500A) Processing helix chain 'LZ' and resid 58 through 67 removed outlier: 3.511A pdb=" N LYSLZ 64 " --> pdb=" O LYSLZ 60 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N ARGLZ 65 " --> pdb=" O LYSLZ 61 " (cutoff:3.500A) removed outlier: 4.334A pdb=" N LYSLZ 67 " --> pdb=" O ALALZ 63 " (cutoff:3.500A) Processing helix chain 'LZ' and resid 76 through 81 removed outlier: 4.009A pdb=" N LEULZ 80 " --> pdb=" O ASNLZ 76 " (cutoff:3.500A) removed outlier: 5.282A pdb=" N METLZ 81 " --> pdb=" O TYRLZ 77 " (cutoff:3.500A) No H-bonds generated for 'chain 'LZ' and resid 76 through 81' Processing helix chain 'LZ' and resid 92 through 97 removed outlier: 3.821A pdb=" N VALLZ 96 " --> pdb=" O ASPLZ 92 " (cutoff:3.500A) removed outlier: 4.778A pdb=" N ASNLZ 97 " --> pdb=" O LYSLZ 93 " (cutoff:3.500A) No H-bonds generated for 'chain 'LZ' and resid 92 through 97' Processing helix chain 'LZ' and resid 103 through 125 removed outlier: 4.021A pdb=" N LYSLZ 109 " --> pdb=" O ALALZ 105 " (cutoff:3.500A) removed outlier: 3.613A pdb=" N LYSLZ 115 " --> pdb=" O ARGLZ 111 " (cutoff:3.500A) removed outlier: 3.805A pdb=" N LYSLZ 117 " --> pdb=" O GLULZ 113 " (cutoff:3.500A) removed outlier: 4.863A pdb=" N PHELZ 118 " --> pdb=" O ALALZ 114 " (cutoff:3.500A) removed outlier: 4.739A pdb=" N LYSLZ 123 " --> pdb=" O GLULZ 119 " (cutoff:3.500A) removed outlier: 4.334A pdb=" N THRLZ 124 " --> pdb=" O GLULZ 120 " (cutoff:3.500A) removed outlier: 4.675A pdb=" N GLYLZ 125 " --> pdb=" O ARGLZ 121 " (cutoff:3.500A) Processing helix chain 'LZ' and resid 127 through 133 removed outlier: 3.662A pdb=" N PHELZ 131 " --> pdb=" O ASNLZ 127 " (cutoff:3.500A) removed outlier: 4.240A pdb=" N GLNLZ 132 " --> pdb=" O LYSLZ 128 " (cutoff:3.500A) removed outlier: 5.686A pdb=" N LYSLZ 133 " --> pdb=" O TRPLZ 129 " (cutoff:3.500A) No H-bonds generated for 'chain 'LZ' and resid 127 through 133' Processing helix chain 'La' and resid 2 through 7 removed outlier: 4.460A pdb=" N ARGLa 6 " --> pdb=" O PROLa 2 " (cutoff:3.500A) removed outlier: 5.903A pdb=" N LYSLa 7 " --> pdb=" O SERLa 3 " (cutoff:3.500A) No H-bonds generated for 'chain 'La' and resid 2 through 7' Processing helix chain 'La' and resid 41 through 48 removed outlier: 3.509A pdb=" N TYRLa 48 " --> pdb=" O ASNLa 44 " (cutoff:3.500A) Processing helix chain 'La' and resid 64 through 69 removed outlier: 4.157A pdb=" N SERLa 68 " --> pdb=" O LYSLa 64 " (cutoff:3.500A) removed outlier: 4.284A pdb=" N PHELa 69 " --> pdb=" O ARGLa 65 " (cutoff:3.500A) No H-bonds generated for 'chain 'La' and resid 64 through 69' Processing helix chain 'La' and resid 74 through 83 removed outlier: 4.085A pdb=" N LEULa 78 " --> pdb=" O ASNLa 74 " (cutoff:3.500A) removed outlier: 5.317A pdb=" N TRPLa 79 " --> pdb=" O LEULa 75 " (cutoff:3.500A) removed outlier: 5.383A pdb=" N THRLa 80 " --> pdb=" O ASPLa 76 " (cutoff:3.500A) removed outlier: 4.759A pdb=" N LEULa 81 " --> pdb=" O LYSLa 77 " (cutoff:3.500A) removed outlier: 4.372A pdb=" N VALLa 82 " --> pdb=" O LEULa 78 " (cutoff:3.500A) removed outlier: 5.000A pdb=" N SERLa 83 " --> pdb=" O TRPLa 79 " (cutoff:3.500A) No H-bonds generated for 'chain 'La' and resid 74 through 83' Processing helix chain 'La' and resid 84 through 93 removed outlier: 3.587A pdb=" N LYSLa 92 " --> pdb=" O VALLa 88 " (cutoff:3.500A) removed outlier: 4.198A pdb=" N ASNLa 93 " --> pdb=" O ASNLa 89 " (cutoff:3.500A) Processing helix chain 'La' and resid 102 through 107 removed outlier: 3.945A pdb=" N SERLa 106 " --> pdb=" O ASPLa 102 " (cutoff:3.500A) Processing helix chain 'La' and resid 130 through 141 removed outlier: 3.656A pdb=" N GLULa 134 " --> pdb=" O SERLa 130 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N LYSLa 136 " --> pdb=" O ARGLa 132 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N VALLa 140 " --> pdb=" O LYSLa 136 " (cutoff:3.500A) removed outlier: 3.586A pdb=" N GLYLa 141 " --> pdb=" O ILELa 137 " (cutoff:3.500A) Processing helix chain 'Lb' and resid 11 through 20 removed outlier: 3.555A pdb=" N HISLb 17 " --> pdb=" O SERLb 13 " (cutoff:3.500A) removed outlier: 3.722A pdb=" N ARGLb 18 " --> pdb=" O ARGLb 14 " (cutoff:3.500A) removed outlier: 4.717A pdb=" N ASNLb 19 " --> pdb=" O LYSLb 15 " (cutoff:3.500A) removed outlier: 4.665A pdb=" N GLYLb 20 " --> pdb=" O TRPLb 16 " (cutoff:3.500A) Processing helix chain 'Lb' and resid 36 through 54 removed outlier: 3.562A pdb=" N ASNLb 42 " --> pdb=" O LYSLb 38 " (cutoff:3.500A) removed outlier: 3.709A pdb=" N HISLb 49 " --> pdb=" O PHELb 45 " (cutoff:3.500A) removed outlier: 4.694A pdb=" N ASNLb 50 " --> pdb=" O ALALb 46 " (cutoff:3.500A) removed outlier: 4.706A pdb=" N LYSLb 51 " --> pdb=" O LYSLb 47 " (cutoff:3.500A) removed outlier: 5.509A pdb=" N LYSLb 52 " --> pdb=" O LYSLb 48 " (cutoff:3.500A) removed outlier: 5.333A pdb=" N GLYLb 53 " --> pdb=" O HISLb 49 " (cutoff:3.500A) removed outlier: 4.837A pdb=" N LEULb 54 " --> pdb=" O ASNLb 50 " (cutoff:3.500A) Processing helix chain 'Lb' and resid 55 through 75 removed outlier: 4.179A pdb=" N ASNLb 60 " --> pdb=" O LYSLb 56 " (cutoff:3.500A) removed outlier: 3.895A pdb=" N ALALb 62 " --> pdb=" O GLNLb 58 " (cutoff:3.500A) removed outlier: 5.324A pdb=" N LYSLb 63 " --> pdb=" O ALALb 59 " (cutoff:3.500A) removed outlier: 4.107A pdb=" N ARGLb 68 " --> pdb=" O ALALb 64 " (cutoff:3.500A) removed outlier: 3.573A pdb=" N ALALb 69 " --> pdb=" O METLb 65 " (cutoff:3.500A) removed outlier: 5.268A pdb=" N GLULb 70 " --> pdb=" O SERLb 66 " (cutoff:3.500A) removed outlier: 4.332A pdb=" N ALALb 71 " --> pdb=" O ALALb 67 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N ALALb 74 " --> pdb=" O GLULb 70 " (cutoff:3.500A) removed outlier: 5.775A pdb=" N LEULb 75 " --> pdb=" O ALALb 71 " (cutoff:3.500A) Processing helix chain 'Lb' and resid 91 through 101 removed outlier: 3.904A pdb=" N LEULb 96 " --> pdb=" O LYSLb 92 " (cutoff:3.500A) removed outlier: 3.507A pdb=" N ALALb 97 " --> pdb=" O LEULb 93 " (cutoff:3.500A) removed outlier: 3.504A pdb=" N TYRLb 98 " --> pdb=" O ASPLb 94 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N HISLb 101 " --> pdb=" O ALALb 97 " (cutoff:3.500A) Processing helix chain 'Lb' and resid 105 through 118 removed outlier: 3.505A pdb=" N ARGLb 109 " --> pdb=" O GLYLb 105 " (cutoff:3.500A) removed outlier: 4.164A pdb=" N ALALb 113 " --> pdb=" O ARGLb 109 " (cutoff:3.500A) removed outlier: 4.429A pdb=" N LYSLb 114 " --> pdb=" O ALALb 110 " (cutoff:3.500A) removed outlier: 3.738A pdb=" N GLYLb 115 " --> pdb=" O ARGLb 111 " (cutoff:3.500A) removed outlier: 3.502A pdb=" N LEULb 116 " --> pdb=" O ILELb 112 " (cutoff:3.500A) removed outlier: 4.697A pdb=" N LEULb 118 " --> pdb=" O LYSLb 114 " (cutoff:3.500A) Processing helix chain 'Lc' and resid 9 through 25 removed outlier: 3.548A pdb=" N SERLc 13 " --> pdb=" O LYSLc 9 " (cutoff:3.500A) removed outlier: 4.032A pdb=" N ILELc 14 " --> pdb=" O SERLc 10 " (cutoff:3.500A) removed outlier: 4.838A pdb=" N SERLc 16 " --> pdb=" O GLULc 12 " (cutoff:3.500A) removed outlier: 3.895A pdb=" N GLNLc 19 " --> pdb=" O ASNLc 15 " (cutoff:3.500A) removed outlier: 3.969A pdb=" N LEULc 20 " --> pdb=" O SERLc 16 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N VALLc 21 " --> pdb=" O ARGLc 17 " (cutoff:3.500A) removed outlier: 3.758A pdb=" N METLc 22 " --> pdb=" O LEULc 18 " (cutoff:3.500A) removed outlier: 4.793A pdb=" N LYSLc 23 " --> pdb=" O GLNLc 19 " (cutoff:3.500A) removed outlier: 3.795A pdb=" N SERLc 24 " --> pdb=" O LEULc 20 " (cutoff:3.500A) Processing helix chain 'Lc' and resid 30 through 41 removed outlier: 3.923A pdb=" N LYSLc 36 " --> pdb=" O LYSLc 32 " (cutoff:3.500A) removed outlier: 3.938A pdb=" N METLc 37 " --> pdb=" O GLNLc 33 " (cutoff:3.500A) removed outlier: 4.895A pdb=" N GLNLc 40 " --> pdb=" O LYSLc 36 " (cutoff:3.500A) Processing helix chain 'Lc' and resid 53 through 68 removed outlier: 3.566A pdb=" N LEULc 66 " --> pdb=" O TYRLc 62 " (cutoff:3.500A) Processing helix chain 'Lc' and resid 77 through 86 removed outlier: 3.858A pdb=" N ALALc 84 " --> pdb=" O GLULc 80 " (cutoff:3.500A) Processing helix chain 'Ld' and resid 28 through 34 removed outlier: 3.901A pdb=" N ARGLd 32 " --> pdb=" O ASNLd 28 " (cutoff:3.500A) removed outlier: 5.749A pdb=" N HISLd 34 " --> pdb=" O HISLd 30 " (cutoff:3.500A) Processing helix chain 'Ld' and resid 40 through 57 removed outlier: 3.574A pdb=" N LEULd 46 " --> pdb=" O ALALd 42 " (cutoff:3.500A) removed outlier: 3.517A pdb=" N LYSLd 47 " --> pdb=" O PROLd 43 " (cutoff:3.500A) removed outlier: 3.626A pdb=" N METLd 54 " --> pdb=" O ARGLd 50 " (cutoff:3.500A) removed outlier: 3.829A pdb=" N LYSLd 55 " --> pdb=" O LYSLd 51 " (cutoff:3.500A) removed outlier: 3.977A pdb=" N METLd 57 " --> pdb=" O ALALd 53 " (cutoff:3.500A) Processing helix chain 'Ld' and resid 65 through 74 removed outlier: 3.621A pdb=" N ASNLd 69 " --> pdb=" O ASPLd 65 " (cutoff:3.500A) removed outlier: 3.636A pdb=" N LYSLd 70 " --> pdb=" O THRLd 66 " (cutoff:3.500A) removed outlier: 3.776A pdb=" N ALALd 71 " --> pdb=" O ARGLd 67 " (cutoff:3.500A) Processing helix chain 'Le' and resid 24 through 29 removed outlier: 4.091A pdb=" N TYRLe 28 " --> pdb=" O GLNLe 24 " (cutoff:3.500A) removed outlier: 5.429A pdb=" N VALLe 29 " --> pdb=" O SERLe 25 " (cutoff:3.500A) No H-bonds generated for 'chain 'Le' and resid 24 through 29' Processing helix chain 'Le' and resid 43 through 48 Processing helix chain 'Le' and resid 81 through 92 removed outlier: 4.628A pdb=" N VALLe 87 " --> pdb=" O LYSLe 83 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N LEULe 88 " --> pdb=" O GLULe 84 " (cutoff:3.500A) removed outlier: 4.262A pdb=" N LEULe 89 " --> pdb=" O LEULe 85 " (cutoff:3.500A) removed outlier: 5.318A pdb=" N METLe 90 " --> pdb=" O GLULe 86 " (cutoff:3.500A) removed outlier: 4.698A pdb=" N CYSLe 91 " --> pdb=" O VALLe 87 " (cutoff:3.500A) Processing helix chain 'Le' and resid 104 through 119 removed outlier: 3.587A pdb=" N LYSLe 109 " --> pdb=" O SERLe 105 " (cutoff:3.500A) removed outlier: 4.018A pdb=" N ALALe 110 " --> pdb=" O LYSLe 106 " (cutoff:3.500A) removed outlier: 3.515A pdb=" N ILELe 111 " --> pdb=" O ASNLe 107 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N GLULe 113 " --> pdb=" O LYSLe 109 " (cutoff:3.500A) removed outlier: 3.893A pdb=" N ARGLe 114 " --> pdb=" O ALALe 110 " (cutoff:3.500A) removed outlier: 3.589A pdb=" N ALALe 116 " --> pdb=" O VALLe 112 " (cutoff:3.500A) removed outlier: 3.742A pdb=" N GLNLe 117 " --> pdb=" O GLULe 113 " (cutoff:3.500A) removed outlier: 3.501A pdb=" N ALALe 119 " --> pdb=" O ALALe 115 " (cutoff:3.500A) Processing helix chain 'Lf' and resid 35 through 44 removed outlier: 3.847A pdb=" N THRLf 39 " --> pdb=" O ALALf 35 " (cutoff:3.500A) removed outlier: 4.674A pdb=" N GLULf 40 " --> pdb=" O ARGLf 36 " (cutoff:3.500A) removed outlier: 7.022A pdb=" N PHELf 41 " --> pdb=" O ASPLf 37 " (cutoff:3.500A) removed outlier: 5.862A pdb=" N TYRLf 42 " --> pdb=" O GLULf 38 " (cutoff:3.500A) removed outlier: 3.855A pdb=" N LEULf 43 " --> pdb=" O THRLf 39 " (cutoff:3.500A) removed outlier: 5.491A pdb=" N GLYLf 44 " --> pdb=" O GLULf 40 " (cutoff:3.500A) No H-bonds generated for 'chain 'Lf' and resid 35 through 44' Processing helix chain 'Lg' and resid 60 through 68 removed outlier: 4.440A pdb=" N METLg 65 " --> pdb=" O PROLg 61 " (cutoff:3.500A) removed outlier: 4.944A pdb=" N ARGLg 66 " --> pdb=" O LYSLg 62 " (cutoff:3.500A) removed outlier: 4.033A pdb=" N LEULg 67 " --> pdb=" O VALLg 63 " (cutoff:3.500A) removed outlier: 6.094A pdb=" N SERLg 68 " --> pdb=" O LEULg 64 " (cutoff:3.500A) Processing helix chain 'Lg' and resid 83 through 112 removed outlier: 3.755A pdb=" N LYSLg 92 " --> pdb=" O ARGLg 88 " (cutoff:3.500A) removed outlier: 3.766A pdb=" N GLULg 98 " --> pdb=" O ALALg 94 " (cutoff:3.500A) removed outlier: 3.605A pdb=" N VALLg 103 " --> pdb=" O GLULg 99 " (cutoff:3.500A) removed outlier: 3.654A pdb=" N LYSLg 108 " --> pdb=" O VALLg 104 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N ALALg 111 " --> pdb=" O LEULg 107 " (cutoff:3.500A) removed outlier: 4.522A pdb=" N GLNLg 112 " --> pdb=" O LYSLg 108 " (cutoff:3.500A) Processing helix chain 'Lh' and resid 5 through 11 removed outlier: 3.603A pdb=" N LEULh 9 " --> pdb=" O LYSLh 5 " (cutoff:3.500A) removed outlier: 3.816A pdb=" N ARGLh 10 " --> pdb=" O ALALh 6 " (cutoff:3.500A) removed outlier: 5.313A pdb=" N GLYLh 11 " --> pdb=" O ARGLh 7 " (cutoff:3.500A) No H-bonds generated for 'chain 'Lh' and resid 5 through 11' Processing helix chain 'Lh' and resid 13 through 38 removed outlier: 4.367A pdb=" N LYSLh 19 " --> pdb=" O GLULh 15 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N ASPLh 23 " --> pdb=" O LYSLh 19 " (cutoff:3.500A) removed outlier: 4.077A pdb=" N LEULh 24 " --> pdb=" O GLNLh 20 " (cutoff:3.500A) removed outlier: 3.736A pdb=" N VALLh 36 " --> pdb=" O ARGLh 32 " (cutoff:3.500A) removed outlier: 3.549A pdb=" N GLYLh 38 " --> pdb=" O ALALh 34 " (cutoff:3.500A) Processing helix chain 'Lh' and resid 40 through 74 removed outlier: 4.110A pdb=" N LYSLh 46 " --> pdb=" O SERLh 42 " (cutoff:3.500A) removed outlier: 4.490A pdb=" N ILELh 47 " --> pdb=" O LYSLh 43 " (cutoff:3.500A) removed outlier: 4.849A pdb=" N ARGLh 48 " --> pdb=" O LEULh 44 " (cutoff:3.500A) removed outlier: 4.078A pdb=" N VALLh 49 " --> pdb=" O SERLh 45 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N LYSLh 74 " --> pdb=" O ARGLh 70 " (cutoff:3.500A) Processing helix chain 'Lh' and resid 80 through 85 Proline residue: Lh 85 - end of helix Processing helix chain 'Lh' and resid 88 through 95 removed outlier: 6.210A pdb=" N LEULh 95 " --> pdb=" O METLh 91 " (cutoff:3.500A) Processing helix chain 'Lh' and resid 96 through 103 removed outlier: 4.320A pdb=" N ASNLh 101 " --> pdb=" O LYSLh 97 " (cutoff:3.500A) removed outlier: 4.156A pdb=" N LEULh 102 " --> pdb=" O HISLh 98 " (cutoff:3.500A) removed outlier: 6.730A pdb=" N LYSLh 103 " --> pdb=" O GLULh 99 " (cutoff:3.500A) Processing helix chain 'Lh' and resid 104 through 114 removed outlier: 3.514A pdb=" N ARGLh 109 " --> pdb=" O LYSLh 105 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LYSLh 110 " --> pdb=" O LYSLh 106 " (cutoff:3.500A) removed outlier: 3.807A pdb=" N GLULh 111 " --> pdb=" O GLNLh 107 " (cutoff:3.500A) removed outlier: 3.994A pdb=" N ARGLh 112 " --> pdb=" O GLNLh 108 " (cutoff:3.500A) Processing helix chain 'Li' and resid 25 through 30 removed outlier: 4.605A pdb=" N ARGLi 29 " --> pdb=" O ARGLi 25 " (cutoff:3.500A) removed outlier: 4.612A pdb=" N ARGLi 30 " --> pdb=" O HISLi 26 " (cutoff:3.500A) No H-bonds generated for 'chain 'Li' and resid 25 through 30' Processing helix chain 'Li' and resid 34 through 49 removed outlier: 3.756A pdb=" N PHELi 39 " --> pdb=" O LYSLi 35 " (cutoff:3.500A) removed outlier: 3.685A pdb=" N ARGLi 45 " --> pdb=" O ARGLi 41 " (cutoff:3.500A) Processing helix chain 'Li' and resid 51 through 64 removed outlier: 3.577A pdb=" N GLULi 59 " --> pdb=" O ARGLi 55 " (cutoff:3.500A) removed outlier: 3.551A pdb=" N LEULi 61 " --> pdb=" O ALALi 57 " (cutoff:3.500A) removed outlier: 3.670A pdb=" N VALLi 63 " --> pdb=" O GLULi 59 " (cutoff:3.500A) removed outlier: 4.111A pdb=" N SERLi 64 " --> pdb=" O LEULi 60 " (cutoff:3.500A) Processing helix chain 'Li' and resid 65 through 78 removed outlier: 3.672A pdb=" N LYSLi 75 " --> pdb=" O LYSLi 71 " (cutoff:3.500A) Processing helix chain 'Li' and resid 79 through 103 removed outlier: 3.660A pdb=" N ARGLi 85 " --> pdb=" O ILELi 81 " (cutoff:3.500A) removed outlier: 3.747A pdb=" N ASNLi 92 " --> pdb=" O GLULi 88 " (cutoff:3.500A) removed outlier: 4.243A pdb=" N ARGLi 98 " --> pdb=" O LEULi 94 " (cutoff:3.500A) removed outlier: 3.848A pdb=" N ALALi 101 " --> pdb=" O METLi 97 " (cutoff:3.500A) removed outlier: 4.033A pdb=" N ALALi 102 " --> pdb=" O ARGLi 98 " (cutoff:3.500A) removed outlier: 4.209A pdb=" N LYSLi 103 " --> pdb=" O LYSLi 99 " (cutoff:3.500A) Processing helix chain 'Lj' and resid 4 through 11 removed outlier: 3.624A pdb=" N PHELj 8 " --> pdb=" O GLYLj 4 " (cutoff:3.500A) removed outlier: 3.807A pdb=" N GLYLj 9 " --> pdb=" O THRLj 5 " (cutoff:3.500A) removed outlier: 4.825A pdb=" N LYSLj 10 " --> pdb=" O SERLj 6 " (cutoff:3.500A) removed outlier: 4.608A pdb=" N ARGLj 11 " --> pdb=" O SERLj 7 " (cutoff:3.500A) No H-bonds generated for 'chain 'Lj' and resid 4 through 11' Processing helix chain 'Lj' and resid 50 through 58 removed outlier: 3.649A pdb=" N LYSLj 54 " --> pdb=" O SERLj 50 " (cutoff:3.500A) removed outlier: 3.645A pdb=" N ARGLj 56 " --> pdb=" O LYSLj 52 " (cutoff:3.500A) removed outlier: 4.518A pdb=" N ASNLj 57 " --> pdb=" O ALALj 53 " (cutoff:3.500A) removed outlier: 3.650A pdb=" N THRLj 58 " --> pdb=" O LYSLj 54 " (cutoff:3.500A) Processing helix chain 'Lj' and resid 64 through 77 removed outlier: 4.617A pdb=" N ILELj 69 " --> pdb=" O ARGLj 65 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N ARGLj 72 " --> pdb=" O LYSLj 68 " (cutoff:3.500A) removed outlier: 4.295A pdb=" N ARGLj 75 " --> pdb=" O TYRLj 71 " (cutoff:3.500A) removed outlier: 4.373A pdb=" N HISLj 76 " --> pdb=" O ARGLj 72 " (cutoff:3.500A) removed outlier: 3.827A pdb=" N GLYLj 77 " --> pdb=" O ARGLj 73 " (cutoff:3.500A) Processing helix chain 'Lk' and resid 7 through 17 removed outlier: 4.077A pdb=" N PHELk 11 " --> pdb=" O GLULk 7 " (cutoff:3.500A) removed outlier: 3.640A pdb=" N LEULk 12 " --> pdb=" O ILELk 8 " (cutoff:3.500A) removed outlier: 4.181A pdb=" N LEULk 13 " --> pdb=" O LYSLk 9 " (cutoff:3.500A) removed outlier: 3.663A pdb=" N ARGLk 16 " --> pdb=" O LEULk 12 " (cutoff:3.500A) removed outlier: 4.558A pdb=" N ARGLk 17 " --> pdb=" O LEULk 13 " (cutoff:3.500A) Processing helix chain 'Lk' and resid 49 through 60 removed outlier: 3.792A pdb=" N GLULk 54 " --> pdb=" O LYSLk 50 " (cutoff:3.500A) removed outlier: 3.946A pdb=" N LYSLk 55 " --> pdb=" O GLULk 51 " (cutoff:3.500A) removed outlier: 3.622A pdb=" N GLNLk 58 " --> pdb=" O GLULk 54 " (cutoff:3.500A) removed outlier: 3.795A pdb=" N SERLk 59 " --> pdb=" O LYSLk 55 " (cutoff:3.500A) removed outlier: 4.439A pdb=" N LEULk 60 " --> pdb=" O LEULk 56 " (cutoff:3.500A) Processing helix chain 'Ll' and resid 6 through 21 removed outlier: 3.546A pdb=" N PHELl 12 " --> pdb=" O ARGLl 8 " (cutoff:3.500A) removed outlier: 4.196A pdb=" N ASNLl 20 " --> pdb=" O LYSLl 16 " (cutoff:3.500A) removed outlier: 5.142A pdb=" N ARGLl 21 " --> pdb=" O GLNLl 17 " (cutoff:3.500A) Processing helix chain 'Ll' and resid 24 through 30 removed outlier: 4.443A pdb=" N ARGLl 28 " --> pdb=" O PROLl 24 " (cutoff:3.500A) removed outlier: 4.933A pdb=" N METLl 29 " --> pdb=" O GLNLl 25 " (cutoff:3.500A) removed outlier: 4.391A pdb=" N LYSLl 30 " --> pdb=" O TRPLl 26 " (cutoff:3.500A) No H-bonds generated for 'chain 'Ll' and resid 24 through 30' Processing helix chain 'Lm' and resid 79 through 91 removed outlier: 3.698A pdb=" N GLNLm 84 " --> pdb=" O PROLm 80 " (cutoff:3.500A) removed outlier: 3.937A pdb=" N LEULm 85 " --> pdb=" O SERLm 81 " (cutoff:3.500A) removed outlier: 3.879A pdb=" N LYSLm 88 " --> pdb=" O GLNLm 84 " (cutoff:3.500A) removed outlier: 3.830A pdb=" N TYRLm 89 " --> pdb=" O LEULm 85 " (cutoff:3.500A) Processing helix chain 'Ln' and resid 2 through 24 removed outlier: 3.536A pdb=" N ARGLn 18 " --> pdb=" O LYSLn 14 " (cutoff:3.500A) removed outlier: 3.887A pdb=" N LYSLn 19 " --> pdb=" O ARGLn 15 " (cutoff:3.500A) removed outlier: 3.654A pdb=" N METLn 20 " --> pdb=" O LYSLn 16 " (cutoff:3.500A) removed outlier: 3.793A pdb=" N ARGLn 23 " --> pdb=" O LYSLn 19 " (cutoff:3.500A) Processing helix chain 'Lo' and resid 35 through 46 Processing helix chain 'Lp' and resid 19 through 35 removed outlier: 3.900A pdb=" N LYSLp 28 " --> pdb=" O LYSLp 24 " (cutoff:3.500A) removed outlier: 4.193A pdb=" N ILELp 29 " --> pdb=" O METLp 25 " (cutoff:3.500A) removed outlier: 3.700A pdb=" N HISLp 34 " --> pdb=" O GLULp 30 " (cutoff:3.500A) Processing helix chain 'Lp' and resid 73 through 92 removed outlier: 3.508A pdb=" N LYSLp 90 " --> pdb=" O LEULp 86 " (cutoff:3.500A) removed outlier: 4.335A pdb=" N ASPLp 91 " --> pdb=" O LYSLp 87 " (cutoff:3.500A) removed outlier: 4.784A pdb=" N GLNLp 92 " --> pdb=" O GLULp 88 " (cutoff:3.500A) Processing helix chain 'Lr' and resid 2 through 13 removed outlier: 3.577A pdb=" N METLr 8 " --> pdb=" O HISLr 4 " (cutoff:3.500A) removed outlier: 3.823A pdb=" N VALLr 9 " --> pdb=" O LEULr 5 " (cutoff:3.500A) removed outlier: 5.718A pdb=" N ASNLr 12 " --> pdb=" O METLr 8 " (cutoff:3.500A) removed outlier: 4.020A pdb=" N CYSLr 13 " --> pdb=" O VALLr 9 " (cutoff:3.500A) Processing helix chain 'Lr' and resid 85 through 99 removed outlier: 3.531A pdb=" N THRLr 89 " --> pdb=" O ASNLr 85 " (cutoff:3.500A) removed outlier: 3.755A pdb=" N LEULr 90 " --> pdb=" O ALALr 86 " (cutoff:3.500A) removed outlier: 3.815A pdb=" N ILELr 97 " --> pdb=" O ILELr 93 " (cutoff:3.500A) Processing helix chain 'Lr' and resid 103 through 123 removed outlier: 4.443A pdb=" N ARGLr 107 " --> pdb=" O ARGLr 103 " (cutoff:3.500A) removed outlier: 6.204A pdb=" N METLr 108 " --> pdb=" O PROLr 104 " (cutoff:3.500A) removed outlier: 4.894A pdb=" N ALALr 109 " --> pdb=" O ASPLr 105 " (cutoff:3.500A) removed outlier: 4.097A pdb=" N SERLr 120 " --> pdb=" O ALALr 116 " (cutoff:3.500A) removed outlier: 3.791A pdb=" N GLNLr 121 " --> pdb=" O ILELr 117 " (cutoff:3.500A) Proline residue: Lr 123 - end of helix Processing helix chain 'Lz' and resid 73 through 79 removed outlier: 3.792A pdb=" N ALALz 77 " --> pdb=" O HISLz 73 " (cutoff:3.500A) removed outlier: 4.901A pdb=" N ALALz 79 " --> pdb=" O ASPLz 75 " (cutoff:3.500A) Processing helix chain 'Lz' and resid 86 through 94 removed outlier: 3.704A pdb=" N LYSLz 92 " --> pdb=" O GLULz 88 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N ASNLz 94 " --> pdb=" O LEULz 90 " (cutoff:3.500A) Processing helix chain 'Lz' and resid 114 through 120 removed outlier: 5.192A pdb=" N LYSLz 118 " --> pdb=" O GLULz 114 " (cutoff:3.500A) removed outlier: 5.495A pdb=" N GLNLz 119 " --> pdb=" O SERLz 115 " (cutoff:3.500A) removed outlier: 4.601A pdb=" N ILELz 120 " --> pdb=" O LEULz 116 " (cutoff:3.500A) No H-bonds generated for 'chain 'Lz' and resid 114 through 120' Processing helix chain 'Lz' and resid 126 through 132 removed outlier: 3.709A pdb=" N LYSLz 130 " --> pdb=" O PROLz 126 " (cutoff:3.500A) removed outlier: 4.222A pdb=" N ALALz 131 " --> pdb=" O GLYLz 127 " (cutoff:3.500A) removed outlier: 4.054A pdb=" N GLYLz 132 " --> pdb=" O LEULz 128 " (cutoff:3.500A) No H-bonds generated for 'chain 'Lz' and resid 126 through 132' Processing helix chain 'Lz' and resid 176 through 193 removed outlier: 4.552A pdb=" N TYRLz 181 " --> pdb=" O ASPLz 177 " (cutoff:3.500A) removed outlier: 4.752A pdb=" N ASNLz 182 " --> pdb=" O GLULz 178 " (cutoff:3.500A) removed outlier: 4.239A pdb=" N ILELz 183 " --> pdb=" O LEULz 179 " (cutoff:3.500A) removed outlier: 6.336A pdb=" N HISLz 184 " --> pdb=" O VALLz 180 " (cutoff:3.500A) removed outlier: 8.094A pdb=" N LEULz 185 " --> pdb=" O TYRLz 181 " (cutoff:3.500A) removed outlier: 7.774A pdb=" N ALALz 186 " --> pdb=" O ASNLz 182 " (cutoff:3.500A) removed outlier: 7.840A pdb=" N VALLz 187 " --> pdb=" O ILELz 183 " (cutoff:3.500A) removed outlier: 5.685A pdb=" N ASNLz 188 " --> pdb=" O HISLz 184 " (cutoff:3.500A) removed outlier: 3.585A pdb=" N PHELz 189 " --> pdb=" O LEULz 185 " (cutoff:3.500A) removed outlier: 3.701A pdb=" N VALLz 191 " --> pdb=" O VALLz 187 " (cutoff:3.500A) removed outlier: 4.178A pdb=" N SERLz 192 " --> pdb=" O ASNLz 188 " (cutoff:3.500A) removed outlier: 5.151A pdb=" N LEULz 193 " --> pdb=" O PHELz 189 " (cutoff:3.500A) Processing helix chain 'SA' and resid 11 through 22 removed outlier: 4.066A pdb=" N VALSA 15 " --> pdb=" O LYSSA 11 " (cutoff:3.500A) removed outlier: 4.033A pdb=" N LEUSA 16 " --> pdb=" O GLUSA 12 " (cutoff:3.500A) removed outlier: 4.547A pdb=" N LYSSA 17 " --> pdb=" O GLUSA 13 " (cutoff:3.500A) Processing helix chain 'SA' and resid 31 through 39 removed outlier: 3.507A pdb=" N GLUSA 35 " --> pdb=" O ASPSA 31 " (cutoff:3.500A) removed outlier: 5.539A pdb=" N GLNSA 36 " --> pdb=" O PHESA 32 " (cutoff:3.500A) removed outlier: 5.746A pdb=" N TYRSA 37 " --> pdb=" O GLNSA 33 " (cutoff:3.500A) removed outlier: 4.226A pdb=" N ILESA 38 " --> pdb=" O METSA 34 " (cutoff:3.500A) removed outlier: 6.633A pdb=" N TYRSA 39 " --> pdb=" O GLUSA 35 " (cutoff:3.500A) No H-bonds generated for 'chain 'SA' and resid 31 through 39' Processing helix chain 'SA' and resid 50 through 69 removed outlier: 3.575A pdb=" N TRPSA 55 " --> pdb=" O LEUSA 51 " (cutoff:3.500A) removed outlier: 3.639A pdb=" N ALASA 67 " --> pdb=" O ARGSA 63 " (cutoff:3.500A) removed outlier: 3.585A pdb=" N ILESA 68 " --> pdb=" O ALASA 64 " (cutoff:3.500A) removed outlier: 5.321A pdb=" N GLUSA 69 " --> pdb=" O ILESA 65 " (cutoff:3.500A) Processing helix chain 'SA' and resid 80 through 95 removed outlier: 3.894A pdb=" N GLNSA 84 " --> pdb=" O ARGSA 80 " (cutoff:3.500A) removed outlier: 4.577A pdb=" N ARGSA 85 " --> pdb=" O ASNSA 81 " (cutoff:3.500A) removed outlier: 7.006A pdb=" N ALASA 86 " --> pdb=" O THRSA 82 " (cutoff:3.500A) Processing helix chain 'SA' and resid 126 through 131 Processing helix chain 'SA' and resid 132 through 141 removed outlier: 3.637A pdb=" N SERSA 138 " --> pdb=" O LEUSA 134 " (cutoff:3.500A) removed outlier: 4.242A pdb=" N TYRSA 139 " --> pdb=" O THRSA 135 " (cutoff:3.500A) removed outlier: 4.039A pdb=" N VALSA 140 " --> pdb=" O GLUSA 136 " (cutoff:3.500A) Processing helix chain 'SA' and resid 167 through 187 removed outlier: 3.658A pdb=" N GLYSA 172 " --> pdb=" O ALASA 168 " (cutoff:3.500A) removed outlier: 3.504A pdb=" N LEUSA 178 " --> pdb=" O METSA 174 " (cutoff:3.500A) removed outlier: 3.652A pdb=" N METSA 185 " --> pdb=" O GLUSA 181 " (cutoff:3.500A) removed outlier: 3.599A pdb=" N ARGSA 186 " --> pdb=" O VALSA 182 " (cutoff:3.500A) removed outlier: 4.241A pdb=" N GLYSA 187 " --> pdb=" O LEUSA 183 " (cutoff:3.500A) Processing helix chain 'SA' and resid 198 through 204 removed outlier: 4.783A pdb=" N TYRSA 202 " --> pdb=" O METSA 198 " (cutoff:3.500A) removed outlier: 4.024A pdb=" N PHESA 203 " --> pdb=" O PROSA 199 " (cutoff:3.500A) removed outlier: 5.906A pdb=" N TYRSA 204 " --> pdb=" O ASPSA 200 " (cutoff:3.500A) No H-bonds generated for 'chain 'SA' and resid 198 through 204' Processing helix chain 'SA' and resid 206 through 223 removed outlier: 3.716A pdb=" N GLUSA 211 " --> pdb=" O PROSA 207 " (cutoff:3.500A) removed outlier: 4.482A pdb=" N LYSSA 212 " --> pdb=" O GLUSA 208 " (cutoff:3.500A) removed outlier: 3.707A pdb=" N GLUSA 213 " --> pdb=" O GLUSA 209 " (cutoff:3.500A) removed outlier: 4.465A pdb=" N GLUSA 214 " --> pdb=" O ILESA 210 " (cutoff:3.500A) removed outlier: 5.348A pdb=" N GLNSA 215 " --> pdb=" O GLUSA 211 " (cutoff:3.500A) removed outlier: 4.214A pdb=" N ALASA 217 " --> pdb=" O GLUSA 213 " (cutoff:3.500A) removed outlier: 4.403A pdb=" N LYSSA 220 " --> pdb=" O ALASA 216 " (cutoff:3.500A) removed outlier: 5.609A pdb=" N ALASA 221 " --> pdb=" O ALASA 217 " (cutoff:3.500A) removed outlier: 4.837A pdb=" N VALSA 222 " --> pdb=" O ALASA 218 " (cutoff:3.500A) removed outlier: 3.992A pdb=" N THRSA 223 " --> pdb=" O GLUSA 219 " (cutoff:3.500A) Processing helix chain 'SB' and resid 23 through 29 removed outlier: 5.213A pdb=" N LYSSB 27 " --> pdb=" O ASPSB 23 " (cutoff:3.500A) removed outlier: 4.138A pdb=" N LYSSB 28 " --> pdb=" O PROSB 24 " (cutoff:3.500A) removed outlier: 5.951A pdb=" N ASPSB 29 " --> pdb=" O PHESB 25 " (cutoff:3.500A) No H-bonds generated for 'chain 'SB' and resid 23 through 29' Processing helix chain 'SB' and resid 57 through 63 removed outlier: 3.692A pdb=" N GLYSB 61 " --> pdb=" O ILESB 57 " (cutoff:3.500A) removed outlier: 4.307A pdb=" N LEUSB 62 " --> pdb=" O ALASB 58 " (cutoff:3.500A) removed outlier: 5.120A pdb=" N LYSSB 63 " --> pdb=" O SERSB 59 " (cutoff:3.500A) No H-bonds generated for 'chain 'SB' and resid 57 through 63' Processing helix chain 'SB' and resid 70 through 75 removed outlier: 3.642A pdb=" N LEUSB 74 " --> pdb=" O SERSB 70 " (cutoff:3.500A) Processing helix chain 'SB' and resid 106 through 115 removed outlier: 3.808A pdb=" N SERSB 112 " --> pdb=" O ASPSB 108 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N VALSB 114 " --> pdb=" O METSB 110 " (cutoff:3.500A) removed outlier: 6.378A pdb=" N LYSSB 115 " --> pdb=" O CYSSB 111 " (cutoff:3.500A) Processing helix chain 'SB' and resid 157 through 179 removed outlier: 3.553A pdb=" N GLNSB 177 " --> pdb=" O THRSB 173 " (cutoff:3.500A) removed outlier: 3.598A pdb=" N THRSB 178 " --> pdb=" O ARGSB 174 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N ASNSB 179 " --> pdb=" O GLUSB 175 " (cutoff:3.500A) Processing helix chain 'SB' and resid 180 through 191 removed outlier: 3.537A pdb=" N VALSB 184 " --> pdb=" O ASPSB 180 " (cutoff:3.500A) removed outlier: 3.884A pdb=" N ASNSB 186 " --> pdb=" O LYSSB 182 " (cutoff:3.500A) removed outlier: 3.562A pdb=" N ILESB 189 " --> pdb=" O VALSB 185 " (cutoff:3.500A) Proline residue: SB 190 - end of helix Processing helix chain 'SB' and resid 192 through 202 removed outlier: 3.665A pdb=" N ASPSB 196 " --> pdb=" O SERSB 192 " (cutoff:3.500A) removed outlier: 3.722A pdb=" N GLNSB 202 " --> pdb=" O GLUSB 198 " (cutoff:3.500A) Processing helix chain 'SB' and resid 224 through 233 removed outlier: 4.221A pdb=" N LEUSB 228 " --> pdb=" O GLUSB 224 " (cutoff:3.500A) removed outlier: 3.687A pdb=" N METSB 229 " --> pdb=" O LEUSB 225 " (cutoff:3.500A) removed outlier: 3.716A pdb=" N GLUSB 230 " --> pdb=" O GLYSB 226 " (cutoff:3.500A) removed outlier: 3.534A pdb=" N LEUSB 231 " --> pdb=" O LYSSB 227 " (cutoff:3.500A) Processing helix chain 'SD' and resid 6 through 29 removed outlier: 3.957A pdb=" N VALSD 12 " --> pdb=" O LYSSD 8 " (cutoff:3.500A) removed outlier: 3.501A pdb=" N LYSSD 18 " --> pdb=" O ASPSD 14 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N GLUSD 20 " --> pdb=" O ILESD 16 " (cutoff:3.500A) removed outlier: 3.509A pdb=" N GLUSD 23 " --> pdb=" O ALASD 19 " (cutoff:3.500A) removed outlier: 3.555A pdb=" N ARGSD 27 " --> pdb=" O GLUSD 23 " (cutoff:3.500A) Processing helix chain 'SD' and resid 54 through 60 removed outlier: 3.932A pdb=" N VALSD 58 " --> pdb=" O ARGSD 54 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N LEUSD 59 " --> pdb=" O THRSD 55 " (cutoff:3.500A) removed outlier: 5.059A pdb=" N GLYSD 60 " --> pdb=" O GLNSD 56 " (cutoff:3.500A) No H-bonds generated for 'chain 'SD' and resid 54 through 60' Processing helix chain 'SD' and resid 63 through 77 removed outlier: 3.644A pdb=" N ARGSD 67 " --> pdb=" O GLYSD 63 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N LEUSD 69 " --> pdb=" O ARGSD 65 " (cutoff:3.500A) removed outlier: 3.615A pdb=" N THRSD 70 " --> pdb=" O ILESD 66 " (cutoff:3.500A) removed outlier: 3.932A pdb=" N ALASD 71 " --> pdb=" O ARGSD 67 " (cutoff:3.500A) removed outlier: 4.223A pdb=" N VALSD 72 " --> pdb=" O GLUSD 68 " (cutoff:3.500A) removed outlier: 3.869A pdb=" N VALSD 73 " --> pdb=" O LEUSD 69 " (cutoff:3.500A) Processing helix chain 'SD' and resid 97 through 112 removed outlier: 3.796A pdb=" N GLNSD 101 " --> pdb=" O CYSSD 97 " (cutoff:3.500A) removed outlier: 3.964A pdb=" N GLUSD 103 " --> pdb=" O ILESD 99 " (cutoff:3.500A) removed outlier: 4.062A pdb=" N GLYSD 112 " --> pdb=" O LYSSD 108 " (cutoff:3.500A) Processing helix chain 'SD' and resid 114 through 130 removed outlier: 3.802A pdb=" N GLYSD 121 " --> pdb=" O ARGSD 117 " (cutoff:3.500A) removed outlier: 3.920A pdb=" N GLUSD 128 " --> pdb=" O ARGSD 124 " (cutoff:3.500A) removed outlier: 3.834A pdb=" N GLYSD 130 " --> pdb=" O ILESD 126 " (cutoff:3.500A) Processing helix chain 'SD' and resid 162 through 167 removed outlier: 4.625A pdb=" N TYRSD 166 " --> pdb=" O ASPSD 162 " (cutoff:3.500A) Processing helix chain 'SE' and resid 43 through 50 removed outlier: 3.627A pdb=" N LEUSE 48 " --> pdb=" O LEUSE 44 " (cutoff:3.500A) removed outlier: 3.758A pdb=" N ASNSE 50 " --> pdb=" O ILESE 46 " (cutoff:3.500A) Processing helix chain 'SE' and resid 57 through 68 removed outlier: 3.573A pdb=" N VALSE 61 " --> pdb=" O THRSE 57 " (cutoff:3.500A) removed outlier: 3.647A pdb=" N LYSSE 62 " --> pdb=" O GLYSE 58 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N LYSSE 63 " --> pdb=" O ASPSE 59 " (cutoff:3.500A) removed outlier: 3.887A pdb=" N ILESE 64 " --> pdb=" O GLUSE 60 " (cutoff:3.500A) removed outlier: 4.584A pdb=" N GLNSE 67 " --> pdb=" O LYSSE 63 " (cutoff:3.500A) removed outlier: 5.018A pdb=" N ARGSE 68 " --> pdb=" O ILESE 64 " (cutoff:3.500A) Processing helix chain 'SE' and resid 115 through 121 removed outlier: 4.981A pdb=" N LYSSE 120 " --> pdb=" O PROSE 116 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N TYRSE 121 " --> pdb=" O GLUSE 117 " (cutoff:3.500A) Processing helix chain 'SE' and resid 221 through 226 removed outlier: 4.091A pdb=" N ILESE 225 " --> pdb=" O ARGSE 221 " (cutoff:3.500A) removed outlier: 5.886A pdb=" N PHESE 226 " --> pdb=" O LEUSE 222 " (cutoff:3.500A) No H-bonds generated for 'chain 'SE' and resid 221 through 226' Processing helix chain 'SE' and resid 247 through 263 removed outlier: 3.559A pdb=" N ARGSE 252 " --> pdb=" O ILESE 248 " (cutoff:3.500A) removed outlier: 3.893A pdb=" N ASPSE 253 " --> pdb=" O ALASE 249 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N LYSSE 254 " --> pdb=" O GLUSE 250 " (cutoff:3.500A) removed outlier: 3.673A pdb=" N LYSSE 259 " --> pdb=" O ARGSE 255 " (cutoff:3.500A) removed outlier: 3.853A pdb=" N GLNSE 260 " --> pdb=" O LEUSE 256 " (cutoff:3.500A) removed outlier: 3.682A pdb=" N SERSE 261 " --> pdb=" O ALASE 257 " (cutoff:3.500A) removed outlier: 3.740A pdb=" N SERSE 262 " --> pdb=" O ALASE 258 " (cutoff:3.500A) Processing helix chain 'SF' and resid 32 through 40 removed outlier: 3.942A pdb=" N GLNSF 36 " --> pdb=" O ASPSF 32 " (cutoff:3.500A) removed outlier: 5.443A pdb=" N ASPSF 37 " --> pdb=" O ILESF 33 " (cutoff:3.500A) removed outlier: 5.413A pdb=" N TYRSF 38 " --> pdb=" O SERSF 34 " (cutoff:3.500A) removed outlier: 5.874A pdb=" N ALASF 40 " --> pdb=" O GLNSF 36 " (cutoff:3.500A) Processing helix chain 'SF' and resid 61 through 67 removed outlier: 4.478A pdb=" N GLNSF 65 " --> pdb=" O PHESF 61 " (cutoff:3.500A) removed outlier: 4.087A pdb=" N CYSSF 66 " --> pdb=" O ARGSF 62 " (cutoff:3.500A) Proline residue: SF 67 - end of helix No H-bonds generated for 'chain 'SF' and resid 61 through 67' Processing helix chain 'SF' and resid 68 through 78 removed outlier: 3.533A pdb=" N SERSF 75 " --> pdb=" O ARGSF 71 " (cutoff:3.500A) removed outlier: 3.971A pdb=" N METSF 77 " --> pdb=" O THRSF 73 " (cutoff:3.500A) removed outlier: 5.793A pdb=" N METSF 78 " --> pdb=" O ASNSF 74 " (cutoff:3.500A) Processing helix chain 'SF' and resid 85 through 104 removed outlier: 3.653A pdb=" N THRSF 89 " --> pdb=" O LYSSF 85 " (cutoff:3.500A) removed outlier: 4.114A pdb=" N ARGSF 91 " --> pdb=" O LEUSF 87 " (cutoff:3.500A) removed outlier: 4.068A pdb=" N VALSF 93 " --> pdb=" O THRSF 89 " (cutoff:3.500A) removed outlier: 3.557A pdb=" N GLUSF 98 " --> pdb=" O LYSSF 94 " (cutoff:3.500A) Processing helix chain 'SF' and resid 107 through 120 removed outlier: 3.575A pdb=" N ILESF 117 " --> pdb=" O VALSF 113 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N GLYSF 120 " --> pdb=" O ILESF 116 " (cutoff:3.500A) Processing helix chain 'SF' and resid 142 through 163 removed outlier: 4.929A pdb=" N VALSF 147 " --> pdb=" O PROSF 143 " (cutoff:3.500A) removed outlier: 3.937A pdb=" N ALASF 150 " --> pdb=" O ARGSF 146 " (cutoff:3.500A) removed outlier: 3.548A pdb=" N ALASF 161 " --> pdb=" O GLYSF 157 " (cutoff:3.500A) removed outlier: 3.754A pdb=" N ALASF 162 " --> pdb=" O ALASF 158 " (cutoff:3.500A) removed outlier: 3.623A pdb=" N PHESF 163 " --> pdb=" O ARGSF 159 " (cutoff:3.500A) Processing helix chain 'SF' and resid 168 through 183 removed outlier: 3.909A pdb=" N ASNSF 179 " --> pdb=" O ASPSF 175 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N GLYSF 183 " --> pdb=" O ASNSF 179 " (cutoff:3.500A) Processing helix chain 'SF' and resid 187 through 204 removed outlier: 3.541A pdb=" N LYSSF 191 " --> pdb=" O SERSF 187 " (cutoff:3.500A) removed outlier: 4.547A pdb=" N LEUSF 196 " --> pdb=" O LYSSF 192 " (cutoff:3.500A) removed outlier: 3.557A pdb=" N VALSF 199 " --> pdb=" O GLUSF 195 " (cutoff:3.500A) removed outlier: 3.577A pdb=" N ALASF 200 " --> pdb=" O LEUSF 196 " (cutoff:3.500A) removed outlier: 3.751A pdb=" N ASNSF 203 " --> pdb=" O VALSF 199 " (cutoff:3.500A) Processing helix chain 'SH' and resid 22 through 30 removed outlier: 4.293A pdb=" N LEUSH 27 " --> pdb=" O ILESH 23 " (cutoff:3.500A) Processing helix chain 'SH' and resid 35 through 44 removed outlier: 5.818A pdb=" N GLNSH 39 " --> pdb=" O ASPSH 35 " (cutoff:3.500A) removed outlier: 3.934A pdb=" N ARGSH 41 " --> pdb=" O LYSSH 37 " (cutoff:3.500A) removed outlier: 5.587A pdb=" N GLUSH 42 " --> pdb=" O ALASH 38 " (cutoff:3.500A) removed outlier: 4.500A pdb=" N LEUSH 43 " --> pdb=" O GLNSH 39 " (cutoff:3.500A) removed outlier: 5.305A pdb=" N ASNSH 44 " --> pdb=" O LEUSH 40 " (cutoff:3.500A) Processing helix chain 'SH' and resid 65 through 76 removed outlier: 3.680A pdb=" N LEUSH 69 " --> pdb=" O PROSH 65 " (cutoff:3.500A) removed outlier: 5.061A pdb=" N LYSSH 70 " --> pdb=" O VALSH 66 " (cutoff:3.500A) removed outlier: 5.904A pdb=" N SERSH 71 " --> pdb=" O PROSH 67 " (cutoff:3.500A) removed outlier: 3.785A pdb=" N ILESH 75 " --> pdb=" O SERSH 71 " (cutoff:3.500A) Processing helix chain 'SH' and resid 77 through 88 removed outlier: 3.842A pdb=" N ARGSH 81 " --> pdb=" O VALSH 77 " (cutoff:3.500A) removed outlier: 4.579A pdb=" N GLUSH 82 " --> pdb=" O ARGSH 78 " (cutoff:3.500A) removed outlier: 3.900A pdb=" N LYSSH 85 " --> pdb=" O ARGSH 81 " (cutoff:3.500A) removed outlier: 4.446A pdb=" N LYSSH 86 " --> pdb=" O GLUSH 82 " (cutoff:3.500A) Processing helix chain 'SH' and resid 117 through 122 removed outlier: 3.858A pdb=" N THRSH 121 " --> pdb=" O PROSH 117 " (cutoff:3.500A) removed outlier: 6.009A pdb=" N LEUSH 122 " --> pdb=" O ARGSH 118 " (cutoff:3.500A) No H-bonds generated for 'chain 'SH' and resid 117 through 122' Processing helix chain 'SH' and resid 123 through 135 removed outlier: 3.740A pdb=" N ALASH 128 " --> pdb=" O ALASH 124 " (cutoff:3.500A) removed outlier: 4.293A pdb=" N LEUSH 130 " --> pdb=" O HISSH 126 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N GLUSH 131 " --> pdb=" O ASPSH 127 " (cutoff:3.500A) removed outlier: 3.846A pdb=" N ASPSH 132 " --> pdb=" O ALASH 128 " (cutoff:3.500A) removed outlier: 3.793A pdb=" N VALSH 134 " --> pdb=" O LEUSH 130 " (cutoff:3.500A) removed outlier: 4.584A pdb=" N PHESH 135 " --> pdb=" O GLUSH 131 " (cutoff:3.500A) Processing helix chain 'SH' and resid 159 through 164 removed outlier: 6.537A pdb=" N GLNSH 163 " --> pdb=" O ASPSH 159 " (cutoff:3.500A) removed outlier: 5.706A pdb=" N ASNSH 164 " --> pdb=" O LYSSH 160 " (cutoff:3.500A) No H-bonds generated for 'chain 'SH' and resid 159 through 164' Processing helix chain 'SH' and resid 169 through 181 removed outlier: 3.549A pdb=" N GLYSH 175 " --> pdb=" O GLUSH 171 " (cutoff:3.500A) Processing helix chain 'SI' and resid 87 through 94 removed outlier: 4.234A pdb=" N VALSI 91 " --> pdb=" O ASNSI 87 " (cutoff:3.500A) removed outlier: 3.935A pdb=" N ARGSI 92 " --> pdb=" O ASNSI 88 " (cutoff:3.500A) removed outlier: 3.542A pdb=" N LYSSI 94 " --> pdb=" O LEUSI 90 " (cutoff:3.500A) Processing helix chain 'SI' and resid 106 through 118 removed outlier: 3.566A pdb=" N TRPSI 112 " --> pdb=" O PROSI 108 " (cutoff:3.500A) removed outlier: 3.705A pdb=" N SERSI 115 " --> pdb=" O GLNSI 111 " (cutoff:3.500A) Processing helix chain 'SI' and resid 131 through 139 removed outlier: 4.515A pdb=" N GLUSI 135 " --> pdb=" O PROSI 131 " (cutoff:3.500A) removed outlier: 4.033A pdb=" N ILESI 136 " --> pdb=" O GLUSI 132 " (cutoff:3.500A) removed outlier: 4.888A pdb=" N ASNSI 138 " --> pdb=" O GLUSI 134 " (cutoff:3.500A) Processing helix chain 'SI' and resid 142 through 157 removed outlier: 4.286A pdb=" N LYSSI 148 " --> pdb=" O LYSSI 144 " (cutoff:3.500A) removed outlier: 4.211A pdb=" N TYRSI 149 " --> pdb=" O ILESI 145 " (cutoff:3.500A) removed outlier: 4.881A pdb=" N LYSSI 154 " --> pdb=" O ASPSI 150 " (cutoff:3.500A) removed outlier: 5.203A pdb=" N ASNSI 155 " --> pdb=" O GLUSI 151 " (cutoff:3.500A) removed outlier: 3.892A pdb=" N ALASI 156 " --> pdb=" O ARGSI 152 " (cutoff:3.500A) removed outlier: 7.318A pdb=" N LYSSI 157 " --> pdb=" O LYSSI 153 " (cutoff:3.500A) Processing helix chain 'SI' and resid 159 through 169 removed outlier: 3.570A pdb=" N GLUSI 164 " --> pdb=" O SERSI 160 " (cutoff:3.500A) removed outlier: 4.426A pdb=" N GLNSI 165 " --> pdb=" O LEUSI 161 " (cutoff:3.500A) removed outlier: 3.622A pdb=" N PHESI 166 " --> pdb=" O LEUSI 162 " (cutoff:3.500A) removed outlier: 3.743A pdb=" N GLNSI 168 " --> pdb=" O GLUSI 164 " (cutoff:3.500A) removed outlier: 3.683A pdb=" N GLYSI 169 " --> pdb=" O GLNSI 165 " (cutoff:3.500A) Processing helix chain 'SI' and resid 192 through 207 removed outlier: 3.990A pdb=" N ARGSI 200 " --> pdb=" O GLUSI 196 " (cutoff:3.500A) removed outlier: 3.971A pdb=" N ARGSI 205 " --> pdb=" O LYSSI 201 " (cutoff:3.500A) removed outlier: 4.878A pdb=" N LYSSI 206 " --> pdb=" O ILESI 202 " (cutoff:3.500A) removed outlier: 5.246A pdb=" N GLYSI 207 " --> pdb=" O LYSSI 203 " (cutoff:3.500A) Processing helix chain 'SK' and resid 4 through 19 removed outlier: 3.582A pdb=" N ARGSK 8 " --> pdb=" O PROSK 4 " (cutoff:3.500A) removed outlier: 3.603A pdb=" N ALASK 10 " --> pdb=" O LYSSK 6 " (cutoff:3.500A) removed outlier: 3.932A pdb=" N LEUSK 14 " --> pdb=" O ALASK 10 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N GLUSK 18 " --> pdb=" O LEUSK 14 " (cutoff:3.500A) removed outlier: 4.587A pdb=" N GLYSK 19 " --> pdb=" O LEUSK 15 " (cutoff:3.500A) Processing helix chain 'SK' and resid 41 through 56 removed outlier: 3.910A pdb=" N VALSK 45 " --> pdb=" O PROSK 41 " (cutoff:3.500A) removed outlier: 3.827A pdb=" N SERSK 51 " --> pdb=" O LYSSK 47 " (cutoff:3.500A) removed outlier: 3.581A pdb=" N LYSSK 53 " --> pdb=" O METSK 49 " (cutoff:3.500A) Processing helix chain 'SK' and resid 72 through 83 removed outlier: 3.593A pdb=" N GLNSK 77 " --> pdb=" O ASNSK 73 " (cutoff:3.500A) removed outlier: 3.582A pdb=" N ASPSK 81 " --> pdb=" O GLNSK 77 " (cutoff:3.500A) Processing helix chain 'SK' and resid 91 through 96 removed outlier: 4.370A pdb=" N ARGSK 95 " --> pdb=" O PROSK 91 " (cutoff:3.500A) Processing helix chain 'SL' and resid 47 through 53 removed outlier: 3.955A pdb=" N ILESL 51 " --> pdb=" O PROSL 47 " (cutoff:3.500A) Processing helix chain 'SP' and resid 21 through 29 removed outlier: 3.640A pdb=" N LEUSP 25 " --> pdb=" O ASPSP 21 " (cutoff:3.500A) removed outlier: 3.887A pdb=" N LEUSP 26 " --> pdb=" O LEUSP 22 " (cutoff:3.500A) removed outlier: 4.143A pdb=" N ASPSP 27 " --> pdb=" O ASPSP 23 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N METSP 28 " --> pdb=" O GLNSP 24 " (cutoff:3.500A) removed outlier: 5.552A pdb=" N SERSP 29 " --> pdb=" O LEUSP 25 " (cutoff:3.500A) No H-bonds generated for 'chain 'SP' and resid 21 through 29' Processing helix chain 'SP' and resid 30 through 37 removed outlier: 4.831A pdb=" N GLNSP 35 " --> pdb=" O GLUSP 31 " (cutoff:3.500A) removed outlier: 4.488A pdb=" N LEUSP 36 " --> pdb=" O GLNSP 32 " (cutoff:3.500A) Processing helix chain 'SP' and resid 38 through 48 removed outlier: 4.289A pdb=" N GLYSP 48 " --> pdb=" O ARGSP 44 " (cutoff:3.500A) Processing helix chain 'SP' and resid 50 through 67 removed outlier: 3.617A pdb=" N LEUSP 56 " --> pdb=" O LYSSP 52 " (cutoff:3.500A) removed outlier: 3.519A pdb=" N LEUSP 57 " --> pdb=" O GLNSP 53 " (cutoff:3.500A) removed outlier: 3.844A pdb=" N LYSSP 58 " --> pdb=" O HISSP 54 " (cutoff:3.500A) removed outlier: 4.341A pdb=" N ARGSP 59 " --> pdb=" O SERSP 55 " (cutoff:3.500A) removed outlier: 4.128A pdb=" N ALASP 63 " --> pdb=" O ARGSP 59 " (cutoff:3.500A) removed outlier: 3.724A pdb=" N GLUSP 66 " --> pdb=" O LYSSP 62 " (cutoff:3.500A) removed outlier: 3.720A pdb=" N ALASP 67 " --> pdb=" O ALASP 63 " (cutoff:3.500A) Processing helix chain 'SP' and resid 115 through 121 removed outlier: 4.661A pdb=" N PHESP 119 " --> pdb=" O TYRSP 115 " (cutoff:3.500A) removed outlier: 4.612A pdb=" N SERSP 120 " --> pdb=" O LEUSP 116 " (cutoff:3.500A) removed outlier: 5.167A pdb=" N ILESP 121 " --> pdb=" O GLYSP 117 " (cutoff:3.500A) No H-bonds generated for 'chain 'SP' and resid 115 through 121' Processing helix chain 'SQ' and resid 44 through 53 removed outlier: 6.352A pdb=" N GLNSQ 48 " --> pdb=" O PROSQ 44 " (cutoff:3.500A) removed outlier: 5.695A pdb=" N TYRSQ 49 " --> pdb=" O ARGSQ 45 " (cutoff:3.500A) removed outlier: 5.793A pdb=" N LYSSQ 50 " --> pdb=" O THRSQ 46 " (cutoff:3.500A) removed outlier: 3.688A pdb=" N LEUSQ 51 " --> pdb=" O LEUSQ 47 " (cutoff:3.500A) removed outlier: 3.676A pdb=" N GLUSQ 53 " --> pdb=" O TYRSQ 49 " (cutoff:3.500A) Processing helix chain 'SQ' and resid 54 through 59 Processing helix chain 'SQ' and resid 60 through 65 removed outlier: 4.694A pdb=" N GLYSQ 65 " --> pdb=" O GLUSQ 61 " (cutoff:3.500A) Processing helix chain 'SQ' and resid 77 through 99 removed outlier: 3.851A pdb=" N ILESQ 81 " --> pdb=" O HISSQ 77 " (cutoff:3.500A) removed outlier: 3.538A pdb=" N TYRSQ 82 " --> pdb=" O VALSQ 78 " (cutoff:3.500A) removed outlier: 4.750A pdb=" N ALASQ 83 " --> pdb=" O ALASQ 79 " (cutoff:3.500A) removed outlier: 3.821A pdb=" N SERSQ 89 " --> pdb=" O ARGSQ 85 " (cutoff:3.500A) removed outlier: 3.898A pdb=" N LEUSQ 92 " --> pdb=" O ILESQ 88 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N VALSQ 93 " --> pdb=" O SERSQ 89 " (cutoff:3.500A) removed outlier: 3.661A pdb=" N LYSSQ 98 " --> pdb=" O ALASQ 94 " (cutoff:3.500A) Processing helix chain 'SQ' and resid 101 through 116 removed outlier: 3.721A pdb=" N GLUSQ 107 " --> pdb=" O ALASQ 103 " (cutoff:3.500A) removed outlier: 3.602A pdb=" N ILESQ 108 " --> pdb=" O SERSQ 104 " (cutoff:3.500A) removed outlier: 4.127A pdb=" N ILESQ 111 " --> pdb=" O GLUSQ 107 " (cutoff:3.500A) removed outlier: 3.938A pdb=" N GLNSQ 114 " --> pdb=" O ASPSQ 110 " (cutoff:3.500A) removed outlier: 4.697A pdb=" N ASPSQ 116 " --> pdb=" O LEUSQ 112 " (cutoff:3.500A) Processing helix chain 'SR' and resid 6 through 20 removed outlier: 4.129A pdb=" N ALASR 12 " --> pdb=" O THRSR 8 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N VALSR 15 " --> pdb=" O LYSSR 11 " (cutoff:3.500A) removed outlier: 4.123A pdb=" N ILESR 16 " --> pdb=" O ALASR 12 " (cutoff:3.500A) Processing helix chain 'SR' and resid 27 through 39 removed outlier: 3.857A pdb=" N ARGSR 33 " --> pdb=" O HISSR 29 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N GLUSR 36 " --> pdb=" O LYSSR 32 " (cutoff:3.500A) removed outlier: 3.502A pdb=" N GLUSR 37 " --> pdb=" O ARGSR 33 " (cutoff:3.500A) Processing helix chain 'SR' and resid 43 through 62 removed outlier: 3.527A pdb=" N TYRSR 53 " --> pdb=" O LYSSR 49 " (cutoff:3.500A) removed outlier: 3.653A pdb=" N HISSR 56 " --> pdb=" O GLYSR 52 " (cutoff:3.500A) removed outlier: 3.598A pdb=" N ARGSR 60 " --> pdb=" O HISSR 56 " (cutoff:3.500A) removed outlier: 4.291A pdb=" N GLNSR 62 " --> pdb=" O METSR 58 " (cutoff:3.500A) Processing helix chain 'SR' and resid 70 through 83 removed outlier: 3.866A pdb=" N GLNSR 74 " --> pdb=" O SERSR 70 " (cutoff:3.500A) removed outlier: 3.941A pdb=" N GLUSR 77 " --> pdb=" O LEUSR 73 " (cutoff:3.500A) removed outlier: 3.622A pdb=" N ARGSR 78 " --> pdb=" O GLNSR 74 " (cutoff:3.500A) removed outlier: 3.816A pdb=" N GLUSR 79 " --> pdb=" O GLUSR 75 " (cutoff:3.500A) removed outlier: 3.582A pdb=" N ARGSR 80 " --> pdb=" O GLUSR 76 " (cutoff:3.500A) removed outlier: 3.613A pdb=" N ASPSR 82 " --> pdb=" O ARGSR 78 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N ASNSR 83 " --> pdb=" O GLUSR 79 " (cutoff:3.500A) Processing helix chain 'SR' and resid 99 through 110 removed outlier: 3.520A pdb=" N LEUSR 108 " --> pdb=" O GLUSR 104 " (cutoff:3.500A) Processing helix chain 'SS' and resid 25 through 35 removed outlier: 3.681A pdb=" N ILESS 30 " --> pdb=" O ILESS 26 " (cutoff:3.500A) removed outlier: 4.750A pdb=" N THRSS 31 " --> pdb=" O ALASS 27 " (cutoff:3.500A) removed outlier: 4.581A pdb=" N ALASS 32 " --> pdb=" O PHESS 28 " (cutoff:3.500A) removed outlier: 4.751A pdb=" N ILESS 33 " --> pdb=" O ALASS 29 " (cutoff:3.500A) removed outlier: 5.722A pdb=" N LYSSS 34 " --> pdb=" O ILESS 30 " (cutoff:3.500A) removed outlier: 6.230A pdb=" N GLYSS 35 " --> pdb=" O THRSS 31 " (cutoff:3.500A) Processing helix chain 'SS' and resid 37 through 49 removed outlier: 3.636A pdb=" N HISSS 42 " --> pdb=" O ARGSS 38 " (cutoff:3.500A) removed outlier: 3.865A pdb=" N VALSS 43 " --> pdb=" O ARGSS 39 " (cutoff:3.500A) removed outlier: 3.716A pdb=" N ARGSS 46 " --> pdb=" O HISSS 42 " (cutoff:3.500A) removed outlier: 3.585A pdb=" N ALASS 48 " --> pdb=" O VALSS 44 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N ASPSS 49 " --> pdb=" O LEUSS 45 " (cutoff:3.500A) Processing helix chain 'SS' and resid 60 through 74 removed outlier: 4.380A pdb=" N ARGSS 66 " --> pdb=" O ASPSS 62 " (cutoff:3.500A) removed outlier: 3.871A pdb=" N ASNSS 73 " --> pdb=" O THRSS 69 " (cutoff:3.500A) Proline residue: SS 74 - end of helix Processing helix chain 'SS' and resid 100 through 118 removed outlier: 3.576A pdb=" N ASPSS 104 " --> pdb=" O ALASS 100 " (cutoff:3.500A) removed outlier: 3.914A pdb=" N ASPSS 110 " --> pdb=" O LYSSS 106 " (cutoff:3.500A) Processing helix chain 'SS' and resid 119 through 128 removed outlier: 3.504A pdb=" N ARGSS 124 " --> pdb=" O HISSS 120 " (cutoff:3.500A) removed outlier: 3.562A pdb=" N HISSS 125 " --> pdb=" O ARGSS 121 " (cutoff:3.500A) removed outlier: 4.680A pdb=" N GLYSS 128 " --> pdb=" O ARGSS 124 " (cutoff:3.500A) Processing helix chain 'SS' and resid 140 through 145 removed outlier: 4.077A pdb=" N ARGSS 144 " --> pdb=" O GLYSS 140 " (cutoff:3.500A) removed outlier: 5.049A pdb=" N THRSS 145 " --> pdb=" O ARGSS 141 " (cutoff:3.500A) No H-bonds generated for 'chain 'SS' and resid 140 through 145' Processing helix chain 'ST' and resid 5 through 10 removed outlier: 4.324A pdb=" N VALST 9 " --> pdb=" O THRST 5 " (cutoff:3.500A) removed outlier: 5.780A pdb=" N ASNST 10 " --> pdb=" O VALST 6 " (cutoff:3.500A) No H-bonds generated for 'chain 'ST' and resid 5 through 10' Processing helix chain 'ST' and resid 11 through 26 removed outlier: 3.732A pdb=" N ARGST 16 " --> pdb=" O GLNST 12 " (cutoff:3.500A) removed outlier: 3.519A pdb=" N ALAST 20 " --> pdb=" O ARGST 16 " (cutoff:3.500A) removed outlier: 3.597A pdb=" N SERST 25 " --> pdb=" O PHEST 21 " (cutoff:3.500A) removed outlier: 4.583A pdb=" N GLYST 26 " --> pdb=" O LEUST 22 " (cutoff:3.500A) Processing helix chain 'ST' and resid 51 through 67 removed outlier: 4.124A pdb=" N THRST 55 " --> pdb=" O ASNST 51 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N ALAST 61 " --> pdb=" O ALAST 57 " (cutoff:3.500A) Processing helix chain 'ST' and resid 71 through 80 Processing helix chain 'ST' and resid 96 through 111 removed outlier: 3.648A pdb=" N ALAST 100 " --> pdb=" O SERST 96 " (cutoff:3.500A) removed outlier: 4.037A pdb=" N ARGST 102 " --> pdb=" O SERST 98 " (cutoff:3.500A) removed outlier: 3.744A pdb=" N GLYST 109 " --> pdb=" O GLNST 105 " (cutoff:3.500A) removed outlier: 3.820A pdb=" N LEUST 110 " --> pdb=" O ALAST 106 " (cutoff:3.500A) Processing helix chain 'ST' and resid 124 through 144 removed outlier: 3.643A pdb=" N ARGST 129 " --> pdb=" O PROST 125 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N ASPST 130 " --> pdb=" O GLNST 126 " (cutoff:3.500A) removed outlier: 3.739A pdb=" N LYSST 143 " --> pdb=" O ALAST 139 " (cutoff:3.500A) removed outlier: 4.281A pdb=" N LYSST 144 " --> pdb=" O ALAST 140 " (cutoff:3.500A) Processing helix chain 'SU' and resid 28 through 47 removed outlier: 3.906A pdb=" N LYSSU 34 " --> pdb=" O LYSSU 30 " (cutoff:3.500A) removed outlier: 3.818A pdb=" N VALSU 35 " --> pdb=" O SERSU 31 " (cutoff:3.500A) removed outlier: 3.535A pdb=" N ALASU 37 " --> pdb=" O GLUSU 33 " (cutoff:3.500A) removed outlier: 3.854A pdb=" N LYSSU 46 " --> pdb=" O GLYSU 42 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N ASNSU 47 " --> pdb=" O ALASU 43 " (cutoff:3.500A) Processing helix chain 'SU' and resid 94 through 105 removed outlier: 4.122A pdb=" N VALSU 98 " --> pdb=" O PROSU 94 " (cutoff:3.500A) removed outlier: 4.612A pdb=" N LYSSU 99 " --> pdb=" O SERSU 95 " (cutoff:3.500A) removed outlier: 4.209A pdb=" N GLNSU 100 " --> pdb=" O GLUSU 96 " (cutoff:3.500A) removed outlier: 3.896A pdb=" N ILESU 101 " --> pdb=" O ILESU 97 " (cutoff:3.500A) removed outlier: 4.156A pdb=" N ILESU 104 " --> pdb=" O GLNSU 100 " (cutoff:3.500A) removed outlier: 5.203A pdb=" N SERSU 105 " --> pdb=" O ILESU 101 " (cutoff:3.500A) Processing helix chain 'SV' and resid 56 through 63 removed outlier: 3.504A pdb=" N GLYSV 63 " --> pdb=" O ILESV 59 " (cutoff:3.500A) Processing helix chain 'SV' and resid 64 through 77 removed outlier: 3.684A pdb=" N ALASV 75 " --> pdb=" O ARGSV 71 " (cutoff:3.500A) removed outlier: 4.141A pdb=" N ASPSV 76 " --> pdb=" O LEUSV 72 " (cutoff:3.500A) removed outlier: 5.731A pdb=" N GLYSV 77 " --> pdb=" O ALASV 73 " (cutoff:3.500A) Processing helix chain 'SX' and resid 9 through 24 removed outlier: 3.528A pdb=" N ARGSX 17 " --> pdb=" O LEUSX 13 " (cutoff:3.500A) removed outlier: 3.709A pdb=" N ASPSX 19 " --> pdb=" O SERSX 15 " (cutoff:3.500A) removed outlier: 4.444A pdb=" N TRPSX 22 " --> pdb=" O ARGSX 18 " (cutoff:3.500A) removed outlier: 5.133A pdb=" N HISSX 23 " --> pdb=" O ASPSX 19 " (cutoff:3.500A) removed outlier: 4.815A pdb=" N ASPSX 24 " --> pdb=" O GLNSX 20 " (cutoff:3.500A) Processing helix chain 'SX' and resid 25 through 32 removed outlier: 4.132A pdb=" N ALASX 30 " --> pdb=" O GLNSX 26 " (cutoff:3.500A) Processing helix chain 'SX' and resid 33 through 40 removed outlier: 3.907A pdb=" N LYSSX 37 " --> pdb=" O GLYSX 33 " (cutoff:3.500A) removed outlier: 3.762A pdb=" N ASNSX 39 " --> pdb=" O ALASX 35 " (cutoff:3.500A) Proline residue: SX 40 - end of helix Processing helix chain 'SX' and resid 89 through 94 removed outlier: 4.508A pdb=" N PHESX 93 " --> pdb=" O GLYSX 89 " (cutoff:3.500A) removed outlier: 4.532A pdb=" N ILESX 94 " --> pdb=" O CYSSX 90 " (cutoff:3.500A) No H-bonds generated for 'chain 'SX' and resid 89 through 94' Processing helix chain 'SX' and resid 129 through 136 removed outlier: 4.098A pdb=" N LEUSX 133 " --> pdb=" O SERSX 129 " (cutoff:3.500A) Processing helix chain 'Sa' and resid 46 through 57 removed outlier: 3.587A pdb=" N VALSa 50 " --> pdb=" O GLUSa 46 " (cutoff:3.500A) removed outlier: 5.756A pdb=" N ARGSa 51 " --> pdb=" O ALASa 47 " (cutoff:3.500A) removed outlier: 5.418A pdb=" N ASPSa 52 " --> pdb=" O ALASa 48 " (cutoff:3.500A) removed outlier: 4.555A pdb=" N ILESa 53 " --> pdb=" O ALASa 49 " (cutoff:3.500A) removed outlier: 5.207A pdb=" N GLUSa 55 " --> pdb=" O ARGSa 51 " (cutoff:3.500A) removed outlier: 4.479A pdb=" N ALASa 56 " --> pdb=" O ASPSa 52 " (cutoff:3.500A) Processing helix chain 'Sa' and resid 74 through 82 removed outlier: 3.856A pdb=" N SERSa 81 " --> pdb=" O CYSSa 77 " (cutoff:3.500A) Processing helix chain 'Sa' and resid 88 through 93 removed outlier: 4.505A pdb=" N LYSSa 93 " --> pdb=" O ARGSa 89 " (cutoff:3.500A) Processing helix chain 'Sd' and resid 4 through 9 removed outlier: 5.201A pdb=" N TRPSd 8 " --> pdb=" O GLNSd 4 " (cutoff:3.500A) removed outlier: 4.980A pdb=" N SERSd 9 " --> pdb=" O GLNSd 5 " (cutoff:3.500A) No H-bonds generated for 'chain 'Sd' and resid 4 through 9' Processing helix chain 'Sd' and resid 15 through 20 removed outlier: 4.076A pdb=" N ARGSd 19 " --> pdb=" O GLYSd 15 " (cutoff:3.500A) removed outlier: 6.055A pdb=" N SERSd 20 " --> pdb=" O GLNSd 16 " (cutoff:3.500A) No H-bonds generated for 'chain 'Sd' and resid 15 through 20' Processing helix chain 'Sd' and resid 39 through 51 removed outlier: 4.059A pdb=" N ARGSd 44 " --> pdb=" O ARGSd 40 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N GLNSd 45 " --> pdb=" O GLNSd 41 " (cutoff:3.500A) removed outlier: 3.811A pdb=" N TYRSd 46 " --> pdb=" O CYSSd 42 " (cutoff:3.500A) removed outlier: 5.655A pdb=" N LYSSd 48 " --> pdb=" O ARGSd 44 " (cutoff:3.500A) removed outlier: 5.295A pdb=" N ASPSd 49 " --> pdb=" O GLNSd 45 " (cutoff:3.500A) Processing helix chain 'SC' and resid 64 through 73 removed outlier: 4.309A pdb=" N LEUSC 69 " --> pdb=" O LYSSC 65 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N VALSC 70 " --> pdb=" O LEUSC 66 " (cutoff:3.500A) removed outlier: 3.598A pdb=" N LYSSC 71 " --> pdb=" O GLYSC 67 " (cutoff:3.500A) removed outlier: 4.169A pdb=" N ASPSC 72 " --> pdb=" O ARGSC 68 " (cutoff:3.500A) Processing helix chain 'SC' and resid 77 through 85 removed outlier: 4.399A pdb=" N ILESC 81 " --> pdb=" O SERSC 77 " (cutoff:3.500A) removed outlier: 4.192A pdb=" N PHESC 84 " --> pdb=" O GLUSC 80 " (cutoff:3.500A) Processing helix chain 'SC' and resid 90 through 98 removed outlier: 4.368A pdb=" N ILESC 94 " --> pdb=" O GLUSC 90 " (cutoff:3.500A) Processing helix chain 'SC' and resid 146 through 162 removed outlier: 3.578A pdb=" N ILESC 155 " --> pdb=" O ILESC 151 " (cutoff:3.500A) removed outlier: 3.795A pdb=" N ILESC 156 " --> pdb=" O ARGSC 152 " (cutoff:3.500A) removed outlier: 3.574A pdb=" N SERSC 161 " --> pdb=" O LEUSC 157 " (cutoff:3.500A) removed outlier: 4.029A pdb=" N ILESC 162 " --> pdb=" O ALASC 158 " (cutoff:3.500A) Processing helix chain 'SC' and resid 207 through 218 removed outlier: 3.986A pdb=" N LYSSC 212 " --> pdb=" O PROSC 208 " (cutoff:3.500A) removed outlier: 4.070A pdb=" N LEUSC 213 " --> pdb=" O VALSC 209 " (cutoff:3.500A) removed outlier: 3.696A pdb=" N METSC 216 " --> pdb=" O LYSSC 212 " (cutoff:3.500A) removed outlier: 3.530A pdb=" N ALASC 217 " --> pdb=" O LEUSC 213 " (cutoff:3.500A) removed outlier: 3.969A pdb=" N GLYSC 218 " --> pdb=" O LEUSC 214 " (cutoff:3.500A) Processing helix chain 'SC' and resid 232 through 251 removed outlier: 3.615A pdb=" N THRSC 240 " --> pdb=" O PHESC 236 " (cutoff:3.500A) removed outlier: 3.870A pdb=" N LYSSC 246 " --> pdb=" O ASPSC 242 " (cutoff:3.500A) removed outlier: 4.039A pdb=" N THRSC 247 " --> pdb=" O ALASC 243 " (cutoff:3.500A) removed outlier: 5.504A pdb=" N TYRSC 248 " --> pdb=" O ILESC 244 " (cutoff:3.500A) removed outlier: 5.304A pdb=" N SERSC 249 " --> pdb=" O SERSC 245 " (cutoff:3.500A) removed outlier: 6.330A pdb=" N LEUSC 251 " --> pdb=" O THRSC 247 " (cutoff:3.500A) Processing helix chain 'SC' and resid 252 through 257 removed outlier: 4.076A pdb=" N TRPSC 256 " --> pdb=" O THRSC 252 " (cutoff:3.500A) removed outlier: 5.613A pdb=" N LYSSC 257 " --> pdb=" O PROSC 253 " (cutoff:3.500A) No H-bonds generated for 'chain 'SC' and resid 252 through 257' Processing helix chain 'SC' and resid 264 through 270 removed outlier: 3.830A pdb=" N PHESC 269 " --> pdb=" O PROSC 265 " (cutoff:3.500A) removed outlier: 5.159A pdb=" N THRSC 270 " --> pdb=" O TYRSC 266 " (cutoff:3.500A) Processing helix chain 'SC' and resid 271 through 277 removed outlier: 3.571A pdb=" N LYSSC 275 " --> pdb=" O ASPSC 271 " (cutoff:3.500A) removed outlier: 3.697A pdb=" N THRSC 276 " --> pdb=" O HISSC 272 " (cutoff:3.500A) removed outlier: 3.698A pdb=" N HISSC 277 " --> pdb=" O LEUSC 273 " (cutoff:3.500A) No H-bonds generated for 'chain 'SC' and resid 271 through 277' Processing helix chain 'SG' and resid 20 through 26 removed outlier: 4.965A pdb=" N LEUSG 24 " --> pdb=" O ASPSG 20 " (cutoff:3.500A) removed outlier: 3.662A pdb=" N ARGSG 25 " --> pdb=" O GLUSG 21 " (cutoff:3.500A) removed outlier: 5.171A pdb=" N THRSG 26 " --> pdb=" O ARGSG 22 " (cutoff:3.500A) No H-bonds generated for 'chain 'SG' and resid 20 through 26' Processing helix chain 'SG' and resid 38 through 43 removed outlier: 5.472A pdb=" N GLYSG 42 " --> pdb=" O ALASG 38 " (cutoff:3.500A) removed outlier: 5.535A pdb=" N GLUSG 43 " --> pdb=" O ASPSG 39 " (cutoff:3.500A) No H-bonds generated for 'chain 'SG' and resid 38 through 43' Processing helix chain 'SG' and resid 137 through 146 removed outlier: 3.620A pdb=" N ILESG 141 " --> pdb=" O ARGSG 137 " (cutoff:3.500A) removed outlier: 5.035A pdb=" N ARGSG 142 " --> pdb=" O ALASG 138 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N ASNSG 146 " --> pdb=" O ARGSG 142 " (cutoff:3.500A) Processing helix chain 'SG' and resid 152 through 157 removed outlier: 4.445A pdb=" N TYRSG 156 " --> pdb=" O ASPSG 152 " (cutoff:3.500A) removed outlier: 3.818A pdb=" N VALSG 157 " --> pdb=" O VALSG 153 " (cutoff:3.500A) No H-bonds generated for 'chain 'SG' and resid 152 through 157' Processing helix chain 'SG' and resid 181 through 233 removed outlier: 3.667A pdb=" N LYSSG 195 " --> pdb=" O ARGSG 191 " (cutoff:3.500A) removed outlier: 3.909A pdb=" N THRSG 199 " --> pdb=" O LYSSG 195 " (cutoff:3.500A) removed outlier: 3.875A pdb=" N LYSSG 201 " --> pdb=" O GLNSG 197 " (cutoff:3.500A) removed outlier: 3.604A pdb=" N ASNSG 202 " --> pdb=" O ARGSG 198 " (cutoff:3.500A) removed outlier: 4.428A pdb=" N METSG 217 " --> pdb=" O LEUSG 213 " (cutoff:3.500A) removed outlier: 4.115A pdb=" N LYSSG 218 " --> pdb=" O ALASG 214 " (cutoff:3.500A) removed outlier: 3.549A pdb=" N GLUSG 219 " --> pdb=" O LYSSG 215 " (cutoff:3.500A) removed outlier: 6.127A pdb=" N ALASG 220 " --> pdb=" O ARGSG 216 " (cutoff:3.500A) removed outlier: 4.604A pdb=" N LYSSG 221 " --> pdb=" O METSG 217 " (cutoff:3.500A) removed outlier: 4.293A pdb=" N GLUSG 226 " --> pdb=" O GLUSG 222 " (cutoff:3.500A) removed outlier: 4.235A pdb=" N GLNSG 227 " --> pdb=" O LYSSG 223 " (cutoff:3.500A) removed outlier: 4.213A pdb=" N ILESG 228 " --> pdb=" O ARGSG 224 " (cutoff:3.500A) removed outlier: 4.569A pdb=" N LYSSG 230 " --> pdb=" O GLUSG 226 " (cutoff:3.500A) removed outlier: 4.872A pdb=" N ARGSG 231 " --> pdb=" O GLNSG 227 " (cutoff:3.500A) Processing helix chain 'SJ' and resid 21 through 36 removed outlier: 3.743A pdb=" N GLNSJ 27 " --> pdb=" O SERSJ 23 " (cutoff:3.500A) removed outlier: 3.647A pdb=" N LEUSJ 29 " --> pdb=" O LEUSJ 25 " (cutoff:3.500A) removed outlier: 3.574A pdb=" N LYSSJ 30 " --> pdb=" O ASPSJ 26 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N LEUSJ 31 " --> pdb=" O GLNSJ 27 " (cutoff:3.500A) removed outlier: 3.821A pdb=" N ILESJ 32 " --> pdb=" O GLUSJ 28 " (cutoff:3.500A) Processing helix chain 'SJ' and resid 39 through 64 removed outlier: 4.292A pdb=" N VALSJ 43 " --> pdb=" O ASNSJ 39 " (cutoff:3.500A) removed outlier: 4.080A pdb=" N VALSJ 46 " --> pdb=" O GLUSJ 42 " (cutoff:3.500A) removed outlier: 3.617A pdb=" N ALASJ 51 " --> pdb=" O LYSSJ 47 " (cutoff:3.500A) removed outlier: 3.849A pdb=" N GLUSJ 59 " --> pdb=" O LYSSJ 55 " (cutoff:3.500A) removed outlier: 3.670A pdb=" N LEUSJ 60 " --> pdb=" O ALASJ 56 " (cutoff:3.500A) removed outlier: 3.844A pdb=" N THRSJ 62 " --> pdb=" O ARGSJ 58 " (cutoff:3.500A) removed outlier: 5.186A pdb=" N ASPSJ 64 " --> pdb=" O LEUSJ 60 " (cutoff:3.500A) Processing helix chain 'SJ' and resid 67 through 85 removed outlier: 3.501A pdb=" N LEUSJ 71 " --> pdb=" O ASPSJ 67 " (cutoff:3.500A) removed outlier: 3.791A pdb=" N GLUSJ 73 " --> pdb=" O ARGSJ 69 " (cutoff:3.500A) removed outlier: 3.765A pdb=" N ASNSJ 75 " --> pdb=" O LEUSJ 71 " (cutoff:3.500A) removed outlier: 3.565A pdb=" N ILESJ 84 " --> pdb=" O ARGSJ 80 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N GLYSJ 85 " --> pdb=" O LEUSJ 81 " (cutoff:3.500A) Processing helix chain 'SJ' and resid 93 through 100 removed outlier: 4.334A pdb=" N ILESJ 97 " --> pdb=" O LYSSJ 93 " (cutoff:3.500A) removed outlier: 4.699A pdb=" N LEUSJ 98 " --> pdb=" O LEUSJ 94 " (cutoff:3.500A) removed outlier: 4.403A pdb=" N GLYSJ 99 " --> pdb=" O ASPSJ 95 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N LEUSJ 100 " --> pdb=" O TYRSJ 96 " (cutoff:3.500A) No H-bonds generated for 'chain 'SJ' and resid 93 through 100' Processing helix chain 'SJ' and resid 101 through 109 removed outlier: 3.799A pdb=" N PHESJ 105 " --> pdb=" O LYSSJ 101 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N GLUSJ 107 " --> pdb=" O GLUSJ 103 " (cutoff:3.500A) removed outlier: 3.872A pdb=" N ARGSJ 108 " --> pdb=" O ASPSJ 104 " (cutoff:3.500A) removed outlier: 4.029A pdb=" N ARGSJ 109 " --> pdb=" O PHESJ 105 " (cutoff:3.500A) Processing helix chain 'SJ' and resid 110 through 118 removed outlier: 4.888A pdb=" N LEUSJ 117 " --> pdb=" O GLNSJ 113 " (cutoff:3.500A) removed outlier: 4.345A pdb=" N GLYSJ 118 " --> pdb=" O VALSJ 114 " (cutoff:3.500A) Processing helix chain 'SJ' and resid 122 through 133 removed outlier: 4.084A pdb=" N ALASJ 126 " --> pdb=" O SERSJ 122 " (cutoff:3.500A) removed outlier: 3.640A pdb=" N ARGSJ 127 " --> pdb=" O ILESJ 123 " (cutoff:3.500A) removed outlier: 4.108A pdb=" N VALSJ 128 " --> pdb=" O HISSJ 124 " (cutoff:3.500A) removed outlier: 3.798A pdb=" N ARGSJ 133 " --> pdb=" O LEUSJ 129 " (cutoff:3.500A) Processing helix chain 'SJ' and resid 150 through 155 removed outlier: 5.382A pdb=" N LYSSJ 155 " --> pdb=" O LEUSJ 151 " (cutoff:3.500A) Processing helix chain 'SJ' and resid 171 through 185 removed outlier: 4.118A pdb=" N GLYSJ 181 " --> pdb=" O ASNSJ 177 " (cutoff:3.500A) removed outlier: 4.585A pdb=" N GLNSJ 182 " --> pdb=" O ALASJ 178 " (cutoff:3.500A) removed outlier: 6.265A pdb=" N GLYSJ 183 " --> pdb=" O LYSSJ 179 " (cutoff:3.500A) removed outlier: 4.949A pdb=" N GLYSJ 184 " --> pdb=" O LYSSJ 180 " (cutoff:3.500A) removed outlier: 4.329A pdb=" N ALASJ 185 " --> pdb=" O GLYSJ 181 " (cutoff:3.500A) Processing helix chain 'SM' and resid 11 through 29 removed outlier: 4.608A pdb=" N ASNSM 15 " --> pdb=" O VALSM 11 " (cutoff:3.500A) removed outlier: 4.618A pdb=" N THRSM 16 " --> pdb=" O METSM 12 " (cutoff:3.500A) removed outlier: 4.324A pdb=" N ALASM 17 " --> pdb=" O ASPSM 13 " (cutoff:3.500A) removed outlier: 4.099A pdb=" N GLUSM 20 " --> pdb=" O THRSM 16 " (cutoff:3.500A) removed outlier: 3.945A pdb=" N VALSM 21 " --> pdb=" O ALASM 17 " (cutoff:3.500A) removed outlier: 3.565A pdb=" N LEUSM 22 " --> pdb=" O LEUSM 18 " (cutoff:3.500A) removed outlier: 3.867A pdb=" N ALASM 25 " --> pdb=" O VALSM 21 " (cutoff:3.500A) removed outlier: 3.767A pdb=" N LEUSM 26 " --> pdb=" O LEUSM 22 " (cutoff:3.500A) removed outlier: 3.995A pdb=" N ILESM 27 " --> pdb=" O LYSSM 23 " (cutoff:3.500A) removed outlier: 4.949A pdb=" N HISSM 28 " --> pdb=" O THRSM 24 " (cutoff:3.500A) removed outlier: 4.315A pdb=" N ASPSM 29 " --> pdb=" O ALASM 25 " (cutoff:3.500A) Processing helix chain 'SM' and resid 35 through 45 removed outlier: 4.588A pdb=" N LYSSM 40 " --> pdb=" O ARGSM 36 " (cutoff:3.500A) removed outlier: 3.541A pdb=" N ALASM 41 " --> pdb=" O GLUSM 37 " (cutoff:3.500A) removed outlier: 3.621A pdb=" N LYSSM 44 " --> pdb=" O LYSSM 40 " (cutoff:3.500A) removed outlier: 5.147A pdb=" N ARGSM 45 " --> pdb=" O ALASM 41 " (cutoff:3.500A) Processing helix chain 'SM' and resid 58 through 73 removed outlier: 4.393A pdb=" N VALSM 62 " --> pdb=" O GLUSM 58 " (cutoff:3.500A) removed outlier: 3.537A pdb=" N LYSSM 63 " --> pdb=" O PROSM 59 " (cutoff:3.500A) removed outlier: 3.594A pdb=" N VALSM 65 " --> pdb=" O TYRSM 61 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N LEUSM 68 " --> pdb=" O LEUSM 64 " (cutoff:3.500A) removed outlier: 3.923A pdb=" N ALASM 70 " --> pdb=" O GLUSM 66 " (cutoff:3.500A) removed outlier: 5.352A pdb=" N GLUSM 71 " --> pdb=" O ALASM 67 " (cutoff:3.500A) removed outlier: 3.834A pdb=" N HISSM 72 " --> pdb=" O LEUSM 68 " (cutoff:3.500A) removed outlier: 4.125A pdb=" N GLNSM 73 " --> pdb=" O LEUSM 69 " (cutoff:3.500A) Processing helix chain 'SM' and resid 81 through 90 removed outlier: 4.214A pdb=" N LEUSM 85 " --> pdb=" O ASPSM 81 " (cutoff:3.500A) removed outlier: 3.599A pdb=" N GLYSM 86 " --> pdb=" O ASNSM 82 " (cutoff:3.500A) removed outlier: 4.277A pdb=" N GLUSM 87 " --> pdb=" O LYSSM 83 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N TRPSM 88 " --> pdb=" O LYSSM 84 " (cutoff:3.500A) Processing helix chain 'SM' and resid 119 through 132 removed outlier: 4.771A pdb=" N VALSM 123 " --> pdb=" O GLNSM 119 " (cutoff:3.500A) removed outlier: 3.551A pdb=" N PHESM 128 " --> pdb=" O ILESM 124 " (cutoff:3.500A) removed outlier: 3.651A pdb=" N LYSSM 131 " --> pdb=" O TYRSM 127 " (cutoff:3.500A) Processing helix chain 'SN' and resid 29 through 44 removed outlier: 4.393A pdb=" N VALSN 33 " --> pdb=" O THRSN 29 " (cutoff:3.500A) removed outlier: 4.714A pdb=" N LYSSN 34 " --> pdb=" O SERSN 30 " (cutoff:3.500A) removed outlier: 4.395A pdb=" N LYSSN 39 " --> pdb=" O GLUSN 35 " (cutoff:3.500A) removed outlier: 3.848A pdb=" N LYSSN 43 " --> pdb=" O LYSSN 39 " (cutoff:3.500A) removed outlier: 4.151A pdb=" N GLYSN 44 " --> pdb=" O LEUSN 40 " (cutoff:3.500A) Processing helix chain 'SN' and resid 46 through 57 removed outlier: 3.740A pdb=" N GLYSN 51 " --> pdb=" O PROSN 47 " (cutoff:3.500A) removed outlier: 3.984A pdb=" N VALSN 52 " --> pdb=" O SERSN 48 " (cutoff:3.500A) removed outlier: 3.740A pdb=" N ILESN 53 " --> pdb=" O GLNSN 49 " (cutoff:3.500A) Processing helix chain 'SN' and resid 62 through 67 removed outlier: 3.535A pdb=" N VALSN 66 " --> pdb=" O GLNSN 62 " (cutoff:3.500A) Processing helix chain 'SN' and resid 70 through 79 removed outlier: 3.875A pdb=" N SERSN 77 " --> pdb=" O ARGSN 73 " (cutoff:3.500A) removed outlier: 3.977A pdb=" N LYSSN 78 " --> pdb=" O ILESN 74 " (cutoff:3.500A) Processing helix chain 'SN' and resid 85 through 106 removed outlier: 4.017A pdb=" N HISSN 90 " --> pdb=" O GLUSN 86 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ARGSN 104 " --> pdb=" O LYSSN 100 " (cutoff:3.500A) removed outlier: 3.995A pdb=" N ARGSN 106 " --> pdb=" O LEUSN 102 " (cutoff:3.500A) Processing helix chain 'SN' and resid 108 through 133 removed outlier: 3.675A pdb=" N ILESN 116 " --> pdb=" O LYSSN 112 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N HISSN 123 " --> pdb=" O GLUSN 119 " (cutoff:3.500A) removed outlier: 3.697A pdb=" N ARGSN 127 " --> pdb=" O HISSN 123 " (cutoff:3.500A) removed outlier: 3.818A pdb=" N TYRSN 128 " --> pdb=" O ARGSN 124 " (cutoff:3.500A) removed outlier: 3.901A pdb=" N THRSN 131 " --> pdb=" O ARGSN 127 " (cutoff:3.500A) removed outlier: 3.617A pdb=" N ARGSN 133 " --> pdb=" O TYRSN 129 " (cutoff:3.500A) Processing helix chain 'SN' and resid 145 through 151 removed outlier: 3.954A pdb=" N LEUSN 149 " --> pdb=" O THRSN 145 " (cutoff:3.500A) removed outlier: 3.992A pdb=" N VALSN 150 " --> pdb=" O ALASN 146 " (cutoff:3.500A) removed outlier: 5.188A pdb=" N ALASN 151 " --> pdb=" O SERSN 147 " (cutoff:3.500A) No H-bonds generated for 'chain 'SN' and resid 145 through 151' Processing helix chain 'SO' and resid 57 through 63 removed outlier: 4.308A pdb=" N LYSSO 61 " --> pdb=" O THRSO 57 " (cutoff:3.500A) removed outlier: 4.581A pdb=" N VALSO 62 " --> pdb=" O GLYSO 58 " (cutoff:3.500A) removed outlier: 6.474A pdb=" N LYSSO 63 " --> pdb=" O GLYSO 59 " (cutoff:3.500A) No H-bonds generated for 'chain 'SO' and resid 57 through 63' Processing helix chain 'SO' and resid 64 through 69 removed outlier: 6.673A pdb=" N GLUSO 68 " --> pdb=" O ALASO 64 " (cutoff:3.500A) removed outlier: 6.586A pdb=" N SERSO 69 " --> pdb=" O ASPSO 65 " (cutoff:3.500A) No H-bonds generated for 'chain 'SO' and resid 64 through 69' Processing helix chain 'SO' and resid 70 through 89 removed outlier: 3.626A pdb=" N METSO 75 " --> pdb=" O PROSO 71 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N ALASO 82 " --> pdb=" O ALASO 78 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N ARGSO 84 " --> pdb=" O ASPSO 80 " (cutoff:3.500A) removed outlier: 3.582A pdb=" N GLUSO 87 " --> pdb=" O GLNSO 83 " (cutoff:3.500A) Processing helix chain 'SO' and resid 111 through 123 removed outlier: 3.926A pdb=" N ALASO 115 " --> pdb=" O GLYSO 111 " (cutoff:3.500A) removed outlier: 3.897A pdb=" N LEUSO 116 " --> pdb=" O ALASO 112 " (cutoff:3.500A) removed outlier: 3.598A pdb=" N LEUSO 119 " --> pdb=" O ALASO 115 " (cutoff:3.500A) removed outlier: 3.634A pdb=" N ARGSO 121 " --> pdb=" O ARGSO 117 " (cutoff:3.500A) removed outlier: 3.858A pdb=" N SERSO 122 " --> pdb=" O ALASO 118 " (cutoff:3.500A) removed outlier: 5.070A pdb=" N GLYSO 123 " --> pdb=" O LEUSO 119 " (cutoff:3.500A) Processing helix chain 'SW' and resid 5 through 21 removed outlier: 4.068A pdb=" N ASPSW 9 " --> pdb=" O ASNSW 5 " (cutoff:3.500A) removed outlier: 5.353A pdb=" N ASNSW 16 " --> pdb=" O LYSSW 12 " (cutoff:3.500A) removed outlier: 3.560A pdb=" N ALASW 17 " --> pdb=" O SERSW 13 " (cutoff:3.500A) removed outlier: 4.080A pdb=" N ARGSW 20 " --> pdb=" O ASNSW 16 " (cutoff:3.500A) Processing helix chain 'SW' and resid 31 through 45 removed outlier: 3.641A pdb=" N ARGSW 36 " --> pdb=" O LYSSW 32 " (cutoff:3.500A) removed outlier: 3.515A pdb=" N THRSW 39 " --> pdb=" O VALSW 35 " (cutoff:3.500A) removed outlier: 4.010A pdb=" N VALSW 40 " --> pdb=" O ARGSW 36 " (cutoff:3.500A) removed outlier: 4.650A pdb=" N LYSSW 43 " --> pdb=" O THRSW 39 " (cutoff:3.500A) removed outlier: 3.593A pdb=" N HISSW 44 " --> pdb=" O VALSW 40 " (cutoff:3.500A) Processing helix chain 'SW' and resid 83 through 93 removed outlier: 4.310A pdb=" N GLUSW 87 " --> pdb=" O LEUSW 83 " (cutoff:3.500A) removed outlier: 4.738A pdb=" N LYSSW 88 " --> pdb=" O LYSSW 84 " (cutoff:3.500A) removed outlier: 3.829A pdb=" N ASNSW 91 " --> pdb=" O GLUSW 87 " (cutoff:3.500A) removed outlier: 3.644A pdb=" N ASNSW 92 " --> pdb=" O LYSSW 88 " (cutoff:3.500A) Processing helix chain 'SW' and resid 112 through 120 removed outlier: 3.710A pdb=" N ARGSW 117 " --> pdb=" O HISSW 113 " (cutoff:3.500A) Processing helix chain 'SY' and resid 36 through 49 removed outlier: 3.954A pdb=" N GLUSY 42 " --> pdb=" O THRSY 38 " (cutoff:3.500A) removed outlier: 3.697A pdb=" N LYSSY 43 " --> pdb=" O GLUSY 39 " (cutoff:3.500A) removed outlier: 3.710A pdb=" N ALASY 45 " --> pdb=" O ARGSY 41 " (cutoff:3.500A) removed outlier: 4.339A pdb=" N LYSSY 46 " --> pdb=" O GLUSY 42 " (cutoff:3.500A) Processing helix chain 'SY' and resid 78 through 86 removed outlier: 3.633A pdb=" N LYSSY 84 " --> pdb=" O ASPSY 80 " (cutoff:3.500A) removed outlier: 4.712A pdb=" N GLUSY 86 " --> pdb=" O ALASY 82 " (cutoff:3.500A) Processing helix chain 'SY' and resid 87 through 95 removed outlier: 4.704A pdb=" N HISSY 94 " --> pdb=" O ARGSY 90 " (cutoff:3.500A) removed outlier: 4.262A pdb=" N GLYSY 95 " --> pdb=" O LEUSY 91 " (cutoff:3.500A) Processing helix chain 'SY' and resid 103 through 118 removed outlier: 4.048A pdb=" N LYSSY 116 " --> pdb=" O ASNSY 112 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N VALSY 117 " --> pdb=" O ARGSY 113 " (cutoff:3.500A) removed outlier: 5.328A pdb=" N ARGSY 118 " --> pdb=" O METSY 114 " (cutoff:3.500A) Processing helix chain 'SY' and resid 120 through 132 removed outlier: 4.444A pdb=" N VALSY 125 " --> pdb=" O ALASY 121 " (cutoff:3.500A) removed outlier: 6.635A pdb=" N GLYSY 128 " --> pdb=" O ASNSY 124 " (cutoff:3.500A) removed outlier: 6.607A pdb=" N LYSSY 129 " --> pdb=" O VALSY 125 " (cutoff:3.500A) removed outlier: 6.385A pdb=" N LYSSY 130 " --> pdb=" O GLYSY 126 " (cutoff:3.500A) Proline residue: SY 131 - end of helix Processing helix chain 'SZ' and resid 51 through 65 removed outlier: 3.651A pdb=" N LYSSZ 57 " --> pdb=" O ALASZ 53 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N LYSSZ 60 " --> pdb=" O ASPSZ 56 " (cutoff:3.500A) Proline residue: SZ 63 - end of helix Processing helix chain 'SZ' and resid 69 through 78 removed outlier: 3.653A pdb=" N SERSZ 74 " --> pdb=" O PROSZ 70 " (cutoff:3.500A) removed outlier: 3.798A pdb=" N GLUSZ 75 " --> pdb=" O ALASZ 71 " (cutoff:3.500A) removed outlier: 3.620A pdb=" N ARGSZ 76 " --> pdb=" O VALSZ 72 " (cutoff:3.500A) removed outlier: 3.764A pdb=" N LYSSZ 78 " --> pdb=" O SERSZ 74 " (cutoff:3.500A) Processing helix chain 'SZ' and resid 80 through 95 removed outlier: 6.724A pdb=" N ALASZ 84 " --> pdb=" O ARGSZ 80 " (cutoff:3.500A) removed outlier: 3.549A pdb=" N ARGSZ 85 " --> pdb=" O GLYSZ 81 " (cutoff:3.500A) removed outlier: 3.892A pdb=" N GLNSZ 89 " --> pdb=" O ARGSZ 85 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N GLUSZ 90 " --> pdb=" O ALASZ 86 " (cutoff:3.500A) removed outlier: 3.930A pdb=" N LEUSZ 92 " --> pdb=" O LEUSZ 88 " (cutoff:3.500A) removed outlier: 3.743A pdb=" N SERSZ 93 " --> pdb=" O GLNSZ 89 " (cutoff:3.500A) Processing helix chain 'Sb' and resid 11 through 19 removed outlier: 3.670A pdb=" N LYSSb 16 " --> pdb=" O PROSb 12 " (cutoff:3.500A) removed outlier: 3.592A pdb=" N ARGSb 17 " --> pdb=" O GLUSb 13 " (cutoff:3.500A) removed outlier: 5.723A pdb=" N HISSb 19 " --> pdb=" O GLUSb 15 " (cutoff:3.500A) Processing helix chain 'Se' and resid 10 through 16 removed outlier: 3.698A pdb=" N GLYSe 14 " --> pdb=" O GLYSe 10 " (cutoff:3.500A) Processing helix chain 'Se' and resid 30 through 42 removed outlier: 3.738A pdb=" N ARGSe 34 " --> pdb=" O GLYSe 30 " (cutoff:3.500A) removed outlier: 3.752A pdb=" N METSe 36 " --> pdb=" O ALASe 32 " (cutoff:3.500A) removed outlier: 3.521A pdb=" N ARGSe 40 " --> pdb=" O METSe 36 " (cutoff:3.500A) Processing helix chain 'Se' and resid 4 through 9 removed outlier: 4.254A pdb=" N ALASe 7 " --> pdb=" O GLYSe 4 " (cutoff:3.500A) removed outlier: 4.584A pdb=" N ARGSe 8 " --> pdb=" O SERSe 5 " (cutoff:3.500A) removed outlier: 4.061A pdb=" N ALASe 9 " --> pdb=" O LEUSe 6 " (cutoff:3.500A) No H-bonds generated for 'chain 'Se' and resid 4 through 9' Processing sheet with id= 1, first strand: chain 'LA' and resid 47 through 50 removed outlier: 6.636A pdb=" N LYSLA 60 " --> pdb=" O LYSLA 46 " (cutoff:3.500A) removed outlier: 7.445A pdb=" N GLYLA 99 " --> pdb=" O PHELA 87 " (cutoff:3.500A) removed outlier: 5.071A pdb=" N TYRLA 89 " --> pdb=" O GLYLA 99 " (cutoff:3.500A) Processing sheet with id= 2, first strand: chain 'LA' and resid 111 through 114 removed outlier: 4.317A pdb=" N THRLA 111 " --> pdb=" O VALLA 136 " (cutoff:3.500A) removed outlier: 6.812A pdb=" N ARGLA 147 " --> pdb=" O ILELA 137 " (cutoff:3.500A) removed outlier: 3.763A pdb=" N SERLA 154 " --> pdb=" O LEULA 150 " (cutoff:3.500A) Processing sheet with id= 3, first strand: chain 'LA' and resid 58 through 65 No H-bonds generated for sheet with id= 3 Processing sheet with id= 4, first strand: chain 'LB' and resid 53 through 59 removed outlier: 6.616A pdb=" N ILELB 78 " --> pdb=" O ALALB 51 " (cutoff:3.500A) removed outlier: 4.183A pdb=" N ARGLB 343 " --> pdb=" O LYSLB 50 " (cutoff:3.500A) removed outlier: 7.199A pdb=" N VALLB 344 " --> pdb=" O VALLB 222 " (cutoff:3.500A) removed outlier: 5.118A pdb=" N VALLB 222 " --> pdb=" O VALLB 344 " (cutoff:3.500A) Processing sheet with id= 5, first strand: chain 'LB' and resid 98 through 102 removed outlier: 6.926A pdb=" N GLYLB 91 " --> pdb=" O PHELB 102 " (cutoff:3.500A) removed outlier: 3.644A pdb=" N LYSLB 103 " --> pdb=" O GLYLB 91 " (cutoff:3.500A) Processing sheet with id= 6, first strand: chain 'LB' and resid 179 through 184 removed outlier: 4.957A pdb=" N HISLB 179 " --> pdb=" O THRLB 166 " (cutoff:3.500A) removed outlier: 6.728A pdb=" N ILELB 163 " --> pdb=" O VALLB 87 " (cutoff:3.500A) removed outlier: 4.039A pdb=" N GLNLB 203 " --> pdb=" O VALLB 86 " (cutoff:3.500A) Processing sheet with id= 7, first strand: chain 'LB' and resid 286 through 290 removed outlier: 3.703A pdb=" N LYSLB 286 " --> pdb=" O METLB 332 " (cutoff:3.500A) removed outlier: 4.208A pdb=" N PHELB 330 " --> pdb=" O GLYLB 288 " (cutoff:3.500A) removed outlier: 3.704A pdb=" N GLYLB 290 " --> pdb=" O ASNLB 328 " (cutoff:3.500A) removed outlier: 6.384A pdb=" N ASNLB 328 " --> pdb=" O GLYLB 290 " (cutoff:3.500A) Processing sheet with id= 8, first strand: chain 'LB' and resid 76 through 80 No H-bonds generated for sheet with id= 8 Processing sheet with id= 9, first strand: chain 'LB' and resid 88 through 93 Processing sheet with id= 10, first strand: chain 'LB' and resid 214 through 218 removed outlier: 4.466A pdb=" N GLULB 215 " --> pdb=" O ILELB 284 " (cutoff:3.500A) Processing sheet with id= 11, first strand: chain 'LC' and resid 226 through 231 removed outlier: 6.334A pdb=" N TYRLC 211 " --> pdb=" O LEULC 230 " (cutoff:3.500A) removed outlier: 5.147A pdb=" N PHELC 249 " --> pdb=" O GLYLC 206 " (cutoff:3.500A) Processing sheet with id= 12, first strand: chain 'LD' and resid 60 through 66 Processing sheet with id= 13, first strand: chain 'LE' and resid 149 through 153 removed outlier: 4.011A pdb=" N LYSLE 160 " --> pdb=" O ILELE 152 " (cutoff:3.500A) Processing sheet with id= 14, first strand: chain 'LE' and resid 165 through 169 removed outlier: 4.332A pdb=" N LYSLE 166 " --> pdb=" O LEULE 174 " (cutoff:3.500A) removed outlier: 4.914A pdb=" N LEULE 172 " --> pdb=" O LEULE 168 " (cutoff:3.500A) removed outlier: 3.686A pdb=" N GLYLE 177 " --> pdb=" O PROLE 185 " (cutoff:3.500A) Processing sheet with id= 15, first strand: chain 'LF' and resid 139 through 144 removed outlier: 7.802A pdb=" N TYRLF 139 " --> pdb=" O ILELF 95 " (cutoff:3.500A) removed outlier: 5.686A pdb=" N LYSLF 88 " --> pdb=" O LEULF 125 " (cutoff:3.500A) removed outlier: 4.763A pdb=" N ARGLF 94 " --> pdb=" O ASNLF 119 " (cutoff:3.500A) removed outlier: 4.067A pdb=" N ASNLF 119 " --> pdb=" O ARGLF 94 " (cutoff:3.500A) removed outlier: 6.113A pdb=" N PHELF 118 " --> pdb=" O LEULF 213 " (cutoff:3.500A) Processing sheet with id= 16, first strand: chain 'LG' and resid 180 through 185 Processing sheet with id= 17, first strand: chain 'LH' and resid 5 through 12 removed outlier: 6.408A pdb=" N SERLH 6 " --> pdb=" O LYSLH 59 " (cutoff:3.500A) removed outlier: 3.701A pdb=" N GLNLH 8 " --> pdb=" O VALLH 57 " (cutoff:3.500A) removed outlier: 3.813A pdb=" N VALLH 57 " --> pdb=" O GLNLH 8 " (cutoff:3.500A) removed outlier: 3.888A pdb=" N ILELH 12 " --> pdb=" O LYSLH 53 " (cutoff:3.500A) removed outlier: 5.363A pdb=" N LYSLH 53 " --> pdb=" O ILELH 12 " (cutoff:3.500A) removed outlier: 6.025A pdb=" N ARGLH 54 " --> pdb=" O LEULH 48 " (cutoff:3.500A) removed outlier: 3.934A pdb=" N GLULH 44 " --> pdb=" O ASPLH 58 " (cutoff:3.500A) Processing sheet with id= 18, first strand: chain 'LH' and resid 17 through 20 removed outlier: 3.984A pdb=" N ASPLH 17 " --> pdb=" O LYSLH 28 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N LYSLH 28 " --> pdb=" O ASPLH 17 " (cutoff:3.500A) Processing sheet with id= 19, first strand: chain 'LH' and resid 102 through 106 removed outlier: 6.334A pdb=" N ASNLH 102 " --> pdb=" O ARGLH 115 " (cutoff:3.500A) removed outlier: 4.237A pdb=" N LEULH 111 " --> pdb=" O GLNLH 106 " (cutoff:3.500A) removed outlier: 7.091A pdb=" N SERLH 110 " --> pdb=" O METLH 128 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N VALLH 112 " --> pdb=" O VALLH 126 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N VALLH 126 " --> pdb=" O VALLH 112 " (cutoff:3.500A) Processing sheet with id= 20, first strand: chain 'LH' and resid 132 through 136 removed outlier: 3.934A pdb=" N ALALH 133 " --> pdb=" O GLULH 147 " (cutoff:3.500A) removed outlier: 6.187A pdb=" N ASPLH 142 " --> pdb=" O SERLH 94 " (cutoff:3.500A) removed outlier: 3.504A pdb=" N LEULH 146 " --> pdb=" O TYRLH 90 " (cutoff:3.500A) removed outlier: 7.224A pdb=" N LYSLH 91 " --> pdb=" O SERLH 182 " (cutoff:3.500A) Processing sheet with id= 21, first strand: chain 'LH' and resid 87 through 91 No H-bonds generated for sheet with id= 21 Processing sheet with id= 22, first strand: chain 'LI' and resid 34 through 37 removed outlier: 6.431A pdb=" N PHELI 34 " --> pdb=" O VALLI 89 " (cutoff:3.500A) removed outlier: 5.669A pdb=" N ILELI 135 " --> pdb=" O ARGLI 90 " (cutoff:3.500A) removed outlier: 3.542A pdb=" N METLI 136 " --> pdb=" O METLI 52 " (cutoff:3.500A) removed outlier: 5.531A pdb=" N GLYLI 49 " --> pdb=" O SERLI 168 " (cutoff:3.500A) removed outlier: 4.673A pdb=" N ARGLI 162 " --> pdb=" O ASPLI 55 " (cutoff:3.500A) Processing sheet with id= 23, first strand: chain 'LI' and resid 56 through 59 removed outlier: 6.502A pdb=" N ILELI 97 " --> pdb=" O GLNLI 123 " (cutoff:3.500A) removed outlier: 4.390A pdb=" N THRLI 125 " --> pdb=" O HISLI 95 " (cutoff:3.500A) removed outlier: 6.487A pdb=" N HISLI 95 " --> pdb=" O THRLI 125 " (cutoff:3.500A) Processing sheet with id= 24, first strand: chain 'LI' and resid 189 through 192 removed outlier: 5.113A pdb=" N CYSLI 189 " --> pdb=" O VALLI 200 " (cutoff:3.500A) Processing sheet with id= 25, first strand: chain 'LJ' and resid 48 through 52 removed outlier: 5.201A pdb=" N ILELJ 68 " --> pdb=" O VALLJ 26 " (cutoff:3.500A) removed outlier: 3.581A pdb=" N CYSLJ 72 " --> pdb=" O LEULJ 22 " (cutoff:3.500A) removed outlier: 5.900A pdb=" N VALLJ 74 " --> pdb=" O LEULJ 20 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N LYSLJ 19 " --> pdb=" O VALLJ 133 " (cutoff:3.500A) removed outlier: 4.126A pdb=" N CYSLJ 21 " --> pdb=" O TYRLJ 131 " (cutoff:3.500A) removed outlier: 3.568A pdb=" N TYRLJ 131 " --> pdb=" O CYSLJ 21 " (cutoff:3.500A) removed outlier: 5.443A pdb=" N CYSLJ 25 " --> pdb=" O GLYLJ 127 " (cutoff:3.500A) removed outlier: 7.098A pdb=" N GLYLJ 127 " --> pdb=" O CYSLJ 25 " (cutoff:3.500A) removed outlier: 3.574A pdb=" N PHELJ 105 " --> pdb=" O VALLJ 132 " (cutoff:3.500A) Processing sheet with id= 26, first strand: chain 'LL' and resid 57 through 60 Processing sheet with id= 27, first strand: chain 'LM' and resid 11 through 16 removed outlier: 4.394A pdb=" N ARGLM 11 " --> pdb=" O ILELM 27 " (cutoff:3.500A) removed outlier: 4.140A pdb=" N LYSLM 23 " --> pdb=" O VALLM 15 " (cutoff:3.500A) Processing sheet with id= 28, first strand: chain 'LM' and resid 28 through 31 Processing sheet with id= 29, first strand: chain 'LN' and resid 35 through 39 removed outlier: 6.107A pdb=" N ALALN 35 " --> pdb=" O ARGLN 65 " (cutoff:3.500A) removed outlier: 4.243A pdb=" N ILELN 61 " --> pdb=" O ALALN 39 " (cutoff:3.500A) removed outlier: 6.609A pdb=" N ILELN 133 " --> pdb=" O LEULN 116 " (cutoff:3.500A) Processing sheet with id= 30, first strand: chain 'LN' and resid 117 through 121 removed outlier: 6.382A pdb=" N PHELN 129 " --> pdb=" O VALLN 121 " (cutoff:3.500A) Processing sheet with id= 31, first strand: chain 'LO' and resid 6 through 10 Processing sheet with id= 32, first strand: chain 'LP' and resid 16 through 20 removed outlier: 6.659A pdb=" N SERLP 111 " --> pdb=" O LYSLP 153 " (cutoff:3.500A) Processing sheet with id= 33, first strand: chain 'LP' and resid 116 through 122 Processing sheet with id= 34, first strand: chain 'LP' and resid 124 through 132 removed outlier: 3.994A pdb=" N ARGLP 127 " --> pdb=" O TYRLP 139 " (cutoff:3.500A) removed outlier: 4.008A pdb=" N ARGLP 135 " --> pdb=" O ARGLP 131 " (cutoff:3.500A) Processing sheet with id= 35, first strand: chain 'LQ' and resid 118 through 121 removed outlier: 3.660A pdb=" N ALALQ 102 " --> pdb=" O LEULQ 121 " (cutoff:3.500A) removed outlier: 5.084A pdb=" N LYSLQ 99 " --> pdb=" O LYSLQ 78 " (cutoff:3.500A) Processing sheet with id= 36, first strand: chain 'LS' and resid 27 through 33 removed outlier: 4.786A pdb=" N GLULS 9 " --> pdb=" O VALLS 67 " (cutoff:3.500A) Processing sheet with id= 37, first strand: chain 'LS' and resid 91 through 98 removed outlier: 3.946A pdb=" N ASNLS 77 " --> pdb=" O ILELS 132 " (cutoff:3.500A) Processing sheet with id= 38, first strand: chain 'LT' and resid 40 through 43 removed outlier: 3.902A pdb=" N LYSLT 60 " --> pdb=" O ILELT 42 " (cutoff:3.500A) Processing sheet with id= 39, first strand: chain 'LT' and resid 72 through 79 Processing sheet with id= 40, first strand: chain 'LU' and resid 61 through 65 removed outlier: 4.128A pdb=" N THRLU 73 " --> pdb=" O THRLU 62 " (cutoff:3.500A) removed outlier: 3.677A pdb=" N GLULU 64 " --> pdb=" O THRLU 71 " (cutoff:3.500A) removed outlier: 4.049A pdb=" N THRLU 71 " --> pdb=" O GLULU 64 " (cutoff:3.500A) removed outlier: 3.926A pdb=" N VALLU 72 " --> pdb=" O PHELU 21 " (cutoff:3.500A) removed outlier: 4.637A pdb=" N PHELU 21 " --> pdb=" O VALLU 72 " (cutoff:3.500A) removed outlier: 6.089A pdb=" N SERLU 74 " --> pdb=" O LEULU 19 " (cutoff:3.500A) removed outlier: 4.681A pdb=" N LEULU 19 " --> pdb=" O SERLU 74 " (cutoff:3.500A) removed outlier: 3.615A pdb=" N ARGLU 101 " --> pdb=" O ARGLU 113 " (cutoff:3.500A) removed outlier: 7.853A pdb=" N TRPLU 99 " --> pdb=" O PHELU 115 " (cutoff:3.500A) Processing sheet with id= 41, first strand: chain 'LV' and resid 82 through 85 removed outlier: 3.611A pdb=" N ARGLV 83 " --> pdb=" O ALALV 102 " (cutoff:3.500A) removed outlier: 4.547A pdb=" N ARGLV 85 " --> pdb=" O ASPLV 100 " (cutoff:3.500A) removed outlier: 7.346A pdb=" N ASPLV 100 " --> pdb=" O ARGLV 85 " (cutoff:3.500A) removed outlier: 7.077A pdb=" N ASNLV 101 " --> pdb=" O VALLV 25 " (cutoff:3.500A) removed outlier: 4.091A pdb=" N ALALV 24 " --> pdb=" O ILELV 39 " (cutoff:3.500A) removed outlier: 5.212A pdb=" N LYSLV 35 " --> pdb=" O CYSLV 28 " (cutoff:3.500A) removed outlier: 6.794A pdb=" N METLV 62 " --> pdb=" O ILELV 40 " (cutoff:3.500A) Processing sheet with id= 42, first strand: chain 'LV' and resid 87 through 90 removed outlier: 5.610A pdb=" N VALLV 94 " --> pdb=" O ARGLV 90 " (cutoff:3.500A) Processing sheet with id= 43, first strand: chain 'LV' and resid 78 through 81 Processing sheet with id= 44, first strand: chain 'LW' and resid 18 through 22 Processing sheet with id= 45, first strand: chain 'LX' and resid 95 through 100 removed outlier: 3.707A pdb=" N LYSLX 134 " --> pdb=" O VALLX 100 " (cutoff:3.500A) removed outlier: 4.591A pdb=" N GLULX 133 " --> pdb=" O ARGLX 129 " (cutoff:3.500A) removed outlier: 3.611A pdb=" N LYSLX 123 " --> pdb=" O ARGLX 139 " (cutoff:3.500A) Processing sheet with id= 46, first strand: chain 'LY' and resid 53 through 56 removed outlier: 4.337A pdb=" N ASPLY 53 " --> pdb=" O VALLY 70 " (cutoff:3.500A) Processing sheet with id= 47, first strand: chain 'LY' and resid 71 through 75 removed outlier: 3.515A pdb=" N GLNLY 72 " --> pdb=" O TYRLY 81 " (cutoff:3.500A) Processing sheet with id= 48, first strand: chain 'LZ' and resid 10 through 13 removed outlier: 4.163A pdb=" N ARGLZ 21 " --> pdb=" O VALLZ 13 " (cutoff:3.500A) Processing sheet with id= 49, first strand: chain 'LZ' and resid 27 through 30 removed outlier: 6.571A pdb=" N HISLZ 40 " --> pdb=" O ILELZ 29 " (cutoff:3.500A) Processing sheet with id= 50, first strand: chain 'Lc' and resid 26 through 29 removed outlier: 6.600A pdb=" N LYSLc 26 " --> pdb=" O ILELc 97 " (cutoff:3.500A) removed outlier: 3.953A pdb=" N LEULc 45 " --> pdb=" O ILELc 96 " (cutoff:3.500A) removed outlier: 3.942A pdb=" N GLYLc 70 " --> pdb=" O LYSLc 44 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N ASNLc 50 " --> pdb=" O TYRLc 74 " (cutoff:3.500A) Processing sheet with id= 51, first strand: chain 'Ld' and resid 61 through 64 removed outlier: 5.908A pdb=" N ASPLd 61 " --> pdb=" O LEULd 102 " (cutoff:3.500A) removed outlier: 3.709A pdb=" N THRLd 104 " --> pdb=" O ASPLd 61 " (cutoff:3.500A) removed outlier: 4.594A pdb=" N VALLd 21 " --> pdb=" O ARGLd 90 " (cutoff:3.500A) removed outlier: 5.045A pdb=" N THRLd 22 " --> pdb=" O VALLd 122 " (cutoff:3.500A) Processing sheet with id= 52, first strand: chain 'Le' and resid 74 through 80 Processing sheet with id= 53, first strand: chain 'Lf' and resid 66 through 74 removed outlier: 5.874A pdb=" N LYSLf 66 " --> pdb=" O ALALf 53 " (cutoff:3.500A) removed outlier: 4.582A pdb=" N LYSLf 45 " --> pdb=" O VALLf 74 " (cutoff:3.500A) removed outlier: 6.218A pdb=" N ARGLf 46 " --> pdb=" O METLf 104 " (cutoff:3.500A) removed outlier: 4.930A pdb=" N VALLf 50 " --> pdb=" O ARGLf 100 " (cutoff:3.500A) removed outlier: 6.783A pdb=" N ARGLf 100 " --> pdb=" O VALLf 50 " (cutoff:3.500A) removed outlier: 13.477A pdb=" N LYSLf 52 " --> pdb=" O GLYLf 98 " (cutoff:3.500A) removed outlier: 15.136A pdb=" N GLYLf 98 " --> pdb=" O LYSLf 52 " (cutoff:3.500A) removed outlier: 4.429A pdb=" N HISLf 99 " --> pdb=" O PHELf 11 " (cutoff:3.500A) removed outlier: 6.806A pdb=" N LEULf 27 " --> pdb=" O ALALf 12 " (cutoff:3.500A) Processing sheet with id= 54, first strand: chain 'Lg' and resid 20 through 24 Processing sheet with id= 55, first strand: chain 'Lk' and resid 2 through 5 removed outlier: 4.005A pdb=" N SERLk 22 " --> pdb=" O ARGLk 37 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N LEULk 69 " --> pdb=" O ILELk 25 " (cutoff:3.500A) removed outlier: 7.731A pdb=" N LYSLk 27 " --> pdb=" O LEULk 69 " (cutoff:3.500A) Processing sheet with id= 56, first strand: chain 'Lm' and resid 100 through 104 removed outlier: 4.209A pdb=" N ALALm 101 " --> pdb=" O CYSLm 96 " (cutoff:3.500A) removed outlier: 5.724A pdb=" N LYSLm 93 " --> pdb=" O LYSLm 124 " (cutoff:3.500A) Processing sheet with id= 57, first strand: chain 'Lo' and resid 21 through 26 No H-bonds generated for sheet with id= 57 Processing sheet with id= 58, first strand: chain 'Lp' and resid 47 through 50 removed outlier: 7.006A pdb=" N ILELp 54 " --> pdb=" O ARGLp 50 " (cutoff:3.500A) removed outlier: 5.044A pdb=" N GLYLp 53 " --> pdb=" O GLYLp 66 " (cutoff:3.500A) removed outlier: 3.766A pdb=" N LYSLp 62 " --> pdb=" O CYSLp 57 " (cutoff:3.500A) Processing sheet with id= 59, first strand: chain 'Lr' and resid 48 through 53 removed outlier: 5.545A pdb=" N THRLr 48 " --> pdb=" O LYSLr 65 " (cutoff:3.500A) removed outlier: 3.610A pdb=" N LYSLr 65 " --> pdb=" O THRLr 48 " (cutoff:3.500A) removed outlier: 6.314A pdb=" N SERLr 76 " --> pdb=" O ARGLr 66 " (cutoff:3.500A) Processing sheet with id= 60, first strand: chain 'Lz' and resid 166 through 170 removed outlier: 3.769A pdb=" N VALLz 169 " --> pdb=" O VALLz 32 " (cutoff:3.500A) removed outlier: 6.749A pdb=" N VALLz 32 " --> pdb=" O VALLz 169 " (cutoff:3.500A) Processing sheet with id= 61, first strand: chain 'SA' and resid 96 through 100 Processing sheet with id= 62, first strand: chain 'SB' and resid 44 through 48 removed outlier: 3.809A pdb=" N GLYSB 45 " --> pdb=" O VALSB 33 " (cutoff:3.500A) removed outlier: 3.694A pdb=" N THRSB 98 " --> pdb=" O LYSSB 34 " (cutoff:3.500A) Processing sheet with id= 63, first strand: chain 'SB' and resid 65 through 69 removed outlier: 4.794A pdb=" N ARGSB 65 " --> pdb=" O THRSB 88 " (cutoff:3.500A) removed outlier: 4.560A pdb=" N LEUSB 86 " --> pdb=" O PHESB 67 " (cutoff:3.500A) removed outlier: 8.930A pdb=" N HISSB 101 " --> pdb=" O METSB 217 " (cutoff:3.500A) removed outlier: 4.000A pdb=" N METSB 217 " --> pdb=" O HISSB 101 " (cutoff:3.500A) removed outlier: 8.508A pdb=" N ARGSB 213 " --> pdb=" O LEUSB 105 " (cutoff:3.500A) removed outlier: 3.764A pdb=" N LYSSB 214 " --> pdb=" O PHESB 138 " (cutoff:3.500A) removed outlier: 6.911A pdb=" N LEUSB 134 " --> pdb=" O LEUSB 218 " (cutoff:3.500A) removed outlier: 3.695A pdb=" N VALSB 127 " --> pdb=" O LEUSB 135 " (cutoff:3.500A) removed outlier: 5.130A pdb=" N THRSB 119 " --> pdb=" O THRSB 143 " (cutoff:3.500A) Processing sheet with id= 64, first strand: chain 'SD' and resid 46 through 53 removed outlier: 3.986A pdb=" N GLUSD 85 " --> pdb=" O THRSD 46 " (cutoff:3.500A) removed outlier: 3.517A pdb=" N ILESD 50 " --> pdb=" O TYRSD 87 " (cutoff:3.500A) removed outlier: 4.218A pdb=" N ALASD 52 " --> pdb=" O GLUSD 89 " (cutoff:3.500A) removed outlier: 3.886A pdb=" N VALSD 91 " --> pdb=" O ALASD 52 " (cutoff:3.500A) Processing sheet with id= 65, first strand: chain 'SD' and resid 148 through 153 removed outlier: 4.139A pdb=" N VALSD 136 " --> pdb=" O PHESD 152 " (cutoff:3.500A) removed outlier: 4.353A pdb=" N GLYSD 180 " --> pdb=" O LEUSD 177 " (cutoff:3.500A) Processing sheet with id= 66, first strand: chain 'SE' and resid 87 through 92 removed outlier: 4.251A pdb=" N ASPSE 88 " --> pdb=" O LEUSE 101 " (cutoff:3.500A) removed outlier: 3.529A pdb=" N ILESE 90 " --> pdb=" O PHESE 99 " (cutoff:3.500A) removed outlier: 6.396A pdb=" N ILESE 92 " --> pdb=" O GLUSE 97 " (cutoff:3.500A) removed outlier: 6.114A pdb=" N GLUSE 97 " --> pdb=" O ILESE 92 " (cutoff:3.500A) Processing sheet with id= 67, first strand: chain 'SE' and resid 123 through 127 removed outlier: 3.952A pdb=" N ASPSE 158 " --> pdb=" O VALSE 126 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N ASPSE 171 " --> pdb=" O GLNSE 161 " (cutoff:3.500A) Processing sheet with id= 68, first strand: chain 'SE' and resid 128 through 133 removed outlier: 6.616A pdb=" N LYSSE 128 " --> pdb=" O LEUSE 139 " (cutoff:3.500A) removed outlier: 4.463A pdb=" N LEUSE 139 " --> pdb=" O LYSSE 128 " (cutoff:3.500A) removed outlier: 6.991A pdb=" N PHESE 130 " --> pdb=" O PROSE 137 " (cutoff:3.500A) removed outlier: 6.110A pdb=" N GLYSE 132 " --> pdb=" O GLYSE 135 " (cutoff:3.500A) removed outlier: 5.170A pdb=" N ARGSE 145 " --> pdb=" O THRSE 141 " (cutoff:3.500A) Processing sheet with id= 69, first strand: chain 'SE' and resid 180 through 183 removed outlier: 4.258A pdb=" N ARGSE 191 " --> pdb=" O VALSE 183 " (cutoff:3.500A) Processing sheet with id= 70, first strand: chain 'SE' and resid 196 through 200 removed outlier: 3.598A pdb=" N VALSE 207 " --> pdb=" O GLUSE 199 " (cutoff:3.500A) removed outlier: 4.694A pdb=" N ASNSE 216 " --> pdb=" O ASPSE 212 " (cutoff:3.500A) Processing sheet with id= 71, first strand: chain 'SF' and resid 122 through 125 removed outlier: 7.009A pdb=" N ARGSF 122 " --> pdb=" O VALSF 141 " (cutoff:3.500A) removed outlier: 4.372A pdb=" N VALSF 141 " --> pdb=" O ARGSF 122 " (cutoff:3.500A) Processing sheet with id= 72, first strand: chain 'SH' and resid 46 through 50 removed outlier: 3.504A pdb=" N ALASH 47 " --> pdb=" O PHESH 63 " (cutoff:3.500A) Processing sheet with id= 73, first strand: chain 'SH' and resid 141 through 147 removed outlier: 4.322A pdb=" N GLYSH 141 " --> pdb=" O HISSH 157 " (cutoff:3.500A) removed outlier: 3.546A pdb=" N LYSSH 155 " --> pdb=" O ARGSH 143 " (cutoff:3.500A) removed outlier: 4.720A pdb=" N SERSH 151 " --> pdb=" O LYSSH 147 " (cutoff:3.500A) Processing sheet with id= 74, first strand: chain 'SI' and resid 42 through 48 removed outlier: 6.372A pdb=" N ARGSI 42 " --> pdb=" O LEUSI 58 " (cutoff:3.500A) removed outlier: 3.823A pdb=" N ASNSI 52 " --> pdb=" O VALSI 48 " (cutoff:3.500A) Processing sheet with id= 75, first strand: chain 'SI' and resid 71 through 76 removed outlier: 6.266A pdb=" N CYSSI 72 " --> pdb=" O TRPSI 67 " (cutoff:3.500A) removed outlier: 4.244A pdb=" N GLYSI 187 " --> pdb=" O ASNSI 64 " (cutoff:3.500A) removed outlier: 6.093A pdb=" N GLYSI 68 " --> pdb=" O VALSI 189 " (cutoff:3.500A) removed outlier: 6.644A pdb=" N ASPSI 186 " --> pdb=" O ALASI 176 " (cutoff:3.500A) removed outlier: 6.898A pdb=" N ILESI 101 " --> pdb=" O VALSI 82 " (cutoff:3.500A) Processing sheet with id= 76, first strand: chain 'SK' and resid 20 through 24 removed outlier: 3.805A pdb=" N METSK 21 " --> pdb=" O TRPSK 69 " (cutoff:3.500A) removed outlier: 4.554A pdb=" N ALASK 23 " --> pdb=" O PHESK 67 " (cutoff:3.500A) Processing sheet with id= 77, first strand: chain 'SL' and resid 71 through 75 removed outlier: 5.442A pdb=" N ARGSL 71 " --> pdb=" O GLUSL 130 " (cutoff:3.500A) removed outlier: 6.657A pdb=" N THRSL 127 " --> pdb=" O LEUSL 143 " (cutoff:3.500A) Processing sheet with id= 78, first strand: chain 'SL' and resid 84 through 97 removed outlier: 6.219A pdb=" N THRSL 85 " --> pdb=" O HISSL 112 " (cutoff:3.500A) removed outlier: 6.560A pdb=" N HISSL 112 " --> pdb=" O THRSL 85 " (cutoff:3.500A) removed outlier: 6.656A pdb=" N VALSL 87 " --> pdb=" O SERSL 110 " (cutoff:3.500A) removed outlier: 6.713A pdb=" N SERSL 110 " --> pdb=" O VALSL 87 " (cutoff:3.500A) removed outlier: 6.493A pdb=" N ARGSL 89 " --> pdb=" O ASNSL 108 " (cutoff:3.500A) removed outlier: 6.306A pdb=" N ASNSL 108 " --> pdb=" O ARGSL 89 " (cutoff:3.500A) removed outlier: 6.529A pdb=" N ASPSL 91 " --> pdb=" O HISSL 106 " (cutoff:3.500A) removed outlier: 6.484A pdb=" N HISSL 106 " --> pdb=" O ASPSL 91 " (cutoff:3.500A) removed outlier: 6.768A pdb=" N LEUSL 93 " --> pdb=" O LYSSL 104 " (cutoff:3.500A) removed outlier: 6.635A pdb=" N LYSSL 104 " --> pdb=" O LEUSL 93 " (cutoff:3.500A) removed outlier: 6.601A pdb=" N TYRSL 95 " --> pdb=" O PHESL 102 " (cutoff:3.500A) removed outlier: 6.862A pdb=" N PHESL 102 " --> pdb=" O TYRSL 95 " (cutoff:3.500A) removed outlier: 7.121A pdb=" N ARGSL 97 " --> pdb=" O ASNSL 100 " (cutoff:3.500A) Processing sheet with id= 79, first strand: chain 'SL' and resid 124 through 127 Processing sheet with id= 80, first strand: chain 'SP' and resid 75 through 79 removed outlier: 4.287A pdb=" N SERSP 92 " --> pdb=" O ILESP 107 " (cutoff:3.500A) Processing sheet with id= 81, first strand: chain 'SQ' and resid 8 through 15 removed outlier: 7.138A pdb=" N GLNSQ 8 " --> pdb=" O ARGSQ 27 " (cutoff:3.500A) removed outlier: 3.601A pdb=" N VALSQ 10 " --> pdb=" O CYSSQ 25 " (cutoff:3.500A) removed outlier: 3.655A pdb=" N VALSQ 12 " --> pdb=" O ALASQ 23 " (cutoff:3.500A) removed outlier: 3.508A pdb=" N LYSSQ 73 " --> pdb=" O THRSQ 20 " (cutoff:3.500A) removed outlier: 3.855A pdb=" N LYSSQ 26 " --> pdb=" O ASPSQ 67 " (cutoff:3.500A) removed outlier: 3.518A pdb=" N LEUSQ 31 " --> pdb=" O VALSQ 66 " (cutoff:3.500A) Processing sheet with id= 82, first strand: chain 'ST' and resid 81 through 84 Processing sheet with id= 83, first strand: chain 'SU' and resid 53 through 56 removed outlier: 4.962A pdb=" N LYSSU 86 " --> pdb=" O METSU 56 " (cutoff:3.500A) removed outlier: 3.785A pdb=" N ILESU 20 " --> pdb=" O LEUSU 91 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N SERSU 93 " --> pdb=" O HISSU 18 " (cutoff:3.500A) removed outlier: 5.230A pdb=" N ARGSU 19 " --> pdb=" O ALASU 117 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N ALASU 117 " --> pdb=" O ARGSU 19 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N ARGSU 21 " --> pdb=" O THRSU 115 " (cutoff:3.500A) removed outlier: 3.583A pdb=" N THRSU 25 " --> pdb=" O GLUSU 111 " (cutoff:3.500A) Processing sheet with id= 84, first strand: chain 'SU' and resid 58 through 66 removed outlier: 3.646A pdb=" N ILESU 63 " --> pdb=" O PHESU 80 " (cutoff:3.500A) Processing sheet with id= 85, first strand: chain 'SV' and resid 15 through 18 removed outlier: 4.289A pdb=" N ARGSV 15 " --> pdb=" O ILESV 24 " (cutoff:3.500A) removed outlier: 4.225A pdb=" N ARGSV 22 " --> pdb=" O CYSSV 17 " (cutoff:3.500A) Processing sheet with id= 86, first strand: chain 'SV' and resid 32 through 38 removed outlier: 5.287A pdb=" N GLNSV 49 " --> pdb=" O GLUSV 38 " (cutoff:3.500A) Processing sheet with id= 87, first strand: chain 'SX' and resid 46 through 49 Processing sheet with id= 88, first strand: chain 'SX' and resid 53 through 59 removed outlier: 4.234A pdb=" N GLUSX 53 " --> pdb=" O ARGSX 71 " (cutoff:3.500A) removed outlier: 3.683A pdb=" N ARGSX 71 " --> pdb=" O GLUSX 53 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N VALSX 55 " --> pdb=" O CYSSX 69 " (cutoff:3.500A) removed outlier: 5.577A pdb=" N ALASX 65 " --> pdb=" O ALASX 59 " (cutoff:3.500A) removed outlier: 3.589A pdb=" N VALSX 72 " --> pdb=" O ILESX 81 " (cutoff:3.500A) removed outlier: 4.791A pdb=" N LYSSX 79 " --> pdb=" O LEUSX 74 " (cutoff:3.500A) Processing sheet with id= 89, first strand: chain 'Sa' and resid 36 through 43 removed outlier: 3.618A pdb=" N ARGSa 42 " --> pdb=" O LEUSa 67 " (cutoff:3.500A) Processing sheet with id= 90, first strand: chain 'Sc' and resid 18 through 21 removed outlier: 4.253A pdb=" N GLYSc 19 " --> pdb=" O GLNSc 29 " (cutoff:3.500A) removed outlier: 5.257A pdb=" N ARGSc 31 " --> pdb=" O THRSc 15 " (cutoff:3.500A) removed outlier: 3.944A pdb=" N ARGSc 13 " --> pdb=" O GLUSc 33 " (cutoff:3.500A) Processing sheet with id= 91, first strand: chain 'Sc' and resid 27 through 33 removed outlier: 3.584A pdb=" N VALSc 46 " --> pdb=" O THRSc 28 " (cutoff:3.500A) removed outlier: 6.181A pdb=" N ARGSc 44 " --> pdb=" O VALSc 30 " (cutoff:3.500A) removed outlier: 3.543A pdb=" N ILESc 42 " --> pdb=" O VALSc 32 " (cutoff:3.500A) Processing sheet with id= 92, first strand: chain 'Sg' and resid 19 through 23 removed outlier: 3.851A pdb=" N GLNSg 20 " --> pdb=" O ALASg 34 " (cutoff:3.500A) removed outlier: 6.004A pdb=" N ASPSg 29 " --> pdb=" O LEUSg 45 " (cutoff:3.500A) removed outlier: 4.252A pdb=" N ILESg 31 " --> pdb=" O TRPSg 43 " (cutoff:3.500A) removed outlier: 4.666A pdb=" N THRSg 39 " --> pdb=" O SERSg 35 " (cutoff:3.500A) removed outlier: 6.988A pdb=" N METSg 42 " --> pdb=" O GLNSg 56 " (cutoff:3.500A) removed outlier: 4.265A pdb=" N TYRSg 52 " --> pdb=" O THRSg 46 " (cutoff:3.500A) Processing sheet with id= 93, first strand: chain 'Sg' and resid 68 through 72 removed outlier: 3.714A pdb=" N SERSg 72 " --> pdb=" O PHESg 77 " (cutoff:3.500A) removed outlier: 6.196A pdb=" N PHESg 77 " --> pdb=" O SERSg 72 " (cutoff:3.500A) removed outlier: 7.252A pdb=" N GLNSg 76 " --> pdb=" O LEUSg 92 " (cutoff:3.500A) removed outlier: 3.668A pdb=" N SERSg 80 " --> pdb=" O ARGSg 88 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N LEUSg 89 " --> pdb=" O THRSg 98 " (cutoff:3.500A) Processing sheet with id= 94, first strand: chain 'Sg' and resid 110 through 113 removed outlier: 4.020A pdb=" N THRSg 128 " --> pdb=" O SERSg 124 " (cutoff:3.500A) Processing sheet with id= 95, first strand: chain 'Sg' and resid 154 through 157 removed outlier: 5.859A pdb=" N ILESg 164 " --> pdb=" O SERSg 157 " (cutoff:3.500A) removed outlier: 4.075A pdb=" N HISSg 188 " --> pdb=" O VALSg 174 " (cutoff:3.500A) Processing sheet with id= 96, first strand: chain 'Sg' and resid 197 through 201 removed outlier: 3.776A pdb=" N THRSg 197 " --> pdb=" O GLYSg 210 " (cutoff:3.500A) removed outlier: 3.907A pdb=" N THRSg 199 " --> pdb=" O ALASg 208 " (cutoff:3.500A) removed outlier: 6.161A pdb=" N LEUSg 206 " --> pdb=" O SERSg 201 " (cutoff:3.500A) Processing sheet with id= 97, first strand: chain 'Sg' and resid 238 through 241 removed outlier: 4.179A pdb=" N ALASg 238 " --> pdb=" O ALASg 251 " (cutoff:3.500A) removed outlier: 3.676A pdb=" N LEUSg 248 " --> pdb=" O TRPSg 259 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N SERSg 255 " --> pdb=" O THRSg 252 " (cutoff:3.500A) removed outlier: 3.836A pdb=" N ASPSg 268 " --> pdb=" O ILESg 258 " (cutoff:3.500A) Processing sheet with id= 98, first strand: chain 'Sg' and resid 288 through 291 removed outlier: 6.990A pdb=" N GLNSg 296 " --> pdb=" O VALSg 312 " (cutoff:3.500A) Processing sheet with id= 99, first strand: chain 'Sg' and resid 39 through 42 removed outlier: 3.639A pdb=" N ILESg 40 " --> pdb=" O LEUSg 59 " (cutoff:3.500A) removed outlier: 3.635A pdb=" N ARGSg 57 " --> pdb=" O METSg 42 " (cutoff:3.500A) Processing sheet with id=100, first strand: chain 'SC' and resid 103 through 107 removed outlier: 6.664A pdb=" N PHESC 127 " --> pdb=" O LEUSC 107 " (cutoff:3.500A) removed outlier: 3.685A pdb=" N LYSSC 108 " --> pdb=" O PHESC 127 " (cutoff:3.500A) Processing sheet with id=101, first strand: chain 'SC' and resid 183 through 187 removed outlier: 4.258A pdb=" N ALASC 198 " --> pdb=" O ASPSC 221 " (cutoff:3.500A) removed outlier: 6.055A pdb=" N ASPSC 221 " --> pdb=" O ALASC 198 " (cutoff:3.500A) Processing sheet with id=102, first strand: chain 'SC' and resid 124 through 131 Processing sheet with id=103, first strand: chain 'SG' and resid 13 through 18 removed outlier: 4.138A pdb=" N METSG 1 " --> pdb=" O VALSG 18 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N LYSSG 2 " --> pdb=" O SERSG 107 " (cutoff:3.500A) removed outlier: 5.689A pdb=" N ASNSG 110 " --> pdb=" O SERSG 53 " (cutoff:3.500A) removed outlier: 6.679A pdb=" N VALSG 49 " --> pdb=" O VALSG 114 " (cutoff:3.500A) removed outlier: 4.208A pdb=" N THRSG 34 " --> pdb=" O ILESG 52 " (cutoff:3.500A) Processing sheet with id=104, first strand: chain 'SG' and resid 73 through 76 Processing sheet with id=105, first strand: chain 'SG' and resid 159 through 163 removed outlier: 4.005A pdb=" N ARGSG 170 " --> pdb=" O LEUSG 162 " (cutoff:3.500A) Processing sheet with id=106, first strand: chain 'SG' and resid 54 through 57 removed outlier: 3.968A pdb=" N GLYSG 54 " --> pdb=" O ASNSG 110 " (cutoff:3.500A) removed outlier: 4.239A pdb=" N VALSG 108 " --> pdb=" O ASNSG 56 " (cutoff:3.500A) Processing sheet with id=107, first strand: chain 'SM' and resid 75 through 80 removed outlier: 6.193A pdb=" N ASNSM 75 " --> pdb=" O HISSM 48 " (cutoff:3.500A) removed outlier: 3.740A pdb=" N CYSSM 50 " --> pdb=" O ASNSM 75 " (cutoff:3.500A) removed outlier: 4.583A pdb=" N LEUSM 49 " --> pdb=" O VALSM 111 " (cutoff:3.500A) Processing sheet with id=108, first strand: chain 'SO' and resid 39 through 46 removed outlier: 4.058A pdb=" N ASPSO 39 " --> pdb=" O SERSO 36 " (cutoff:3.500A) removed outlier: 3.827A pdb=" N ILESO 33 " --> pdb=" O LYSSO 96 " (cutoff:3.500A) removed outlier: 5.401A pdb=" N ILESO 95 " --> pdb=" O GLYSO 127 " (cutoff:3.500A) Processing sheet with id=109, first strand: chain 'SO' and resid 94 through 98 No H-bonds generated for sheet with id=109 Processing sheet with id=110, first strand: chain 'SW' and resid 23 through 27 removed outlier: 5.229A pdb=" N ARGSW 23 " --> pdb=" O LEUSW 65 " (cutoff:3.500A) removed outlier: 3.739A pdb=" N VALSW 63 " --> pdb=" O VALSW 25 " (cutoff:3.500A) removed outlier: 4.750A pdb=" N GLUSW 49 " --> pdb=" O ASNSW 64 " (cutoff:3.500A) Processing sheet with id=111, first strand: chain 'SW' and resid 78 through 82 removed outlier: 4.278A pdb=" N PHESW 79 " --> pdb=" O ILESW 125 " (cutoff:3.500A) Processing sheet with id=112, first strand: chain 'SY' and resid 5 through 10 removed outlier: 4.335A pdb=" N VALSY 24 " --> pdb=" O LYSSY 11 " (cutoff:3.500A) removed outlier: 5.345A pdb=" N LYSSY 11 " --> pdb=" O VALSY 24 " (cutoff:3.500A) Processing sheet with id=113, first strand: chain 'SY' and resid 54 through 58 removed outlier: 6.128A pdb=" N VALSY 54 " --> pdb=" O TYRSY 76 " (cutoff:3.500A) removed outlier: 5.874A pdb=" N LYSSY 68 " --> pdb=" O HISSY 63 " (cutoff:3.500A) Processing sheet with id=114, first strand: chain 'SY' and resid 19 through 29 removed outlier: 9.602A pdb=" N GLNSY 19 " --> pdb=" O ASPSY 77 " (cutoff:3.500A) removed outlier: 3.537A pdb=" N GLYSY 73 " --> pdb=" O METSY 23 " (cutoff:3.500A) Processing sheet with id=115, first strand: chain 'SZ' and resid 97 through 100 removed outlier: 3.630A pdb=" N LYSSZ 98 " --> pdb=" O THRSZ 110 " (cutoff:3.500A) removed outlier: 6.757A pdb=" N ILESZ 108 " --> pdb=" O VALSZ 100 " (cutoff:3.500A) Processing sheet with id=116, first strand: chain 'Sb' and resid 43 through 48 removed outlier: 3.676A pdb=" N THRSb 44 " --> pdb=" O VALSb 35 " (cutoff:3.500A) removed outlier: 7.284A pdb=" N TYRSb 31 " --> pdb=" O SERSb 48 " (cutoff:3.500A) removed outlier: 3.737A pdb=" N LYSSb 36 " --> pdb=" O SERSb 78 " (cutoff:3.500A) 2739 hydrogen bonds defined for protein. 8107 hydrogen bond angles defined for protein. Restraints generated for nucleic acids: 3524 hydrogen bonds 5870 hydrogen bond angles 0 basepair planarities 1409 basepair parallelities 3104 stacking parallelities Total time for adding SS restraints: 546.12 Time building geometry restraints manager: 79.58 seconds NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Histogram of bond lengths: 1.19 - 1.32: 27057 1.32 - 1.45: 96086 1.45 - 1.57: 99986 1.57 - 1.70: 11679 1.70 - 1.83: 674 Bond restraints: 235482 Sorted by residual: bond pdb=" C4 B8HL51860 " pdb=" C5 B8HL51860 " ideal model delta sigma weight residual 1.836 1.468 0.368 2.00e-02 2.50e+03 3.38e+02 bond pdb=" C4 B8HL53762 " pdb=" C5 B8HL53762 " ideal model delta sigma weight residual 1.836 1.469 0.367 2.00e-02 2.50e+03 3.36e+02 bond pdb=" C4 B8HL54296 " pdb=" C5 B8HL54296 " ideal model delta sigma weight residual 1.836 1.476 0.360 2.00e-02 2.50e+03 3.25e+02 bond pdb=" N1 B8HL51860 " pdb=" C6 B8HL51860 " ideal model delta sigma weight residual 1.674 1.319 0.355 2.00e-02 2.50e+03 3.15e+02 bond pdb=" N1 B8HL54296 " pdb=" C6 B8HL54296 " ideal model delta sigma weight residual 1.674 1.326 0.348 2.00e-02 2.50e+03 3.03e+02 ... (remaining 235477 not shown) Histogram of bond angle deviations from ideal: 94.93 - 103.89: 20134 103.89 - 112.85: 142951 112.85 - 121.80: 129546 121.80 - 130.76: 50951 130.76 - 139.72: 2279 Bond angle restraints: 345861 Sorted by residual: angle pdb=" C1' A2ML53825 " pdb=" N9 A2ML53825 " pdb=" C8 A2ML53825 " ideal model delta sigma weight residual 93.22 128.44 -35.22 3.00e+00 1.11e-01 1.38e+02 angle pdb=" C1' A2ML53718 " pdb=" N9 A2ML53718 " pdb=" C8 A2ML53718 " ideal model delta sigma weight residual 93.22 127.65 -34.43 3.00e+00 1.11e-01 1.32e+02 angle pdb=" C1' A2ML51326 " pdb=" N9 A2ML51326 " pdb=" C8 A2ML51326 " ideal model delta sigma weight residual 93.22 127.64 -34.42 3.00e+00 1.11e-01 1.32e+02 angle pdb=" C1' A2ML53723 " pdb=" N9 A2ML53723 " pdb=" C8 A2ML53723 " ideal model delta sigma weight residual 93.22 127.21 -33.99 3.00e+00 1.11e-01 1.28e+02 angle pdb=" C1' A2ML5 398 " pdb=" N9 A2ML5 398 " pdb=" C8 A2ML5 398 " ideal model delta sigma weight residual 93.22 127.20 -33.98 3.00e+00 1.11e-01 1.28e+02 ... (remaining 345856 not shown) Histogram of dihedral angle deviations from ideal: 0.00 - 35.94: 123581 35.94 - 71.87: 5180 71.87 - 107.81: 402 107.81 - 143.75: 41 143.75 - 179.68: 64 Dihedral angle restraints: 129268 sinusoidal: 95419 harmonic: 33849 Sorted by residual: dihedral pdb=" CA LEULB 17 " pdb=" C LEULB 17 " pdb=" N PROLB 18 " pdb=" CA PROLB 18 " ideal model delta harmonic sigma weight residual 180.00 90.51 89.49 0 5.00e+00 4.00e-02 3.20e+02 dihedral pdb=" CA HISLB 258 " pdb=" C HISLB 258 " pdb=" N PROLB 259 " pdb=" CA PROLB 259 " ideal model delta harmonic sigma weight residual 180.00 102.45 77.55 0 5.00e+00 4.00e-02 2.41e+02 dihedral pdb=" CA TYRLj 39 " pdb=" C TYRLj 39 " pdb=" N PROLj 40 " pdb=" CA PROLj 40 " ideal model delta harmonic sigma weight residual 180.00 105.76 74.24 0 5.00e+00 4.00e-02 2.20e+02 ... (remaining 129265 not shown) Histogram of chiral volume deviations from ideal: 0.000 - 0.493: 42686 0.493 - 0.987: 3 0.987 - 1.480: 0 1.480 - 1.974: 0 1.974 - 2.467: 4 Chirality restraints: 42693 Sorted by residual: chirality pdb=" C4 E3CS2 568 " pdb=" N3 E3CS2 568 " pdb=" N4 E3CS2 568 " pdb=" C5 E3CS2 568 " both_signs ideal model delta sigma weight residual False 2.47 0.00 2.47 2.00e-01 2.50e+01 1.52e+02 chirality pdb=" C4 B8QL51456 " pdb=" N3 B8QL51456 " pdb=" N4 B8QL51456 " pdb=" C5 B8QL51456 " both_signs ideal model delta sigma weight residual False 2.45 0.01 2.45 2.00e-01 2.50e+01 1.50e+02 chirality pdb=" C4 B9HL52786 " pdb=" N3 B9HL52786 " pdb=" N4 B9HL52786 " pdb=" C5 B9HL52786 " both_signs ideal model delta sigma weight residual False -2.46 -0.01 -2.45 2.00e-01 2.50e+01 1.50e+02 ... (remaining 42690 not shown) Planarity restraints: 22176 Sorted by residual: delta sigma weight rms_deltas residual plane pdb=" C5' OMGL51625 " 1.022 2.00e-02 2.50e+03 6.47e-01 9.43e+03 pdb=" C4' OMGL51625 " -0.198 2.00e-02 2.50e+03 pdb=" O4' OMGL51625 " -0.898 2.00e-02 2.50e+03 pdb=" C3' OMGL51625 " 0.253 2.00e-02 2.50e+03 pdb=" O3' OMGL51625 " -0.903 2.00e-02 2.50e+03 pdb=" C2' OMGL51625 " 0.625 2.00e-02 2.50e+03 pdb=" O2' OMGL51625 " 0.611 2.00e-02 2.50e+03 pdb=" C1' OMGL51625 " -0.486 2.00e-02 2.50e+03 pdb=" N9 OMGL51625 " -0.026 2.00e-02 2.50e+03 delta sigma weight rms_deltas residual plane pdb=" C5' OMGL51316 " -0.076 2.00e-02 2.50e+03 6.31e-01 8.97e+03 pdb=" C4' OMGL51316 " -0.427 2.00e-02 2.50e+03 pdb=" O4' OMGL51316 " -0.633 2.00e-02 2.50e+03 pdb=" C3' OMGL51316 " 0.652 2.00e-02 2.50e+03 pdb=" O3' OMGL51316 " 0.721 2.00e-02 2.50e+03 pdb=" C2' OMGL51316 " 0.124 2.00e-02 2.50e+03 pdb=" O2' OMGL51316 " -1.052 2.00e-02 2.50e+03 pdb=" C1' OMGL51316 " -0.245 2.00e-02 2.50e+03 pdb=" N9 OMGL51316 " 0.934 2.00e-02 2.50e+03 delta sigma weight rms_deltas residual plane pdb=" C5' 2MGL5 978 " -0.084 2.00e-02 2.50e+03 6.26e-01 8.81e+03 pdb=" C4' 2MGL5 978 " -0.450 2.00e-02 2.50e+03 pdb=" O4' 2MGL5 978 " -0.636 2.00e-02 2.50e+03 pdb=" C3' 2MGL5 978 " 0.591 2.00e-02 2.50e+03 pdb=" O3' 2MGL5 978 " 0.700 2.00e-02 2.50e+03 pdb=" C2' 2MGL5 978 " 0.150 2.00e-02 2.50e+03 pdb=" O2' 2MGL5 978 " -1.033 2.00e-02 2.50e+03 pdb=" C1' 2MGL5 978 " -0.206 2.00e-02 2.50e+03 pdb=" N9 2MGL5 978 " 0.969 2.00e-02 2.50e+03 ... (remaining 22173 not shown) Histogram of nonbonded interaction distances: 0.88 - 1.69: 11 1.69 - 2.49: 1249 2.49 - 3.29: 214896 3.29 - 4.10: 676387 4.10 - 4.90: 1062203 Warning: very small nonbonded interaction distances. Nonbonded interactions: 1954746 Sorted by model distance: nonbonded pdb=" CA PROSI 131 " pdb=" OE2 GLUSI 134 " model vdw 0.883 3.470 nonbonded pdb=" C THRSI 130 " pdb=" OE1 GLUSI 134 " model vdw 0.990 3.270 nonbonded pdb=" O THRSI 130 " pdb=" OE1 GLUSI 134 " model vdw 1.223 3.040 nonbonded pdb=" N PROSI 131 " pdb=" OE1 GLUSI 134 " model vdw 1.345 3.120 nonbonded pdb=" O THRSI 130 " pdb=" CD GLUSI 134 " model vdw 1.363 3.270 ... (remaining 1954741 not shown) NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Find NCS groups from input model ========== WARNING! ============ No NCS relation were found !!! ================================ Found NCS groups: found none. Set up NCS constraints No NCS constraints will be used in refinement. Set refine NCS operators Set scattering table Set to: electron Number of scattering types: 7 Type Number sf(0) Gaussians Zn 8 6.06 5 P 5859 5.49 5 Mg 402 5.21 5 S 429 5.16 5 C 115301 2.51 5 N 40761 2.21 5 O 56836 1.98 5 sf(0) = scattering factor at diffraction angle 0. Adjust number of macro_cycles Number of macro_cycles: 10 Reset NCS operators Extract rigid body selections Check and reset occupancies Occupancies: min=0.50 max=1.00 mean=1.00 Load rotamer database and sin/cos tables Set ADP refinement strategy ADPs will be refined as individual isotropic Make a string to write initial .geo file Internal consistency checks Time: Set random seed: 0.000 Set model cs if undefined: 0.000 Decide on map wrapping: 0.000 Normalize map: mean=0, sd=1: 14.570 Set stop_for_unknowns flag: 0.000 Assert model is a single copy model: 0.000 Assert all atoms have isotropic ADPs: 0.000 Construct map_model_manager: 0.180 Extract box with map and model: 56.810 Check model and map are aligned: 2.370 Convert atoms to be neutral: 1.350 Process input model: 967.200 Find NCS groups from input model: 5.650 Set up NCS constraints: 0.510 Set refine NCS operators: 0.000 Set scattering table: 0.060 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:14.120 Set ADP refinement strategy: 0.000 Make a string to write initial .geo file:0.000 Internal consistency checks: 0.000 Total: 1062.840 ------------------------------------------------------------------------------- Set refinement monitor ********************** ------------------------------------------------------------------------------- Setup refinement engine *********************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.0009 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 : 0.012 0.368 235482 Z= 0.726 Angle : 1.128 35.218 345861 Z= 0.544 Chirality : 0.060 2.467 42693 Planarity : 0.028 0.647 22176 Dihedral : 16.176 179.685 107442 Min Nonbonded Distance : 0.883 Molprobity Statistics. All-atom Clashscore : 4.04 Ramachandran Plot: Outliers : 0.26 % Allowed : 9.36 % Favored : 90.38 % Rotamer Outliers : 0.81 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.21 % Cis-general : 0.21 % Twisted Proline : 2.08 % Twisted General : 0.52 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -5.00 (0.06), residues: 11561 helix: -4.56 (0.04), residues: 3457 sheet: -2.38 (0.11), residues: 1723 loop : -2.89 (0.06), residues: 6381 *********************** REFINEMENT MACRO_CYCLE 1 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 23122 Ramachandran restraints generated. 11561 Oldfield, 0 Emsley, 11561 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 23122 Ramachandran restraints generated. 11561 Oldfield, 0 Emsley, 11561 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 730 residues out of total 10069 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 78 poor density : 652 time to evaluate : 10.060 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 outliers start: 78 outliers final: 32 residues processed: 726 average time/residue: 2.4763 time to fit residues: 2749.6555 Evaluate side-chains 530 residues out of total 10069 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 32 poor density : 498 time to evaluate : 9.631 Switching outliers to nearest non-outliers outliers start: 32 outliers final: 31 residues processed: 3 average time/residue: 1.9921 time to fit residues: 22.0574 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=5.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1723 random chunks: chunk 1454 optimal weight: 1.9990 chunk 1305 optimal weight: 0.0670 chunk 724 optimal weight: 3.9990 chunk 446 optimal weight: 1.9990 chunk 880 optimal weight: 7.9990 chunk 697 optimal weight: 0.6980 chunk 1350 optimal weight: 10.0000 chunk 522 optimal weight: 5.9990 chunk 821 optimal weight: 5.9990 chunk 1005 optimal weight: 0.6980 chunk 1564 optimal weight: 8.9990 overall best weight: 1.0922 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: LA 83 HIS ** LA 132 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** LB 11 HIS LB 184 GLN LB 186 ASN LB 245 HIS ** LB 281 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** LB 302 ASN ** LB 354 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** LC 50 GLN ** LC 317 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** LC 329 ASN LD 198 HIS LD 250 ASN LD 282 GLN ** LE 250 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** LF 63 GLN LF 110 GLN LF 116 GLN ** LG 85 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** LG 206 GLN ** LH 7 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** LH 8 GLN LH 42 ASN LH 116 ASN LH 156 ASN ** LI 112 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** LI 147 HIS LJ 98 ASN LL 6 ASN LM 48 GLN LN 37 HIS LO 50 ASN LP 21 ASN LP 80 GLN LP 116 HIS LQ 125 GLN LR 7 GLN LR 130 ASN LR 141 HIS LS 77 ASN LV 36 ASN LW 17 HIS LW 48 GLN LW 59 HIS LX 125 ASN LY 4 ASN LY 14 ASN La 44 ASN La 93 ASN Lb 19 ASN Lb 49 HIS Lb 60 ASN ** Le 43 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Li 26 HIS Ll 19 GLN Lp 56 HIS Lr 6 GLN Lr 41 ASN Lr 100 ASN ** Lz 35 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Lz 40 ASN Lz 96 ASN Lz 184 HIS SA 50 ASN SB 186 ASN SD 159 HIS SE 98 ASN SE 112 HIS SE 188 ASN SE 214 ASN SF 31 ASN ** SF 83 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SH 33 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** SH 73 GLN ** SH 76 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** SH 114 GLN SH 186 ASN SI 9 HIS SI 22 HIS SI 88 ASN SI 138 ASN SK 28 HIS SK 44 HIS ** SL 13 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** SL 65 ASN SP 41 GLN SP 103 ASN SP 104 GLN SQ 86 GLN ** SR 31 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** SS 10 GLN SS 17 ASN SS 87 GLN ST 85 ASN ST 128 GLN ST 142 ASN SU 81 GLN SV 21 ASN Sd 45 GLN Sg 14 HIS Sg 64 HIS Sg 117 ASN Sg 162 ASN SC 115 GLN SG 13 GLN SG 81 HIS SG 186 GLN SG 197 GLN SM 19 GLN ** SM 52 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** SM 55 ASN SN 49 GLN SO 103 ASN SO 113 GLN ** SW 90 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SZ 46 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Se 37 GLN Sf 91 ASN Total number of N/Q/H flips: 101 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.0286 moved from start: 0.1907 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.003 0.150 235482 Z= 0.194 Angle : 0.855 18.263 345861 Z= 0.449 Chirality : 0.040 0.449 42693 Planarity : 0.008 0.139 22176 Dihedral : 16.959 179.809 82647 Min Nonbonded Distance : 1.771 Molprobity Statistics. All-atom Clashscore : 11.99 Ramachandran Plot: Outliers : 0.09 % Allowed : 8.04 % Favored : 91.87 % Rotamer Outliers : 2.32 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.21 % Cis-general : 0.21 % Twisted Proline : 1.25 % Twisted General : 0.19 % 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: -3.86 (0.07), residues: 11561 helix: -3.04 (0.07), residues: 3496 sheet: -1.95 (0.11), residues: 1777 loop : -2.47 (0.07), residues: 6288 *********************** REFINEMENT MACRO_CYCLE 2 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 23122 Ramachandran restraints generated. 11561 Oldfield, 0 Emsley, 11561 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 23122 Ramachandran restraints generated. 11561 Oldfield, 0 Emsley, 11561 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 770 residues out of total 10069 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 230 poor density : 540 time to evaluate : 9.546 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 230 outliers final: 122 residues processed: 699 average time/residue: 2.3792 time to fit residues: 2573.2277 Evaluate side-chains 596 residues out of total 10069 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 122 poor density : 474 time to evaluate : 9.586 Switching outliers to nearest non-outliers outliers start: 122 outliers final: 76 residues processed: 46 average time/residue: 2.2805 time to fit residues: 173.9779 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1723 random chunks: chunk 869 optimal weight: 10.0000 chunk 485 optimal weight: 3.9990 chunk 1302 optimal weight: 9.9990 chunk 1065 optimal weight: 8.9990 chunk 431 optimal weight: 5.9990 chunk 1567 optimal weight: 1.9990 chunk 1693 optimal weight: 7.9990 chunk 1396 optimal weight: 2.9990 chunk 1554 optimal weight: 1.9990 chunk 534 optimal weight: 0.0670 chunk 1257 optimal weight: 0.0170 overall best weight: 1.4162 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** LA 132 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** LA 140 ASN ** LB 175 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LB 186 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** LB 275 HIS ** LB 328 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** LC 116 ASN LC 231 ASN ** LC 317 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** LD 195 HIS ** LE 250 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** LF 99 ASN LF 248 ASN LG 206 GLN ** LG 225 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** LG 240 ASN LJ 104 ASN LJ 155 HIS LL 188 ASN LM 48 GLN LN 8 GLN LN 158 HIS LO 26 GLN LO 42 ASN ** LP 28 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LP 34 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LW 48 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Lb 7 HIS Lc 33 GLN ** Le 43 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Ln 22 GLN Lo 21 HIS ** Lo 36 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Lz 19 HIS SB 163 GLN ** SE 209 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** SF 83 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SH 33 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SH 168 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** SI 138 ASN SL 18 GLN ** SR 31 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** SR 127 ASN SU 92 HIS ** SV 35 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Sc 26 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Sg 117 ASN Sg 143 GLN ** SC 267 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** SG 65 GLN ** SM 52 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SW 90 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SZ 46 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 30 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.0667 moved from start: 0.3396 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.003 0.256 235482 Z= 0.209 Angle : 0.831 19.415 345861 Z= 0.440 Chirality : 0.040 0.550 42693 Planarity : 0.008 0.134 22176 Dihedral : 16.908 179.930 82647 Min Nonbonded Distance : 1.739 Molprobity Statistics. All-atom Clashscore : 14.21 Ramachandran Plot: Outliers : 0.10 % Allowed : 8.21 % Favored : 91.68 % Rotamer Outliers : 3.27 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.21 % Cis-general : 0.21 % Twisted Proline : 1.46 % Twisted General : 0.14 % 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: -3.17 (0.07), residues: 11561 helix: -1.99 (0.08), residues: 3506 sheet: -1.68 (0.12), residues: 1711 loop : -2.32 (0.07), residues: 6344 *********************** REFINEMENT MACRO_CYCLE 3 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 23122 Ramachandran restraints generated. 11561 Oldfield, 0 Emsley, 11561 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 23122 Ramachandran restraints generated. 11561 Oldfield, 0 Emsley, 11561 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 840 residues out of total 10069 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 326 poor density : 514 time to evaluate : 9.863 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 326 outliers final: 182 residues processed: 752 average time/residue: 2.3171 time to fit residues: 2721.5417 Evaluate side-chains 639 residues out of total 10069 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 182 poor density : 457 time to evaluate : 9.411 Switching outliers to nearest non-outliers outliers start: 182 outliers final: 132 residues processed: 50 average time/residue: 1.9963 time to fit residues: 173.6768 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1723 random chunks: chunk 1548 optimal weight: 6.9990 chunk 1178 optimal weight: 50.0000 chunk 813 optimal weight: 0.0070 chunk 173 optimal weight: 10.0000 chunk 748 optimal weight: 3.9990 chunk 1052 optimal weight: 20.0000 chunk 1573 optimal weight: 0.9990 chunk 1665 optimal weight: 3.9990 chunk 821 optimal weight: 7.9990 chunk 1490 optimal weight: 10.0000 chunk 448 optimal weight: 40.0000 overall best weight: 3.2006 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: LA 50 HIS ** LA 100 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LA 132 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** LA 218 HIS LB 175 GLN LB 245 HIS ** LB 281 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LB 328 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LC 245 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** LC 317 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LD 198 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** LE 136 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** LE 191 GLN ** LE 250 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** LF 116 GLN ** LF 119 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LF 163 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** LG 100 HIS ** LG 225 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LG 236 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** LH 163 GLN ** LL 67 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** LL 113 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** LL 188 ASN LM 120 ASN LN 87 HIS LN 99 GLN ** LN 178 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** LN 199 GLN ** LO 14 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** LO 96 GLN LO 143 HIS ** LP 28 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LP 34 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** LP 80 GLN LP 93 HIS LP 145 HIS LQ 45 GLN LQ 160 HIS ** LQ 188 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** LS 117 HIS ** LT 49 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** LT 127 GLN LW 48 GLN LZ 79 HIS ** La 66 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** La 67 GLN ** La 85 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** La 120 GLN ** Lb 19 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Lb 49 HIS ** Lb 50 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Ld 18 ASN ** Le 24 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Le 43 ASN Le 52 GLN ** Lf 78 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Li 36 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Lj 76 HIS Lm 104 HIS ** Lp 33 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Lr 45 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Lz 141 ASN SB 75 GLN SB 202 GLN SD 179 GLN ** SE 50 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SE 201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** SE 214 ASN SF 82 ASN ** SF 83 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** SF 95 HIS SF 148 ASN ** SH 168 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** SI 22 HIS SI 87 ASN SK 7 ASN ** SK 66 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** SL 11 GLN ** SP 32 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** SP 104 GLN SP 114 HIS ** SP 128 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** SQ 24 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** SQ 80 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SQ 114 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SR 31 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** SR 118 GLN SS 11 HIS ** ST 51 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ST 85 ASN SU 28 ASN SU 81 GLN SU 85 HIS SV 33 GLN ** Sc 26 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Sg 56 GLN Sg 196 ASN ** Sg 272 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** SC 277 HIS SG 13 GLN SG 65 GLN ** SM 52 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SN 69 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** SO 113 GLN SW 44 HIS ** SW 90 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SW 92 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SW 113 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** SY 124 ASN ** SZ 46 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Sb 19 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Sb 49 HIS Sb 83 GLN Total number of N/Q/H flips: 63 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.1352 moved from start: 0.5833 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.006 0.195 235482 Z= 0.374 Angle : 1.176 27.406 345861 Z= 0.596 Chirality : 0.053 0.633 42693 Planarity : 0.011 0.144 22176 Dihedral : 18.249 179.745 82647 Min Nonbonded Distance : 0.857 Molprobity Statistics. All-atom Clashscore : 25.19 Ramachandran Plot: Outliers : 0.17 % Allowed : 10.27 % Favored : 89.56 % Rotamer Outliers : 4.85 % Cbeta Deviations : 0.02 % Peptide Plane: Cis-proline : 0.21 % Cis-general : 0.21 % Twisted Proline : 2.08 % Twisted General : 0.35 % 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: -3.55 (0.07), residues: 11561 helix: -2.15 (0.08), residues: 3433 sheet: -1.77 (0.12), residues: 1652 loop : -2.71 (0.07), residues: 6476 *********************** REFINEMENT MACRO_CYCLE 4 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 23122 Ramachandran restraints generated. 11561 Oldfield, 0 Emsley, 11561 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 23122 Ramachandran restraints generated. 11561 Oldfield, 0 Emsley, 11561 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1018 residues out of total 10069 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 484 poor density : 534 time to evaluate : 9.605 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 outliers start: 484 outliers final: 260 residues processed: 911 average time/residue: 2.3304 time to fit residues: 3292.3022 Evaluate side-chains 709 residues out of total 10069 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 260 poor density : 449 time to evaluate : 9.482 Switching outliers to nearest non-outliers outliers start: 260 outliers final: 207 residues processed: 53 average time/residue: 2.1326 time to fit residues: 190.5660 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=3.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1723 random chunks: chunk 1387 optimal weight: 30.0000 chunk 945 optimal weight: 0.9990 chunk 24 optimal weight: 10.0000 chunk 1240 optimal weight: 50.0000 chunk 687 optimal weight: 8.9990 chunk 1421 optimal weight: 6.9990 chunk 1151 optimal weight: 8.9990 chunk 1 optimal weight: 9.9990 chunk 850 optimal weight: 7.9990 chunk 1494 optimal weight: 0.4980 chunk 420 optimal weight: 2.9990 overall best weight: 3.8988 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** LA 19 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** LA 50 HIS ** LA 97 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** LA 132 ASN ** LA 140 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** LA 216 HIS LB 55 HIS ** LB 167 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** LB 175 GLN ** LB 328 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** LB 354 GLN ** LC 60 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** LC 116 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** LC 119 GLN LC 231 ASN LC 245 HIS ** LC 317 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LD 198 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** LE 136 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** LE 250 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** LF 80 ASN ** LF 119 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** LF 163 ASN LF 248 ASN ** LG 82 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LG 225 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LG 236 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** LG 240 ASN ** LI 112 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LI 163 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** LJ 98 ASN LL 15 HIS LN 178 HIS ** LN 181 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** LO 14 HIS ** LP 28 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** LP 133 HIS ** LQ 188 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** LR 121 HIS ** LR 130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LT 3 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** LW 17 HIS LY 14 ASN ** LY 18 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** La 25 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** La 40 HIS La 41 HIS La 66 ASN ** Lb 19 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Lb 50 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Ld 18 ASN Le 24 GLN ** Le 57 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Lf 78 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Lf 80 ASN ** Li 36 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Ll 43 HIS Lm 84 GLN Lr 4 HIS ** Lr 36 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Lr 45 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Lr 70 GLN SA 9 GLN SA 50 ASN ** SA 141 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** SA 193 HIS SB 118 GLN ** SE 50 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SE 201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** SE 216 ASN ** SF 31 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** SF 79 HIS ** SF 95 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** SF 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SF 114 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** SF 148 ASN SH 76 GLN ** SH 168 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** SK 66 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** SL 154 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** SP 32 GLN SP 114 HIS ** SP 128 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** SQ 8 GLN SQ 77 HIS SQ 80 GLN SQ 114 GLN ** SR 31 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ST 85 ASN SX 63 ASN ** SX 73 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Sc 26 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Sg 26 GLN ** SC 136 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** SG 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SJ 143 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SM 52 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** SO 103 ASN SW 82 GLN ** SW 90 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SZ 46 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Sb 19 HIS Sb 26 GLN Se 39 ASN Total number of N/Q/H flips: 53 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.1621 moved from start: 0.7382 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.006 0.292 235482 Z= 0.394 Angle : 1.186 29.932 345861 Z= 0.600 Chirality : 0.053 0.503 42693 Planarity : 0.011 0.188 22176 Dihedral : 18.870 179.747 82647 Min Nonbonded Distance : 1.536 Molprobity Statistics. All-atom Clashscore : 26.50 Ramachandran Plot: Outliers : 0.16 % Allowed : 11.48 % Favored : 88.37 % Rotamer Outliers : 5.42 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.21 % Cis-general : 0.21 % Twisted Proline : 1.87 % Twisted General : 0.38 % 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: -3.71 (0.07), residues: 11561 helix: -2.24 (0.08), residues: 3449 sheet: -1.82 (0.12), residues: 1572 loop : -2.84 (0.07), residues: 6540 *********************** REFINEMENT MACRO_CYCLE 5 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 23122 Ramachandran restraints generated. 11561 Oldfield, 0 Emsley, 11561 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 23122 Ramachandran restraints generated. 11561 Oldfield, 0 Emsley, 11561 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1022 residues out of total 10069 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 540 poor density : 482 time to evaluate : 9.752 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 outliers start: 540 outliers final: 329 residues processed: 915 average time/residue: 2.3540 time to fit residues: 3376.6647 Evaluate side-chains 768 residues out of total 10069 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 329 poor density : 439 time to evaluate : 9.502 Switching outliers to nearest non-outliers outliers start: 329 outliers final: 262 residues processed: 67 average time/residue: 2.1030 time to fit residues: 235.9929 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=3.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1723 random chunks: chunk 560 optimal weight: 2.9990 chunk 1499 optimal weight: 0.8980 chunk 329 optimal weight: 6.9990 chunk 977 optimal weight: 0.0270 chunk 411 optimal weight: 0.9990 chunk 1667 optimal weight: 0.0040 chunk 1383 optimal weight: 20.0000 chunk 771 optimal weight: 6.9990 chunk 138 optimal weight: 8.9990 chunk 551 optimal weight: 10.0000 chunk 875 optimal weight: 20.0000 overall best weight: 0.9854 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: LA 19 HIS LB 175 GLN LB 328 ASN ** LC 60 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** LC 61 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LC 116 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LC 317 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LD 198 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** LE 250 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** LF 80 ASN LF 119 ASN LG 112 GLN LG 225 ASN ** LG 236 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** LG 240 ASN ** LI 163 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LN 15 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LT 3 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** LY 14 ASN LY 18 HIS Lb 7 HIS Lb 19 ASN Lb 50 ASN Le 24 GLN ** Lf 78 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Lg 73 HIS Li 36 HIS Lr 36 ASN Lr 45 HIS Lz 141 ASN SD 179 GLN ** SE 50 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** SE 138 HIS ** SE 142 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** SE 201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** SE 214 ASN ** SF 31 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** SF 79 HIS SF 83 ASN ** SF 95 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** SF 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SF 114 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** SF 148 ASN ** SH 168 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** SK 66 HIS SL 154 GLN SP 128 HIS SQ 77 HIS ** SR 31 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ST 105 GLN ST 142 ASN SX 87 ASN SC 136 HIS SG 59 GLN ** SM 52 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** SO 26 ASN SW 82 GLN ** SW 90 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SZ 46 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Se 39 ASN Total number of N/Q/H flips: 37 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.1360 moved from start: 0.7328 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.003 0.217 235482 Z= 0.188 Angle : 0.851 28.939 345861 Z= 0.450 Chirality : 0.040 0.344 42693 Planarity : 0.008 0.149 22176 Dihedral : 18.066 179.840 82647 Min Nonbonded Distance : 1.163 Molprobity Statistics. All-atom Clashscore : 17.77 Ramachandran Plot: Outliers : 0.09 % Allowed : 8.65 % Favored : 91.27 % Rotamer Outliers : 4.47 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.21 % Cis-general : 0.21 % Twisted Proline : 1.04 % Twisted General : 0.13 % 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: -3.14 (0.07), residues: 11561 helix: -1.60 (0.08), residues: 3455 sheet: -1.59 (0.12), residues: 1663 loop : -2.56 (0.07), residues: 6443 *********************** REFINEMENT MACRO_CYCLE 6 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 23122 Ramachandran restraints generated. 11561 Oldfield, 0 Emsley, 11561 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 23122 Ramachandran restraints generated. 11561 Oldfield, 0 Emsley, 11561 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 913 residues out of total 10069 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 443 poor density : 470 time to evaluate : 9.568 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 outliers start: 443 outliers final: 323 residues processed: 834 average time/residue: 2.1962 time to fit residues: 2900.9100 Evaluate side-chains 763 residues out of total 10069 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 323 poor density : 440 time to evaluate : 9.484 Switching outliers to nearest non-outliers outliers start: 323 outliers final: 271 residues processed: 52 average time/residue: 2.2295 time to fit residues: 192.9920 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=2.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1723 random chunks: chunk 1607 optimal weight: 7.9990 chunk 187 optimal weight: 9.9990 chunk 949 optimal weight: 30.0000 chunk 1217 optimal weight: 9.9990 chunk 943 optimal weight: 3.9990 chunk 1403 optimal weight: 0.0170 chunk 930 optimal weight: 8.9990 chunk 1660 optimal weight: 6.9990 chunk 1039 optimal weight: 10.0000 chunk 1012 optimal weight: 0.5980 chunk 766 optimal weight: 0.7980 overall best weight: 2.4822 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** LA 162 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LB 184 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LC 60 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** LC 61 GLN ** LC 116 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LC 317 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LD 175 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** LE 136 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** LE 250 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LG 236 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** LN 181 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** LP 28 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LQ 188 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LR 130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LT 3 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LT 49 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** LT 127 GLN ** Lf 78 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Lg 73 HIS ** Lo 18 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Lz 141 ASN ** SE 50 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SE 201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** SF 31 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SF 95 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** SF 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SF 114 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SH 168 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** SQ 114 GLN ** SR 31 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** ST 51 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** SX 87 ASN ** Sc 26 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Sg 191 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Sg 226 HIS SG 59 GLN ** SM 52 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SN 13 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** SN 62 GLN SO 26 ASN ** SW 90 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SY 85 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SZ 46 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 10 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.1555 moved from start: 0.7686 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.005 0.526 235482 Z= 0.292 Angle : 0.986 73.862 345861 Z= 0.504 Chirality : 0.045 0.387 42693 Planarity : 0.009 0.162 22176 Dihedral : 18.230 179.765 82647 Min Nonbonded Distance : 0.988 Molprobity Statistics. All-atom Clashscore : 21.60 Ramachandran Plot: Outliers : 0.10 % Allowed : 10.85 % Favored : 89.05 % Rotamer Outliers : 4.88 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.21 % Cis-general : 0.21 % Twisted Proline : 1.04 % Twisted General : 0.18 % 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: -3.12 (0.07), residues: 11561 helix: -1.53 (0.08), residues: 3416 sheet: -1.56 (0.13), residues: 1567 loop : -2.58 (0.07), residues: 6578 *********************** REFINEMENT MACRO_CYCLE 7 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 23122 Ramachandran restraints generated. 11561 Oldfield, 0 Emsley, 11561 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 23122 Ramachandran restraints generated. 11561 Oldfield, 0 Emsley, 11561 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 933 residues out of total 10069 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 486 poor density : 447 time to evaluate : 9.745 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 outliers start: 486 outliers final: 364 residues processed: 855 average time/residue: 2.2122 time to fit residues: 2990.7655 Evaluate side-chains 796 residues out of total 10069 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 364 poor density : 432 time to evaluate : 9.440 Switching outliers to nearest non-outliers outliers start: 364 outliers final: 309 residues processed: 58 average time/residue: 2.1048 time to fit residues: 206.7399 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=2.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1723 random chunks: chunk 1027 optimal weight: 0.0980 chunk 663 optimal weight: 2.9990 chunk 991 optimal weight: 0.2980 chunk 500 optimal weight: 2.9990 chunk 326 optimal weight: 8.9990 chunk 321 optimal weight: 5.9990 chunk 1055 optimal weight: 0.9990 chunk 1131 optimal weight: 9.9990 chunk 821 optimal weight: 6.9990 chunk 154 optimal weight: 9.9990 chunk 1305 optimal weight: 4.9990 overall best weight: 1.4786 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** LA 162 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LB 184 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** LB 258 HIS ** LC 60 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** LC 116 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LC 317 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** LD 175 HIS ** LE 136 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** LE 250 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LG 236 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** LN 181 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** LP 28 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LQ 188 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LR 130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LT 3 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Lf 78 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Lg 73 HIS ** Lo 18 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** SE 50 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SE 201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** SF 31 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SF 95 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** SF 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SF 114 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SH 168 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** SR 31 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** ST 51 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Sc 26 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SG 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SM 52 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SN 13 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** SO 26 ASN ** SW 90 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** SY 85 ASN ** SZ 46 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 5 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.1534 moved from start: 0.7699 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.004 0.595 235482 Z= 0.257 Angle : 0.953 73.900 345861 Z= 0.492 Chirality : 0.043 0.564 42693 Planarity : 0.009 0.218 22176 Dihedral : 18.219 179.855 82647 Min Nonbonded Distance : 1.000 Molprobity Statistics. All-atom Clashscore : 21.66 Ramachandran Plot: Outliers : 0.09 % Allowed : 10.82 % Favored : 89.09 % Rotamer Outliers : 4.37 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.21 % Cis-general : 0.21 % Twisted Proline : 1.04 % Twisted General : 0.16 % 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: -3.11 (0.07), residues: 11561 helix: -1.50 (0.08), residues: 3417 sheet: -1.56 (0.13), residues: 1573 loop : -2.59 (0.07), residues: 6571 *********************** REFINEMENT MACRO_CYCLE 8 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 23122 Ramachandran restraints generated. 11561 Oldfield, 0 Emsley, 11561 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 23122 Ramachandran restraints generated. 11561 Oldfield, 0 Emsley, 11561 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 867 residues out of total 10069 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 434 poor density : 433 time to evaluate : 9.650 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 outliers start: 434 outliers final: 377 residues processed: 801 average time/residue: 2.3168 time to fit residues: 2944.4840 Evaluate side-chains 804 residues out of total 10069 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 377 poor density : 427 time to evaluate : 9.596 Switching outliers to nearest non-outliers outliers start: 377 outliers final: 327 residues processed: 52 average time/residue: 2.1642 time to fit residues: 190.8610 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1723 random chunks: chunk 1510 optimal weight: 7.9990 chunk 1590 optimal weight: 7.9990 chunk 1451 optimal weight: 0.0370 chunk 1547 optimal weight: 2.9990 chunk 931 optimal weight: 0.0870 chunk 674 optimal weight: 3.9990 chunk 1215 optimal weight: 220.0000 chunk 474 optimal weight: 3.9990 chunk 1398 optimal weight: 2.9990 chunk 1463 optimal weight: 30.0000 chunk 1542 optimal weight: 3.9990 overall best weight: 2.0242 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** LA 162 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LB 184 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** LB 258 HIS ** LC 60 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** LC 116 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LC 317 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LE 136 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** LE 250 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LG 236 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** LN 181 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** LP 28 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LQ 188 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LR 130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LT 3 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Lf 78 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Lg 73 HIS ** Lo 18 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** SE 50 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SE 201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** SF 31 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SF 95 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** SF 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SF 114 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SH 168 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** SR 31 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** ST 51 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Sc 26 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SG 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SM 52 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SN 13 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** SO 26 ASN ** SW 90 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SZ 46 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 3 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.1534 moved from start: 0.7703 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.005 1.439 235482 Z= 0.299 Angle : 0.968 73.900 345861 Z= 0.506 Chirality : 0.043 0.564 42693 Planarity : 0.009 0.242 22176 Dihedral : 18.219 179.855 82647 Min Nonbonded Distance : 1.000 Molprobity Statistics. All-atom Clashscore : 22.17 Ramachandran Plot: Outliers : 0.09 % Allowed : 10.82 % Favored : 89.09 % Rotamer Outliers : 3.33 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.21 % Cis-general : 0.21 % Twisted Proline : 1.04 % Twisted General : 0.16 % 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: -3.11 (0.07), residues: 11561 helix: -1.50 (0.08), residues: 3417 sheet: -1.56 (0.13), residues: 1573 loop : -2.59 (0.07), residues: 6571 *********************** REFINEMENT MACRO_CYCLE 9 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 23122 Ramachandran restraints generated. 11561 Oldfield, 0 Emsley, 11561 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 23122 Ramachandran restraints generated. 11561 Oldfield, 0 Emsley, 11561 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 757 residues out of total 10069 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 330 poor density : 427 time to evaluate : 9.542 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 outliers start: 330 outliers final: 328 residues processed: 755 average time/residue: 2.2378 time to fit residues: 2679.1138 Evaluate side-chains 755 residues out of total 10069 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 328 poor density : 427 time to evaluate : 9.550 Switching outliers to nearest non-outliers outliers start: 328 outliers final: 328 residues processed: 3 average time/residue: 2.4100 time to fit residues: 23.0972 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1723 random chunks: chunk 1016 optimal weight: 0.6980 chunk 1636 optimal weight: 9.9990 chunk 998 optimal weight: 2.9990 chunk 776 optimal weight: 8.9990 chunk 1137 optimal weight: 7.9990 chunk 1716 optimal weight: 1.9990 chunk 1579 optimal weight: 3.9990 chunk 1366 optimal weight: 3.9990 chunk 141 optimal weight: 10.0000 chunk 1055 optimal weight: 0.0980 chunk 838 optimal weight: 0.0020 overall best weight: 1.1592 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** LA 162 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LB 184 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** LB 258 HIS ** LC 60 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** LC 116 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LC 317 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LE 136 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** LE 250 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LG 236 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** LN 181 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** LP 28 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LQ 188 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LR 130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LT 3 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Lf 78 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Lg 73 HIS ** Lo 18 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** SE 50 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SE 201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** SF 31 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SF 95 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** SF 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SF 114 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SH 168 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** SR 31 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** ST 51 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Sc 26 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SG 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SM 52 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SN 13 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** SO 26 ASN ** SW 90 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SZ 46 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 3 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.1535 moved from start: 0.7704 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.005 1.439 235482 Z= 0.299 Angle : 0.968 73.900 345861 Z= 0.506 Chirality : 0.043 0.564 42693 Planarity : 0.009 0.242 22176 Dihedral : 18.219 179.855 82647 Min Nonbonded Distance : 1.000 Molprobity Statistics. All-atom Clashscore : 22.20 Ramachandran Plot: Outliers : 0.09 % Allowed : 10.82 % Favored : 89.09 % Rotamer Outliers : 3.34 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.21 % Cis-general : 0.21 % Twisted Proline : 1.04 % Twisted General : 0.16 % 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: -3.11 (0.07), residues: 11561 helix: -1.50 (0.08), residues: 3417 sheet: -1.56 (0.13), residues: 1573 loop : -2.59 (0.07), residues: 6571 ********************** REFINEMENT MACRO_CYCLE 10 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 23122 Ramachandran restraints generated. 11561 Oldfield, 0 Emsley, 11561 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 23122 Ramachandran restraints generated. 11561 Oldfield, 0 Emsley, 11561 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 758 residues out of total 10069 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 331 poor density : 427 time to evaluate : 10.748 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 outliers start: 331 outliers final: 328 residues processed: 755 average time/residue: 2.4187 time to fit residues: 2899.1167 Evaluate side-chains 755 residues out of total 10069 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 328 poor density : 427 time to evaluate : 9.886 Switching outliers to nearest non-outliers outliers start: 328 outliers final: 328 residues processed: 3 average time/residue: 2.4548 time to fit residues: 23.6078 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1723 random chunks: chunk 1085 optimal weight: 50.0000 chunk 1456 optimal weight: 7.9990 chunk 418 optimal weight: 0.9980 chunk 1260 optimal weight: 0.0000 chunk 201 optimal weight: 20.0000 chunk 379 optimal weight: 10.0000 chunk 1369 optimal weight: 0.0050 chunk 572 optimal weight: 0.0980 chunk 1405 optimal weight: 0.0770 chunk 173 optimal weight: 10.0000 chunk 252 optimal weight: 4.9990 overall best weight: 0.2356 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** LA 162 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LB 184 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** LB 258 HIS ** LC 60 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** LC 116 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LC 317 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LE 136 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** LE 250 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LG 236 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** LN 181 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** LP 28 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LQ 188 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LR 130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LT 3 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Lf 78 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Lg 73 HIS ** Lo 18 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** SE 50 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SE 201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** SF 31 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SF 95 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** SF 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SF 114 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SH 168 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** SR 31 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** ST 51 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Sc 26 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SG 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SM 52 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SN 13 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** SO 26 ASN ** SW 90 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SZ 46 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 3 ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.5497 r_free = 0.5497 target = 0.376258 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 66)----------------| | r_work = 0.5452 r_free = 0.5452 target = 0.370503 restraints weight = 465856.979| |-----------------------------------------------------------------------------| r_work (start): 0.5454 rms_B_bonded: 0.87 r_work: 0.5442 rms_B_bonded: 0.91 restraints_weight: 0.5000 r_work: 0.5431 rms_B_bonded: 1.22 restraints_weight: 0.2500 r_work: 0.5415 rms_B_bonded: 1.77 restraints_weight: 0.1250 r_work: 0.5383 rms_B_bonded: 2.97 restraints_weight: 0.0625 r_work (final): 0.5383 ------------------------------------------------------------------------------- Occupancy refinement ******************** r_start: 0.5497 |-occupancy refinement: start-------------------------------------------------| | r_work = 0.5497 r_free = 0.5497 target_work(ls_wunit_k1) = 0.376 | | occupancies: max = 1.00 min = 0.50 number of occupancies < 0.1: 0 | |-----------------------------------------------------------------------------| |-occupancy refinement: end---------------------------------------------------| | r_work = 0.5497 r_free = 0.5497 target_work(ls_wunit_k1) = 0.376 | | occupancies: max = 1.00 min = 0.00 number of occupancies < 0.1: 54 | |-----------------------------------------------------------------------------| r_final: 0.5497 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.1798 moved from start: 0.7704 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.005 1.439 235482 Z= 0.299 Angle : 0.968 73.900 345861 Z= 0.506 Chirality : 0.043 0.564 42693 Planarity : 0.009 0.242 22176 Dihedral : 18.219 179.855 82647 Min Nonbonded Distance : 1.000 Molprobity Statistics. All-atom Clashscore : 22.19 Ramachandran Plot: Outliers : 0.09 % Allowed : 10.82 % Favored : 89.09 % Rotamer Outliers : 3.34 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.21 % Cis-general : 0.21 % Twisted Proline : 1.04 % Twisted General : 0.16 % 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: -3.11 (0.07), residues: 11561 helix: -1.50 (0.08), residues: 3417 sheet: -1.56 (0.13), residues: 1573 loop : -2.59 (0.07), residues: 6571 =============================================================================== Job complete usr+sys time: 43993.59 seconds wall clock time: 774 minutes 30.84 seconds (46470.84 seconds total)