Starting phenix.real_space_refine (version: dev) on Sat Apr 23 20:57:12 2022 by dcliebschner =============================================================================== Processing files: ------------------------------------------------------------------------------- Found model, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7mq9_23937/04_2022/7mq9_23937_neut_updated.pdb Found real_map, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7mq9_23937/04_2022/7mq9_23937.map Found restraint, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7mq9_23937/04_2022/7mq9_23937_neut_ligands.cif Processing PHIL parameters: ------------------------------------------------------------------------------- Adding command-line PHIL: ------------------------- refinement.macro_cycles=10 scattering_table=electron resolution=3.87 write_initial_geo_file=False Final processed PHIL parameters: ------------------------------------------------------------------------------- data_manager { restraint_files = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7mq9_23937/04_2022/7mq9_23937_neut_ligands.cif" default_restraint = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7mq9_23937/04_2022/7mq9_23937_neut_ligands.cif" real_map_files = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7mq9_23937/04_2022/7mq9_23937.map" default_real_map = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7mq9_23937/04_2022/7mq9_23937.map" model { file = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7mq9_23937/04_2022/7mq9_23937_neut_updated.pdb" } default_model = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7mq9_23937/04_2022/7mq9_23937_neut_updated.pdb" } resolution = 3.87 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= 0.002 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 "L4 GLU 40": "OE1" <-> "OE2" Residue "L4 PHE 99": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L4 GLU 165": "OE1" <-> "OE2" Residue "L5 GLU 98": "OE1" <-> "OE2" Residue "L5 GLU 176": "OE1" <-> "OE2" Residue "L5 TYR 188": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L5 GLU 197": "OE1" <-> "OE2" Residue "L6 PHE 145": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L7 ASP 149": "OD1" <-> "OD2" Residue "L8 TYR 55": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L8 PHE 65": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L8 ASP 80": "OD1" <-> "OD2" Residue "L8 TYR 109": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L8 TYR 113": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L8 GLU 163": "OE1" <-> "OE2" Residue "L9 GLU 34": "OE1" <-> "OE2" Residue "L9 GLU 42": "OE1" <-> "OE2" Residue "L9 GLU 59": "OE1" <-> "OE2" Residue "L9 GLU 107": "OE1" <-> "OE2" Residue "LC GLU 40": "OE1" <-> "OE2" Residue "LC PHE 63": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LC TYR 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LC TYR 95": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LD PHE 44": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LD GLU 49": "OE1" <-> "OE2" Residue "LF GLU 39": "OE1" <-> "OE2" Residue "LF TYR 48": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LF PHE 72": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LG ASP 54": "OD1" <-> "OD2" Residue "LG GLU 60": "OE1" <-> "OE2" Residue "LH GLU 16": "OE1" <-> "OE2" Residue "LH PHE 96": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LH TYR 169": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LH PHE 183": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LH GLU 284": "OE1" <-> "OE2" Residue "LH GLU 378": "OE1" <-> "OE2" Residue "LH PHE 470": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LH PHE 517": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LH TYR 696": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LJ TYR 29": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LJ PHE 192": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LJ GLU 198": "OE1" <-> "OE2" Residue "LJ TYR 288": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LJ TYR 449": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LK ASP 474": "OD1" <-> "OD2" Residue "LL GLU 224": "OE1" <-> "OE2" Residue "LL PHE 228": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LL TYR 272": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LL TYR 306": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LL PHE 475": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LN TYR 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LN PHE 54": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LN TYR 167": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LN GLU 274": "OE1" <-> "OE2" Residue "LN PHE 283": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LN PHE 684": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LO PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LO PHE 40": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LO TYR 144": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LO GLU 222": "OE1" <-> "OE2" Residue "LO PHE 312": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LO GLU 316": "OE1" <-> "OE2" Residue "LO GLU 319": "OE1" <-> "OE2" Residue "LO ASP 384": "OD1" <-> "OD2" Residue "LO ASP 394": "OD1" <-> "OD2" Residue "LO PHE 450": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LO PHE 453": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LO GLU 655": "OE1" <-> "OE2" Residue "LO ASP 742": "OD1" <-> "OD2" Residue "LO GLU 786": "OE1" <-> "OE2" Residue "LO GLU 788": "OE1" <-> "OE2" Residue "LO GLU 796": "OE1" <-> "OE2" Residue "LO GLU 800": "OE1" <-> "OE2" Residue "LO PHE 818": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LP GLU 17": "OE1" <-> "OE2" Residue "LP PHE 25": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LP ASP 39": "OD1" <-> "OD2" Residue "LP ASP 53": "OD1" <-> "OD2" Residue "LP GLU 61": "OE1" <-> "OE2" Residue "LP PHE 79": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LP ASP 82": "OD1" <-> "OD2" Residue "LP ASP 105": "OD1" <-> "OD2" Residue "LQ GLU 56": "OE1" <-> "OE2" Residue "LQ TYR 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LQ GLU 85": "OE1" <-> "OE2" Residue "LQ ASP 524": "OD1" <-> "OD2" Residue "LQ ASP 551": "OD1" <-> "OD2" Residue "LQ PHE 576": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LQ ASP 688": "OD1" <-> "OD2" Residue "LQ TYR 689": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LQ GLU 819": "OE1" <-> "OE2" Residue "LQ GLU 821": "OE1" <-> "OE2" Residue "LQ GLU 936": "OE1" <-> "OE2" Residue "LS GLU 81": "OE1" <-> "OE2" Residue "LS GLU 92": "OE1" <-> "OE2" Residue "LS ASP 144": "OD1" <-> "OD2" Residue "LS PHE 224": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LS ASP 272": "OD1" <-> "OD2" Residue "LS GLU 294": "OE1" <-> "OE2" Residue "LS TYR 427": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LS GLU 497": "OE1" <-> "OE2" Residue "LS TYR 553": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LT PHE 79": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LT TYR 109": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LT PHE 167": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LT PHE 171": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LT TYR 190": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LT GLU 194": "OE1" <-> "OE2" Residue "LT GLU 489": "OE1" <-> "OE2" Residue "LT ASP 501": "OD1" <-> "OD2" Residue "LT ASP 548": "OD1" <-> "OD2" Residue "LT GLU 617": "OE1" <-> "OE2" Residue "LT PHE 677": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LT ASP 865": "OD1" <-> "OD2" Residue "LT ASP 885": "OD1" <-> "OD2" Residue "LT PHE 900": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LU ASP 20": "OD1" <-> "OD2" Residue "LU TYR 28": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LU GLU 109": "OE1" <-> "OE2" Residue "LU GLU 146": "OE1" <-> "OE2" Residue "LU PHE 204": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LU PHE 252": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LU PHE 297": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LU ASP 312": "OD1" <-> "OD2" Residue "LU GLU 346": "OE1" <-> "OE2" Residue "LU ASP 372": "OD1" <-> "OD2" Residue "LW ASP 96": "OD1" <-> "OD2" Residue "LW PHE 98": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LW PHE 112": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LW GLU 138": "OE1" <-> "OE2" Residue "LW GLU 163": "OE1" <-> "OE2" Residue "LW GLU 178": "OE1" <-> "OE2" Residue "LW TYR 203": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LW GLU 232": "OE1" <-> "OE2" Residue "LW GLU 523": "OE1" <-> "OE2" Residue "LW ASP 525": "OD1" <-> "OD2" Residue "LZ PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LZ PHE 157": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LZ GLU 175": "OE1" <-> "OE2" Residue "NA GLU 361": "OE1" <-> "OE2" Residue "NA GLU 369": "OE1" <-> "OE2" Residue "NA GLU 377": "OE1" <-> "OE2" Residue "NA GLU 426": "OE1" <-> "OE2" Residue "NA GLU 463": "OE1" <-> "OE2" Residue "NA GLU 476": "OE1" <-> "OE2" Residue "NA GLU 487": "OE1" <-> "OE2" Residue "NB GLU 453": "OE1" <-> "OE2" Residue "NB TYR 461": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "NE GLU 174": "OE1" <-> "OE2" Residue "NE GLU 188": "OE1" <-> "OE2" Residue "NE TYR 208": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "NE GLU 220": "OE1" <-> "OE2" Residue "NE GLU 234": "OE1" <-> "OE2" Residue "NF GLU 142": "OE1" <-> "OE2" Residue "NG GLU 25": "OE1" <-> "OE2" Residue "NG PHE 28": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "NG ASP 65": "OD1" <-> "OD2" Residue "NG GLU 68": "OE1" <-> "OE2" Residue "NJ GLU 15": "OE1" <-> "OE2" Residue "NJ PHE 65": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "NJ PHE 310": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "NJ ASP 375": "OD1" <-> "OD2" Residue "NJ TYR 405": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "NJ PHE 525": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "NJ GLU 582": "OE1" <-> "OE2" Residue "NJ ASP 617": "OD1" <-> "OD2" Residue "NJ TYR 835": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "NM ASP 191": "OD1" <-> "OD2" Residue "NO PHE 101": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "NW GLU 44": "OE1" <-> "OE2" Residue "NW PHE 100": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "NW GLU 197": "OE1" <-> "OE2" Residue "NW TYR 271": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SA GLU 34": "OE1" <-> "OE2" Residue "SA GLU 81": "OE1" <-> "OE2" Residue "SA ASP 138": "OD1" <-> "OD2" Residue "SA ASP 181": "OD1" <-> "OD2" Residue "SA TYR 210": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SA GLU 229": "OE1" <-> "OE2" Residue "SB TYR 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SB PHE 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SB PHE 153": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SB TYR 217": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SB GLU 245": "OE1" <-> "OE2" Residue "SB TYR 338": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SC TYR 118": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SC TYR 223": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SC PHE 234": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SC TYR 302": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SD PHE 97": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SE TYR 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SE GLU 52": "OE1" <-> "OE2" Residue "SE ASP 59": "OD1" <-> "OD2" Residue "SE GLU 74": "OE1" <-> "OE2" Residue "SE TYR 80": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SF ASP 24": "OD1" <-> "OD2" Residue "SF GLU 52": "OE1" <-> "OE2" Residue "SF TYR 80": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SH TYR 81": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SH TYR 97": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SH ASP 130": "OD1" <-> "OD2" Residue "SH TYR 196": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SH TYR 224": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SH PHE 241": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SI GLU 113": "OE1" <-> "OE2" Residue "SI PHE 160": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SI PHE 189": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SI PHE 206": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SI TYR 218": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SI GLU 226": "OE1" <-> "OE2" Residue "SI PHE 238": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SI GLU 854": "OE1" <-> "OE2" Residue "SI ASP 868": "OD1" <-> "OD2" Residue "SI ASP 870": "OD1" <-> "OD2" Residue "SI PHE 951": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SI TYR 958": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SI GLU 960": "OE1" <-> "OE2" Residue "SI PHE 982": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SI ASP 1016": "OD1" <-> "OD2" Residue "SI PHE 1082": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SI PHE 1097": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SI ASP 1212": "OD1" <-> "OD2" Residue "SI GLU 1266": "OE1" <-> "OE2" Residue "SK ASP 97": "OD1" <-> "OD2" Residue "SK GLU 188": "OE1" <-> "OE2" Residue "SK PHE 198": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SK GLU 214": "OE1" <-> "OE2" Residue "SK TYR 222": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SK GLU 239": "OE1" <-> "OE2" Residue "SL GLU 111": "OE1" <-> "OE2" Residue "SL ASP 191": "OD1" <-> "OD2" Residue "SM GLU 5": "OE1" <-> "OE2" Residue "SM TYR 14": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SM GLU 27": "OE1" <-> "OE2" Residue "SM GLU 45": "OE1" <-> "OE2" Residue "SM GLU 58": "OE1" <-> "OE2" Residue "SM PHE 59": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SM ASP 60": "OD1" <-> "OD2" Residue "SM GLU 65": "OE1" <-> "OE2" Residue "SM GLU 103": "OE1" <-> "OE2" Residue "SM PHE 191": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SM TYR 256": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SM PHE 287": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SQ PHE 548": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SQ ASP 565": "OD1" <-> "OD2" Residue "SQ GLU 652": "OE1" <-> "OE2" Residue "SQ ASP 682": "OD1" <-> "OD2" Residue "SQ GLU 738": "OE1" <-> "OE2" Residue "SR GLU 53": "OE1" <-> "OE2" Residue "SR GLU 58": "OE1" <-> "OE2" Residue "SR TYR 134": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SS GLU 126": "OE1" <-> "OE2" Residue "SS GLU 187": "OE1" <-> "OE2" Residue "SS ASP 201": "OD1" <-> "OD2" Residue "SS TYR 236": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SS GLU 244": "OE1" <-> "OE2" Residue "SY TYR 44": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SY TYR 104": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SP PHE 16": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SP GLU 57": "OE1" <-> "OE2" Residue "SP GLU 694": "OE1" <-> "OE2" Residue "SP GLU 987": "OE1" <-> "OE2" Residue "LR GLU 700": "OE1" <-> "OE2" Residue "LR GLU 742": "OE1" <-> "OE2" Residue "LR TYR 750": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LR GLU 751": "OE1" <-> "OE2" Residue "LR GLU 758": "OE1" <-> "OE2" Residue "LR GLU 765": "OE1" <-> "OE2" Residue "LR PHE 780": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LM ASP 24": "OD1" <-> "OD2" Residue "LM ASP 40": "OD1" <-> "OD2" Residue "LM GLU 54": "OE1" <-> "OE2" Residue "LM TYR 138": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LM GLU 232": "OE1" <-> "OE2" Residue "LM GLU 275": "OE1" <-> "OE2" Residue "LM TYR 407": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LM TYR 436": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LM PHE 463": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LM ASP 478": "OD1" <-> "OD2" Residue "LM PHE 548": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LM ASP 821": "OD1" <-> "OD2" Residue "LM TYR 1067": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LM GLU 1108": "OE1" <-> "OE2" Residue "LM PHE 1114": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SG PHE 162": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SG ASP 242": "OD1" <-> "OD2" Residue "SG GLU 277": "OE1" <-> "OE2" Residue "SG GLU 336": "OE1" <-> "OE2" Residue "SG PHE 435": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "NI GLU 193": "OE1" <-> "OE2" Residue "ST GLU 806": "OE1" <-> "OE2" Residue "ST GLU 846": "OE1" <-> "OE2" Residue "NY GLU 42": "OE1" <-> "OE2" Residue "NY GLU 74": "OE1" <-> "OE2" Residue "NY GLU 85": "OE1" <-> "OE2" Residue "NY GLU 96": "OE1" <-> "OE2" Residue "NY ASP 208": "OD1" <-> "OD2" Residue "NY TYR 217": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "NY PHE 269": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "NY GLU 286": "OE1" <-> "OE2" Time to flip residues: 0.37s Monomer Library directory: "/net/cci-filer2/raid1/xp/phenix/phenix-dev-4553/modules/chem_data/mon_lib" Total number of atoms: 223184 Number of models: 1 Model: "" Number of chains: 83 Chain: "L0" Number of atoms: 5152 Number of conformers: 1 Conformer: "" Number of residues, atoms: 242, 5152 Classifications: {'RNA': 242} Modifications used: {'rna3p_pyr': 108, 'rna2p_pur': 18, 'rna3p_pur': 93, 'rna2p_pyr': 23} Link IDs: {'rna3p': 201, 'rna2p': 40} Chain breaks: 7 Chain: "L1" Number of atoms: 27777 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1301, 27777 Classifications: {'RNA': 1301} Modifications used: {'rna3p_pyr': 531, 'rna2p_pur': 108, 'rna3p_pur': 579, 'rna2p_pyr': 83} Link IDs: {'rna3p': 1110, 'rna2p': 190} Chain breaks: 26 Chain: "L2" Number of atoms: 4589 Number of conformers: 1 Conformer: "" Number of residues, atoms: 215, 4589 Classifications: {'RNA': 215} Modifications used: {'rna3p_pyr': 81, 'rna2p_pur': 23, 'rna3p_pur': 89, 'rna2p_pyr': 22} Link IDs: {'rna3p': 170, 'rna2p': 44} Chain: "L3" Number of atoms: 571 Number of conformers: 1 Conformer: "" Number of residues, atoms: 115, 571 Classifications: {'peptide': 115} Incomplete info: {'truncation_to_alanine': 105} Link IDs: {'PTRANS': 3, 'TRANS': 111} Unresolved chain link angles: 3 Unresolved non-hydrogen bonds: 353 Unresolved non-hydrogen angles: 463 Unresolved non-hydrogen dihedrals: 269 Unresolved non-hydrogen chiralities: 29 Planarities with less than four sites: {'GLN:plan1': 4, 'UNK:plan-1': 29, 'ASP:plan': 5, 'TYR:plan': 2, 'ASN:plan1': 4, 'TRP:plan': 1, 'HIS:plan': 2, 'PHE:plan': 3, 'GLU:plan': 5, 'ARG:plan': 10} Unresolved non-hydrogen planarities: 193 Chain: "L4" Number of atoms: 1902 Number of conformers: 1 Conformer: "" Number of residues, atoms: 239, 1902 Classifications: {'peptide': 239} Link IDs: {'PTRANS': 14, 'TRANS': 224} Chain: "L5" Number of atoms: 1501 Number of conformers: 1 Conformer: "" Number of residues, atoms: 190, 1501 Classifications: {'peptide': 190} Link IDs: {'PTRANS': 5, 'TRANS': 184} Chain: "L6" Number of atoms: 1811 Number of conformers: 1 Conformer: "" Number of residues, atoms: 223, 1811 Classifications: {'peptide': 223} Link IDs: {'PTRANS': 9, 'TRANS': 213} Chain breaks: 1 Chain: "L7" Number of atoms: 1346 Number of conformers: 1 Conformer: "" Number of residues, atoms: 168, 1346 Classifications: {'peptide': 168} Link IDs: {'PTRANS': 6, 'TRANS': 161} Chain breaks: 1 Chain: "L8" Number of atoms: 1474 Number of conformers: 1 Conformer: "" Number of residues, atoms: 180, 1474 Classifications: {'peptide': 180} Link IDs: {'PTRANS': 6, 'TRANS': 173} Chain breaks: 1 Chain: "L9" Number of atoms: 1425 Number of conformers: 1 Conformer: "" Number of residues, atoms: 171, 1425 Classifications: {'peptide': 171} Link IDs: {'PTRANS': 6, 'TRANS': 164} Chain: "LA" Number of atoms: 593 Number of conformers: 1 Conformer: "" Number of residues, atoms: 120, 593 Classifications: {'peptide': 120} Incomplete info: {'truncation_to_alanine': 102} Link IDs: {'PTRANS': 2, 'TRANS': 117} Unresolved chain link angles: 2 Unresolved non-hydrogen bonds: 349 Unresolved non-hydrogen angles: 439 Unresolved non-hydrogen dihedrals: 285 Unresolved non-hydrogen chiralities: 34 Planarities with less than four sites: {'GLN:plan1': 4, 'ASP:plan': 9, 'TYR:plan': 3, 'ASN:plan1': 4, 'TRP:plan': 1, 'HIS:plan': 3, 'PHE:plan': 1, 'GLU:plan': 10, 'ARG:plan': 5} Unresolved non-hydrogen planarities: 171 Chain: "LC" Number of atoms: 1098 Number of conformers: 1 Conformer: "" Number of residues, atoms: 139, 1098 Classifications: {'peptide': 139} Link IDs: {'PTRANS': 5, 'TRANS': 132, 'PCIS': 1} Chain: "LD" Number of atoms: 1204 Number of conformers: 1 Conformer: "" Number of residues, atoms: 147, 1204 Classifications: {'peptide': 147} Link IDs: {'PTRANS': 6, 'TRANS': 140} Chain: "LF" Number of atoms: 851 Number of conformers: 1 Conformer: "" Number of residues, atoms: 104, 851 Classifications: {'peptide': 104} Link IDs: {'PTRANS': 4, 'TRANS': 99} Chain: "LG" Number of atoms: 488 Number of conformers: 1 Conformer: "" Number of residues, atoms: 62, 488 Classifications: {'peptide': 62} Link IDs: {'PTRANS': 2, 'TRANS': 59} Chain: "LH" Number of atoms: 5987 Number of conformers: 1 Conformer: "" Number of residues, atoms: 746, 5987 Classifications: {'peptide': 746} Link IDs: {'PTRANS': 23, 'TRANS': 722} Chain breaks: 3 Chain: "LI" Number of atoms: 2675 Number of conformers: 1 Conformer: "" Number of residues, atoms: 537, 2675 Classifications: {'peptide': 537} Incomplete info: {'truncation_to_alanine': 509} Link IDs: {'PTRANS': 17, 'TRANS': 519} Chain breaks: 14 Unresolved chain link angles: 17 Unresolved non-hydrogen bonds: 1568 Unresolved non-hydrogen angles: 2075 Unresolved non-hydrogen dihedrals: 1215 Unresolved non-hydrogen chiralities: 144 Planarities with less than four sites: {'GLN:plan1': 20, 'ASN:plan1': 13, 'TYR:plan': 15, 'UNK:plan-1': 141, 'TRP:plan': 4, 'HIS:plan': 13, 'ARG:plan': 8, 'PHE:plan': 19, 'GLU:plan': 20, 'ASP:plan': 15} Unresolved non-hydrogen planarities: 745 Chain: "LJ" Number of atoms: 3711 Number of conformers: 1 Conformer: "" Number of residues, atoms: 469, 3711 Classifications: {'peptide': 469} Link IDs: {'PTRANS': 19, 'TRANS': 449} Chain breaks: 1 Chain: "LK" Number of atoms: 943 Number of conformers: 1 Conformer: "" Number of residues, atoms: 118, 943 Classifications: {'peptide': 118} Link IDs: {'PTRANS': 5, 'TRANS': 112} Chain: "LL" Number of atoms: 3982 Number of conformers: 1 Conformer: "" Number of residues, atoms: 510, 3982 Classifications: {'peptide': 510} Link IDs: {'PTRANS': 29, 'TRANS': 480} Chain breaks: 4 Chain: "LN" Number of atoms: 5299 Number of conformers: 1 Conformer: "" Number of residues, atoms: 671, 5299 Classifications: {'peptide': 671} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 32, 'TRANS': 638} Chain breaks: 1 Chain: "LO" Number of atoms: 6676 Number of conformers: 1 Conformer: "" Number of residues, atoms: 848, 6676 Classifications: {'peptide': 848} Link IDs: {'PTRANS': 27, 'TRANS': 820} Chain breaks: 1 Chain: "LP" Number of atoms: 4705 Number of conformers: 1 Conformer: "" Number of residues, atoms: 567, 4705 Classifications: {'peptide': 567} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 12, 'TRANS': 554} Chain breaks: 3 Chain: "LQ" Number of atoms: 6438 Number of conformers: 1 Conformer: "" Number of residues, atoms: 828, 6438 Classifications: {'peptide': 828} Incomplete info: {'truncation_to_alanine': 42} Link IDs: {'PTRANS': 18, 'TRANS': 809} Chain breaks: 8 Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 157 Unresolved non-hydrogen angles: 181 Unresolved non-hydrogen dihedrals: 138 Unresolved non-hydrogen chiralities: 6 Planarities with less than four sites: {'GLN:plan1': 2, 'ASP:plan': 2, 'ASN:plan1': 1, 'HIS:plan': 2, 'GLU:plan': 5, 'ARG:plan': 3} Unresolved non-hydrogen planarities: 62 Chain: "LS" Number of atoms: 3560 Number of conformers: 1 Conformer: "" Number of residues, atoms: 453, 3560 Classifications: {'peptide': 453} Link IDs: {'PTRANS': 16, 'TRANS': 436} Chain breaks: 2 Chain: "LT" Number of atoms: 6756 Number of conformers: 1 Conformer: "" Number of residues, atoms: 869, 6756 Classifications: {'peptide': 869} Incomplete info: {'truncation_to_alanine': 11} Link IDs: {'PTRANS': 40, 'TRANS': 828} Chain breaks: 2 Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 34 Unresolved non-hydrogen angles: 43 Unresolved non-hydrogen dihedrals: 26 Unresolved non-hydrogen chiralities: 3 Planarities with less than four sites: {'GLN:plan1': 3, 'GLU:plan': 1, 'ASN:plan1': 1} Unresolved non-hydrogen planarities: 19 Chain: "LU" Number of atoms: 3611 Number of conformers: 1 Conformer: "" Number of residues, atoms: 445, 3611 Classifications: {'peptide': 445} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 20, 'TRANS': 424} Chain: "LW" Number of atoms: 3519 Number of conformers: 1 Conformer: "" Number of residues, atoms: 453, 3519 Classifications: {'peptide': 453} Link IDs: {'PTRANS': 24, 'TRANS': 428} Chain breaks: 1 Chain: "LZ" Number of atoms: 1532 Number of conformers: 1 Conformer: "" Number of residues, atoms: 183, 1532 Classifications: {'peptide': 183} Link IDs: {'PTRANS': 5, 'TRANS': 177} Chain: "NA" Number of atoms: 2055 Number of conformers: 1 Conformer: "" Number of residues, atoms: 249, 2055 Classifications: {'peptide': 249} Link IDs: {'PTRANS': 12, 'TRANS': 236} Chain breaks: 2 Chain: "NB" Number of atoms: 617 Number of conformers: 1 Conformer: "" Number of residues, atoms: 73, 617 Classifications: {'peptide': 73} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 2, 'TRANS': 70} Chain: "ND" Number of atoms: 696 Number of conformers: 1 Conformer: "" Number of residues, atoms: 84, 696 Classifications: {'peptide': 84} Link IDs: {'PTRANS': 2, 'TRANS': 81} Chain: "NE" Number of atoms: 799 Number of conformers: 1 Conformer: "" Number of residues, atoms: 100, 799 Classifications: {'peptide': 100} Link IDs: {'PTRANS': 4, 'TRANS': 95} Chain breaks: 2 Chain: "NF" Number of atoms: 1202 Number of conformers: 1 Conformer: "" Number of residues, atoms: 149, 1202 Classifications: {'peptide': 149} Link IDs: {'PTRANS': 8, 'TRANS': 140} Chain: "NG" Number of atoms: 861 Number of conformers: 1 Conformer: "" Number of residues, atoms: 116, 861 Classifications: {'peptide': 116} Link IDs: {'PTRANS': 5, 'TRANS': 110} Chain: "NJ" Number of atoms: 6526 Number of conformers: 1 Conformer: "" Number of residues, atoms: 827, 6526 Classifications: {'peptide': 827} Incomplete info: {'truncation_to_alanine': 17} Link IDs: {'PTRANS': 41, 'TRANS': 784, 'PCIS': 1} Chain breaks: 8 Unresolved chain link angles: 3 Unresolved non-hydrogen bonds: 57 Unresolved non-hydrogen angles: 73 Unresolved non-hydrogen dihedrals: 46 Unresolved non-hydrogen chiralities: 5 Planarities with less than four sites: {'PHE:plan': 1, 'GLU:plan': 1, 'ASN:plan1': 3, 'GLN:plan1': 1, 'ARG:plan': 1} Unresolved non-hydrogen planarities: 28 Chain: "NM" Number of atoms: 1873 Number of conformers: 1 Conformer: "" Number of residues, atoms: 233, 1873 Classifications: {'peptide': 233} Link IDs: {'PTRANS': 5, 'TRANS': 227} Chain breaks: 1 Chain: "NN" Number of atoms: 340 Number of conformers: 1 Conformer: "" Number of residues, atoms: 42, 340 Classifications: {'peptide': 42} Link IDs: {'PTRANS': 1, 'TRANS': 40} Chain: "NO" 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': 2, 'TRANS': 125, 'PCIS': 1} Chain: "NQ" Number of atoms: 640 Number of conformers: 1 Conformer: "" Number of residues, atoms: 82, 640 Classifications: {'peptide': 82} Link IDs: {'PTRANS': 5, 'TRANS': 76} Chain: "NR" Number of atoms: 4305 Number of conformers: 1 Conformer: "" Number of residues, atoms: 861, 4305 Classifications: {'peptide': 861} Incomplete info: {'truncation_to_alanine': 861} Link IDs: {'TRANS': 860} Chain breaks: 41 Unresolved non-hydrogen bonds: 1722 Unresolved non-hydrogen angles: 2583 Unresolved non-hydrogen dihedrals: 861 Planarities with less than four sites: {'UNK:plan-1': 861} Unresolved non-hydrogen planarities: 861 Chain: "NT" Number of atoms: 286 Number of conformers: 1 Conformer: "" Number of residues, atoms: 58, 286 Classifications: {'peptide': 58} Incomplete info: {'truncation_to_alanine': 51} Link IDs: {'PTRANS': 1, 'TRANS': 56} Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 194 Unresolved non-hydrogen angles: 239 Unresolved non-hydrogen dihedrals: 172 Unresolved non-hydrogen chiralities: 10 Planarities with less than four sites: {'HIS:plan': 3, 'TYR:plan': 4, 'ASN:plan1': 1, 'ASP:plan': 3, 'PHE:plan': 2, 'GLU:plan': 3, 'ARG:plan': 5} Unresolved non-hydrogen planarities: 104 Chain: "NU" Number of atoms: 297 Number of conformers: 1 Conformer: "" Number of residues, atoms: 60, 297 Classifications: {'peptide': 60} Incomplete info: {'truncation_to_alanine': 53} Link IDs: {'PTRANS': 1, 'TRANS': 58} Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 205 Unresolved non-hydrogen angles: 255 Unresolved non-hydrogen dihedrals: 171 Unresolved non-hydrogen chiralities: 19 Planarities with less than four sites: {'GLN:plan1': 1, 'HIS:plan': 2, 'TYR:plan': 3, 'ASN:plan1': 3, 'ASP:plan': 1, 'PHE:plan': 1, 'GLU:plan': 3, 'ARG:plan': 7} Unresolved non-hydrogen planarities: 100 Chain: "NW" Number of atoms: 2498 Number of conformers: 1 Conformer: "" Number of residues, atoms: 311, 2498 Classifications: {'peptide': 311} Link IDs: {'PTRANS': 15, 'CIS': 1, 'TRANS': 294} Chain breaks: 2 Chain: "SA" Number of atoms: 3077 Number of conformers: 1 Conformer: "" Number of residues, atoms: 396, 3077 Classifications: {'peptide': 396} Link IDs: {'PTRANS': 8, 'TRANS': 387} Chain breaks: 2 Chain: "SB" Number of atoms: 3439 Number of conformers: 1 Conformer: "" Number of residues, atoms: 440, 3439 Classifications: {'peptide': 440} Link IDs: {'PTRANS': 12, 'TRANS': 427} Chain: "SC" Number of atoms: 1781 Number of conformers: 1 Conformer: "" Number of residues, atoms: 229, 1781 Classifications: {'peptide': 229} Link IDs: {'PTRANS': 13, 'TRANS': 215} Chain breaks: 1 Chain: "SD" Number of atoms: 1841 Number of conformers: 1 Conformer: "" Number of residues, atoms: 237, 1841 Classifications: {'peptide': 237} Link IDs: {'PTRANS': 13, 'TRANS': 223} Chain breaks: 1 Chain: "SE" Number of atoms: 968 Number of conformers: 1 Conformer: "" Number of residues, atoms: 125, 968 Classifications: {'peptide': 125} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 6, 'TRANS': 118} Chain: "SF" Number of atoms: 955 Number of conformers: 1 Conformer: "" Number of residues, atoms: 123, 955 Classifications: {'peptide': 123} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 6, 'TRANS': 116} Chain: "SH" Number of atoms: 2832 Number of conformers: 1 Conformer: "" Number of residues, atoms: 368, 2832 Classifications: {'peptide': 368} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 19, 'TRANS': 347, 'PCIS': 1} Chain: "SI" Number of atoms: 6801 Number of conformers: 1 Conformer: "" Number of residues, atoms: 844, 6801 Classifications: {'peptide': 844} Incomplete info: {'truncation_to_alanine': 7} Link IDs: {'PTRANS': 45, 'TRANS': 798} Chain breaks: 6 Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 23 Unresolved non-hydrogen angles: 28 Unresolved non-hydrogen dihedrals: 19 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'GLN:plan1': 3} Unresolved non-hydrogen planarities: 12 Chain: "SK" Number of atoms: 1579 Number of conformers: 1 Conformer: "" Number of residues, atoms: 204, 1579 Classifications: {'peptide': 204} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 11, 'TRANS': 191, 'PCIS': 1} Unresolved non-hydrogen bonds: 2 Unresolved non-hydrogen angles: 3 Unresolved non-hydrogen dihedrals: 1 Planarities with less than four sites: {'ARG:plan': 1} Unresolved non-hydrogen planarities: 2 Chain: "SL" Number of atoms: 1586 Number of conformers: 1 Conformer: "" Number of residues, atoms: 192, 1586 Classifications: {'peptide': 192} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 13, 'TRANS': 178} Chain: "SM" Number of atoms: 2369 Number of conformers: 1 Conformer: "" Number of residues, atoms: 290, 2369 Classifications: {'peptide': 290} Link IDs: {'PTRANS': 13, 'TRANS': 276} Chain: "SQ" Number of atoms: 1533 Number of conformers: 1 Conformer: "" Number of residues, atoms: 187, 1533 Classifications: {'peptide': 187} Link IDs: {'PTRANS': 9, 'TRANS': 177} Chain breaks: 1 Chain: "SR" Number of atoms: 816 Number of conformers: 1 Conformer: "" Number of residues, atoms: 108, 816 Classifications: {'peptide': 108} Link IDs: {'PTRANS': 5, 'TRANS': 102} Chain: "SS" Number of atoms: 1626 Number of conformers: 1 Conformer: "" Number of residues, atoms: 197, 1626 Classifications: {'peptide': 197} Link IDs: {'PTRANS': 13, 'TRANS': 181, 'PCIS': 2} Chain breaks: 2 Chain: "SX" Number of atoms: 885 Number of conformers: 1 Conformer: "" Number of residues, atoms: 177, 885 Classifications: {'peptide': 177} Incomplete info: {'truncation_to_alanine': 177} Link IDs: {'TRANS': 176} Chain breaks: 6 Unresolved non-hydrogen bonds: 354 Unresolved non-hydrogen angles: 531 Unresolved non-hydrogen dihedrals: 177 Planarities with less than four sites: {'UNK:plan-1': 177} Unresolved non-hydrogen planarities: 177 Chain: "SY" Number of atoms: 2024 Number of conformers: 1 Conformer: "" Number of residues, atoms: 238, 2024 Classifications: {'peptide': 238} Link IDs: {'PTRANS': 6, 'TRANS': 231} Chain breaks: 2 Chain: "NH" Number of atoms: 5265 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1066, 5265 Classifications: {'peptide': 1066} Incomplete info: {'truncation_to_alanine': 920} Link IDs: {'PTRANS': 82, 'TRANS': 983} Unresolved chain link angles: 82 Unresolved non-hydrogen bonds: 3323 Unresolved non-hydrogen angles: 4284 Unresolved non-hydrogen dihedrals: 2758 Unresolved non-hydrogen chiralities: 325 Planarities with less than four sites: {'GLN:plan1': 62, 'HIS:plan': 33, 'TYR:plan': 20, 'ASN:plan1': 18, 'TRP:plan': 14, 'ASP:plan': 54, 'PHE:plan': 45, 'GLU:plan': 56, 'ARG:plan': 78} Unresolved non-hydrogen planarities: 1779 Chain: "SP" Number of atoms: 11768 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1993, 11768 Classifications: {'peptide': 1993} Incomplete info: {'truncation_to_alanine': 1318} Link IDs: {'PTRANS': 79, 'TRANS': 1913} Chain breaks: 12 Unresolved chain link angles: 60 Unresolved non-hydrogen bonds: 4525 Unresolved non-hydrogen angles: 5777 Unresolved non-hydrogen dihedrals: 3701 Unresolved non-hydrogen chiralities: 530 Planarities with less than four sites: {'GLN:plan1': 64, 'ARG:plan': 46, 'TYR:plan': 34, 'ASN:plan1': 48, 'TRP:plan': 8, 'HIS:plan': 40, 'PHE:plan': 65, 'GLU:plan': 93, 'ASP:plan': 59} Unresolved non-hydrogen planarities: 2079 Chain: "LR" Number of atoms: 4321 Number of conformers: 1 Conformer: "" Number of residues, atoms: 773, 4321 Classifications: {'peptide': 773} Incomplete info: {'truncation_to_alanine': 515} Link IDs: {'PTRANS': 26, 'TRANS': 746} Chain breaks: 1 Unresolved chain link angles: 22 Unresolved non-hydrogen bonds: 1801 Unresolved non-hydrogen angles: 2341 Unresolved non-hydrogen dihedrals: 1509 Unresolved non-hydrogen chiralities: 190 Planarities with less than four sites: {'GLN:plan1': 34, 'HIS:plan': 23, 'TYR:plan': 8, 'ASN:plan1': 11, 'TRP:plan': 16, 'ASP:plan': 37, 'PHE:plan': 22, 'GLU:plan': 23, 'ARG:plan': 29} Unresolved non-hydrogen planarities: 964 Chain: "LM" Number of atoms: 13156 Number of conformers: 1 Conformer: "" Number of residues, atoms: 2005, 13156 Classifications: {'peptide': 2005} Incomplete info: {'truncation_to_alanine': 844} Link IDs: {'PTRANS': 81, 'TRANS': 1923} Chain breaks: 13 Unresolved chain link angles: 39 Unresolved non-hydrogen bonds: 2924 Unresolved non-hydrogen angles: 3725 Unresolved non-hydrogen dihedrals: 2390 Unresolved non-hydrogen chiralities: 323 Planarities with less than four sites: {'GLN:plan1': 49, 'HIS:plan': 18, 'TYR:plan': 16, 'ASN:plan1': 38, 'TRP:plan': 8, 'ASP:plan': 34, 'PHE:plan': 44, 'GLU:plan': 74, 'ARG:plan': 32} Unresolved non-hydrogen planarities: 1406 Chain: "N0" Number of atoms: 264 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 264 Classifications: {'RNA': 22} Modifications used: {'rna3p_pur': 22} Link IDs: {'rna3p': 21} Chain breaks: 1 Unresolved non-hydrogen bonds: 264 Unresolved non-hydrogen angles: 418 Unresolved non-hydrogen dihedrals: 198 Unresolved non-hydrogen chiralities: 22 Planarities with less than four sites: {' A%rna3p_pur:plan2': 22, ' A%rna3p_pur:plan': 22} Unresolved non-hydrogen planarities: 264 Chain: "SG" Number of atoms: 2878 Number of conformers: 1 Conformer: "A" Number of residues, atoms: 389, 2878 Classifications: {'peptide': 389} Incomplete info: {'truncation_to_alanine': 41} Link IDs: {'PTRANS': 12, 'TRANS': 376} Chain breaks: 2 Unresolved non-hydrogen bonds: 168 Unresolved non-hydrogen angles: 208 Unresolved non-hydrogen dihedrals: 133 Unresolved non-hydrogen chiralities: 10 Planarities with less than four sites: {'GLN:plan1': 6, 'TYR:plan': 1, 'ASP:plan': 2, 'PHE:plan': 1, 'GLU:plan': 11, 'ARG:plan': 6} Unresolved non-hydrogen planarities: 114 Chain: "NI" Number of atoms: 1459 Number of conformers: 1 Conformer: "" Number of residues, atoms: 234, 1459 Classifications: {'peptide': 234} Incomplete info: {'truncation_to_alanine': 129} Link IDs: {'PTRANS': 18, 'TRANS': 215} Unresolved chain link angles: 14 Unresolved non-hydrogen bonds: 455 Unresolved non-hydrogen angles: 583 Unresolved non-hydrogen dihedrals: 396 Unresolved non-hydrogen chiralities: 38 Planarities with less than four sites: {'GLN:plan1': 8, 'ASP:plan': 3, 'TYR:plan': 6, 'ASN:plan1': 1, 'TRP:plan': 2, 'HIS:plan': 5, 'PHE:plan': 6, 'GLU:plan': 8, 'ARG:plan': 5} Unresolved non-hydrogen planarities: 222 Chain: "SW" Number of atoms: 890 Number of conformers: 1 Conformer: "" Number of residues, atoms: 180, 890 Classifications: {'peptide': 180} Incomplete info: {'truncation_to_alanine': 155} Link IDs: {'PTRANS': 7, 'TRANS': 172} Unresolved chain link angles: 7 Unresolved non-hydrogen bonds: 558 Unresolved non-hydrogen angles: 706 Unresolved non-hydrogen dihedrals: 456 Unresolved non-hydrogen chiralities: 59 Planarities with less than four sites: {'GLN:plan1': 3, 'ASP:plan': 9, 'TYR:plan': 2, 'ASN:plan1': 9, 'TRP:plan': 1, 'HIS:plan': 3, 'PHE:plan': 10, 'GLU:plan': 10, 'ARG:plan': 14} Unresolved non-hydrogen planarities: 274 Chain: "ST" Number of atoms: 3064 Number of conformers: 1 Conformer: "" Number of residues, atoms: 568, 3064 Classifications: {'peptide': 568} Incomplete info: {'truncation_to_alanine': 460} Link IDs: {'PTRANS': 18, 'TRANS': 549} Chain breaks: 6 Unresolved chain link angles: 18 Unresolved non-hydrogen bonds: 1427 Unresolved non-hydrogen angles: 1867 Unresolved non-hydrogen dihedrals: 1094 Unresolved non-hydrogen chiralities: 121 Planarities with less than four sites: {'GLN:plan1': 17, 'UNK:plan-1': 126, 'ASP:plan': 15, 'TYR:plan': 7, 'ASN:plan1': 8, 'TRP:plan': 2, 'HIS:plan': 11, 'PHE:plan': 16, 'GLU:plan': 28, 'ARG:plan': 22} Unresolved non-hydrogen planarities: 703 Chain: "SU" Number of atoms: 2057 Number of conformers: 1 Conformer: "" Number of residues, atoms: 413, 2057 Classifications: {'peptide': 413} Incomplete info: {'truncation_to_alanine': 371} Link IDs: {'PTRANS': 22, 'TRANS': 390} Chain breaks: 8 Unresolved chain link angles: 22 Unresolved non-hydrogen bonds: 1207 Unresolved non-hydrogen angles: 1605 Unresolved non-hydrogen dihedrals: 945 Unresolved non-hydrogen chiralities: 89 Planarities with less than four sites: {'GLN:plan1': 8, 'HIS:plan': 15, 'ASN:plan1': 6, 'TYR:plan': 11, 'UNK:plan-1': 118, 'TRP:plan': 3, 'ASP:plan': 14, 'PHE:plan': 15, 'GLU:plan': 14, 'ARG:plan': 19} Unresolved non-hydrogen planarities: 630 Chain: "NK" Number of atoms: 4030 Number of conformers: 1 Conformer: "" Number of residues, atoms: 815, 4030 Classifications: {'peptide': 815} Incomplete info: {'truncation_to_alanine': 711} Link IDs: {'PTRANS': 41, 'TRANS': 773} Chain breaks: 6 Unresolved chain link angles: 41 Unresolved non-hydrogen bonds: 2585 Unresolved non-hydrogen angles: 3315 Unresolved non-hydrogen dihedrals: 2137 Unresolved non-hydrogen chiralities: 254 Planarities with less than four sites: {'GLN:plan1': 40, 'HIS:plan': 19, 'TYR:plan': 31, 'ASN:plan1': 31, 'TRP:plan': 6, 'ASP:plan': 37, 'PHE:plan': 34, 'GLU:plan': 48, 'ARG:plan': 50} Unresolved non-hydrogen planarities: 1376 Chain: "NY" Number of atoms: 2094 Number of conformers: 1 Conformer: "" Number of residues, atoms: 274, 2094 Classifications: {'peptide': 274} Incomplete info: {'truncation_to_alanine': 34} Link IDs: {'PTRANS': 17, 'TRANS': 256} Chain breaks: 1 Unresolved chain link angles: 3 Unresolved non-hydrogen bonds: 132 Unresolved non-hydrogen angles: 155 Unresolved non-hydrogen dihedrals: 114 Unresolved non-hydrogen chiralities: 4 Planarities with less than four sites: {'GLN:plan1': 4, 'GLU:plan': 5, 'ASN:plan1': 2, 'PHE:plan': 1, 'ARG:plan': 3} Unresolved non-hydrogen planarities: 63 Chain: "SZ" Number of atoms: 1442 Number of conformers: 1 Conformer: "" Number of residues, atoms: 290, 1442 Classifications: {'peptide': 290} Incomplete info: {'truncation_to_alanine': 259} Link IDs: {'PTRANS': 13, 'TRANS': 276} Chain breaks: 1 Unresolved chain link angles: 13 Unresolved non-hydrogen bonds: 917 Unresolved non-hydrogen angles: 1190 Unresolved non-hydrogen dihedrals: 748 Unresolved non-hydrogen chiralities: 76 Planarities with less than four sites: {'GLN:plan1': 9, 'HIS:plan': 5, 'ASN:plan1': 5, 'TYR:plan': 11, 'UNK:plan-1': 45, 'TRP:plan': 4, 'ASP:plan': 6, 'PHE:plan': 10, 'GLU:plan': 17, 'ARG:plan': 19} Unresolved non-hydrogen planarities: 475 Chain: "SJ" Number of atoms: 1008 Number of conformers: 1 Conformer: "" Number of residues, atoms: 204, 1008 Classifications: {'peptide': 204} Incomplete info: {'truncation_to_alanine': 181} Link IDs: {'PTRANS': 11, 'TRANS': 191, 'PCIS': 1} Unresolved chain link angles: 12 Unresolved non-hydrogen bonds: 603 Unresolved non-hydrogen angles: 771 Unresolved non-hydrogen dihedrals: 492 Unresolved non-hydrogen chiralities: 71 Planarities with less than four sites: {'GLN:plan1': 6, 'ASP:plan': 9, 'TYR:plan': 4, 'ASN:plan1': 7, 'TRP:plan': 1, 'HIS:plan': 6, 'PHE:plan': 7, 'GLU:plan': 10, 'ARG:plan': 10} Unresolved non-hydrogen planarities: 271 Chain: "L1" Number of atoms: 19 Number of conformers: 1 Conformer: "" Number of residues, atoms: 19, 19 Unusual residues: {' MG': 19} Classifications: {'undetermined': 19} Link IDs: {None: 18} Chain: "NQ" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {' ZN': 1} Classifications: {'undetermined': 1} Chain: "NT" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {' ZN': 1} Classifications: {'undetermined': 1} Chain: "SI" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 2, 33 Unusual residues: {'GTP': 1, ' MG': 1} Classifications: {'undetermined': 2} Link IDs: {None: 1} Chain: "SK" Number of atoms: 26 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 26 Classifications: {'peptide': 1} Modifications used: {'COO': 1} Chain: "SL" 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: "NH" Number of atoms: 32 Number of conformers: 1 Conformer: "" Number of residues, atoms: 2, 32 Unusual residues: {' MG': 1, 'ATP': 1} Classifications: {'undetermined': 2} Link IDs: {None: 1} Chain: "NK" Number of atoms: 31 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 31 Unusual residues: {'ATP': 1} Classifications: {'undetermined': 1} Chain: "SJ" Number of atoms: 26 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 26 Classifications: {'peptide': 1} Modifications used: {'COO': 1} List of CYS excluded from plausible disulfide bonds: (reason: may participate in coordination) ATOM A0L7A SG CYSNQ 37 57.553 128.436 293.504 1.00 76.03 S ATOM A0L7R SG CYSNQ 40 55.642 128.281 296.830 1.00 75.67 S ATOM A0LB9 SG CYSNQ 56 59.199 129.784 296.616 1.00 85.07 S ATOM A0LBQ SG CYSNQ 59 58.500 126.079 296.467 1.00 92.31 S ATOM A19R0 SG CYSSL 105 100.432 177.136 229.407 1.00 18.12 S ATOM A19XN SG CYSSL 134 99.108 179.931 228.962 1.00 18.65 S ATOM A19ZR SG CYSSL 144 102.934 179.294 228.559 1.00 32.07 S Time building chain proxies: 90.54, per 1000 atoms: 0.41 Number of scatterers: 223184 At special positions: 0 Unit cell: (315.36, 314.28, 395.28, 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 3 29.99 S 681 16.00 P 1789 15.00 Mg 22 11.99 O 46871 8.00 N 40637 7.00 C 133181 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=1, symmetry=0 Number of additional bonds: simple=1, symmetry=0 Coordination: Other bonds: Time building additional restraints: 72.70 Conformation dependent library (CDL) restraints added in 20.9 seconds Dynamic metal coordination Zn2+ tetrahedral coordination Zn2+ tetrahedral coordination pdb=" ZNNQ 101 " pdb="ZN ZNNQ 101 " - pdb=" SG CYSNQ 59 " pdb="ZN ZNNQ 101 " - pdb=" SG CYSNQ 40 " pdb="ZN ZNNQ 101 " - pdb=" SG CYSNQ 56 " pdb="ZN ZNNQ 101 " - pdb=" SG CYSNQ 37 " pdb=" ZNSL 201 " pdb="ZN ZNSL 201 " - pdb=" SG CYSSL 105 " pdb="ZN ZNSL 201 " - pdb=" SG CYSSL 144 " pdb="ZN ZNSL 201 " - pdb=" SG CYSSL 134 " Number of angles added : 6 49262 Ramachandran restraints generated. 24631 Oldfield, 0 Emsley, 24631 emsley8k and 0 Phi/Psi/2. Adding C-beta torsion restraints... Number of C-beta restraints generated: 50334 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: 847 helices and 258 sheets defined 47.5% alpha, 17.5% beta 415 base pairs and 913 stacking pairs defined. Time for finding SS restraints: 113.09 Creating SS restraints... Processing helix chain 'L3' and resid 25 through 32 removed outlier: 4.017A pdb=" N ALAL3 32 " --> pdb=" O PHEL3 28 " (cutoff:3.500A) Processing helix chain 'L3' and resid 37 through 49 Processing helix chain 'L3' and resid 60 through 74 Proline residue: L3 74 - end of helix Processing helix chain 'L3' and resid 80 through 85 removed outlier: 3.577A pdb=" N LEUL3 84 " --> pdb=" O PROL3 80 " (cutoff:3.500A) removed outlier: 5.353A pdb=" N ASNL3 85 " --> pdb=" O ASPL3 81 " (cutoff:3.500A) No H-bonds generated for 'chain 'L3' and resid 80 through 85' Processing helix chain 'L4' and resid 43 through 49 Processing helix chain 'L4' and resid 57 through 68 removed outlier: 3.698A pdb=" N GLNL4 67 " --> pdb=" O LYSL4 63 " (cutoff:3.500A) removed outlier: 4.261A pdb=" N ARGL4 68 " --> pdb=" O ILEL4 64 " (cutoff:3.500A) Processing helix chain 'L4' and resid 115 through 121 removed outlier: 4.042A pdb=" N LYSL4 120 " --> pdb=" O PROL4 116 " (cutoff:3.500A) removed outlier: 4.968A pdb=" N TYRL4 121 " --> pdb=" O GLUL4 117 " (cutoff:3.500A) Processing helix chain 'L5' and resid 24 through 29 removed outlier: 5.147A pdb=" N VALL5 28 " --> pdb=" O SERL5 24 " (cutoff:3.500A) removed outlier: 5.729A pdb=" N GLNL5 29 " --> pdb=" O THRL5 25 " (cutoff:3.500A) No H-bonds generated for 'chain 'L5' and resid 24 through 29' Processing helix chain 'L5' and resid 32 through 40 removed outlier: 4.919A pdb=" N ASPL5 37 " --> pdb=" O ILEL5 33 " (cutoff:3.500A) removed outlier: 5.215A pdb=" N TYRL5 38 " --> pdb=" O SERL5 34 " (cutoff:3.500A) removed outlier: 5.803A pdb=" N ALAL5 40 " --> pdb=" O GLNL5 36 " (cutoff:3.500A) Processing helix chain 'L5' and resid 61 through 67 removed outlier: 4.675A pdb=" N GLNL5 65 " --> pdb=" O PHEL5 61 " (cutoff:3.500A) removed outlier: 3.991A pdb=" N CYSL5 66 " --> pdb=" O ARGL5 62 " (cutoff:3.500A) Proline residue: L5 67 - end of helix No H-bonds generated for 'chain 'L5' and resid 61 through 67' Processing helix chain 'L5' and resid 68 through 81 removed outlier: 3.567A pdb=" N METL5 78 " --> pdb=" O ASNL5 74 " (cutoff:3.500A) removed outlier: 4.114A pdb=" N HISL5 79 " --> pdb=" O SERL5 75 " (cutoff:3.500A) removed outlier: 5.745A pdb=" N GLYL5 80 " --> pdb=" O METL5 76 " (cutoff:3.500A) removed outlier: 4.657A pdb=" N ARGL5 81 " --> pdb=" O METL5 77 " (cutoff:3.500A) Processing helix chain 'L5' and resid 85 through 104 removed outlier: 3.910A pdb=" N THRL5 89 " --> pdb=" O LYSL5 85 " (cutoff:3.500A) Processing helix chain 'L5' and resid 107 through 120 Processing helix chain 'L5' and resid 142 through 163 Processing helix chain 'L5' and resid 168 through 183 removed outlier: 3.527A pdb=" N CYSL5 172 " --> pdb=" O THRL5 168 " (cutoff:3.500A) Processing helix chain 'L5' and resid 187 through 204 Processing helix chain 'L6' and resid 20 through 28 removed outlier: 3.643A pdb=" N LEUL6 24 " --> pdb=" O ASPL6 20 " (cutoff:3.500A) removed outlier: 4.307A pdb=" N THRL6 26 " --> pdb=" O ARGL6 22 " (cutoff:3.500A) removed outlier: 4.853A pdb=" N PHEL6 27 " --> pdb=" O LYSL6 23 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N TYRL6 28 " --> pdb=" O LEUL6 24 " (cutoff:3.500A) Processing helix chain 'L6' and resid 38 through 43 removed outlier: 5.044A pdb=" N GLYL6 42 " --> pdb=" O ALAL6 38 " (cutoff:3.500A) removed outlier: 5.349A pdb=" N GLUL6 43 " --> pdb=" O ASPL6 39 " (cutoff:3.500A) No H-bonds generated for 'chain 'L6' and resid 38 through 43' Processing helix chain 'L6' and resid 137 through 146 Processing helix chain 'L6' and resid 152 through 157 removed outlier: 4.119A pdb=" N TYRL6 156 " --> pdb=" O ASPL6 152 " (cutoff:3.500A) removed outlier: 3.681A pdb=" N VALL6 157 " --> pdb=" O VALL6 153 " (cutoff:3.500A) No H-bonds generated for 'chain 'L6' and resid 152 through 157' Processing helix chain 'L6' and resid 183 through 233 Processing helix chain 'L7' and resid 17 through 33 Processing helix chain 'L7' and resid 36 through 44 removed outlier: 5.306A pdb=" N GLUL7 42 " --> pdb=" O ALAL7 38 " (cutoff:3.500A) removed outlier: 4.050A pdb=" N LEUL7 43 " --> pdb=" O GLNL7 39 " (cutoff:3.500A) removed outlier: 5.446A pdb=" N ASNL7 44 " --> pdb=" O LEUL7 40 " (cutoff:3.500A) Processing helix chain 'L7' and resid 65 through 76 removed outlier: 4.647A pdb=" N LYSL7 70 " --> pdb=" O VALL7 66 " (cutoff:3.500A) removed outlier: 5.076A pdb=" N SERL7 71 " --> pdb=" O PROL7 67 " (cutoff:3.500A) removed outlier: 4.064A pdb=" N ILEL7 75 " --> pdb=" O SERL7 71 " (cutoff:3.500A) Processing helix chain 'L7' and resid 77 through 88 removed outlier: 4.335A pdb=" N SERL7 88 " --> pdb=" O GLUL7 84 " (cutoff:3.500A) Processing helix chain 'L7' and resid 121 through 135 removed outlier: 3.764A pdb=" N PHEL7 135 " --> pdb=" O GLUL7 131 " (cutoff:3.500A) Processing helix chain 'L7' and resid 159 through 167 removed outlier: 4.236A pdb=" N GLNL7 163 " --> pdb=" O ASPL7 159 " (cutoff:3.500A) removed outlier: 5.132A pdb=" N ASNL7 164 " --> pdb=" O LYSL7 160 " (cutoff:3.500A) removed outlier: 6.279A pdb=" N ASNL7 165 " --> pdb=" O ALAL7 161 " (cutoff:3.500A) removed outlier: 3.579A pdb=" N VALL7 166 " --> pdb=" O GLNL7 162 " (cutoff:3.500A) Processing helix chain 'L7' and resid 169 through 181 Processing helix chain 'L8' and resid 87 through 94 removed outlier: 4.192A pdb=" N VALL8 91 " --> pdb=" O ASNL8 87 " (cutoff:3.500A) Processing helix chain 'L8' and resid 106 through 117 Processing helix chain 'L8' and resid 159 through 169 Processing helix chain 'L8' and resid 192 through 206 removed outlier: 3.564A pdb=" N LYSL8 206 " --> pdb=" O ILEL8 202 " (cutoff:3.500A) Processing helix chain 'L9' and resid 21 through 36 Processing helix chain 'L9' and resid 39 through 63 removed outlier: 4.139A pdb=" N VALL9 43 " --> pdb=" O ASNL9 39 " (cutoff:3.500A) removed outlier: 3.965A pdb=" N VALL9 46 " --> pdb=" O GLUL9 42 " (cutoff:3.500A) removed outlier: 4.012A pdb=" N LEUL9 63 " --> pdb=" O GLUL9 59 " (cutoff:3.500A) Processing helix chain 'L9' and resid 67 through 85 Processing helix chain 'L9' and resid 93 through 100 removed outlier: 3.603A pdb=" N LEUL9 100 " --> pdb=" O TYRL9 96 " (cutoff:3.500A) Processing helix chain 'L9' and resid 101 through 109 removed outlier: 4.062A pdb=" N PHEL9 105 " --> pdb=" O LYSL9 101 " (cutoff:3.500A) removed outlier: 3.989A pdb=" N ARGL9 108 " --> pdb=" O ASPL9 104 " (cutoff:3.500A) removed outlier: 4.061A pdb=" N ARGL9 109 " --> pdb=" O PHEL9 105 " (cutoff:3.500A) Processing helix chain 'L9' and resid 110 through 118 removed outlier: 4.001A pdb=" N GLYL9 118 " --> pdb=" O VALL9 114 " (cutoff:3.500A) Processing helix chain 'L9' and resid 122 through 133 removed outlier: 3.656A pdb=" N ARGL9 133 " --> pdb=" O LEUL9 129 " (cutoff:3.500A) Processing helix chain 'L9' and resid 150 through 155 removed outlier: 4.793A pdb=" N LYSL9 155 " --> pdb=" O LEUL9 151 " (cutoff:3.500A) Processing helix chain 'L9' and resid 171 through 181 Processing helix chain 'LA' and resid 11 through 29 removed outlier: 3.871A pdb=" N ASNLA 15 " --> pdb=" O VALLA 11 " (cutoff:3.500A) removed outlier: 4.185A pdb=" N LEULA 18 " --> pdb=" O VALLA 14 " (cutoff:3.500A) removed outlier: 4.745A pdb=" N ASPLA 29 " --> pdb=" O ALALA 25 " (cutoff:3.500A) Processing helix chain 'LA' and resid 34 through 45 Processing helix chain 'LA' and resid 60 through 73 removed outlier: 3.592A pdb=" N VALLA 65 " --> pdb=" O TYRLA 61 " (cutoff:3.500A) Processing helix chain 'LA' and resid 81 through 90 removed outlier: 4.074A pdb=" N LEULA 85 " --> pdb=" O ASPLA 81 " (cutoff:3.500A) removed outlier: 3.736A pdb=" N GLULA 87 " --> pdb=" O LYSLA 83 " (cutoff:3.500A) Processing helix chain 'LA' and resid 120 through 130 removed outlier: 4.083A pdb=" N ILELA 124 " --> pdb=" O ALALA 120 " (cutoff:3.500A) Processing helix chain 'LC' and resid 44 through 59 removed outlier: 4.162A pdb=" N GLNLC 48 " --> pdb=" O PROLC 44 " (cutoff:3.500A) removed outlier: 4.850A pdb=" N TYRLC 49 " --> pdb=" O ARGLC 45 " (cutoff:3.500A) removed outlier: 5.905A pdb=" N LYSLC 50 " --> pdb=" O THRLC 46 " (cutoff:3.500A) Proline residue: LC 54 - end of helix Processing helix chain 'LC' and resid 60 through 65 removed outlier: 4.827A pdb=" N GLYLC 65 " --> pdb=" O GLULC 61 " (cutoff:3.500A) Processing helix chain 'LC' and resid 76 through 99 Processing helix chain 'LC' and resid 101 through 116 removed outlier: 3.761A pdb=" N LYSLC 105 " --> pdb=" O ASPLC 101 " (cutoff:3.500A) Processing helix chain 'LC' and resid 129 through 134 removed outlier: 4.227A pdb=" N GLYLC 133 " --> pdb=" O SERLC 129 " (cutoff:3.500A) removed outlier: 4.897A pdb=" N GLYLC 134 " --> pdb=" O LYSLC 130 " (cutoff:3.500A) No H-bonds generated for 'chain 'LC' and resid 129 through 134' Processing helix chain 'LD' and resid 23 through 30 removed outlier: 3.582A pdb=" N GLYLD 29 " --> pdb=" O LEULD 25 " (cutoff:3.500A) removed outlier: 4.014A pdb=" N LYSLD 30 " --> pdb=" O GLYLD 26 " (cutoff:3.500A) Processing helix chain 'LD' and resid 47 through 53 removed outlier: 3.620A pdb=" N ILELD 51 " --> pdb=" O PROLD 47 " (cutoff:3.500A) Processing helix chain 'LF' and resid 36 through 49 Processing helix chain 'LF' and resid 51 through 56 removed outlier: 4.577A pdb=" N ILELF 55 " --> pdb=" O THRLF 51 " (cutoff:3.500A) removed outlier: 5.625A pdb=" N PHELF 56 " --> pdb=" O PROLF 52 " (cutoff:3.500A) No H-bonds generated for 'chain 'LF' and resid 51 through 56' Processing helix chain 'LF' and resid 78 through 86 Processing helix chain 'LF' and resid 87 through 95 Processing helix chain 'LH' and resid 157 through 162 removed outlier: 4.602A pdb=" N ILELH 161 " --> pdb=" O SERLH 157 " (cutoff:3.500A) removed outlier: 5.291A pdb=" N ALALH 162 " --> pdb=" O PROLH 158 " (cutoff:3.500A) No H-bonds generated for 'chain 'LH' and resid 157 through 162' Processing helix chain 'LH' and resid 645 through 654 removed outlier: 4.822A pdb=" N TRPLH 650 " --> pdb=" O GLULH 646 " (cutoff:3.500A) removed outlier: 5.960A pdb=" N LEULH 651 " --> pdb=" O ALALH 647 " (cutoff:3.500A) removed outlier: 4.388A pdb=" N ASNLH 652 " --> pdb=" O TYRLH 648 " (cutoff:3.500A) removed outlier: 4.393A pdb=" N ARGLH 653 " --> pdb=" O GLNLH 649 " (cutoff:3.500A) removed outlier: 4.208A pdb=" N SERLH 654 " --> pdb=" O TRPLH 650 " (cutoff:3.500A) Processing helix chain 'LH' and resid 694 through 700 removed outlier: 3.927A pdb=" N GLYLH 700 " --> pdb=" O TYRLH 696 " (cutoff:3.500A) Processing helix chain 'LH' and resid 723 through 728 removed outlier: 3.550A pdb=" N ILELH 727 " --> pdb=" O LEULH 723 " (cutoff:3.500A) Proline residue: LH 728 - end of helix No H-bonds generated for 'chain 'LH' and resid 723 through 728' Processing helix chain 'LH' and resid 729 through 736 removed outlier: 3.753A pdb=" N THRLH 736 " --> pdb=" O GLULH 732 " (cutoff:3.500A) Processing helix chain 'LH' and resid 743 through 757 removed outlier: 5.470A pdb=" N LEULH 757 " --> pdb=" O ASNLH 753 " (cutoff:3.500A) Processing helix chain 'LH' and resid 803 through 822 removed outlier: 3.624A pdb=" N GLULH 813 " --> pdb=" O SERLH 809 " (cutoff:3.500A) removed outlier: 5.416A pdb=" N LYSLH 814 " --> pdb=" O LYSLH 810 " (cutoff:3.500A) removed outlier: 5.804A pdb=" N GLULH 815 " --> pdb=" O SERLH 811 " (cutoff:3.500A) removed outlier: 3.665A pdb=" N LEULH 816 " --> pdb=" O GLULH 812 " (cutoff:3.500A) removed outlier: 4.052A pdb=" N LYSLH 821 " --> pdb=" O ARGLH 817 " (cutoff:3.500A) removed outlier: 4.260A pdb=" N ILELH 822 " --> pdb=" O LYSLH 818 " (cutoff:3.500A) Processing helix chain 'LI' and resid 396 through 408 removed outlier: 3.785A pdb=" N METLI 406 " --> pdb=" O LEULI 402 " (cutoff:3.500A) removed outlier: 5.402A pdb=" N LYSLI 407 " --> pdb=" O SERLI 403 " (cutoff:3.500A) removed outlier: 4.383A pdb=" N ASPLI 408 " --> pdb=" O THRLI 404 " (cutoff:3.500A) Processing helix chain 'LI' and resid 409 through 424 removed outlier: 5.208A pdb=" N LYSLI 424 " --> pdb=" O PHELI 420 " (cutoff:3.500A) Processing helix chain 'LI' and resid 428 through 448 removed outlier: 4.044A pdb=" N THRLI 438 " --> pdb=" O GLYLI 434 " (cutoff:3.500A) Proline residue: LI 448 - end of helix Processing helix chain 'LI' and resid 452 through 463 removed outlier: 4.068A pdb=" N HISLI 463 " --> pdb=" O LEULI 459 " (cutoff:3.500A) Processing helix chain 'LI' and resid 466 through 471 Proline residue: LI 471 - end of helix Processing helix chain 'LI' and resid 472 through 481 Processing helix chain 'LI' and resid 482 through 493 Processing helix chain 'LI' and resid 497 through 511 Processing helix chain 'LI' and resid 581 through 594 removed outlier: 3.849A pdb=" N SERLI 594 " --> pdb=" O ALALI 590 " (cutoff:3.500A) Processing helix chain 'LI' and resid 597 through 606 Proline residue: LI 603 - end of helix removed outlier: 3.715A pdb=" N LYSLI 606 " --> pdb=" O LEULI 602 " (cutoff:3.500A) Processing helix chain 'LI' and resid 609 through 631 removed outlier: 3.681A pdb=" N ASNLI 630 " --> pdb=" O LYSLI 626 " (cutoff:3.500A) removed outlier: 5.536A pdb=" N ALALI 631 " --> pdb=" O CYSLI 627 " (cutoff:3.500A) Processing helix chain 'LI' and resid 642 through 658 removed outlier: 3.705A pdb=" N ASNLI 657 " --> pdb=" O LEULI 653 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N PHELI 658 " --> pdb=" O LEULI 654 " (cutoff:3.500A) Processing helix chain 'LI' and resid 659 through 665 Proline residue: LI 665 - end of helix Processing helix chain 'LI' and resid 666 through 702 removed outlier: 4.096A pdb=" N LEULI 670 " --> pdb=" O GLULI 666 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N ILELI 691 " --> pdb=" O GLULI 687 " (cutoff:3.500A) removed outlier: 4.934A pdb=" N VALLI 693 " --> pdb=" O ASNLI 689 " (cutoff:3.500A) removed outlier: 6.097A pdb=" N SERLI 694 " --> pdb=" O LYSLI 690 " (cutoff:3.500A) removed outlier: 3.665A pdb=" N PHELI 695 " --> pdb=" O ILELI 691 " (cutoff:3.500A) removed outlier: 3.852A pdb=" N ARGLI 696 " --> pdb=" O GLULI 692 " (cutoff:3.500A) removed outlier: 3.507A pdb=" N GLULI 697 " --> pdb=" O VALLI 693 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N LEULI 698 " --> pdb=" O SERLI 694 " (cutoff:3.500A) removed outlier: 5.752A pdb=" N GLNLI 699 " --> pdb=" O PHELI 695 " (cutoff:3.500A) removed outlier: 6.787A pdb=" N LYSLI 700 " --> pdb=" O ARGLI 696 " (cutoff:3.500A) removed outlier: 4.586A pdb=" N LEULI 701 " --> pdb=" O GLULI 697 " (cutoff:3.500A) removed outlier: 4.352A pdb=" N ASNLI 702 " --> pdb=" O LEULI 698 " (cutoff:3.500A) Processing helix chain 'LJ' and resid 20 through 28 removed outlier: 3.602A pdb=" N ASNLJ 28 " --> pdb=" O LEULJ 24 " (cutoff:3.500A) Processing helix chain 'LJ' and resid 362 through 371 Processing helix chain 'LJ' and resid 372 through 382 removed outlier: 3.523A pdb=" N ASPLJ 382 " --> pdb=" O ASPLJ 378 " (cutoff:3.500A) Processing helix chain 'LJ' and resid 383 through 389 Processing helix chain 'LJ' and resid 390 through 404 Processing helix chain 'LJ' and resid 405 through 411 Processing helix chain 'LJ' and resid 414 through 429 removed outlier: 3.916A pdb=" N HISLJ 420 " --> pdb=" O LYSLJ 416 " (cutoff:3.500A) removed outlier: 3.680A pdb=" N VALLJ 421 " --> pdb=" O GLULJ 417 " (cutoff:3.500A) Processing helix chain 'LJ' and resid 434 through 450 Processing helix chain 'LJ' and resid 456 through 492 Processing helix chain 'LK' and resid 463 through 473 Processing helix chain 'LK' and resid 474 through 484 removed outlier: 4.842A pdb=" N THRLK 484 " --> pdb=" O LYSLK 480 " (cutoff:3.500A) Processing helix chain 'LK' and resid 486 through 497 removed outlier: 3.771A pdb=" N ILELK 490 " --> pdb=" O ASNLK 486 " (cutoff:3.500A) removed outlier: 6.574A pdb=" N LYSLK 491 " --> pdb=" O VALLK 487 " (cutoff:3.500A) removed outlier: 4.048A pdb=" N LYSLK 492 " --> pdb=" O ASNLK 488 " (cutoff:3.500A) removed outlier: 4.078A pdb=" N METLK 497 " --> pdb=" O THRLK 493 " (cutoff:3.500A) Processing helix chain 'LK' and resid 499 through 516 removed outlier: 4.628A pdb=" N ILELK 503 " --> pdb=" O LEULK 499 " (cutoff:3.500A) Proline residue: LK 504 - end of helix removed outlier: 3.652A pdb=" N GLNLK 507 " --> pdb=" O ILELK 503 " (cutoff:3.500A) removed outlier: 3.658A pdb=" N GLYLK 515 " --> pdb=" O LYSLK 511 " (cutoff:3.500A) removed outlier: 5.063A pdb=" N HISLK 516 " --> pdb=" O ARGLK 512 " (cutoff:3.500A) Processing helix chain 'LK' and resid 517 through 534 removed outlier: 4.160A pdb=" N VALLK 521 " --> pdb=" O PROLK 517 " (cutoff:3.500A) removed outlier: 6.080A pdb=" N LEULK 522 " --> pdb=" O ASNLK 518 " (cutoff:3.500A) removed outlier: 3.924A pdb=" N METLK 523 " --> pdb=" O SERLK 519 " (cutoff:3.500A) removed outlier: 3.568A pdb=" N VALLK 533 " --> pdb=" O CYSLK 529 " (cutoff:3.500A) Processing helix chain 'LK' and resid 535 through 542 Proline residue: LK 542 - end of helix Processing helix chain 'LK' and resid 543 through 549 removed outlier: 4.367A pdb=" N GLNLK 547 " --> pdb=" O ASPLK 543 " (cutoff:3.500A) Processing helix chain 'LK' and resid 550 through 563 removed outlier: 4.096A pdb=" N THRLK 561 " --> pdb=" O SERLK 557 " (cutoff:3.500A) removed outlier: 4.035A pdb=" N PHELK 562 " --> pdb=" O ARGLK 558 " (cutoff:3.500A) removed outlier: 5.485A pdb=" N GLNLK 563 " --> pdb=" O VALLK 559 " (cutoff:3.500A) Processing helix chain 'LK' and resid 564 through 580 Processing helix chain 'LL' and resid 56 through 61 removed outlier: 3.576A pdb=" N THRLL 61 " --> pdb=" O HISLL 57 " (cutoff:3.500A) Processing helix chain 'LL' and resid 408 through 413 removed outlier: 4.534A pdb=" N HISLL 412 " --> pdb=" O ILELL 408 " (cutoff:3.500A) removed outlier: 5.111A pdb=" N ALALL 413 " --> pdb=" O PROLL 409 " (cutoff:3.500A) No H-bonds generated for 'chain 'LL' and resid 408 through 413' Processing helix chain 'LL' and resid 462 through 473 removed outlier: 4.138A pdb=" N ASNLL 473 " --> pdb=" O GLYLL 469 " (cutoff:3.500A) Processing helix chain 'LL' and resid 474 through 483 Processing helix chain 'LL' and resid 486 through 497 Processing helix chain 'LL' and resid 501 through 514 removed outlier: 3.710A pdb=" N LEULL 505 " --> pdb=" O THRLL 501 " (cutoff:3.500A) removed outlier: 4.534A pdb=" N GLNLL 514 " --> pdb=" O THRLL 510 " (cutoff:3.500A) Processing helix chain 'LL' and resid 517 through 532 removed outlier: 4.478A pdb=" N LEULL 522 " --> pdb=" O ASNLL 518 " (cutoff:3.500A) removed outlier: 3.576A pdb=" N METLL 523 " --> pdb=" O SERLL 519 " (cutoff:3.500A) Processing helix chain 'LL' and resid 536 through 543 removed outlier: 4.763A pdb=" N THRLL 540 " --> pdb=" O SERLL 536 " (cutoff:3.500A) removed outlier: 4.226A pdb=" N LEULL 541 " --> pdb=" O TYRLL 537 " (cutoff:3.500A) Proline residue: LL 542 - end of helix No H-bonds generated for 'chain 'LL' and resid 536 through 543' Processing helix chain 'LL' and resid 544 through 580 removed outlier: 4.040A pdb=" N LEULL 548 " --> pdb=" O LEULL 544 " (cutoff:3.500A) removed outlier: 3.601A pdb=" N THRLL 550 " --> pdb=" O PROLL 546 " (cutoff:3.500A) removed outlier: 4.134A pdb=" N LEULL 551 " --> pdb=" O GLNLL 547 " (cutoff:3.500A) removed outlier: 4.065A pdb=" N LYSLL 560 " --> pdb=" O GLULL 556 " (cutoff:3.500A) removed outlier: 5.567A pdb=" N THRLL 561 " --> pdb=" O SERLL 557 " (cutoff:3.500A) removed outlier: 6.145A pdb=" N PHELL 562 " --> pdb=" O ARGLL 558 " (cutoff:3.500A) removed outlier: 6.341A pdb=" N GLNLL 563 " --> pdb=" O VALLL 559 " (cutoff:3.500A) removed outlier: 5.850A pdb=" N LYSLL 564 " --> pdb=" O LYSLL 560 " (cutoff:3.500A) Processing helix chain 'LN' and resid 322 through 327 removed outlier: 4.237A pdb=" N ALALN 326 " --> pdb=" O ASNLN 322 " (cutoff:3.500A) removed outlier: 5.872A pdb=" N LEULN 327 " --> pdb=" O TYRLN 323 " (cutoff:3.500A) No H-bonds generated for 'chain 'LN' and resid 322 through 327' Processing helix chain 'LN' and resid 561 through 571 Processing helix chain 'LN' and resid 573 through 579 removed outlier: 4.618A pdb=" N ARGLN 579 " --> pdb=" O LEULN 575 " (cutoff:3.500A) Processing helix chain 'LN' and resid 667 through 676 removed outlier: 3.713A pdb=" N ILELN 671 " --> pdb=" O PROLN 667 " (cutoff:3.500A) removed outlier: 4.076A pdb=" N LEULN 675 " --> pdb=" O ILELN 671 " (cutoff:3.500A) Proline residue: LN 676 - end of helix Processing helix chain 'LO' and resid 231 through 239 removed outlier: 4.125A pdb=" N ASPLO 235 " --> pdb=" O GLYLO 231 " (cutoff:3.500A) removed outlier: 3.618A pdb=" N ARGLO 239 " --> pdb=" O ASPLO 235 " (cutoff:3.500A) Processing helix chain 'LO' and resid 583 through 588 removed outlier: 3.760A pdb=" N LEULO 587 " --> pdb=" O GLYLO 583 " (cutoff:3.500A) removed outlier: 5.396A pdb=" N LYSLO 588 " --> pdb=" O ARGLO 584 " (cutoff:3.500A) No H-bonds generated for 'chain 'LO' and resid 583 through 588' Processing helix chain 'LO' and resid 598 through 607 removed outlier: 3.840A pdb=" N GLYLO 605 " --> pdb=" O HISLO 601 " (cutoff:3.500A) removed outlier: 3.521A pdb=" N LYSLO 606 " --> pdb=" O ALALO 602 " (cutoff:3.500A) removed outlier: 5.445A pdb=" N ALALO 607 " --> pdb=" O ALALO 603 " (cutoff:3.500A) Processing helix chain 'LO' and resid 669 through 680 removed outlier: 4.307A pdb=" N ASPLO 673 " --> pdb=" O LEULO 669 " (cutoff:3.500A) removed outlier: 4.798A pdb=" N ASPLO 680 " --> pdb=" O ALALO 676 " (cutoff:3.500A) Processing helix chain 'LO' and resid 731 through 736 removed outlier: 4.536A pdb=" N LEULO 735 " --> pdb=" O ASPLO 731 " (cutoff:3.500A) removed outlier: 4.891A pdb=" N PHELO 736 " --> pdb=" O THRLO 732 " (cutoff:3.500A) No H-bonds generated for 'chain 'LO' and resid 731 through 736' Processing helix chain 'LO' and resid 746 through 757 Processing helix chain 'LO' and resid 758 through 770 removed outlier: 4.651A pdb=" N ASNLO 770 " --> pdb=" O ALALO 766 " (cutoff:3.500A) Processing helix chain 'LO' and resid 771 through 782 removed outlier: 3.935A pdb=" N VALLO 782 " --> pdb=" O ALALO 778 " (cutoff:3.500A) Processing helix chain 'LO' and resid 786 through 794 Processing helix chain 'LO' and resid 796 through 813 removed outlier: 4.497A pdb=" N GLULO 800 " --> pdb=" O GLULO 796 " (cutoff:3.500A) removed outlier: 4.337A pdb=" N LYSLO 801 " --> pdb=" O LEULO 797 " (cutoff:3.500A) removed outlier: 4.159A pdb=" N GLULO 811 " --> pdb=" O ALALO 807 " (cutoff:3.500A) removed outlier: 4.126A pdb=" N VALLO 812 " --> pdb=" O SERLO 808 " (cutoff:3.500A) Processing helix chain 'LO' and resid 815 through 831 removed outlier: 3.756A pdb=" N TYRLO 819 " --> pdb=" O HISLO 815 " (cutoff:3.500A) Processing helix chain 'LO' and resid 832 through 838 removed outlier: 3.893A pdb=" N SERLO 836 " --> pdb=" O GLNLO 832 " (cutoff:3.500A) removed outlier: 4.069A pdb=" N ARGLO 837 " --> pdb=" O LYSLO 833 " (cutoff:3.500A) Processing helix chain 'LO' and resid 843 through 880 removed outlier: 3.792A pdb=" N HISLO 855 " --> pdb=" O SERLO 851 " (cutoff:3.500A) removed outlier: 3.793A pdb=" N LEULO 856 " --> pdb=" O ILELO 852 " (cutoff:3.500A) removed outlier: 3.811A pdb=" N ASPLO 858 " --> pdb=" O ARGLO 854 " (cutoff:3.500A) removed outlier: 4.135A pdb=" N SERLO 864 " --> pdb=" O SERLO 860 " (cutoff:3.500A) removed outlier: 3.632A pdb=" N TRPLO 865 " --> pdb=" O LYSLO 861 " (cutoff:3.500A) removed outlier: 3.999A pdb=" N ASNLO 869 " --> pdb=" O TRPLO 865 " (cutoff:3.500A) removed outlier: 3.745A pdb=" N LYSLO 878 " --> pdb=" O LEULO 874 " (cutoff:3.500A) Processing helix chain 'LP' and resid 1 through 23 removed outlier: 4.576A pdb=" N ILELP 5 " --> pdb=" O METLP 1 " (cutoff:3.500A) Proline residue: LP 14 - end of helix Processing helix chain 'LP' and resid 26 through 46 removed outlier: 3.632A pdb=" N LYSLP 43 " --> pdb=" O ASPLP 39 " (cutoff:3.500A) removed outlier: 3.718A pdb=" N ILELP 44 " --> pdb=" O LEULP 40 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N GLNLP 45 " --> pdb=" O GLULP 41 " (cutoff:3.500A) removed outlier: 4.114A pdb=" N ARGLP 46 " --> pdb=" O TYRLP 42 " (cutoff:3.500A) Processing helix chain 'LP' and resid 50 through 76 removed outlier: 3.850A pdb=" N PHELP 54 " --> pdb=" O PHELP 50 " (cutoff:3.500A) removed outlier: 3.652A pdb=" N THRLP 73 " --> pdb=" O GLNLP 69 " (cutoff:3.500A) removed outlier: 3.599A pdb=" N ARGLP 74 " --> pdb=" O ARGLP 70 " (cutoff:3.500A) Processing helix chain 'LP' and resid 80 through 104 removed outlier: 3.834A pdb=" N ILELP 84 " --> pdb=" O LYSLP 80 " (cutoff:3.500A) removed outlier: 3.813A pdb=" N ASNLP 86 " --> pdb=" O ASPLP 82 " (cutoff:3.500A) removed outlier: 4.476A pdb=" N SERLP 87 " --> pdb=" O GLULP 83 " (cutoff:3.500A) removed outlier: 3.576A pdb=" N LYSLP 104 " --> pdb=" O SERLP 100 " (cutoff:3.500A) Processing helix chain 'LP' and resid 106 through 120 removed outlier: 3.575A pdb=" N TRPLP 110 " --> pdb=" O ASPLP 106 " (cutoff:3.500A) Processing helix chain 'LP' and resid 122 through 137 removed outlier: 3.756A pdb=" N ILELP 136 " --> pdb=" O ALALP 132 " (cutoff:3.500A) Processing helix chain 'LP' and resid 140 through 153 removed outlier: 3.703A pdb=" N TRPLP 144 " --> pdb=" O LYSLP 140 " (cutoff:3.500A) removed outlier: 3.523A pdb=" N GLULP 151 " --> pdb=" O ALALP 147 " (cutoff:3.500A) Processing helix chain 'LP' and resid 157 through 173 removed outlier: 3.506A pdb=" N ALALP 161 " --> pdb=" O SERLP 157 " (cutoff:3.500A) removed outlier: 3.660A pdb=" N ARGLP 170 " --> pdb=" O LEULP 166 " (cutoff:3.500A) Proline residue: LP 173 - end of helix Processing helix chain 'LP' and resid 175 through 200 removed outlier: 3.700A pdb=" N TYRLP 179 " --> pdb=" O CYSLP 175 " (cutoff:3.500A) Processing helix chain 'LP' and resid 213 through 219 removed outlier: 3.731A pdb=" N GLYLP 219 " --> pdb=" O GLULP 215 " (cutoff:3.500A) Processing helix chain 'LP' and resid 220 through 234 removed outlier: 4.101A pdb=" N ILELP 225 " --> pdb=" O LEULP 221 " (cutoff:3.500A) removed outlier: 3.792A pdb=" N LYSLP 234 " --> pdb=" O VALLP 230 " (cutoff:3.500A) Processing helix chain 'LP' and resid 235 through 250 removed outlier: 3.528A pdb=" N HISLP 239 " --> pdb=" O GLYLP 235 " (cutoff:3.500A) removed outlier: 3.598A pdb=" N ILELP 245 " --> pdb=" O SERLP 241 " (cutoff:3.500A) removed outlier: 3.574A pdb=" N PHELP 249 " --> pdb=" O ILELP 245 " (cutoff:3.500A) removed outlier: 5.232A pdb=" N ASPLP 250 " --> pdb=" O ALALP 246 " (cutoff:3.500A) Processing helix chain 'LP' and resid 252 through 266 removed outlier: 3.694A pdb=" N GLNLP 256 " --> pdb=" O ALALP 252 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N GLNLP 264 " --> pdb=" O TYRLP 260 " (cutoff:3.500A) removed outlier: 3.560A pdb=" N ALALP 265 " --> pdb=" O ASPLP 261 " (cutoff:3.500A) Processing helix chain 'LP' and resid 270 through 283 removed outlier: 3.960A pdb=" N TRPLP 274 " --> pdb=" O ASPLP 270 " (cutoff:3.500A) Processing helix chain 'LP' and resid 296 through 320 removed outlier: 3.805A pdb=" N LYSLP 305 " --> pdb=" O GLULP 301 " (cutoff:3.500A) Processing helix chain 'LP' and resid 322 through 339 removed outlier: 4.015A pdb=" N TRPLP 326 " --> pdb=" O THRLP 322 " (cutoff:3.500A) removed outlier: 3.729A pdb=" N LYSLP 327 " --> pdb=" O GLULP 323 " (cutoff:3.500A) removed outlier: 3.828A pdb=" N CYSLP 328 " --> pdb=" O ALALP 324 " (cutoff:3.500A) removed outlier: 3.603A pdb=" N TYRLP 329 " --> pdb=" O METLP 325 " (cutoff:3.500A) Processing helix chain 'LP' and resid 346 through 365 removed outlier: 3.801A pdb=" N THRLP 356 " --> pdb=" O GLULP 352 " (cutoff:3.500A) removed outlier: 3.548A pdb=" N LEULP 364 " --> pdb=" O LYSLP 360 " (cutoff:3.500A) Processing helix chain 'LP' and resid 368 through 383 removed outlier: 3.624A pdb=" N TYRLP 372 " --> pdb=" O SERLP 368 " (cutoff:3.500A) removed outlier: 3.565A pdb=" N LYSLP 373 " --> pdb=" O GLULP 369 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N TYRLP 382 " --> pdb=" O SERLP 378 " (cutoff:3.500A) removed outlier: 3.710A pdb=" N ASNLP 383 " --> pdb=" O LEULP 379 " (cutoff:3.500A) Processing helix chain 'LP' and resid 384 through 400 removed outlier: 4.085A pdb=" N ALALP 388 " --> pdb=" O PHELP 384 " (cutoff:3.500A) removed outlier: 4.009A pdb=" N LEULP 389 " --> pdb=" O LEULP 385 " (cutoff:3.500A) removed outlier: 3.580A pdb=" N GLULP 390 " --> pdb=" O ARGLP 386 " (cutoff:3.500A) removed outlier: 3.532A pdb=" N GLULP 397 " --> pdb=" O VALLP 393 " (cutoff:3.500A) removed outlier: 3.600A pdb=" N LEULP 398 " --> pdb=" O ALALP 394 " (cutoff:3.500A) Processing helix chain 'LP' and resid 402 through 417 removed outlier: 3.647A pdb=" N TRPLP 406 " --> pdb=" O SERLP 402 " (cutoff:3.500A) Processing helix chain 'LP' and resid 420 through 433 removed outlier: 3.644A pdb=" N GLULP 426 " --> pdb=" O ALALP 422 " (cutoff:3.500A) removed outlier: 4.534A pdb=" N LYSLP 433 " --> pdb=" O PHELP 429 " (cutoff:3.500A) Processing helix chain 'LP' and resid 437 through 452 Processing helix chain 'LP' and resid 453 through 469 removed outlier: 4.887A pdb=" N ILELP 469 " --> pdb=" O LEULP 465 " (cutoff:3.500A) Processing helix chain 'LP' and resid 472 through 488 removed outlier: 4.006A pdb=" N LEULP 476 " --> pdb=" O ASPLP 472 " (cutoff:3.500A) Processing helix chain 'LP' and resid 489 through 501 Processing helix chain 'LP' and resid 507 through 522 removed outlier: 3.994A pdb=" N PHELP 511 " --> pdb=" O SERLP 507 " (cutoff:3.500A) removed outlier: 5.417A pdb=" N GLULP 522 " --> pdb=" O GLULP 518 " (cutoff:3.500A) Processing helix chain 'LP' and resid 525 through 540 removed outlier: 3.554A pdb=" N ARGLP 535 " --> pdb=" O GLULP 531 " (cutoff:3.500A) Processing helix chain 'LP' and resid 544 through 557 removed outlier: 3.881A pdb=" N TRPLP 548 " --> pdb=" O ASPLP 544 " (cutoff:3.500A) Processing helix chain 'LP' and resid 564 through 577 removed outlier: 4.955A pdb=" N GLNLP 568 " --> pdb=" O GLULP 564 " (cutoff:3.500A) removed outlier: 3.960A pdb=" N LYSLP 575 " --> pdb=" O TRPLP 571 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N METLP 576 " --> pdb=" O ARGLP 572 " (cutoff:3.500A) Processing helix chain 'LP' and resid 579 through 595 removed outlier: 3.870A pdb=" N GLULP 583 " --> pdb=" O GLYLP 579 " (cutoff:3.500A) removed outlier: 3.542A pdb=" N VALLP 586 " --> pdb=" O ALALP 582 " (cutoff:3.500A) removed outlier: 3.549A pdb=" N THRLP 594 " --> pdb=" O ALALP 590 " (cutoff:3.500A) removed outlier: 4.639A pdb=" N GLYLP 595 " --> pdb=" O METLP 591 " (cutoff:3.500A) Processing helix chain 'LQ' and resid 311 through 332 Processing helix chain 'LQ' and resid 341 through 352 Processing helix chain 'LQ' and resid 710 through 721 Processing helix chain 'LQ' and resid 755 through 782 removed outlier: 3.576A pdb=" N METLQ 761 " --> pdb=" O ALALQ 757 " (cutoff:3.500A) Processing helix chain 'LQ' and resid 793 through 800 removed outlier: 3.520A pdb=" N METLQ 797 " --> pdb=" O ASNLQ 793 " (cutoff:3.500A) Processing helix chain 'LQ' and resid 803 through 816 removed outlier: 3.693A pdb=" N VALLQ 808 " --> pdb=" O PROLQ 804 " (cutoff:3.500A) removed outlier: 3.794A pdb=" N LEULQ 809 " --> pdb=" O SERLQ 805 " (cutoff:3.500A) removed outlier: 3.683A pdb=" N GLULQ 810 " --> pdb=" O ALALQ 806 " (cutoff:3.500A) removed outlier: 3.669A pdb=" N ILELQ 811 " --> pdb=" O TYRLQ 807 " (cutoff:3.500A) removed outlier: 5.884A pdb=" N LYSLQ 816 " --> pdb=" O PHELQ 812 " (cutoff:3.500A) Processing helix chain 'LQ' and resid 817 through 828 removed outlier: 4.924A pdb=" N GLULQ 821 " --> pdb=" O SERLQ 817 " (cutoff:3.500A) removed outlier: 5.296A pdb=" N GLULQ 822 " --> pdb=" O SERLQ 818 " (cutoff:3.500A) removed outlier: 3.561A pdb=" N SERLQ 823 " --> pdb=" O GLULQ 819 " (cutoff:3.500A) Proline residue: LQ 828 - end of helix Processing helix chain 'LQ' and resid 829 through 846 Proline residue: LQ 833 - end of helix Processing helix chain 'LQ' and resid 848 through 864 removed outlier: 3.560A pdb=" N ILELQ 852 " --> pdb=" O ASPLQ 848 " (cutoff:3.500A) Processing helix chain 'LQ' and resid 865 through 871 removed outlier: 3.867A pdb=" N SERLQ 869 " --> pdb=" O GLYLQ 865 " (cutoff:3.500A) removed outlier: 3.698A pdb=" N ASNLQ 870 " --> pdb=" O GLNLQ 866 " (cutoff:3.500A) removed outlier: 5.643A pdb=" N GLNLQ 871 " --> pdb=" O ILELQ 867 " (cutoff:3.500A) No H-bonds generated for 'chain 'LQ' and resid 865 through 871' Processing helix chain 'LQ' and resid 872 through 917 removed outlier: 4.931A pdb=" N VALLQ 876 " --> pdb=" O METLQ 872 " (cutoff:3.500A) removed outlier: 3.858A pdb=" N ILELQ 885 " --> pdb=" O ARGLQ 881 " (cutoff:3.500A) removed outlier: 3.768A pdb=" N VALLQ 915 " --> pdb=" O ALALQ 911 " (cutoff:3.500A) removed outlier: 3.848A pdb=" N METLQ 916 " --> pdb=" O LYSLQ 912 " (cutoff:3.500A) Processing helix chain 'LQ' and resid 923 through 936 removed outlier: 3.819A pdb=" N GLULQ 936 " --> pdb=" O ARGLQ 932 " (cutoff:3.500A) Processing helix chain 'LS' and resid 62 through 84 removed outlier: 3.882A pdb=" N ARGLS 71 " --> pdb=" O GLULS 67 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N LEULS 80 " --> pdb=" O ASNLS 76 " (cutoff:3.500A) removed outlier: 3.714A pdb=" N GLULS 81 " --> pdb=" O ARGLS 77 " (cutoff:3.500A) removed outlier: 3.655A pdb=" N GLULS 82 " --> pdb=" O LEULS 78 " (cutoff:3.500A) removed outlier: 4.231A pdb=" N ASPLS 83 " --> pdb=" O ARGLS 79 " (cutoff:3.500A) removed outlier: 5.100A pdb=" N LYSLS 84 " --> pdb=" O LEULS 80 " (cutoff:3.500A) Processing helix chain 'LS' and resid 85 through 96 removed outlier: 3.662A pdb=" N LEULS 94 " --> pdb=" O CYSLS 90 " (cutoff:3.500A) Processing helix chain 'LS' and resid 102 through 111 Processing helix chain 'LS' and resid 144 through 150 removed outlier: 5.382A pdb=" N GLULS 150 " --> pdb=" O GLULS 146 " (cutoff:3.500A) Processing helix chain 'LS' and resid 154 through 159 removed outlier: 4.884A pdb=" N ASNLS 158 " --> pdb=" O ASPLS 154 " (cutoff:3.500A) removed outlier: 5.474A pdb=" N ARGLS 159 " --> pdb=" O METLS 155 " (cutoff:3.500A) No H-bonds generated for 'chain 'LS' and resid 154 through 159' Processing helix chain 'LS' and resid 160 through 165 removed outlier: 4.620A pdb=" N METLS 164 " --> pdb=" O PHELS 160 " (cutoff:3.500A) removed outlier: 3.714A pdb=" N METLS 165 " --> pdb=" O ARGLS 161 " (cutoff:3.500A) No H-bonds generated for 'chain 'LS' and resid 160 through 165' Processing helix chain 'LS' and resid 174 through 191 removed outlier: 3.504A pdb=" N LYSLS 180 " --> pdb=" O ASPLS 176 " (cutoff:3.500A) Processing helix chain 'LS' and resid 216 through 221 removed outlier: 5.268A pdb=" N ARGLS 220 " --> pdb=" O ASPLS 216 " (cutoff:3.500A) removed outlier: 4.836A pdb=" N THRLS 221 " --> pdb=" O LEULS 217 " (cutoff:3.500A) No H-bonds generated for 'chain 'LS' and resid 216 through 221' Processing helix chain 'LS' and resid 453 through 460 Processing helix chain 'LT' and resid 411 through 416 removed outlier: 4.413A pdb=" N ASNLT 415 " --> pdb=" O HISLT 411 " (cutoff:3.500A) removed outlier: 6.020A pdb=" N LYSLT 416 " --> pdb=" O GLULT 412 " (cutoff:3.500A) No H-bonds generated for 'chain 'LT' and resid 411 through 416' Processing helix chain 'LT' and resid 424 through 432 removed outlier: 3.783A pdb=" N VALLT 428 " --> pdb=" O ASNLT 424 " (cutoff:3.500A) removed outlier: 3.615A pdb=" N ARGLT 430 " --> pdb=" O LYSLT 426 " (cutoff:3.500A) Processing helix chain 'LT' and resid 436 through 441 removed outlier: 3.989A pdb=" N ARGLT 440 " --> pdb=" O THRLT 436 " (cutoff:3.500A) removed outlier: 5.826A pdb=" N LEULT 441 " --> pdb=" O METLT 437 " (cutoff:3.500A) No H-bonds generated for 'chain 'LT' and resid 436 through 441' Processing helix chain 'LT' and resid 693 through 698 removed outlier: 4.571A pdb=" N TYRLT 697 " --> pdb=" O ASNLT 693 " (cutoff:3.500A) Processing helix chain 'LT' and resid 758 through 763 removed outlier: 4.130A pdb=" N TRPLT 762 " --> pdb=" O PROLT 758 " (cutoff:3.500A) Processing helix chain 'LT' and resid 767 through 776 removed outlier: 3.736A pdb=" N ASNLT 775 " --> pdb=" O ILELT 771 " (cutoff:3.500A) removed outlier: 3.735A pdb=" N LYSLT 776 " --> pdb=" O LYSLT 772 " (cutoff:3.500A) Processing helix chain 'LT' and resid 825 through 838 removed outlier: 4.033A pdb=" N VALLT 836 " --> pdb=" O GLULT 832 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N ASNLT 837 " --> pdb=" O GLULT 833 " (cutoff:3.500A) Processing helix chain 'LT' and resid 840 through 851 removed outlier: 5.881A pdb=" N GLYLT 851 " --> pdb=" O LEULT 847 " (cutoff:3.500A) Processing helix chain 'LT' and resid 852 through 863 removed outlier: 4.023A pdb=" N SERLT 863 " --> pdb=" O LEULT 859 " (cutoff:3.500A) Processing helix chain 'LT' and resid 869 through 887 Processing helix chain 'LT' and resid 889 through 905 Processing helix chain 'LT' and resid 906 through 912 removed outlier: 5.053A pdb=" N SERLT 910 " --> pdb=" O LYSLT 906 " (cutoff:3.500A) removed outlier: 3.859A pdb=" N GLULT 911 " --> pdb=" O METLT 907 " (cutoff:3.500A) Proline residue: LT 912 - end of helix No H-bonds generated for 'chain 'LT' and resid 906 through 912' Processing helix chain 'LT' and resid 915 through 948 Processing helix chain 'LU' and resid 9 through 14 Processing helix chain 'LU' and resid 29 through 34 removed outlier: 3.629A pdb=" N HISLU 33 " --> pdb=" O ASPLU 29 " (cutoff:3.500A) Proline residue: LU 34 - end of helix No H-bonds generated for 'chain 'LU' and resid 29 through 34' Processing helix chain 'LU' and resid 35 through 55 removed outlier: 3.569A pdb=" N ARGLU 43 " --> pdb=" O ARGLU 39 " (cutoff:3.500A) Processing helix chain 'LU' and resid 364 through 382 Processing helix chain 'LU' and resid 384 through 393 removed outlier: 3.715A pdb=" N HISLU 393 " --> pdb=" O ARGLU 389 " (cutoff:3.500A) Processing helix chain 'LU' and resid 397 through 425 removed outlier: 3.669A pdb=" N GLNLU 403 " --> pdb=" O SERLU 399 " (cutoff:3.500A) removed outlier: 3.520A pdb=" N ARGLU 421 " --> pdb=" O LYSLU 417 " (cutoff:3.500A) removed outlier: 3.517A pdb=" N HISLU 424 " --> pdb=" O ASNLU 420 " (cutoff:3.500A) Processing helix chain 'LU' and resid 426 through 431 removed outlier: 3.614A pdb=" N VALLU 430 " --> pdb=" O LYSLU 426 " (cutoff:3.500A) Proline residue: LU 431 - end of helix No H-bonds generated for 'chain 'LU' and resid 426 through 431' Processing helix chain 'LU' and resid 434 through 439 removed outlier: 4.541A pdb=" N HISLU 439 " --> pdb=" O GLULU 435 " (cutoff:3.500A) Processing helix chain 'LW' and resid 105 through 114 removed outlier: 3.517A pdb=" N VALLW 109 " --> pdb=" O PROLW 105 " (cutoff:3.500A) removed outlier: 3.535A pdb=" N PHELW 112 " --> pdb=" O VALLW 108 " (cutoff:3.500A) removed outlier: 3.677A pdb=" N CYSLW 113 " --> pdb=" O VALLW 109 " (cutoff:3.500A) removed outlier: 5.888A pdb=" N ARGLW 114 " --> pdb=" O GLNLW 110 " (cutoff:3.500A) Processing helix chain 'LW' and resid 125 through 151 removed outlier: 3.753A pdb=" N ARGLW 131 " --> pdb=" O LYSLW 127 " (cutoff:3.500A) removed outlier: 4.944A pdb=" N LEULW 151 " --> pdb=" O ALALW 147 " (cutoff:3.500A) Processing helix chain 'LW' and resid 167 through 172 removed outlier: 3.918A pdb=" N ILELW 171 " --> pdb=" O ASPLW 167 " (cutoff:3.500A) removed outlier: 5.899A pdb=" N CYSLW 172 " --> pdb=" O THRLW 168 " (cutoff:3.500A) No H-bonds generated for 'chain 'LW' and resid 167 through 172' Processing helix chain 'LW' and resid 173 through 181 removed outlier: 3.512A pdb=" N ALALW 179 " --> pdb=" O ASPLW 175 " (cutoff:3.500A) removed outlier: 5.298A pdb=" N ASPLW 181 " --> pdb=" O VALLW 177 " (cutoff:3.500A) Processing helix chain 'LW' and resid 182 through 188 removed outlier: 3.999A pdb=" N LYSLW 187 " --> pdb=" O ALALW 183 " (cutoff:3.500A) removed outlier: 4.090A pdb=" N HISLW 188 " --> pdb=" O SERLW 184 " (cutoff:3.500A) Processing helix chain 'LW' and resid 493 through 508 removed outlier: 3.730A pdb=" N VALLW 502 " --> pdb=" O GLNLW 498 " (cutoff:3.500A) Processing helix chain 'LW' and resid 519 through 540 removed outlier: 3.988A pdb=" N GLULW 523 " --> pdb=" O ARGLW 519 " (cutoff:3.500A) removed outlier: 5.659A pdb=" N VALLW 524 " --> pdb=" O ALALW 520 " (cutoff:3.500A) removed outlier: 7.156A pdb=" N ASPLW 525 " --> pdb=" O LEULW 521 " (cutoff:3.500A) removed outlier: 9.273A pdb=" N VALLW 526 " --> pdb=" O ALALW 522 " (cutoff:3.500A) removed outlier: 9.151A pdb=" N ILELW 527 " --> pdb=" O GLULW 523 " (cutoff:3.500A) removed outlier: 7.194A pdb=" N SERLW 528 " --> pdb=" O VALLW 524 " (cutoff:3.500A) removed outlier: 3.596A pdb=" N LEULW 540 " --> pdb=" O GLNLW 536 " (cutoff:3.500A) Processing helix chain 'LZ' and resid 6 through 14 removed outlier: 3.683A pdb=" N LYSLZ 11 " --> pdb=" O PHELZ 7 " (cutoff:3.500A) removed outlier: 3.829A pdb=" N LEULZ 12 " --> pdb=" O HISLZ 8 " (cutoff:3.500A) Processing helix chain 'LZ' and resid 26 through 38 removed outlier: 3.628A pdb=" N ARGLZ 32 " --> pdb=" O LEULZ 28 " (cutoff:3.500A) removed outlier: 3.845A pdb=" N VALLZ 33 " --> pdb=" O HISLZ 29 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ARGLZ 38 " --> pdb=" O LEULZ 34 " (cutoff:3.500A) Processing helix chain 'LZ' and resid 41 through 66 removed outlier: 3.971A pdb=" N TYRLZ 45 " --> pdb=" O ARGLZ 41 " (cutoff:3.500A) removed outlier: 3.601A pdb=" N LEULZ 65 " --> pdb=" O ARGLZ 61 " (cutoff:3.500A) Proline residue: LZ 66 - end of helix Processing helix chain 'LZ' and resid 69 through 87 Processing helix chain 'LZ' and resid 94 through 101 removed outlier: 4.266A pdb=" N CYSLZ 98 " --> pdb=" O SERLZ 94 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N ASPLZ 99 " --> pdb=" O LEULZ 95 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N PHELZ 100 " --> pdb=" O GLULZ 96 " (cutoff:3.500A) removed outlier: 4.226A pdb=" N VALLZ 101 " --> pdb=" O LEULZ 97 " (cutoff:3.500A) No H-bonds generated for 'chain 'LZ' and resid 94 through 101' Processing helix chain 'LZ' and resid 102 through 110 removed outlier: 3.749A pdb=" N PHELZ 106 " --> pdb=" O THRLZ 102 " (cutoff:3.500A) removed outlier: 3.906A pdb=" N ARGLZ 109 " --> pdb=" O SERLZ 105 " (cutoff:3.500A) removed outlier: 3.721A pdb=" N ARGLZ 110 " --> pdb=" O PHELZ 106 " (cutoff:3.500A) Processing helix chain 'LZ' and resid 111 through 119 removed outlier: 3.610A pdb=" N ARGLZ 119 " --> pdb=" O LEULZ 115 " (cutoff:3.500A) Processing helix chain 'LZ' and resid 123 through 134 removed outlier: 3.621A pdb=" N VALLZ 131 " --> pdb=" O ALALZ 127 " (cutoff:3.500A) Processing helix chain 'LZ' and resid 151 through 158 removed outlier: 4.085A pdb=" N ASPLZ 156 " --> pdb=" O ARGLZ 152 " (cutoff:3.500A) removed outlier: 4.291A pdb=" N PHELZ 157 " --> pdb=" O SERLZ 153 " (cutoff:3.500A) removed outlier: 3.752A pdb=" N VALLZ 158 " --> pdb=" O METLZ 154 " (cutoff:3.500A) Processing helix chain 'LZ' and resid 164 through 175 Processing helix chain 'LZ' and resid 178 through 183 removed outlier: 3.651A pdb=" N LEULZ 182 " --> pdb=" O ASPLZ 178 " (cutoff:3.500A) Processing helix chain 'NA' and resid 358 through 381 removed outlier: 3.591A pdb=" N ARGNA 363 " --> pdb=" O SERNA 359 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N LEUNA 379 " --> pdb=" O GLUNA 375 " (cutoff:3.500A) removed outlier: 5.336A pdb=" N LYSNA 381 " --> pdb=" O GLUNA 377 " (cutoff:3.500A) Processing helix chain 'NA' and resid 383 through 388 removed outlier: 5.439A pdb=" N GLYNA 388 " --> pdb=" O TRPNA 384 " (cutoff:3.500A) Processing helix chain 'NA' and resid 391 through 396 removed outlier: 3.894A pdb=" N ARGNA 395 " --> pdb=" O THRNA 391 " (cutoff:3.500A) Proline residue: NA 396 - end of helix No H-bonds generated for 'chain 'NA' and resid 391 through 396' Processing helix chain 'NA' and resid 398 through 404 removed outlier: 4.978A pdb=" N GLUNA 402 " --> pdb=" O ASNNA 398 " (cutoff:3.500A) removed outlier: 3.880A pdb=" N GLUNA 403 " --> pdb=" O SERNA 399 " (cutoff:3.500A) removed outlier: 4.381A pdb=" N THRNA 404 " --> pdb=" O LEUNA 400 " (cutoff:3.500A) No H-bonds generated for 'chain 'NA' and resid 398 through 404' Processing helix chain 'NA' and resid 418 through 436 Processing helix chain 'NA' and resid 450 through 463 removed outlier: 3.716A pdb=" N LYSNA 455 " --> pdb=" O ALANA 451 " (cutoff:3.500A) removed outlier: 3.848A pdb=" N LYSNA 456 " --> pdb=" O TYRNA 452 " (cutoff:3.500A) removed outlier: 3.502A pdb=" N GLUNA 463 " --> pdb=" O THRNA 459 " (cutoff:3.500A) Processing helix chain 'NA' and resid 468 through 491 removed outlier: 3.576A pdb=" N ASNNA 490 " --> pdb=" O ALANA 486 " (cutoff:3.500A) Proline residue: NA 491 - end of helix Processing helix chain 'NA' and resid 492 through 512 removed outlier: 3.800A pdb=" N ALANA 509 " --> pdb=" O LEUNA 505 " (cutoff:3.500A) Processing helix chain 'NA' and resid 532 through 537 removed outlier: 4.016A pdb=" N GLUNA 536 " --> pdb=" O ALANA 532 " (cutoff:3.500A) removed outlier: 5.342A pdb=" N GLUNA 537 " --> pdb=" O ILENA 533 " (cutoff:3.500A) No H-bonds generated for 'chain 'NA' and resid 532 through 537' Processing helix chain 'NA' and resid 550 through 556 Processing helix chain 'NA' and resid 565 through 570 removed outlier: 6.025A pdb=" N THRNA 570 " --> pdb=" O ALANA 566 " (cutoff:3.500A) Processing helix chain 'NA' and resid 571 through 599 Processing helix chain 'NA' and resid 675 through 680 removed outlier: 3.768A pdb=" N LEUNA 679 " --> pdb=" O SERNA 675 " (cutoff:3.500A) Processing helix chain 'NB' and resid 412 through 418 removed outlier: 3.666A pdb=" N ASNNB 418 " --> pdb=" O GLNNB 414 " (cutoff:3.500A) Processing helix chain 'NB' and resid 426 through 432 removed outlier: 3.998A pdb=" N ARGNB 430 " --> pdb=" O LYSNB 426 " (cutoff:3.500A) removed outlier: 4.432A pdb=" N ASNNB 431 " --> pdb=" O LYSNB 427 " (cutoff:3.500A) Proline residue: NB 432 - end of helix No H-bonds generated for 'chain 'NB' and resid 426 through 432' Processing helix chain 'NB' and resid 433 through 451 removed outlier: 4.082A pdb=" N GLYNB 449 " --> pdb=" O ILENB 445 " (cutoff:3.500A) removed outlier: 4.476A pdb=" N GLNNB 450 " --> pdb=" O ARGNB 446 " (cutoff:3.500A) Processing helix chain 'ND' and resid 180 through 199 removed outlier: 3.522A pdb=" N ASPND 184 " --> pdb=" O GLNND 180 " (cutoff:3.500A) Processing helix chain 'ND' and resid 207 through 219 removed outlier: 3.654A pdb=" N LEUND 214 " --> pdb=" O LYSND 210 " (cutoff:3.500A) removed outlier: 5.103A pdb=" N ALAND 215 " --> pdb=" O PHEND 211 " (cutoff:3.500A) removed outlier: 4.393A pdb=" N ASNND 216 " --> pdb=" O LEUND 212 " (cutoff:3.500A) removed outlier: 3.783A pdb=" N ARGND 218 " --> pdb=" O LEUND 214 " (cutoff:3.500A) Processing helix chain 'ND' and resid 230 through 237 removed outlier: 3.973A pdb=" N GLYND 234 " --> pdb=" O ASNND 230 " (cutoff:3.500A) removed outlier: 3.526A pdb=" N ILEND 235 " --> pdb=" O ASNND 231 " (cutoff:3.500A) removed outlier: 3.623A pdb=" N GLNND 236 " --> pdb=" O ALAND 232 " (cutoff:3.500A) removed outlier: 5.609A pdb=" N LYSND 237 " --> pdb=" O TRPND 233 " (cutoff:3.500A) No H-bonds generated for 'chain 'ND' and resid 230 through 237' Processing helix chain 'ND' and resid 238 through 245 removed outlier: 3.951A pdb=" N LYSND 242 " --> pdb=" O LYSND 238 " (cutoff:3.500A) removed outlier: 4.128A pdb=" N ARGND 243 " --> pdb=" O GLNND 239 " (cutoff:3.500A) removed outlier: 3.864A pdb=" N PHEND 244 " --> pdb=" O ASNND 240 " (cutoff:3.500A) Processing helix chain 'ND' and resid 246 through 252 removed outlier: 3.926A pdb=" N VALND 250 " --> pdb=" O ARGND 246 " (cutoff:3.500A) removed outlier: 3.709A pdb=" N ARGND 251 " --> pdb=" O ARGND 247 " (cutoff:3.500A) Processing helix chain 'NE' and resid 167 through 184 removed outlier: 3.506A pdb=" N LEUNE 173 " --> pdb=" O GLUNE 169 " (cutoff:3.500A) removed outlier: 4.123A pdb=" N GLYNE 182 " --> pdb=" O PHENE 178 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N TYRNE 183 " --> pdb=" O GLYNE 179 " (cutoff:3.500A) removed outlier: 3.949A pdb=" N GLYNE 184 " --> pdb=" O ILENE 180 " (cutoff:3.500A) Processing helix chain 'NE' and resid 185 through 200 removed outlier: 3.748A pdb=" N ILENE 190 " --> pdb=" O GLYNE 186 " (cutoff:3.500A) Processing helix chain 'NE' and resid 210 through 236 removed outlier: 3.691A pdb=" N LYSNE 225 " --> pdb=" O LYSNE 221 " (cutoff:3.500A) removed outlier: 3.618A pdb=" N GLUNE 226 " --> pdb=" O LYSNE 222 " (cutoff:3.500A) removed outlier: 3.836A pdb=" N GLUNE 227 " --> pdb=" O ALANE 223 " (cutoff:3.500A) Processing helix chain 'NE' and resid 279 through 288 Processing helix chain 'NF' and resid 29 through 44 removed outlier: 3.505A pdb=" N GLUNF 35 " --> pdb=" O ASPNF 31 " (cutoff:3.500A) Processing helix chain 'NF' and resid 46 through 57 Processing helix chain 'NF' and resid 62 through 68 Processing helix chain 'NF' and resid 70 through 79 Processing helix chain 'NF' and resid 85 through 106 removed outlier: 3.885A pdb=" N ARGNF 104 " --> pdb=" O LYSNF 100 " (cutoff:3.500A) removed outlier: 4.115A pdb=" N ARGNF 106 " --> pdb=" O LEUNF 102 " (cutoff:3.500A) Processing helix chain 'NF' and resid 108 through 133 removed outlier: 3.541A pdb=" N LEUNF 117 " --> pdb=" O PHENF 113 " (cutoff:3.500A) Processing helix chain 'NF' and resid 142 through 150 removed outlier: 4.118A pdb=" N SERNF 147 " --> pdb=" O SERNF 143 " (cutoff:3.500A) removed outlier: 4.280A pdb=" N ALANF 148 " --> pdb=" O SERNF 144 " (cutoff:3.500A) Processing helix chain 'NG' and resid 57 through 63 removed outlier: 4.402A pdb=" N LYSNG 61 " --> pdb=" O THRNG 57 " (cutoff:3.500A) removed outlier: 3.676A pdb=" N VALNG 62 " --> pdb=" O GLYNG 58 " (cutoff:3.500A) removed outlier: 5.216A pdb=" N LYSNG 63 " --> pdb=" O GLYNG 59 " (cutoff:3.500A) No H-bonds generated for 'chain 'NG' and resid 57 through 63' Processing helix chain 'NG' and resid 64 through 69 removed outlier: 3.733A pdb=" N GLUNG 68 " --> pdb=" O ALANG 64 " (cutoff:3.500A) removed outlier: 5.547A pdb=" N SERNG 69 " --> pdb=" O ASPNG 65 " (cutoff:3.500A) No H-bonds generated for 'chain 'NG' and resid 64 through 69' Processing helix chain 'NG' and resid 70 through 89 removed outlier: 3.612A pdb=" N GLUNG 87 " --> pdb=" O GLNNG 83 " (cutoff:3.500A) removed outlier: 3.619A pdb=" N LEUNG 88 " --> pdb=" O ARGNG 84 " (cutoff:3.500A) Processing helix chain 'NG' and resid 109 through 123 removed outlier: 4.410A pdb=" N GLNNG 113 " --> pdb=" O GLYNG 109 " (cutoff:3.500A) removed outlier: 4.206A pdb=" N SERNG 114 " --> pdb=" O PRONG 110 " (cutoff:3.500A) removed outlier: 3.538A pdb=" N ALANG 120 " --> pdb=" O LEUNG 116 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N GLYNG 123 " --> pdb=" O LEUNG 119 " (cutoff:3.500A) Processing helix chain 'NJ' and resid 7 through 21 removed outlier: 4.389A pdb=" N ARGNJ 11 " --> pdb=" O ASPNJ 7 " (cutoff:3.500A) Processing helix chain 'NJ' and resid 32 through 49 removed outlier: 3.629A pdb=" N GLNNJ 36 " --> pdb=" O ARGNJ 32 " (cutoff:3.500A) removed outlier: 3.980A pdb=" N VALNJ 38 " --> pdb=" O LYSNJ 34 " (cutoff:3.500A) removed outlier: 3.681A pdb=" N ILENJ 39 " --> pdb=" O ASPNJ 35 " (cutoff:3.500A) removed outlier: 5.255A pdb=" N VALNJ 49 " --> pdb=" O SERNJ 45 " (cutoff:3.500A) Processing helix chain 'NJ' and resid 68 through 77 Processing helix chain 'NJ' and resid 91 through 100 removed outlier: 3.501A pdb=" N ALANJ 98 " --> pdb=" O GLUNJ 94 " (cutoff:3.500A) Processing helix chain 'NJ' and resid 109 through 115 removed outlier: 4.719A pdb=" N ILENJ 113 " --> pdb=" O GLUNJ 109 " (cutoff:3.500A) removed outlier: 4.073A pdb=" N LEUNJ 114 " --> pdb=" O THRNJ 110 " (cutoff:3.500A) removed outlier: 5.360A pdb=" N GLYNJ 115 " --> pdb=" O HISNJ 111 " (cutoff:3.500A) No H-bonds generated for 'chain 'NJ' and resid 109 through 115' Processing helix chain 'NJ' and resid 130 through 142 removed outlier: 3.725A pdb=" N THRNJ 140 " --> pdb=" O ARGNJ 136 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N VALNJ 141 " --> pdb=" O THRNJ 137 " (cutoff:3.500A) removed outlier: 5.586A pdb=" N GLUNJ 142 " --> pdb=" O VALNJ 138 " (cutoff:3.500A) Processing helix chain 'NJ' and resid 153 through 166 removed outlier: 3.509A pdb=" N VALNJ 163 " --> pdb=" O GLNNJ 159 " (cutoff:3.500A) removed outlier: 3.617A pdb=" N THRNJ 164 " --> pdb=" O LEUNJ 160 " (cutoff:3.500A) removed outlier: 3.606A pdb=" N METNJ 165 " --> pdb=" O TYRNJ 161 " (cutoff:3.500A) Processing helix chain 'NJ' and resid 181 through 194 removed outlier: 3.811A pdb=" N GLUNJ 185 " --> pdb=" O GLYNJ 181 " (cutoff:3.500A) removed outlier: 4.610A pdb=" N ALANJ 192 " --> pdb=" O ILENJ 188 " (cutoff:3.500A) removed outlier: 4.716A pdb=" N SERNJ 193 " --> pdb=" O LEUNJ 189 " (cutoff:3.500A) removed outlier: 3.762A pdb=" N CYSNJ 194 " --> pdb=" O SERNJ 190 " (cutoff:3.500A) Processing helix chain 'NJ' and resid 210 through 216 removed outlier: 7.208A pdb=" N ALANJ 214 " --> pdb=" O SERNJ 210 " (cutoff:3.500A) removed outlier: 5.390A pdb=" N THRNJ 215 " --> pdb=" O SERNJ 211 " (cutoff:3.500A) Processing helix chain 'NJ' and resid 229 through 244 removed outlier: 3.778A pdb=" N GLUNJ 234 " --> pdb=" O PRONJ 230 " (cutoff:3.500A) removed outlier: 3.938A pdb=" N GLNNJ 243 " --> pdb=" O LYSNJ 239 " (cutoff:3.500A) removed outlier: 4.757A pdb=" N ASPNJ 244 " --> pdb=" O GLUNJ 240 " (cutoff:3.500A) Processing helix chain 'NJ' and resid 246 through 256 removed outlier: 7.052A pdb=" N VALNJ 250 " --> pdb=" O GLNNJ 246 " (cutoff:3.500A) removed outlier: 3.658A pdb=" N LEUNJ 251 " --> pdb=" O PRONJ 247 " (cutoff:3.500A) removed outlier: 5.325A pdb=" N LYSNJ 256 " --> pdb=" O VALNJ 252 " (cutoff:3.500A) Processing helix chain 'NJ' and resid 257 through 274 removed outlier: 3.581A pdb=" N ALANJ 261 " --> pdb=" O THRNJ 257 " (cutoff:3.500A) removed outlier: 5.990A pdb=" N LYSNJ 274 " --> pdb=" O GLYNJ 270 " (cutoff:3.500A) Processing helix chain 'NJ' and resid 289 through 305 removed outlier: 4.641A pdb=" N ALANJ 293 " --> pdb=" O GLYNJ 289 " (cutoff:3.500A) removed outlier: 4.117A pdb=" N GLYNJ 305 " --> pdb=" O ALANJ 301 " (cutoff:3.500A) Processing helix chain 'NJ' and resid 315 through 334 removed outlier: 4.018A pdb=" N LEUNJ 319 " --> pdb=" O SERNJ 315 " (cutoff:3.500A) removed outlier: 4.964A pdb=" N HISNJ 320 " --> pdb=" O PRONJ 316 " (cutoff:3.500A) removed outlier: 6.372A pdb=" N THRNJ 321 " --> pdb=" O ASPNJ 317 " (cutoff:3.500A) removed outlier: 6.148A pdb=" N LEUNJ 322 " --> pdb=" O ASNNJ 318 " (cutoff:3.500A) removed outlier: 5.095A pdb=" N PHENJ 323 " --> pdb=" O LEUNJ 319 " (cutoff:3.500A) removed outlier: 3.502A pdb=" N LEUNJ 333 " --> pdb=" O GLYNJ 329 " (cutoff:3.500A) removed outlier: 3.931A pdb=" N GLNNJ 334 " --> pdb=" O PHENJ 330 " (cutoff:3.500A) Processing helix chain 'NJ' and resid 375 through 380 removed outlier: 4.612A pdb=" N LEUNJ 379 " --> pdb=" O ASPNJ 375 " (cutoff:3.500A) removed outlier: 5.016A pdb=" N GLYNJ 380 " --> pdb=" O ALANJ 376 " (cutoff:3.500A) No H-bonds generated for 'chain 'NJ' and resid 375 through 380' Processing helix chain 'NJ' and resid 389 through 394 removed outlier: 3.725A pdb=" N ILENJ 393 " --> pdb=" O GLUNJ 389 " (cutoff:3.500A) Proline residue: NJ 394 - end of helix No H-bonds generated for 'chain 'NJ' and resid 389 through 394' Processing helix chain 'NJ' and resid 395 through 403 removed outlier: 4.608A pdb=" N GLYNJ 403 " --> pdb=" O LYSNJ 399 " (cutoff:3.500A) Processing helix chain 'NJ' and resid 423 through 434 Processing helix chain 'NJ' and resid 475 through 486 Processing helix chain 'NJ' and resid 511 through 518 removed outlier: 3.581A pdb=" N PHENJ 516 " --> pdb=" O ARGNJ 512 " (cutoff:3.500A) removed outlier: 3.652A pdb=" N CYSNJ 517 " --> pdb=" O ASPNJ 513 " (cutoff:3.500A) removed outlier: 6.290A pdb=" N TYRNJ 518 " --> pdb=" O THRNJ 514 " (cutoff:3.500A) Processing helix chain 'NJ' and resid 519 through 536 removed outlier: 4.007A pdb=" N SERNJ 536 " --> pdb=" O LEUNJ 532 " (cutoff:3.500A) Processing helix chain 'NJ' and resid 541 through 550 removed outlier: 4.694A pdb=" N LEUNJ 545 " --> pdb=" O SERNJ 541 " (cutoff:3.500A) removed outlier: 4.535A pdb=" N GLNNJ 546 " --> pdb=" O PRONJ 542 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N METNJ 547 " --> pdb=" O ASNNJ 543 " (cutoff:3.500A) Processing helix chain 'NJ' and resid 603 through 613 removed outlier: 3.577A pdb=" N TRPNJ 607 " --> pdb=" O ASPNJ 603 " (cutoff:3.500A) Processing helix chain 'NJ' and resid 639 through 654 removed outlier: 3.518A pdb=" N ARGNJ 643 " --> pdb=" O GLYNJ 639 " (cutoff:3.500A) Processing helix chain 'NJ' and resid 697 through 702 Proline residue: NJ 702 - end of helix Processing helix chain 'NJ' and resid 716 through 727 removed outlier: 3.535A pdb=" N PHENJ 722 " --> pdb=" O ARGNJ 718 " (cutoff:3.500A) Processing helix chain 'NJ' and resid 762 through 779 removed outlier: 3.743A pdb=" N ARGNJ 773 " --> pdb=" O LYSNJ 769 " (cutoff:3.500A) removed outlier: 3.508A pdb=" N ALANJ 777 " --> pdb=" O ARGNJ 773 " (cutoff:3.500A) Processing helix chain 'NJ' and resid 787 through 797 removed outlier: 4.624A pdb=" N ASNNJ 797 " --> pdb=" O ASNNJ 793 " (cutoff:3.500A) Processing helix chain 'NJ' and resid 809 through 817 Processing helix chain 'NJ' and resid 818 through 832 removed outlier: 3.798A pdb=" N ARGNJ 830 " --> pdb=" O GLUNJ 826 " (cutoff:3.500A) Processing helix chain 'NJ' and resid 835 through 852 removed outlier: 4.328A pdb=" N METNJ 839 " --> pdb=" O TYRNJ 835 " (cutoff:3.500A) removed outlier: 5.672A pdb=" N ASPNJ 840 " --> pdb=" O HISNJ 836 " (cutoff:3.500A) removed outlier: 5.745A pdb=" N METNJ 841 " --> pdb=" O LEUNJ 837 " (cutoff:3.500A) removed outlier: 3.541A pdb=" N ILENJ 842 " --> pdb=" O ILENJ 838 " (cutoff:3.500A) Proline residue: NJ 843 - end of helix removed outlier: 3.686A pdb=" N ILENJ 848 " --> pdb=" O ALANJ 844 " (cutoff:3.500A) removed outlier: 3.833A pdb=" N ASNNJ 852 " --> pdb=" O ILENJ 848 " (cutoff:3.500A) Processing helix chain 'NJ' and resid 860 through 872 Processing helix chain 'NJ' and resid 876 through 885 removed outlier: 3.564A pdb=" N LYSNJ 882 " --> pdb=" O ASPNJ 878 " (cutoff:3.500A) Processing helix chain 'NJ' and resid 887 through 913 removed outlier: 3.568A pdb=" N LEUNJ 905 " --> pdb=" O LYSNJ 901 " (cutoff:3.500A) removed outlier: 3.522A pdb=" N ALANJ 913 " --> pdb=" O VALNJ 909 " (cutoff:3.500A) Processing helix chain 'NJ' and resid 781 through 786 removed outlier: 4.950A pdb=" N SERNJ 784 " --> pdb=" O TYRNJ 781 " (cutoff:3.500A) removed outlier: 4.353A pdb=" N THRNJ 785 " --> pdb=" O GLNNJ 782 " (cutoff:3.500A) Processing helix chain 'NM' and resid 23 through 29 removed outlier: 4.838A pdb=" N LYSNM 27 " --> pdb=" O ASPNM 23 " (cutoff:3.500A) removed outlier: 3.575A pdb=" N LYSNM 28 " --> pdb=" O PRONM 24 " (cutoff:3.500A) removed outlier: 5.239A pdb=" N ASPNM 29 " --> pdb=" O PHENM 25 " (cutoff:3.500A) No H-bonds generated for 'chain 'NM' and resid 23 through 29' Processing helix chain 'NM' and resid 57 through 64 removed outlier: 3.628A pdb=" N GLYNM 61 " --> pdb=" O ILENM 57 " (cutoff:3.500A) removed outlier: 5.310A pdb=" N GLYNM 64 " --> pdb=" O ASPNM 60 " (cutoff:3.500A) Processing helix chain 'NM' and resid 70 through 76 removed outlier: 3.771A pdb=" N LEUNM 74 " --> pdb=" O SERNM 70 " (cutoff:3.500A) removed outlier: 5.070A pdb=" N ASNNM 76 " --> pdb=" O ALANM 72 " (cutoff:3.500A) Processing helix chain 'NM' and resid 106 through 115 removed outlier: 3.895A pdb=" N VALNM 114 " --> pdb=" O METNM 110 " (cutoff:3.500A) removed outlier: 5.505A pdb=" N LYSNM 115 " --> pdb=" O CYSNM 111 " (cutoff:3.500A) Processing helix chain 'NM' and resid 157 through 179 removed outlier: 3.576A pdb=" N VALNM 176 " --> pdb=" O METNM 172 " (cutoff:3.500A) removed outlier: 3.919A pdb=" N THRNM 178 " --> pdb=" O ARGNM 174 " (cutoff:3.500A) removed outlier: 4.890A pdb=" N ASNNM 179 " --> pdb=" O GLUNM 175 " (cutoff:3.500A) Processing helix chain 'NM' and resid 180 through 191 Proline residue: NM 190 - end of helix Processing helix chain 'NM' and resid 192 through 203 removed outlier: 3.660A pdb=" N GLNNM 202 " --> pdb=" O GLUNM 198 " (cutoff:3.500A) removed outlier: 5.075A pdb=" N SERNM 203 " --> pdb=" O LYSNM 199 " (cutoff:3.500A) Processing helix chain 'NM' and resid 224 through 233 removed outlier: 3.668A pdb=" N LEUNM 228 " --> pdb=" O GLUNM 224 " (cutoff:3.500A) removed outlier: 3.818A pdb=" N GLUNM 230 " --> pdb=" O GLYNM 226 " (cutoff:3.500A) removed outlier: 4.247A pdb=" N LEUNM 231 " --> pdb=" O LYSNM 227 " (cutoff:3.500A) removed outlier: 4.186A pdb=" N GLYNM 233 " --> pdb=" O METNM 229 " (cutoff:3.500A) Processing helix chain 'NN' and resid 536 through 547 Processing helix chain 'NO' and resid 5 through 21 Processing helix chain 'NO' and resid 31 through 45 removed outlier: 3.854A pdb=" N HISNO 44 " --> pdb=" O VALNO 40 " (cutoff:3.500A) removed outlier: 3.747A pdb=" N GLYNO 45 " --> pdb=" O METNO 41 " (cutoff:3.500A) Processing helix chain 'NO' and resid 82 through 94 removed outlier: 4.717A pdb=" N GLUNO 87 " --> pdb=" O LEUNO 83 " (cutoff:3.500A) removed outlier: 5.574A pdb=" N LYSNO 88 " --> pdb=" O LYSNO 84 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N TRPNO 89 " --> pdb=" O ASPNO 85 " (cutoff:3.500A) removed outlier: 3.537A pdb=" N LEUNO 93 " --> pdb=" O TRPNO 89 " (cutoff:3.500A) Processing helix chain 'NO' and resid 112 through 120 removed outlier: 3.573A pdb=" N ARGNO 118 " --> pdb=" O GLUNO 114 " (cutoff:3.500A) Processing helix chain 'NQ' and resid 11 through 19 removed outlier: 5.985A pdb=" N HISNQ 19 " --> pdb=" O GLUNQ 15 " (cutoff:3.500A) Processing helix chain 'NT' and resid 100 through 107 removed outlier: 4.445A pdb=" N LYSNT 104 " --> pdb=" O LEUNT 100 " (cutoff:3.500A) removed outlier: 3.965A pdb=" N TYRNT 105 " --> pdb=" O ALANT 101 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N TYRNT 106 " --> pdb=" O VALNT 102 " (cutoff:3.500A) removed outlier: 5.099A pdb=" N LYSNT 107 " --> pdb=" O LEUNT 103 " (cutoff:3.500A) No H-bonds generated for 'chain 'NT' and resid 100 through 107' Processing helix chain 'NU' and resid 6 through 20 Processing helix chain 'NU' and resid 27 through 39 removed outlier: 3.538A pdb=" N GLUNU 37 " --> pdb=" O ARGNU 33 " (cutoff:3.500A) removed outlier: 3.506A pdb=" N ALANU 39 " --> pdb=" O CYSNU 35 " (cutoff:3.500A) Processing helix chain 'NU' and resid 43 through 64 Processing helix chain 'NW' and resid 353 through 358 Processing helix chain 'SA' and resid 32 through 38 removed outlier: 4.665A pdb=" N VALSA 36 " --> pdb=" O VALSA 32 " (cutoff:3.500A) Processing helix chain 'SA' and resid 39 through 46 removed outlier: 3.610A pdb=" N ILESA 45 " --> pdb=" O LYSSA 41 " (cutoff:3.500A) Processing helix chain 'SA' and resid 56 through 70 Processing helix chain 'SA' and resid 73 through 84 removed outlier: 3.580A pdb=" N HISSA 83 " --> pdb=" O LEUSA 79 " (cutoff:3.500A) removed outlier: 3.630A pdb=" N LEUSA 84 " --> pdb=" O LEUSA 80 " (cutoff:3.500A) Processing helix chain 'SA' and resid 97 through 108 Processing helix chain 'SA' and resid 116 through 129 removed outlier: 4.068A pdb=" N GLUSA 120 " --> pdb=" O GLYSA 116 " (cutoff:3.500A) removed outlier: 3.532A pdb=" N ARGSA 123 " --> pdb=" O ALASA 119 " (cutoff:3.500A) Processing helix chain 'SA' and resid 140 through 158 removed outlier: 3.769A pdb=" N HISSA 150 " --> pdb=" O LEUSA 146 " (cutoff:3.500A) removed outlier: 3.573A pdb=" N SERSA 151 " --> pdb=" O GLYSA 147 " (cutoff:3.500A) removed outlier: 3.517A pdb=" N LYSSA 156 " --> pdb=" O TYRSA 152 " (cutoff:3.500A) Processing helix chain 'SA' and resid 165 through 194 removed outlier: 3.652A pdb=" N ILESA 169 " --> pdb=" O ASPSA 165 " (cutoff:3.500A) removed outlier: 3.565A pdb=" N SERSA 173 " --> pdb=" O ILESA 169 " (cutoff:3.500A) Processing helix chain 'SA' and resid 198 through 205 removed outlier: 4.445A pdb=" N LYSSA 202 " --> pdb=" O PROSA 198 " (cutoff:3.500A) removed outlier: 4.980A pdb=" N ASNSA 205 " --> pdb=" O VALSA 201 " (cutoff:3.500A) Processing helix chain 'SA' and resid 206 through 218 removed outlier: 3.521A pdb=" N CYSSA 211 " --> pdb=" O ASNSA 207 " (cutoff:3.500A) removed outlier: 3.767A pdb=" N ARGSA 212 " --> pdb=" O ALASA 208 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N LEUSA 213 " --> pdb=" O THRSA 209 " (cutoff:3.500A) removed outlier: 4.817A pdb=" N GLYSA 218 " --> pdb=" O ALASA 214 " (cutoff:3.500A) Processing helix chain 'SA' and resid 225 through 236 removed outlier: 3.778A pdb=" N GLUSA 233 " --> pdb=" O GLUSA 229 " (cutoff:3.500A) removed outlier: 3.562A pdb=" N LEUSA 234 " --> pdb=" O LYSSA 230 " (cutoff:3.500A) removed outlier: 5.028A pdb=" N METSA 236 " --> pdb=" O GLUSA 232 " (cutoff:3.500A) Processing helix chain 'SA' and resid 237 through 251 removed outlier: 4.009A pdb=" N ALASA 241 " --> pdb=" O ASPSA 237 " (cutoff:3.500A) Processing helix chain 'SA' and resid 257 through 293 Processing helix chain 'SA' and resid 294 through 300 Processing helix chain 'SA' and resid 301 through 313 Processing helix chain 'SA' and resid 314 through 322 Proline residue: SA 322 - end of helix Processing helix chain 'SA' and resid 323 through 332 removed outlier: 3.840A pdb=" N GLNSA 327 " --> pdb=" O ALASA 323 " (cutoff:3.500A) removed outlier: 3.883A pdb=" N ILESA 328 " --> pdb=" O SERSA 324 " (cutoff:3.500A) removed outlier: 3.852A pdb=" N GLYSA 330 " --> pdb=" O VALSA 326 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N ALASA 331 " --> pdb=" O GLNSA 327 " (cutoff:3.500A) removed outlier: 4.518A pdb=" N GLUSA 332 " --> pdb=" O ILESA 328 " (cutoff:3.500A) Processing helix chain 'SA' and resid 364 through 386 Processing helix chain 'SA' and resid 391 through 411 Processing helix chain 'SB' and resid 18 through 25 removed outlier: 3.840A pdb=" N LEUSB 22 " --> pdb=" O ASNSB 18 " (cutoff:3.500A) removed outlier: 3.751A pdb=" N GLNSB 23 " --> pdb=" O GLUSB 19 " (cutoff:3.500A) removed outlier: 4.332A pdb=" N GLUSB 24 " --> pdb=" O LYSSB 20 " (cutoff:3.500A) removed outlier: 5.079A pdb=" N VALSB 25 " --> pdb=" O LYSSB 21 " (cutoff:3.500A) No H-bonds generated for 'chain 'SB' and resid 18 through 25' Processing helix chain 'SB' and resid 26 through 34 removed outlier: 5.569A pdb=" N LYSSB 30 " --> pdb=" O ASPSB 26 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N GLUSB 31 " --> pdb=" O SERSB 27 " (cutoff:3.500A) removed outlier: 3.971A pdb=" N PHESB 32 " --> pdb=" O LEUSB 28 " (cutoff:3.500A) removed outlier: 3.807A pdb=" N GLUSB 33 " --> pdb=" O TRPSB 29 " (cutoff:3.500A) removed outlier: 5.087A pdb=" N THRSB 34 " --> pdb=" O LYSSB 30 " (cutoff:3.500A) No H-bonds generated for 'chain 'SB' and resid 26 through 34' Processing helix chain 'SB' and resid 35 through 43 removed outlier: 3.565A pdb=" N LYSSB 40 " --> pdb=" O GLUSB 36 " (cutoff:3.500A) removed outlier: 3.536A pdb=" N VALSB 42 " --> pdb=" O ALASB 38 " (cutoff:3.500A) removed outlier: 4.708A pdb=" N LYSSB 43 " --> pdb=" O ASNSB 39 " (cutoff:3.500A) Processing helix chain 'SB' and resid 52 through 66 removed outlier: 3.858A pdb=" N ALASB 62 " --> pdb=" O ALASB 58 " (cutoff:3.500A) removed outlier: 3.630A pdb=" N LEUSB 63 " --> pdb=" O ALASB 59 " (cutoff:3.500A) removed outlier: 3.835A pdb=" N GLUSB 65 " --> pdb=" O THRSB 61 " (cutoff:3.500A) Processing helix chain 'SB' and resid 69 through 84 removed outlier: 3.652A pdb=" N LYSSB 81 " --> pdb=" O LYSSB 77 " (cutoff:3.500A) removed outlier: 3.646A pdb=" N GLUSB 82 " --> pdb=" O LYSSB 78 " (cutoff:3.500A) removed outlier: 4.207A pdb=" N ALASB 83 " --> pdb=" O ILESB 79 " (cutoff:3.500A) removed outlier: 4.493A pdb=" N HISSB 84 " --> pdb=" O VALSB 80 " (cutoff:3.500A) Processing helix chain 'SB' and resid 91 through 102 removed outlier: 4.166A pdb=" N LYSSB 99 " --> pdb=" O GLYSB 95 " (cutoff:3.500A) removed outlier: 4.347A pdb=" N GLUSB 100 " --> pdb=" O GLYSB 96 " (cutoff:3.500A) Processing helix chain 'SB' and resid 109 through 123 Processing helix chain 'SB' and resid 131 through 156 removed outlier: 3.602A pdb=" N LYSSB 152 " --> pdb=" O ARGSB 148 " (cutoff:3.500A) removed outlier: 3.987A pdb=" N PHESB 153 " --> pdb=" O TYRSB 149 " (cutoff:3.500A) removed outlier: 3.726A pdb=" N SERSB 154 " --> pdb=" O ARGSB 150 " (cutoff:3.500A) removed outlier: 5.152A pdb=" N ASPSB 156 " --> pdb=" O LYSSB 152 " (cutoff:3.500A) Processing helix chain 'SB' and resid 159 through 189 removed outlier: 3.574A pdb=" N VALSB 163 " --> pdb=" O ASPSB 159 " (cutoff:3.500A) removed outlier: 3.739A pdb=" N ALASB 165 " --> pdb=" O METSB 161 " (cutoff:3.500A) removed outlier: 4.041A pdb=" N SERSB 167 " --> pdb=" O VALSB 163 " (cutoff:3.500A) removed outlier: 3.926A pdb=" N LEUSB 168 " --> pdb=" O GLNSB 164 " (cutoff:3.500A) removed outlier: 3.560A pdb=" N LEUSB 169 " --> pdb=" O ALASB 165 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N ASPSB 173 " --> pdb=" O LEUSB 169 " (cutoff:3.500A) removed outlier: 3.735A pdb=" N TRPSB 189 " --> pdb=" O GLUSB 185 " (cutoff:3.500A) Processing helix chain 'SB' and resid 191 through 198 removed outlier: 4.361A pdb=" N GLYSB 195 " --> pdb=" O PHESB 191 " (cutoff:3.500A) removed outlier: 3.913A pdb=" N LYSSB 196 " --> pdb=" O PROSB 192 " (cutoff:3.500A) Processing helix chain 'SB' and resid 200 through 212 removed outlier: 4.126A pdb=" N GLYSB 212 " --> pdb=" O LEUSB 208 " (cutoff:3.500A) Processing helix chain 'SB' and resid 213 through 220 removed outlier: 3.608A pdb=" N TYRSB 217 " --> pdb=" O ASPSB 213 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N ALASB 218 " --> pdb=" O ARGSB 214 " (cutoff:3.500A) removed outlier: 4.422A pdb=" N SERSB 219 " --> pdb=" O LYSSB 215 " (cutoff:3.500A) Processing helix chain 'SB' and resid 227 through 241 removed outlier: 3.576A pdb=" N ALASB 238 " --> pdb=" O VALSB 234 " (cutoff:3.500A) removed outlier: 4.255A pdb=" N GLUSB 239 " --> pdb=" O LYSSB 235 " (cutoff:3.500A) removed outlier: 4.246A pdb=" N ILESB 240 " --> pdb=" O ALASB 236 " (cutoff:3.500A) removed outlier: 4.153A pdb=" N SERSB 241 " --> pdb=" O ALASB 237 " (cutoff:3.500A) Processing helix chain 'SB' and resid 247 through 283 Processing helix chain 'SB' and resid 284 through 290 removed outlier: 3.562A pdb=" N METSB 289 " --> pdb=" O ASNSB 285 " (cutoff:3.500A) Processing helix chain 'SB' and resid 291 through 303 Processing helix chain 'SB' and resid 304 through 311 removed outlier: 4.020A pdb=" N HISSB 311 " --> pdb=" O ASNSB 307 " (cutoff:3.500A) Processing helix chain 'SB' and resid 312 through 319 removed outlier: 3.511A pdb=" N ILESB 318 " --> pdb=" O SERSB 314 " (cutoff:3.500A) Processing helix chain 'SB' and resid 321 through 332 removed outlier: 3.668A pdb=" N LEUSB 325 " --> pdb=" O ALASB 321 " (cutoff:3.500A) Processing helix chain 'SB' and resid 340 through 345 removed outlier: 4.665A pdb=" N ALASB 344 " --> pdb=" O LEUSB 340 " (cutoff:3.500A) removed outlier: 5.754A pdb=" N SERSB 345 " --> pdb=" O ILESB 341 " (cutoff:3.500A) No H-bonds generated for 'chain 'SB' and resid 340 through 345' Processing helix chain 'SB' and resid 346 through 351 removed outlier: 5.724A pdb=" N SERSB 351 " --> pdb=" O VALSB 347 " (cutoff:3.500A) Processing helix chain 'SB' and resid 352 through 376 removed outlier: 4.909A pdb=" N GLYSB 356 " --> pdb=" O PROSB 352 " (cutoff:3.500A) removed outlier: 5.297A pdb=" N LYSSB 357 " --> pdb=" O LYSSB 353 " (cutoff:3.500A) removed outlier: 3.536A pdb=" N SERSB 359 " --> pdb=" O LYSSB 355 " (cutoff:3.500A) removed outlier: 3.761A pdb=" N ARGSB 360 " --> pdb=" O GLYSB 356 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N LEUSB 368 " --> pdb=" O ALASB 364 " (cutoff:3.500A) removed outlier: 3.523A pdb=" N ALASB 369 " --> pdb=" O LYSSB 365 " (cutoff:3.500A) Processing helix chain 'SB' and resid 381 through 408 removed outlier: 3.545A pdb=" N ILESB 406 " --> pdb=" O GLYSB 402 " (cutoff:3.500A) Processing helix chain 'SB' and resid 429 through 434 removed outlier: 3.567A pdb=" N GLYSB 432 " --> pdb=" O ASPSB 429 " (cutoff:3.500A) Processing helix chain 'SC' and resid 142 through 151 removed outlier: 4.186A pdb=" N ALASC 146 " --> pdb=" O SERSC 142 " (cutoff:3.500A) Processing helix chain 'SC' and resid 171 through 182 removed outlier: 3.782A pdb=" N HISSC 176 " --> pdb=" O THRSC 172 " (cutoff:3.500A) Processing helix chain 'SC' and resid 194 through 208 removed outlier: 3.851A pdb=" N ASPSC 199 " --> pdb=" O ARGSC 195 " (cutoff:3.500A) removed outlier: 3.507A pdb=" N ASNSC 202 " --> pdb=" O ARGSC 198 " (cutoff:3.500A) removed outlier: 3.737A pdb=" N LYSSC 206 " --> pdb=" O ASNSC 202 " (cutoff:3.500A) removed outlier: 4.470A pdb=" N THRSC 208 " --> pdb=" O ALASC 204 " (cutoff:3.500A) Processing helix chain 'SC' and resid 219 through 224 removed outlier: 4.239A pdb=" N TYRSC 223 " --> pdb=" O HISSC 219 " (cutoff:3.500A) Processing helix chain 'SC' and resid 241 through 253 removed outlier: 3.745A pdb=" N THRSC 252 " --> pdb=" O LEUSC 248 " (cutoff:3.500A) Processing helix chain 'SC' and resid 265 through 270 Processing helix chain 'SC' and resid 274 through 290 removed outlier: 3.770A pdb=" N GLUSC 289 " --> pdb=" O LYSSC 285 " (cutoff:3.500A) removed outlier: 4.620A pdb=" N ASNSC 290 " --> pdb=" O METSC 286 " (cutoff:3.500A) Processing helix chain 'SD' and resid 142 through 151 removed outlier: 3.648A pdb=" N ALASD 146 " --> pdb=" O SERSD 142 " (cutoff:3.500A) Processing helix chain 'SD' and resid 171 through 182 removed outlier: 3.923A pdb=" N HISSD 176 " --> pdb=" O THRSD 172 " (cutoff:3.500A) Processing helix chain 'SD' and resid 194 through 208 removed outlier: 4.212A pdb=" N ASPSD 199 " --> pdb=" O ARGSD 195 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N ASNSD 202 " --> pdb=" O ARGSD 198 " (cutoff:3.500A) removed outlier: 3.901A pdb=" N LYSSD 206 " --> pdb=" O ASNSD 202 " (cutoff:3.500A) removed outlier: 4.557A pdb=" N THRSD 208 " --> pdb=" O ALASD 204 " (cutoff:3.500A) Processing helix chain 'SD' and resid 219 through 224 removed outlier: 4.389A pdb=" N TYRSD 223 " --> pdb=" O HISSD 219 " (cutoff:3.500A) Processing helix chain 'SD' and resid 241 through 253 Processing helix chain 'SD' and resid 265 through 270 removed outlier: 3.671A pdb=" N ILESD 269 " --> pdb=" O LYSSD 265 " (cutoff:3.500A) removed outlier: 3.712A pdb=" N ASPSD 270 " --> pdb=" O ALASD 266 " (cutoff:3.500A) No H-bonds generated for 'chain 'SD' and resid 265 through 270' Processing helix chain 'SD' and resid 274 through 290 removed outlier: 3.838A pdb=" N ASNSD 290 " --> pdb=" O METSD 286 " (cutoff:3.500A) Processing helix chain 'SE' and resid 15 through 33 removed outlier: 3.605A pdb=" N LYSSE 21 " --> pdb=" O HISSE 17 " (cutoff:3.500A) removed outlier: 3.623A pdb=" N ASNSE 31 " --> pdb=" O GLNSE 27 " (cutoff:3.500A) removed outlier: 3.516A pdb=" N TYRSE 32 " --> pdb=" O GLNSE 28 " (cutoff:3.500A) Processing helix chain 'SE' and resid 38 through 49 removed outlier: 3.539A pdb=" N THRSE 45 " --> pdb=" O GLUSE 41 " (cutoff:3.500A) Processing helix chain 'SE' and resid 63 through 77 removed outlier: 3.769A pdb=" N LEUSE 67 " --> pdb=" O LEUSE 63 " (cutoff:3.500A) removed outlier: 4.577A pdb=" N HISSE 68 " --> pdb=" O GLUSE 64 " (cutoff:3.500A) removed outlier: 6.290A pdb=" N LEUSE 69 " --> pdb=" O ILESE 65 " (cutoff:3.500A) Proline residue: SE 70 - end of helix removed outlier: 3.665A pdb=" N ASPSE 75 " --> pdb=" O LEUSE 71 " (cutoff:3.500A) Processing helix chain 'SE' and resid 85 through 94 Processing helix chain 'SE' and resid 112 through 128 removed outlier: 3.602A pdb=" N LEUSE 126 " --> pdb=" O SERSE 122 " (cutoff:3.500A) removed outlier: 3.911A pdb=" N LEUSE 127 " --> pdb=" O ILESE 123 " (cutoff:3.500A) removed outlier: 3.847A pdb=" N VALSE 128 " --> pdb=" O GLUSE 124 " (cutoff:3.500A) Processing helix chain 'SF' and resid 15 through 33 removed outlier: 3.677A pdb=" N ASNSF 31 " --> pdb=" O GLNSF 27 " (cutoff:3.500A) Processing helix chain 'SF' and resid 38 through 49 Processing helix chain 'SF' and resid 63 through 77 removed outlier: 3.805A pdb=" N LEUSF 67 " --> pdb=" O LEUSF 63 " (cutoff:3.500A) removed outlier: 4.533A pdb=" N HISSF 68 " --> pdb=" O GLUSF 64 " (cutoff:3.500A) removed outlier: 6.099A pdb=" N LEUSF 69 " --> pdb=" O ILESF 65 " (cutoff:3.500A) Proline residue: SF 70 - end of helix removed outlier: 3.888A pdb=" N ASPSF 75 " --> pdb=" O LEUSF 71 " (cutoff:3.500A) Processing helix chain 'SF' and resid 85 through 94 removed outlier: 3.547A pdb=" N ALASF 92 " --> pdb=" O ALASF 88 " (cutoff:3.500A) removed outlier: 3.592A pdb=" N GLYSF 94 " --> pdb=" O GLYSF 90 " (cutoff:3.500A) Processing helix chain 'SF' and resid 112 through 128 removed outlier: 3.549A pdb=" N LEUSF 127 " --> pdb=" O ILESF 123 " (cutoff:3.500A) Processing helix chain 'SH' and resid 15 through 27 Processing helix chain 'SH' and resid 45 through 59 Processing helix chain 'SH' and resid 94 through 106 removed outlier: 3.996A pdb=" N TYRSH 98 " --> pdb=" O GLYSH 94 " (cutoff:3.500A) removed outlier: 4.569A pdb=" N SERSH 101 " --> pdb=" O TYRSH 97 " (cutoff:3.500A) Processing helix chain 'SH' and resid 128 through 144 removed outlier: 4.167A pdb=" N LEUSH 137 " --> pdb=" O LYSSH 133 " (cutoff:3.500A) Proline residue: SH 138 - end of helix removed outlier: 3.671A pdb=" N PHESH 143 " --> pdb=" O LEUSH 139 " (cutoff:3.500A) Processing helix chain 'SH' and resid 201 through 217 removed outlier: 4.799A pdb=" N ALASH 205 " --> pdb=" O SERSH 201 " (cutoff:3.500A) removed outlier: 4.009A pdb=" N ASNSH 206 " --> pdb=" O PROSH 202 " (cutoff:3.500A) removed outlier: 4.212A pdb=" N SERSH 211 " --> pdb=" O ARGSH 207 " (cutoff:3.500A) removed outlier: 3.573A pdb=" N ILESH 215 " --> pdb=" O SERSH 211 " (cutoff:3.500A) Processing helix chain 'SH' and resid 271 through 290 Processing helix chain 'SH' and resid 294 through 308 removed outlier: 5.132A pdb=" N SERSH 299 " --> pdb=" O SERSH 295 " (cutoff:3.500A) removed outlier: 5.063A pdb=" N LEUSH 300 " --> pdb=" O THRSH 296 " (cutoff:3.500A) removed outlier: 3.868A pdb=" N GLYSH 308 " --> pdb=" O LEUSH 304 " (cutoff:3.500A) Processing helix chain 'SH' and resid 321 through 335 removed outlier: 3.554A pdb=" N LYSSH 332 " --> pdb=" O LEUSH 328 " (cutoff:3.500A) Processing helix chain 'SI' and resid 49 through 69 removed outlier: 3.636A pdb=" N LYSSI 66 " --> pdb=" O ASPSI 62 " (cutoff:3.500A) removed outlier: 3.659A pdb=" N LYSSI 67 " --> pdb=" O LEUSI 63 " (cutoff:3.500A) removed outlier: 5.723A pdb=" N HISSI 69 " --> pdb=" O THRSI 65 " (cutoff:3.500A) Processing helix chain 'SI' and resid 94 through 107 removed outlier: 3.743A pdb=" N PHESI 106 " --> pdb=" O LEUSI 102 " (cutoff:3.500A) Processing helix chain 'SI' and resid 136 through 147 removed outlier: 3.531A pdb=" N ALASI 144 " --> pdb=" O METSI 140 " (cutoff:3.500A) removed outlier: 3.557A pdb=" N LYSSI 145 " --> pdb=" O ILESI 141 " (cutoff:3.500A) removed outlier: 3.603A pdb=" N VALSI 146 " --> pdb=" O ASPSI 142 " (cutoff:3.500A) Processing helix chain 'SI' and resid 161 through 175 removed outlier: 3.713A pdb=" N PHESI 165 " --> pdb=" O GLUSI 161 " (cutoff:3.500A) removed outlier: 3.603A pdb=" N LEUSI 168 " --> pdb=" O THRSI 164 " (cutoff:3.500A) Processing helix chain 'SI' and resid 192 through 210 removed outlier: 3.825A pdb=" N THRSI 208 " --> pdb=" O HISSI 204 " (cutoff:3.500A) removed outlier: 4.082A pdb=" N GLUSI 209 " --> pdb=" O ARGSI 205 " (cutoff:3.500A) removed outlier: 3.526A pdb=" N VALSI 210 " --> pdb=" O PHESI 206 " (cutoff:3.500A) Processing helix chain 'SI' and resid 228 through 242 Processing helix chain 'SI' and resid 247 through 254 Proline residue: SI 254 - end of helix Processing helix chain 'SI' and resid 266 through 273 removed outlier: 3.746A pdb=" N ILESI 270 " --> pdb=" O ASNSI 266 " (cutoff:3.500A) removed outlier: 3.640A pdb=" N ARGSI 271 " --> pdb=" O PROSI 267 " (cutoff:3.500A) Processing helix chain 'SI' and resid 329 through 334 removed outlier: 5.548A pdb=" N LEUSI 334 " --> pdb=" O GLUSI 330 " (cutoff:3.500A) Processing helix chain 'SI' and resid 369 through 379 removed outlier: 3.976A pdb=" N THRSI 379 " --> pdb=" O SERSI 375 " (cutoff:3.500A) Processing helix chain 'SI' and resid 382 through 391 removed outlier: 3.717A pdb=" N SERSI 389 " --> pdb=" O ALASI 385 " (cutoff:3.500A) removed outlier: 3.544A pdb=" N SERSI 390 " --> pdb=" O LYSSI 386 " (cutoff:3.500A) removed outlier: 5.517A pdb=" N ARGSI 391 " --> pdb=" O METSI 387 " (cutoff:3.500A) Processing helix chain 'SI' and resid 625 through 631 Proline residue: SI 631 - end of helix Processing helix chain 'SI' and resid 666 through 683 removed outlier: 5.294A pdb=" N ASPSI 670 " --> pdb=" O LYSSI 666 " (cutoff:3.500A) removed outlier: 4.729A pdb=" N LEUSI 671 " --> pdb=" O TRPSI 667 " (cutoff:3.500A) removed outlier: 5.319A pdb=" N SERSI 672 " --> pdb=" O LYSSI 668 " (cutoff:3.500A) removed outlier: 6.151A pdb=" N ARGSI 673 " --> pdb=" O GLUSI 669 " (cutoff:3.500A) Processing helix chain 'SI' and resid 688 through 695 removed outlier: 3.569A pdb=" N LEUSI 692 " --> pdb=" O ASNSI 688 " (cutoff:3.500A) Processing helix chain 'SI' and resid 747 through 756 removed outlier: 3.596A pdb=" N SERSI 753 " --> pdb=" O GLUSI 749 " (cutoff:3.500A) removed outlier: 4.189A pdb=" N ILESI 754 " --> pdb=" O VALSI 750 " (cutoff:3.500A) removed outlier: 3.736A pdb=" N ARGSI 755 " --> pdb=" O METSI 751 " (cutoff:3.500A) removed outlier: 4.795A pdb=" N ASPSI 756 " --> pdb=" O ASNSI 752 " (cutoff:3.500A) Processing helix chain 'SI' and resid 846 through 865 removed outlier: 3.508A pdb=" N ARGSI 863 " --> pdb=" O ALASI 859 " (cutoff:3.500A) Processing helix chain 'SI' and resid 870 through 878 removed outlier: 3.676A pdb=" N GLNSI 876 " --> pdb=" O GLUSI 872 " (cutoff:3.500A) Processing helix chain 'SI' and resid 894 through 901 removed outlier: 4.070A pdb=" N VALSI 898 " --> pdb=" O PROSI 894 " (cutoff:3.500A) Processing helix chain 'SI' and resid 1049 through 1057 removed outlier: 3.578A pdb=" N LYSSI1055 " --> pdb=" O LEUSI1051 " (cutoff:3.500A) removed outlier: 3.694A pdb=" N PHESI1056 " --> pdb=" O GLUSI1052 " (cutoff:3.500A) Processing helix chain 'SI' and resid 1131 through 1140 removed outlier: 4.290A pdb=" N GLYSI1140 " --> pdb=" O ARGSI1136 " (cutoff:3.500A) Processing helix chain 'SI' and resid 1146 through 1151 removed outlier: 3.652A pdb=" N LEUSI1150 " --> pdb=" O ASNSI1146 " (cutoff:3.500A) removed outlier: 5.849A pdb=" N TYRSI1151 " --> pdb=" O LYSSI1147 " (cutoff:3.500A) No H-bonds generated for 'chain 'SI' and resid 1146 through 1151' Processing helix chain 'SI' and resid 1167 through 1174 Processing helix chain 'SI' and resid 1202 through 1259 removed outlier: 3.652A pdb=" N ASPSI1253 " --> pdb=" O LYSSI1249 " (cutoff:3.500A) removed outlier: 3.790A pdb=" N LYSSI1257 " --> pdb=" O ASPSI1253 " (cutoff:3.500A) removed outlier: 3.945A pdb=" N LEUSI1258 " --> pdb=" O LEUSI1254 " (cutoff:3.500A) Processing helix chain 'SK' and resid 69 through 77 removed outlier: 4.732A pdb=" N ASNSK 76 " --> pdb=" O ILESK 72 " (cutoff:3.500A) removed outlier: 4.475A pdb=" N GLYSK 77 " --> pdb=" O LEUSK 73 " (cutoff:3.500A) Processing helix chain 'SK' and resid 84 through 98 removed outlier: 4.339A pdb=" N THRSK 88 " --> pdb=" O ARGSK 84 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N METSK 94 " --> pdb=" O GLNSK 90 " (cutoff:3.500A) Processing helix chain 'SK' and resid 99 through 104 Processing helix chain 'SK' and resid 129 through 144 removed outlier: 3.526A pdb=" N PHESK 133 " --> pdb=" O THRSK 129 " (cutoff:3.500A) removed outlier: 3.617A pdb=" N GLYSK 135 " --> pdb=" O ASPSK 131 " (cutoff:3.500A) removed outlier: 3.519A pdb=" N METSK 137 " --> pdb=" O PHESK 133 " (cutoff:3.500A) removed outlier: 3.629A pdb=" N HISSK 142 " --> pdb=" O VALSK 138 " (cutoff:3.500A) Processing helix chain 'SK' and resid 162 through 167 removed outlier: 4.624A pdb=" N HISSK 166 " --> pdb=" O PROSK 162 " (cutoff:3.500A) removed outlier: 3.816A pdb=" N PHESK 167 " --> pdb=" O VALSK 163 " (cutoff:3.500A) No H-bonds generated for 'chain 'SK' and resid 162 through 167' Processing helix chain 'SK' and resid 185 through 191 removed outlier: 3.669A pdb=" N LEUSK 189 " --> pdb=" O ASPSK 185 " (cutoff:3.500A) Proline residue: SK 191 - end of helix Processing helix chain 'SK' and resid 225 through 242 removed outlier: 3.746A pdb=" N ALASK 236 " --> pdb=" O LYSSK 232 " (cutoff:3.500A) removed outlier: 3.796A pdb=" N PHESK 237 " --> pdb=" O LEUSK 233 " (cutoff:3.500A) removed outlier: 4.230A pdb=" N GLUSK 239 " --> pdb=" O THRSK 235 " (cutoff:3.500A) Processing helix chain 'SJ' and resid 69 through 77 removed outlier: 3.701A pdb=" N LYSSJ 75 " --> pdb=" O SERSJ 71 " (cutoff:3.500A) removed outlier: 5.216A pdb=" N ASNSJ 76 " --> pdb=" O ILESJ 72 " (cutoff:3.500A) removed outlier: 4.572A pdb=" N GLYSJ 77 " --> pdb=" O LEUSJ 73 " (cutoff:3.500A) Processing helix chain 'SJ' and resid 84 through 98 removed outlier: 4.601A pdb=" N THRSJ 88 " --> pdb=" O ARGSJ 84 " (cutoff:3.500A) Processing helix chain 'SJ' and resid 99 through 104 Processing helix chain 'SJ' and resid 129 through 144 removed outlier: 3.629A pdb=" N GLNSJ 139 " --> pdb=" O GLYSJ 135 " (cutoff:3.500A) removed outlier: 3.649A pdb=" N HISSJ 142 " --> pdb=" O VALSJ 138 " (cutoff:3.500A) Processing helix chain 'SJ' and resid 162 through 167 removed outlier: 4.658A pdb=" N HISSJ 166 " --> pdb=" O PROSJ 162 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N PHESJ 167 " --> pdb=" O VALSJ 163 " (cutoff:3.500A) No H-bonds generated for 'chain 'SJ' and resid 162 through 167' Processing helix chain 'SJ' and resid 185 through 191 removed outlier: 3.895A pdb=" N LEUSJ 189 " --> pdb=" O ASPSJ 185 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N VALSJ 190 " --> pdb=" O VALSJ 186 " (cutoff:3.500A) Proline residue: SJ 191 - end of helix No H-bonds generated for 'chain 'SJ' and resid 185 through 191' Processing helix chain 'SJ' and resid 225 through 242 removed outlier: 3.524A pdb=" N PHESJ 237 " --> pdb=" O LEUSJ 233 " (cutoff:3.500A) removed outlier: 4.140A pdb=" N GLUSJ 239 " --> pdb=" O THRSJ 235 " (cutoff:3.500A) removed outlier: 4.026A pdb=" N VALSJ 240 " --> pdb=" O ALASJ 236 " (cutoff:3.500A) removed outlier: 3.591A pdb=" N GLYSJ 242 " --> pdb=" O GLUSJ 238 " (cutoff:3.500A) Processing helix chain 'SL' and resid 72 through 83 removed outlier: 3.581A pdb=" N ILESL 76 " --> pdb=" O ASPSL 72 " (cutoff:3.500A) removed outlier: 3.764A pdb=" N ASNSL 77 " --> pdb=" O THRSL 73 " (cutoff:3.500A) Processing helix chain 'SL' and resid 85 through 95 removed outlier: 3.661A pdb=" N METSL 90 " --> pdb=" O LEUSL 86 " (cutoff:3.500A) Processing helix chain 'SL' and resid 103 through 114 removed outlier: 3.656A pdb=" N LEUSL 113 " --> pdb=" O GLUSL 109 " (cutoff:3.500A) removed outlier: 4.241A pdb=" N GLYSL 114 " --> pdb=" O ILESL 110 " (cutoff:3.500A) Processing helix chain 'SL' and resid 115 through 126 removed outlier: 5.385A pdb=" N VALSL 119 " --> pdb=" O GLNSL 115 " (cutoff:3.500A) removed outlier: 6.573A pdb=" N ALASL 120 " --> pdb=" O LYSSL 116 " (cutoff:3.500A) removed outlier: 4.715A pdb=" N ASPSL 126 " --> pdb=" O ARGSL 122 " (cutoff:3.500A) Processing helix chain 'SL' and resid 140 through 152 removed outlier: 4.188A pdb=" N CYSSL 144 " --> pdb=" O TYRSL 140 " (cutoff:3.500A) Processing helix chain 'SL' and resid 161 through 172 removed outlier: 3.577A pdb=" N ARGSL 167 " --> pdb=" O ASPSL 163 " (cutoff:3.500A) removed outlier: 4.054A pdb=" N LYSSL 170 " --> pdb=" O ARGSL 166 " (cutoff:3.500A) removed outlier: 3.906A pdb=" N ILESL 171 " --> pdb=" O ARGSL 167 " (cutoff:3.500A) Proline residue: SL 172 - end of helix Processing helix chain 'SM' and resid 1 through 39 removed outlier: 3.668A pdb=" N ARGSM 18 " --> pdb=" O TYRSM 14 " (cutoff:3.500A) removed outlier: 4.729A pdb=" N GLUSM 20 " --> pdb=" O LYSSM 16 " (cutoff:3.500A) removed outlier: 4.824A pdb=" N ALASM 21 " --> pdb=" O ALASM 17 " (cutoff:3.500A) removed outlier: 3.840A pdb=" N LYSSM 29 " --> pdb=" O ALASM 25 " (cutoff:3.500A) removed outlier: 3.644A pdb=" N GLUSM 30 " --> pdb=" O GLNSM 26 " (cutoff:3.500A) removed outlier: 3.841A pdb=" N ARGSM 31 " --> pdb=" O GLUSM 27 " (cutoff:3.500A) removed outlier: 3.604A pdb=" N LEUSM 32 " --> pdb=" O ARGSM 28 " (cutoff:3.500A) removed outlier: 4.183A pdb=" N ASNSM 39 " --> pdb=" O ALASM 35 " (cutoff:3.500A) Processing helix chain 'SM' and resid 43 through 48 removed outlier: 4.387A pdb=" N ARGSM 48 " --> pdb=" O THRSM 44 " (cutoff:3.500A) Processing helix chain 'SM' and resid 49 through 61 removed outlier: 5.541A pdb=" N ASPSM 61 " --> pdb=" O LEUSM 57 " (cutoff:3.500A) Processing helix chain 'SM' and resid 69 through 76 Processing helix chain 'SM' and resid 94 through 109 removed outlier: 3.585A pdb=" N LYSSM 105 " --> pdb=" O ALASM 101 " (cutoff:3.500A) removed outlier: 3.982A pdb=" N LEUSM 106 " --> pdb=" O LYSSM 102 " (cutoff:3.500A) Proline residue: SM 109 - end of helix Processing helix chain 'SM' and resid 120 through 132 removed outlier: 3.646A pdb=" N VALSM 125 " --> pdb=" O VALSM 121 " (cutoff:3.500A) Processing helix chain 'SM' and resid 169 through 174 removed outlier: 3.667A pdb=" N ILESM 173 " --> pdb=" O METSM 169 " (cutoff:3.500A) Proline residue: SM 174 - end of helix No H-bonds generated for 'chain 'SM' and resid 169 through 174' Processing helix chain 'SM' and resid 193 through 207 removed outlier: 3.827A pdb=" N LEUSM 206 " --> pdb=" O ILESM 202 " (cutoff:3.500A) removed outlier: 4.625A pdb=" N PHESM 207 " --> pdb=" O LEUSM 203 " (cutoff:3.500A) Processing helix chain 'SQ' and resid 552 through 558 removed outlier: 3.647A pdb=" N LEUSQ 556 " --> pdb=" O THRSQ 552 " (cutoff:3.500A) removed outlier: 3.592A pdb=" N LYSSQ 558 " --> pdb=" O ALASQ 554 " (cutoff:3.500A) Processing helix chain 'SQ' and resid 569 through 574 removed outlier: 4.191A pdb=" N GLYSQ 574 " --> pdb=" O ILESQ 570 " (cutoff:3.500A) Processing helix chain 'SQ' and resid 593 through 607 removed outlier: 4.148A pdb=" N ALASQ 607 " --> pdb=" O LEUSQ 603 " (cutoff:3.500A) Processing helix chain 'SQ' and resid 612 through 617 removed outlier: 5.796A pdb=" N HISSQ 617 " --> pdb=" O PHESQ 613 " (cutoff:3.500A) Processing helix chain 'SQ' and resid 625 through 641 removed outlier: 3.539A pdb=" N LYSSQ 639 " --> pdb=" O LYSSQ 635 " (cutoff:3.500A) removed outlier: 4.301A pdb=" N THRSQ 640 " --> pdb=" O GLUSQ 636 " (cutoff:3.500A) removed outlier: 5.289A pdb=" N ALASQ 641 " --> pdb=" O ARGSQ 637 " (cutoff:3.500A) Processing helix chain 'SQ' and resid 654 through 671 removed outlier: 3.550A pdb=" N ARGSQ 667 " --> pdb=" O ALASQ 663 " (cutoff:3.500A) removed outlier: 5.521A pdb=" N ALASQ 668 " --> pdb=" O LEUSQ 664 " (cutoff:3.500A) removed outlier: 6.981A pdb=" N SERSQ 669 " --> pdb=" O LYSSQ 665 " (cutoff:3.500A) removed outlier: 4.314A pdb=" N METSQ 670 " --> pdb=" O METSQ 666 " (cutoff:3.500A) removed outlier: 4.767A pdb=" N ASPSQ 671 " --> pdb=" O ARGSQ 667 " (cutoff:3.500A) Processing helix chain 'SQ' and resid 706 through 711 removed outlier: 3.563A pdb=" N ARGSQ 710 " --> pdb=" O PROSQ 706 " (cutoff:3.500A) removed outlier: 6.034A pdb=" N LYSSQ 711 " --> pdb=" O LYSSQ 707 " (cutoff:3.500A) No H-bonds generated for 'chain 'SQ' and resid 706 through 711' Processing helix chain 'SQ' and resid 713 through 721 removed outlier: 3.521A pdb=" N ASPSQ 721 " --> pdb=" O GLUSQ 717 " (cutoff:3.500A) Processing helix chain 'SQ' and resid 722 through 744 Processing helix chain 'SR' and resid 54 through 60 removed outlier: 4.878A pdb=" N LYSSR 60 " --> pdb=" O GLYSR 56 " (cutoff:3.500A) Processing helix chain 'SR' and resid 63 through 69 removed outlier: 6.138A pdb=" N ARGSR 67 " --> pdb=" O ASNSR 63 " (cutoff:3.500A) removed outlier: 4.453A pdb=" N LYSSR 68 " --> pdb=" O SERSR 64 " (cutoff:3.500A) removed outlier: 4.842A pdb=" N CYSSR 69 " --> pdb=" O ALASR 65 " (cutoff:3.500A) No H-bonds generated for 'chain 'SR' and resid 63 through 69' Processing helix chain 'SR' and resid 87 through 95 removed outlier: 4.371A pdb=" N LEUSR 91 " --> pdb=" O ASNSR 87 " (cutoff:3.500A) removed outlier: 7.325A pdb=" N ASNSR 92 " --> pdb=" O ASPSR 88 " (cutoff:3.500A) removed outlier: 4.648A pdb=" N PHESR 93 " --> pdb=" O GLYSR 89 " (cutoff:3.500A) removed outlier: 3.803A pdb=" N ILESR 94 " --> pdb=" O CYSSR 90 " (cutoff:3.500A) removed outlier: 5.022A pdb=" N GLUSR 95 " --> pdb=" O LEUSR 91 " (cutoff:3.500A) No H-bonds generated for 'chain 'SR' and resid 87 through 95' Processing helix chain 'SR' and resid 129 through 136 removed outlier: 3.618A pdb=" N GLYSR 136 " --> pdb=" O ALASR 132 " (cutoff:3.500A) Processing helix chain 'SR' and resid 108 through 113 removed outlier: 3.753A pdb=" N VALSR 112 " --> pdb=" O GLYSR 109 " (cutoff:3.500A) removed outlier: 4.988A pdb=" N GLYSR 113 " --> pdb=" O HISSR 110 " (cutoff:3.500A) Processing helix chain 'SS' and resid 121 through 148 removed outlier: 4.337A pdb=" N LYSSS 143 " --> pdb=" O GLNSS 139 " (cutoff:3.500A) removed outlier: 4.745A pdb=" N TRPSS 144 " --> pdb=" O VALSS 140 " (cutoff:3.500A) removed outlier: 4.119A pdb=" N ASPSS 145 " --> pdb=" O LEUSS 141 " (cutoff:3.500A) Proline residue: SS 146 - end of helix Processing helix chain 'SS' and resid 170 through 178 removed outlier: 5.646A pdb=" N VALSS 174 " --> pdb=" O PROSS 170 " (cutoff:3.500A) removed outlier: 4.033A pdb=" N SERSS 176 " --> pdb=" O GLUSS 172 " (cutoff:3.500A) removed outlier: 4.331A pdb=" N GLYSS 177 " --> pdb=" O HISSS 173 " (cutoff:3.500A) removed outlier: 4.040A pdb=" N TRPSS 178 " --> pdb=" O VALSS 174 " (cutoff:3.500A) Processing helix chain 'SS' and resid 182 through 196 removed outlier: 4.134A pdb=" N LYSSS 196 " --> pdb=" O LEUSS 192 " (cutoff:3.500A) Processing helix chain 'SS' and resid 217 through 250 removed outlier: 3.894A pdb=" N ARGSS 243 " --> pdb=" O ALASS 239 " (cutoff:3.500A) removed outlier: 3.949A pdb=" N GLUSS 244 " --> pdb=" O LYSSS 240 " (cutoff:3.500A) Processing helix chain 'SS' and resid 674 through 682 removed outlier: 4.164A pdb=" N HISSS 680 " --> pdb=" O HISSS 676 " (cutoff:3.500A) removed outlier: 3.670A pdb=" N GLNSS 681 " --> pdb=" O ALASS 677 " (cutoff:3.500A) removed outlier: 5.553A pdb=" N VALSS 682 " --> pdb=" O ALASS 678 " (cutoff:3.500A) Processing helix chain 'SS' and resid 691 through 701 removed outlier: 3.674A pdb=" N PHESS 695 " --> pdb=" O HISSS 691 " (cutoff:3.500A) removed outlier: 3.531A pdb=" N ARGSS 697 " --> pdb=" O TRPSS 693 " (cutoff:3.500A) removed outlier: 4.171A pdb=" N THRSS 698 " --> pdb=" O GLNSS 694 " (cutoff:3.500A) removed outlier: 3.979A pdb=" N ILESS 699 " --> pdb=" O PHESS 695 " (cutoff:3.500A) removed outlier: 3.892A pdb=" N GLNSS 700 " --> pdb=" O GLUSS 696 " (cutoff:3.500A) removed outlier: 4.987A pdb=" N THRSS 701 " --> pdb=" O ARGSS 697 " (cutoff:3.500A) Processing helix chain 'SS' and resid 709 through 718 Processing helix chain 'SS' and resid 732 through 737 removed outlier: 7.083A pdb=" N ASPSS 736 " --> pdb=" O ILESS 732 " (cutoff:3.500A) Processing helix chain 'SY' and resid 1 through 12 removed outlier: 5.113A pdb=" N ARGSY 12 " --> pdb=" O ALASY 8 " (cutoff:3.500A) Processing helix chain 'SY' and resid 35 through 61 removed outlier: 3.941A pdb=" N LEUSY 39 " --> pdb=" O LYSSY 35 " (cutoff:3.500A) removed outlier: 3.700A pdb=" N LEUSY 59 " --> pdb=" O ARGSY 55 " (cutoff:3.500A) removed outlier: 4.079A pdb=" N GLUSY 60 " --> pdb=" O LYSSY 56 " (cutoff:3.500A) removed outlier: 3.630A pdb=" N LYSSY 61 " --> pdb=" O LYSSY 57 " (cutoff:3.500A) Processing helix chain 'SY' and resid 67 through 73 removed outlier: 4.169A pdb=" N THRSY 71 " --> pdb=" O TYRSY 67 " (cutoff:3.500A) removed outlier: 4.582A pdb=" N ARGSY 72 " --> pdb=" O TYRSY 68 " (cutoff:3.500A) Processing helix chain 'SY' and resid 90 through 124 removed outlier: 3.554A pdb=" N ARGSY 98 " --> pdb=" O LEUSY 94 " (cutoff:3.500A) removed outlier: 4.123A pdb=" N GLUSY 122 " --> pdb=" O ARGSY 118 " (cutoff:3.500A) Processing helix chain 'SY' and resid 142 through 149 removed outlier: 3.553A pdb=" N VALSY 146 " --> pdb=" O THRSY 142 " (cutoff:3.500A) Processing helix chain 'SY' and resid 150 through 156 Processing helix chain 'SY' and resid 158 through 165 removed outlier: 3.979A pdb=" N ASPSY 163 " --> pdb=" O PROSY 159 " (cutoff:3.500A) removed outlier: 3.963A pdb=" N ARGSY 164 " --> pdb=" O GLUSY 160 " (cutoff:3.500A) removed outlier: 4.810A pdb=" N VALSY 165 " --> pdb=" O LEUSY 161 " (cutoff:3.500A) Processing helix chain 'SY' and resid 170 through 175 Processing helix chain 'SY' and resid 185 through 227 removed outlier: 3.508A pdb=" N LYSSY 211 " --> pdb=" O GLUSY 207 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N METSY 226 " --> pdb=" O ARGSY 222 " (cutoff:3.500A) removed outlier: 4.380A pdb=" N ASPSY 227 " --> pdb=" O LYSSY 223 " (cutoff:3.500A) Processing helix chain 'NH' and resid 76 through 96 removed outlier: 3.557A pdb=" N GLUNH 94 " --> pdb=" O GLUNH 90 " (cutoff:3.500A) Processing helix chain 'NH' and resid 98 through 119 removed outlier: 4.066A pdb=" N ARGNH 118 " --> pdb=" O GLNNH 114 " (cutoff:3.500A) removed outlier: 5.002A pdb=" N VALNH 119 " --> pdb=" O ARGNH 115 " (cutoff:3.500A) Processing helix chain 'NH' and resid 164 through 169 removed outlier: 4.533A pdb=" N LEUNH 168 " --> pdb=" O GLYNH 164 " (cutoff:3.500A) Processing helix chain 'NH' and resid 185 through 190 removed outlier: 4.060A pdb=" N LEUNH 189 " --> pdb=" O PRONH 185 " (cutoff:3.500A) removed outlier: 5.182A pdb=" N GLNNH 190 " --> pdb=" O ARGNH 186 " (cutoff:3.500A) No H-bonds generated for 'chain 'NH' and resid 185 through 190' Processing helix chain 'NH' and resid 197 through 215 Processing helix chain 'NH' and resid 263 through 268 removed outlier: 3.915A pdb=" N LEUNH 267 " --> pdb=" O ARGNH 263 " (cutoff:3.500A) removed outlier: 4.306A pdb=" N LEUNH 268 " --> pdb=" O PRONH 264 " (cutoff:3.500A) No H-bonds generated for 'chain 'NH' and resid 263 through 268' Processing helix chain 'NH' and resid 275 through 280 Processing helix chain 'NH' and resid 294 through 307 removed outlier: 3.592A pdb=" N ASPNH 304 " --> pdb=" O TRPNH 300 " (cutoff:3.500A) removed outlier: 3.835A pdb=" N THRNH 305 " --> pdb=" O VALNH 301 " (cutoff:3.500A) removed outlier: 4.124A pdb=" N LEUNH 307 " --> pdb=" O GLNNH 303 " (cutoff:3.500A) Processing helix chain 'NH' and resid 308 through 322 removed outlier: 3.606A pdb=" N SERNH 319 " --> pdb=" O SERNH 315 " (cutoff:3.500A) removed outlier: 5.011A pdb=" N SERNH 320 " --> pdb=" O THRNH 316 " (cutoff:3.500A) removed outlier: 4.657A pdb=" N ALANH 321 " --> pdb=" O ILENH 317 " (cutoff:3.500A) removed outlier: 5.263A pdb=" N GLNNH 322 " --> pdb=" O LEUNH 318 " (cutoff:3.500A) Processing helix chain 'NH' and resid 323 through 339 removed outlier: 3.554A pdb=" N VALNH 333 " --> pdb=" O ALANH 329 " (cutoff:3.500A) Processing helix chain 'NH' and resid 348 through 363 removed outlier: 3.866A pdb=" N VALNH 352 " --> pdb=" O THRNH 348 " (cutoff:3.500A) removed outlier: 4.399A pdb=" N ARGNH 363 " --> pdb=" O LEUNH 359 " (cutoff:3.500A) Processing helix chain 'NH' and resid 370 through 385 removed outlier: 3.695A pdb=" N GLNNH 380 " --> pdb=" O ARGNH 376 " (cutoff:3.500A) Processing helix chain 'NH' and resid 404 through 412 removed outlier: 4.011A pdb=" N PHENH 408 " --> pdb=" O ALANH 404 " (cutoff:3.500A) Processing helix chain 'NH' and resid 430 through 451 removed outlier: 4.948A pdb=" N ARGNH 451 " --> pdb=" O LEUNH 447 " (cutoff:3.500A) Processing helix chain 'NH' and resid 454 through 460 Processing helix chain 'NH' and resid 465 through 471 removed outlier: 5.588A pdb=" N ASPNH 471 " --> pdb=" O ILENH 467 " (cutoff:3.500A) Processing helix chain 'NH' and resid 478 through 490 removed outlier: 4.153A pdb=" N LEUNH 482 " --> pdb=" O PRONH 478 " (cutoff:3.500A) removed outlier: 3.878A pdb=" N GLNNH 483 " --> pdb=" O LEUNH 479 " (cutoff:3.500A) removed outlier: 3.926A pdb=" N ALANH 484 " --> pdb=" O SERNH 480 " (cutoff:3.500A) removed outlier: 4.530A pdb=" N LYSNH 490 " --> pdb=" O CYSNH 486 " (cutoff:3.500A) Processing helix chain 'NH' and resid 491 through 499 removed outlier: 3.547A pdb=" N GLYNH 499 " --> pdb=" O LEUNH 495 " (cutoff:3.500A) Processing helix chain 'NH' and resid 504 through 519 removed outlier: 4.329A pdb=" N GLYNH 508 " --> pdb=" O SERNH 504 " (cutoff:3.500A) Proline residue: NH 509 - end of helix removed outlier: 3.509A pdb=" N GLNNH 516 " --> pdb=" O THRNH 512 " (cutoff:3.500A) Processing helix chain 'NH' and resid 543 through 548 removed outlier: 5.191A pdb=" N GLYNH 548 " --> pdb=" O HISNH 544 " (cutoff:3.500A) Processing helix chain 'NH' and resid 557 through 562 removed outlier: 4.144A pdb=" N LEUNH 561 " --> pdb=" O ARGNH 557 " (cutoff:3.500A) removed outlier: 4.864A pdb=" N THRNH 562 " --> pdb=" O PRONH 558 " (cutoff:3.500A) No H-bonds generated for 'chain 'NH' and resid 557 through 562' Processing helix chain 'NH' and resid 574 through 584 removed outlier: 4.012A pdb=" N LYSNH 578 " --> pdb=" O PRONH 574 " (cutoff:3.500A) Processing helix chain 'NH' and resid 607 through 626 Proline residue: NH 615 - end of helix Processing helix chain 'NH' and resid 630 through 635 removed outlier: 3.893A pdb=" N VALNH 634 " --> pdb=" O PRONH 630 " (cutoff:3.500A) removed outlier: 5.247A pdb=" N HISNH 635 " --> pdb=" O GLUNH 631 " (cutoff:3.500A) No H-bonds generated for 'chain 'NH' and resid 630 through 635' Processing helix chain 'NH' and resid 641 through 647 removed outlier: 4.202A pdb=" N ILENH 645 " --> pdb=" O LEUNH 641 " (cutoff:3.500A) removed outlier: 3.565A pdb=" N GLNNH 646 " --> pdb=" O ASPNH 642 " (cutoff:3.500A) removed outlier: 5.295A pdb=" N GLYNH 647 " --> pdb=" O ALANH 643 " (cutoff:3.500A) No H-bonds generated for 'chain 'NH' and resid 641 through 647' Processing helix chain 'NH' and resid 655 through 676 removed outlier: 4.249A pdb=" N GLYNH 675 " --> pdb=" O ARGNH 671 " (cutoff:3.500A) Processing helix chain 'NH' and resid 690 through 695 removed outlier: 3.548A pdb=" N ARGNH 694 " --> pdb=" O HISNH 690 " (cutoff:3.500A) Processing helix chain 'NH' and resid 707 through 712 removed outlier: 4.102A pdb=" N TYRNH 711 " --> pdb=" O ALANH 707 " (cutoff:3.500A) removed outlier: 5.198A pdb=" N GLUNH 712 " --> pdb=" O PHENH 708 " (cutoff:3.500A) No H-bonds generated for 'chain 'NH' and resid 707 through 712' Processing helix chain 'NH' and resid 750 through 773 removed outlier: 3.767A pdb=" N GLNNH 755 " --> pdb=" O ALANH 751 " (cutoff:3.500A) Processing helix chain 'NH' and resid 801 through 808 removed outlier: 3.698A pdb=" N GLUNH 808 " --> pdb=" O GLNNH 804 " (cutoff:3.500A) Processing helix chain 'NH' and resid 821 through 849 removed outlier: 4.786A pdb=" N LEUNH 834 " --> pdb=" O ASPNH 830 " (cutoff:3.500A) Proline residue: NH 835 - end of helix removed outlier: 3.741A pdb=" N GLNNH 846 " --> pdb=" O HISNH 842 " (cutoff:3.500A) removed outlier: 3.685A pdb=" N GLNNH 847 " --> pdb=" O GLYNH 843 " (cutoff:3.500A) Proline residue: NH 849 - end of helix Processing helix chain 'NH' and resid 850 through 866 removed outlier: 3.851A pdb=" N LEUNH 866 " --> pdb=" O VALNH 862 " (cutoff:3.500A) Processing helix chain 'NH' and resid 867 through 872 removed outlier: 4.517A pdb=" N PHENH 871 " --> pdb=" O LEUNH 867 " (cutoff:3.500A) removed outlier: 5.274A pdb=" N ALANH 872 " --> pdb=" O GLYNH 868 " (cutoff:3.500A) No H-bonds generated for 'chain 'NH' and resid 867 through 872' Processing helix chain 'NH' and resid 873 through 886 removed outlier: 3.573A pdb=" N LEUNH 883 " --> pdb=" O VALNH 879 " (cutoff:3.500A) removed outlier: 3.959A pdb=" N PHENH 884 " --> pdb=" O ALANH 880 " (cutoff:3.500A) Processing helix chain 'NH' and resid 895 through 910 removed outlier: 3.590A pdb=" N GLYNH 899 " --> pdb=" O SERNH 895 " (cutoff:3.500A) Processing helix chain 'NH' and resid 926 through 941 Processing helix chain 'NH' and resid 958 through 964 removed outlier: 4.638A pdb=" N ASPNH 963 " --> pdb=" O VALNH 959 " (cutoff:3.500A) removed outlier: 4.770A pdb=" N GLYNH 964 " --> pdb=" O TRPNH 960 " (cutoff:3.500A) Processing helix chain 'NH' and resid 966 through 990 Proline residue: NH 982 - end of helix Processing helix chain 'NH' and resid 1015 through 1020 removed outlier: 4.038A pdb=" N ILENH1019 " --> pdb=" O SERNH1015 " (cutoff:3.500A) Proline residue: NH1020 - end of helix No H-bonds generated for 'chain 'NH' and resid 1015 through 1020' Processing helix chain 'NH' and resid 1053 through 1066 Processing helix chain 'NH' and resid 1087 through 1092 removed outlier: 3.680A pdb=" N GLNNH1092 " --> pdb=" O PRONH1088 " (cutoff:3.500A) Processing helix chain 'NH' and resid 1097 through 1102 removed outlier: 5.408A pdb=" N LYSNH1102 " --> pdb=" O ALANH1098 " (cutoff:3.500A) Processing helix chain 'NH' and resid 1118 through 1131 removed outlier: 3.552A pdb=" N ALANH1127 " --> pdb=" O LEUNH1123 " (cutoff:3.500A) removed outlier: 5.055A pdb=" N GLYNH1130 " --> pdb=" O PHENH1126 " (cutoff:3.500A) removed outlier: 3.907A pdb=" N GLUNH1131 " --> pdb=" O ALANH1127 " (cutoff:3.500A) Processing helix chain 'SP' and resid 18 through 27 removed outlier: 3.560A pdb=" N GLYSP 24 " --> pdb=" O ALASP 20 " (cutoff:3.500A) removed outlier: 6.107A pdb=" N ASNSP 27 " --> pdb=" O LEUSP 23 " (cutoff:3.500A) Processing helix chain 'SP' and resid 46 through 59 removed outlier: 3.568A pdb=" N GLUSP 50 " --> pdb=" O THRSP 46 " (cutoff:3.500A) removed outlier: 3.974A pdb=" N GLUSP 57 " --> pdb=" O LEUSP 53 " (cutoff:3.500A) removed outlier: 3.541A pdb=" N LEUSP 58 " --> pdb=" O LYSSP 54 " (cutoff:3.500A) Processing helix chain 'SP' and resid 61 through 76 removed outlier: 3.575A pdb=" N PHESP 67 " --> pdb=" O HISSP 63 " (cutoff:3.500A) removed outlier: 3.790A pdb=" N GLUSP 70 " --> pdb=" O LYSSP 66 " (cutoff:3.500A) removed outlier: 3.613A pdb=" N VALSP 71 " --> pdb=" O PHESP 67 " (cutoff:3.500A) removed outlier: 4.767A pdb=" N ASPSP 73 " --> pdb=" O LYSSP 69 " (cutoff:3.500A) removed outlier: 5.026A pdb=" N LYSSP 74 " --> pdb=" O GLUSP 70 " (cutoff:3.500A) removed outlier: 3.686A pdb=" N CYSSP 75 " --> pdb=" O VALSP 71 " (cutoff:3.500A) removed outlier: 4.346A pdb=" N GLNSP 76 " --> pdb=" O ILESP 72 " (cutoff:3.500A) Processing helix chain 'SP' and resid 77 through 85 Processing helix chain 'SP' and resid 86 through 99 removed outlier: 5.849A pdb=" N LYSSP 99 " --> pdb=" O HISSP 95 " (cutoff:3.500A) Processing helix chain 'SP' and resid 103 through 119 Processing helix chain 'SP' and resid 120 through 126 Proline residue: SP 124 - end of helix No H-bonds generated for 'chain 'SP' and resid 120 through 126' Processing helix chain 'SP' and resid 127 through 138 removed outlier: 3.824A pdb=" N ILESP 136 " --> pdb=" O THRSP 132 " (cutoff:3.500A) removed outlier: 3.925A pdb=" N LEUSP 137 " --> pdb=" O ILESP 133 " (cutoff:3.500A) removed outlier: 4.788A pdb=" N GLUSP 138 " --> pdb=" O THRSP 134 " (cutoff:3.500A) Processing helix chain 'SP' and resid 141 through 160 Processing helix chain 'SP' and resid 161 through 167 removed outlier: 3.773A pdb=" N LYSSP 165 " --> pdb=" O ARGSP 161 " (cutoff:3.500A) removed outlier: 3.689A pdb=" N ASPSP 166 " --> pdb=" O LEUSP 162 " (cutoff:3.500A) Processing helix chain 'SP' and resid 168 through 180 removed outlier: 3.911A pdb=" N THRSP 176 " --> pdb=" O SERSP 172 " (cutoff:3.500A) removed outlier: 4.512A pdb=" N LEUSP 177 " --> pdb=" O METSP 173 " (cutoff:3.500A) removed outlier: 3.892A pdb=" N LEUSP 178 " --> pdb=" O TYRSP 174 " (cutoff:3.500A) removed outlier: 3.604A pdb=" N ALASP 179 " --> pdb=" O SERSP 175 " (cutoff:3.500A) removed outlier: 4.267A pdb=" N HISSP 180 " --> pdb=" O THRSP 176 " (cutoff:3.500A) Processing helix chain 'SP' and resid 182 through 200 removed outlier: 3.648A pdb=" N ARGSP 186 " --> pdb=" O LYSSP 182 " (cutoff:3.500A) removed outlier: 3.620A pdb=" N THRSP 194 " --> pdb=" O ALASP 190 " (cutoff:3.500A) removed outlier: 4.862A pdb=" N PHESP 195 " --> pdb=" O GLUSP 191 " (cutoff:3.500A) removed outlier: 5.254A pdb=" N LEUSP 196 " --> pdb=" O SERSP 192 " (cutoff:3.500A) removed outlier: 3.577A pdb=" N LYSSP 199 " --> pdb=" O PHESP 195 " (cutoff:3.500A) removed outlier: 3.771A pdb=" N VALSP 200 " --> pdb=" O LEUSP 196 " (cutoff:3.500A) Processing helix chain 'SP' and resid 202 through 218 removed outlier: 3.760A pdb=" N LEUSP 206 " --> pdb=" O ASPSP 202 " (cutoff:3.500A) removed outlier: 3.632A pdb=" N LYSSP 216 " --> pdb=" O LEUSP 212 " (cutoff:3.500A) Proline residue: SP 218 - end of helix Processing helix chain 'SP' and resid 220 through 233 removed outlier: 3.591A pdb=" N CYSSP 232 " --> pdb=" O LEUSP 228 " (cutoff:3.500A) Processing helix chain 'SP' and resid 242 through 255 removed outlier: 3.512A pdb=" N ALASP 246 " --> pdb=" O CYSSP 242 " (cutoff:3.500A) removed outlier: 3.649A pdb=" N LYSSP 248 " --> pdb=" O GLYSP 244 " (cutoff:3.500A) removed outlier: 3.720A pdb=" N LEUSP 254 " --> pdb=" O ILESP 250 " (cutoff:3.500A) removed outlier: 5.128A pdb=" N GLYSP 255 " --> pdb=" O LEUSP 251 " (cutoff:3.500A) Processing helix chain 'SP' and resid 265 through 284 removed outlier: 3.649A pdb=" N GLUSP 271 " --> pdb=" O METSP 267 " (cutoff:3.500A) removed outlier: 3.532A pdb=" N SERSP 279 " --> pdb=" O ASNSP 275 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N SERSP 282 " --> pdb=" O LYSSP 278 " (cutoff:3.500A) Processing helix chain 'SP' and resid 285 through 307 removed outlier: 4.226A pdb=" N GLYSP 290 " --> pdb=" O LYSSP 286 " (cutoff:3.500A) removed outlier: 6.363A pdb=" N THRSP 291 " --> pdb=" O GLUSP 287 " (cutoff:3.500A) removed outlier: 5.471A pdb=" N PHESP 292 " --> pdb=" O HISSP 288 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N PHESP 293 " --> pdb=" O PHESP 289 " (cutoff:3.500A) removed outlier: 3.666A pdb=" N GLUSP 298 " --> pdb=" O GLUSP 294 " (cutoff:3.500A) removed outlier: 3.594A pdb=" N LEUSP 300 " --> pdb=" O LEUSP 296 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N THRSP 305 " --> pdb=" O LEUSP 301 " (cutoff:3.500A) Processing helix chain 'SP' and resid 311 through 336 removed outlier: 3.585A pdb=" N GLUSP 317 " --> pdb=" O CYSSP 313 " (cutoff:3.500A) removed outlier: 3.597A pdb=" N ILESP 328 " --> pdb=" O GLUSP 324 " (cutoff:3.500A) removed outlier: 5.943A pdb=" N GLYSP 333 " --> pdb=" O LEUSP 329 " (cutoff:3.500A) removed outlier: 3.610A pdb=" N SERSP 334 " --> pdb=" O VALSP 330 " (cutoff:3.500A) removed outlier: 5.167A pdb=" N GLYSP 335 " --> pdb=" O LYSSP 331 " (cutoff:3.500A) removed outlier: 3.819A pdb=" N THRSP 336 " --> pdb=" O HISSP 332 " (cutoff:3.500A) Processing helix chain 'SP' and resid 340 through 354 removed outlier: 3.635A pdb=" N VALSP 344 " --> pdb=" O THRSP 340 " (cutoff:3.500A) removed outlier: 3.687A pdb=" N LEUSP 352 " --> pdb=" O LEUSP 348 " (cutoff:3.500A) removed outlier: 3.796A pdb=" N GLNSP 353 " --> pdb=" O SERSP 349 " (cutoff:3.500A) removed outlier: 3.806A pdb=" N VALSP 354 " --> pdb=" O GLNSP 350 " (cutoff:3.500A) Processing helix chain 'SP' and resid 358 through 375 Processing helix chain 'SP' and resid 381 through 395 Processing helix chain 'SP' and resid 398 through 411 removed outlier: 3.605A pdb=" N ILESP 402 " --> pdb=" O GLUSP 398 " (cutoff:3.500A) removed outlier: 3.566A pdb=" N GLUSP 407 " --> pdb=" O PHESP 403 " (cutoff:3.500A) removed outlier: 3.737A pdb=" N VALSP 408 " --> pdb=" O SERSP 404 " (cutoff:3.500A) removed outlier: 5.086A pdb=" N ALASP 411 " --> pdb=" O GLUSP 407 " (cutoff:3.500A) Processing helix chain 'SP' and resid 419 through 434 removed outlier: 3.576A pdb=" N ASNSP 429 " --> pdb=" O SERSP 425 " (cutoff:3.500A) removed outlier: 4.130A pdb=" N ASPSP 434 " --> pdb=" O CYSSP 430 " (cutoff:3.500A) Processing helix chain 'SP' and resid 435 through 454 removed outlier: 3.573A pdb=" N ASPSP 440 " --> pdb=" O ALASP 436 " (cutoff:3.500A) removed outlier: 3.560A pdb=" N GLUSP 441 " --> pdb=" O VALSP 437 " (cutoff:3.500A) Processing helix chain 'SP' and resid 494 through 507 removed outlier: 3.723A pdb=" N ASPSP 498 " --> pdb=" O PHESP 494 " (cutoff:3.500A) removed outlier: 3.534A pdb=" N HISSP 499 " --> pdb=" O PROSP 495 " (cutoff:3.500A) Proline residue: SP 507 - end of helix Processing helix chain 'SP' and resid 513 through 526 removed outlier: 3.556A pdb=" N VALSP 524 " --> pdb=" O ALASP 520 " (cutoff:3.500A) Proline residue: SP 526 - end of helix Processing helix chain 'SP' and resid 534 through 554 Proline residue: SP 538 - end of helix removed outlier: 3.562A pdb=" N ILESP 544 " --> pdb=" O VALSP 540 " (cutoff:3.500A) removed outlier: 3.500A pdb=" N GLUSP 545 " --> pdb=" O THRSP 541 " (cutoff:3.500A) removed outlier: 3.791A pdb=" N ALASP 546 " --> pdb=" O GLYSP 542 " (cutoff:3.500A) removed outlier: 4.050A pdb=" N GLYSP 554 " --> pdb=" O THRSP 550 " (cutoff:3.500A) Processing helix chain 'SP' and resid 557 through 575 Processing helix chain 'SP' and resid 579 through 585 Proline residue: SP 585 - end of helix Processing helix chain 'SP' and resid 586 through 596 removed outlier: 3.508A pdb=" N LEUSP 592 " --> pdb=" O ARGSP 588 " (cutoff:3.500A) removed outlier: 3.863A pdb=" N VALSP 593 " --> pdb=" O VALSP 589 " (cutoff:3.500A) Processing helix chain 'SP' and resid 599 through 617 removed outlier: 3.620A pdb=" N ARGSP 612 " --> pdb=" O LEUSP 608 " (cutoff:3.500A) Processing helix chain 'SP' and resid 618 through 623 removed outlier: 3.872A pdb=" N LEUSP 622 " --> pdb=" O CYSSP 618 " (cutoff:3.500A) removed outlier: 4.183A pdb=" N SERSP 623 " --> pdb=" O LYSSP 619 " (cutoff:3.500A) No H-bonds generated for 'chain 'SP' and resid 618 through 623' Processing helix chain 'SP' and resid 624 through 635 removed outlier: 3.529A pdb=" N LEUSP 630 " --> pdb=" O ALASP 626 " (cutoff:3.500A) Proline residue: SP 632 - end of helix Processing helix chain 'SP' and resid 642 through 656 removed outlier: 3.744A pdb=" N HISSP 655 " --> pdb=" O ARGSP 651 " (cutoff:3.500A) removed outlier: 4.402A pdb=" N PHESP 656 " --> pdb=" O ILESP 652 " (cutoff:3.500A) Processing helix chain 'SP' and resid 674 through 685 removed outlier: 3.834A pdb=" N VALSP 685 " --> pdb=" O GLNSP 681 " (cutoff:3.500A) Processing helix chain 'SP' and resid 691 through 703 removed outlier: 4.155A pdb=" N LYSSP 701 " --> pdb=" O LEUSP 697 " (cutoff:3.500A) removed outlier: 4.268A pdb=" N LEUSP 702 " --> pdb=" O HISSP 698 " (cutoff:3.500A) removed outlier: 4.593A pdb=" N ARGSP 703 " --> pdb=" O LEUSP 699 " (cutoff:3.500A) Processing helix chain 'SP' and resid 704 through 712 removed outlier: 5.989A pdb=" N THRSP 709 " --> pdb=" O ASPSP 705 " (cutoff:3.500A) removed outlier: 5.631A pdb=" N ALASP 710 " --> pdb=" O VALSP 706 " (cutoff:3.500A) removed outlier: 3.680A pdb=" N VALSP 711 " --> pdb=" O VALSP 707 " (cutoff:3.500A) Proline residue: SP 712 - end of helix Processing helix chain 'SP' and resid 718 through 730 removed outlier: 3.818A pdb=" N LEUSP 728 " --> pdb=" O LEUSP 724 " (cutoff:3.500A) removed outlier: 4.582A pdb=" N TYRSP 729 " --> pdb=" O LEUSP 725 " (cutoff:3.500A) removed outlier: 4.443A pdb=" N ILESP 730 " --> pdb=" O GLYSP 726 " (cutoff:3.500A) Processing helix chain 'SP' and resid 733 through 750 removed outlier: 4.716A pdb=" N ASPSP 737 " --> pdb=" O SERSP 733 " (cutoff:3.500A) Proline residue: SP 738 - end of helix removed outlier: 3.679A pdb=" N GLUSP 741 " --> pdb=" O ASPSP 737 " (cutoff:3.500A) removed outlier: 3.719A pdb=" N LEUSP 742 " --> pdb=" O PROSP 738 " (cutoff:3.500A) removed outlier: 3.540A pdb=" N GLUSP 749 " --> pdb=" O SERSP 745 " (cutoff:3.500A) Processing helix chain 'SP' and resid 753 through 776 removed outlier: 3.546A pdb=" N VALSP 758 " --> pdb=" O GLNSP 754 " (cutoff:3.500A) Processing helix chain 'SP' and resid 795 through 810 removed outlier: 3.854A pdb=" N GLUSP 803 " --> pdb=" O ALASP 799 " (cutoff:3.500A) Processing helix chain 'SP' and resid 816 through 832 removed outlier: 3.875A pdb=" N THRSP 829 " --> pdb=" O TRPSP 825 " (cutoff:3.500A) removed outlier: 3.938A pdb=" N LYSSP 830 " --> pdb=" O ARGSP 826 " (cutoff:3.500A) removed outlier: 3.915A pdb=" N PHESP 831 " --> pdb=" O ALASP 827 " (cutoff:3.500A) Proline residue: SP 832 - end of helix Processing helix chain 'SP' and resid 838 through 853 removed outlier: 3.548A pdb=" N LEUSP 842 " --> pdb=" O ARGSP 838 " (cutoff:3.500A) Proline residue: SP 844 - end of helix Processing helix chain 'SP' and resid 856 through 861 removed outlier: 3.864A pdb=" N GLNSP 860 " --> pdb=" O PROSP 856 " (cutoff:3.500A) removed outlier: 4.614A pdb=" N VALSP 861 " --> pdb=" O ALASP 857 " (cutoff:3.500A) No H-bonds generated for 'chain 'SP' and resid 856 through 861' Processing helix chain 'SP' and resid 911 through 925 removed outlier: 3.612A pdb=" N LEUSP 915 " --> pdb=" O ALASP 911 " (cutoff:3.500A) removed outlier: 3.776A pdb=" N VALSP 921 " --> pdb=" O ALASP 917 " (cutoff:3.500A) removed outlier: 3.740A pdb=" N PHESP 922 " --> pdb=" O HISSP 918 " (cutoff:3.500A) removed outlier: 3.593A pdb=" N LYSSP 924 " --> pdb=" O GLNSP 920 " (cutoff:3.500A) removed outlier: 4.202A pdb=" N PHESP 925 " --> pdb=" O VALSP 921 " (cutoff:3.500A) Processing helix chain 'SP' and resid 927 through 932 removed outlier: 3.902A pdb=" N LEUSP 931 " --> pdb=" O ASNSP 927 " (cutoff:3.500A) removed outlier: 5.730A pdb=" N TYRSP 932 " --> pdb=" O PROSP 928 " (cutoff:3.500A) No H-bonds generated for 'chain 'SP' and resid 927 through 932' Processing helix chain 'SP' and resid 933 through 948 removed outlier: 3.682A pdb=" N LEUSP 937 " --> pdb=" O LEUSP 933 " (cutoff:3.500A) removed outlier: 3.577A pdb=" N TYRSP 938 " --> pdb=" O GLUSP 934 " (cutoff:3.500A) removed outlier: 4.143A pdb=" N GLUSP 939 " --> pdb=" O SERSP 935 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N LEUSP 940 " --> pdb=" O LYSSP 936 " (cutoff:3.500A) removed outlier: 4.244A pdb=" N LEUSP 946 " --> pdb=" O LEUSP 942 " (cutoff:3.500A) removed outlier: 4.447A pdb=" N HISSP 947 " --> pdb=" O GLNSP 943 " (cutoff:3.500A) removed outlier: 6.086A pdb=" N GLNSP 948 " --> pdb=" O LEUSP 944 " (cutoff:3.500A) Processing helix chain 'SP' and resid 949 through 964 removed outlier: 3.530A pdb=" N CYSSP 959 " --> pdb=" O ILESP 955 " (cutoff:3.500A) removed outlier: 4.095A pdb=" N TYRSP 963 " --> pdb=" O CYSSP 959 " (cutoff:3.500A) removed outlier: 4.887A pdb=" N LYSSP 964 " --> pdb=" O ILESP 960 " (cutoff:3.500A) Processing helix chain 'SP' and resid 965 through 973 Proline residue: SP 970 - end of helix removed outlier: 5.335A pdb=" N GLUSP 973 " --> pdb=" O LEUSP 969 " (cutoff:3.500A) Processing helix chain 'SP' and resid 974 through 981 removed outlier: 5.388A pdb=" N ASPSP 981 " --> pdb=" O ARGSP 977 " (cutoff:3.500A) Processing helix chain 'SP' and resid 983 through 991 removed outlier: 3.520A pdb=" N GLUSP 987 " --> pdb=" O SERSP 983 " (cutoff:3.500A) removed outlier: 4.023A pdb=" N VALSP 989 " --> pdb=" O LYSSP 985 " (cutoff:3.500A) Processing helix chain 'SP' and resid 1001 through 1006 removed outlier: 4.734A pdb=" N ALASP1006 " --> pdb=" O THRSP1002 " (cutoff:3.500A) Processing helix chain 'SP' and resid 1007 through 1023 removed outlier: 4.225A pdb=" N ILESP1011 " --> pdb=" O ASPSP1007 " (cutoff:3.500A) removed outlier: 3.579A pdb=" N ARGSP1014 " --> pdb=" O PROSP1010 " (cutoff:3.500A) Processing helix chain 'SP' and resid 1030 through 1047 removed outlier: 3.840A pdb=" N SERSP1034 " --> pdb=" O GLYSP1030 " (cutoff:3.500A) removed outlier: 5.072A pdb=" N GLYSP1035 " --> pdb=" O LYSSP1031 " (cutoff:3.500A) removed outlier: 5.278A pdb=" N THRSP1036 " --> pdb=" O SERSP1032 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N VALSP1041 " --> pdb=" O ARGSP1037 " (cutoff:3.500A) removed outlier: 4.740A pdb=" N GLYSP1047 " --> pdb=" O ARGSP1043 " (cutoff:3.500A) Processing helix chain 'SP' and resid 1049 through 1062 removed outlier: 3.585A pdb=" N GLNSP1054 " --> pdb=" O PROSP1050 " (cutoff:3.500A) removed outlier: 4.520A pdb=" N ILESP1055 " --> pdb=" O GLUSP1051 " (cutoff:3.500A) removed outlier: 4.487A pdb=" N PHESP1056 " --> pdb=" O GLUSP1052 " (cutoff:3.500A) Processing helix chain 'SP' and resid 1064 through 1069 removed outlier: 3.965A pdb=" N LYSSP1068 " --> pdb=" O VALSP1064 " (cutoff:3.500A) removed outlier: 3.750A pdb=" N ASNSP1069 " --> pdb=" O ARGSP1065 " (cutoff:3.500A) No H-bonds generated for 'chain 'SP' and resid 1064 through 1069' Processing helix chain 'SP' and resid 1071 through 1083 removed outlier: 3.728A pdb=" N LEUSP1083 " --> pdb=" O ALASP1079 " (cutoff:3.500A) Processing helix chain 'SP' and resid 1090 through 1108 removed outlier: 3.552A pdb=" N ILESP1103 " --> pdb=" O ASNSP1099 " (cutoff:3.500A) Processing helix chain 'SP' and resid 1115 through 1141 removed outlier: 3.526A pdb=" N THRSP1127 " --> pdb=" O LEUSP1123 " (cutoff:3.500A) removed outlier: 3.754A pdb=" N ARGSP1137 " --> pdb=" O ILESP1133 " (cutoff:3.500A) removed outlier: 6.851A pdb=" N GLUSP1138 " --> pdb=" O LEUSP1134 " (cutoff:3.500A) removed outlier: 7.052A pdb=" N LYSSP1139 " --> pdb=" O ASPSP1135 " (cutoff:3.500A) removed outlier: 3.976A pdb=" N ILESP1140 " --> pdb=" O GLNSP1136 " (cutoff:3.500A) removed outlier: 5.301A pdb=" N GLNSP1141 " --> pdb=" O ARGSP1137 " (cutoff:3.500A) Processing helix chain 'SP' and resid 1142 through 1167 removed outlier: 4.428A pdb=" N ASNSP1146 " --> pdb=" O LEUSP1142 " (cutoff:3.500A) Proline residue: SP1147 - end of helix removed outlier: 4.368A pdb=" N TRPSP1166 " --> pdb=" O ILESP1162 " (cutoff:3.500A) removed outlier: 5.548A pdb=" N GLUSP1167 " --> pdb=" O PHESP1163 " (cutoff:3.500A) Processing helix chain 'SP' and resid 1172 through 1188 removed outlier: 3.550A pdb=" N PHESP1180 " --> pdb=" O ILESP1176 " (cutoff:3.500A) removed outlier: 3.585A pdb=" N VALSP1184 " --> pdb=" O PHESP1180 " (cutoff:3.500A) removed outlier: 4.900A pdb=" N TRPSP1185 " --> pdb=" O HISSP1181 " (cutoff:3.500A) Proline residue: SP1186 - end of helix Processing helix chain 'SP' and resid 1190 through 1195 removed outlier: 3.722A pdb=" N GLUSP1194 " --> pdb=" O ARGSP1190 " (cutoff:3.500A) Processing helix chain 'SP' and resid 1200 through 1213 removed outlier: 3.770A pdb=" N ASNSP1212 " --> pdb=" O ILESP1208 " (cutoff:3.500A) removed outlier: 5.132A pdb=" N ALASP1213 " --> pdb=" O TRPSP1209 " (cutoff:3.500A) Processing helix chain 'SP' and resid 1214 through 1222 removed outlier: 5.322A pdb=" N LEUSP1218 " --> pdb=" O ARGSP1214 " (cutoff:3.500A) removed outlier: 3.644A pdb=" N LEUSP1219 " --> pdb=" O TYRSP1215 " (cutoff:3.500A) removed outlier: 5.834A pdb=" N GLNSP1222 " --> pdb=" O LEUSP1218 " (cutoff:3.500A) Processing helix chain 'SP' and resid 1230 through 1241 removed outlier: 4.368A pdb=" N LEUSP1239 " --> pdb=" O VALSP1235 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N SERSP1240 " --> pdb=" O PHESP1236 " (cutoff:3.500A) removed outlier: 4.496A pdb=" N ALASP1241 " --> pdb=" O ALASP1237 " (cutoff:3.500A) Processing helix chain 'SP' and resid 1245 through 1262 removed outlier: 3.696A pdb=" N LEUSP1262 " --> pdb=" O ASPSP1258 " (cutoff:3.500A) Processing helix chain 'SP' and resid 1293 through 1301 Proline residue: SP1301 - end of helix Processing helix chain 'SP' and resid 1302 through 1313 removed outlier: 3.897A pdb=" N ILESP1306 " --> pdb=" O HISSP1302 " (cutoff:3.500A) Processing helix chain 'SP' and resid 1325 through 1343 removed outlier: 3.733A pdb=" N ILESP1335 " --> pdb=" O LYSSP1331 " (cutoff:3.500A) removed outlier: 4.006A pdb=" N LYSSP1338 " --> pdb=" O GLYSP1334 " (cutoff:3.500A) removed outlier: 3.671A pdb=" N LYSSP1341 " --> pdb=" O SERSP1337 " (cutoff:3.500A) removed outlier: 3.619A pdb=" N METSP1343 " --> pdb=" O ILESP1339 " (cutoff:3.500A) Processing helix chain 'SP' and resid 1345 through 1363 removed outlier: 3.519A pdb=" N SERSP1349 " --> pdb=" O ASPSP1345 " (cutoff:3.500A) Proline residue: SP1358 - end of helix removed outlier: 4.114A pdb=" N GLYSP1363 " --> pdb=" O PHESP1359 " (cutoff:3.500A) Processing helix chain 'SP' and resid 1366 through 1384 removed outlier: 3.840A pdb=" N ASPSP1372 " --> pdb=" O ASPSP1368 " (cutoff:3.500A) removed outlier: 4.074A pdb=" N LYSSP1382 " --> pdb=" O GLNSP1378 " (cutoff:3.500A) removed outlier: 4.443A pdb=" N HISSP1383 " --> pdb=" O ASNSP1379 " (cutoff:3.500A) Processing helix chain 'SP' and resid 1386 through 1401 removed outlier: 4.320A pdb=" N PHESP1390 " --> pdb=" O ASPSP1386 " (cutoff:3.500A) removed outlier: 3.520A pdb=" N LEUSP1391 " --> pdb=" O PROSP1387 " (cutoff:3.500A) removed outlier: 4.813A pdb=" N LYSSP1392 " --> pdb=" O THRSP1388 " (cutoff:3.500A) Proline residue: SP1393 - end of helix removed outlier: 3.803A pdb=" N PHESP1398 " --> pdb=" O ILESP1394 " (cutoff:3.500A) removed outlier: 4.993A pdb=" N SERSP1399 " --> pdb=" O ALASP1395 " (cutoff:3.500A) removed outlier: 4.008A pdb=" N VALSP1400 " --> pdb=" O LYSSP1396 " (cutoff:3.500A) Processing helix chain 'SP' and resid 1403 through 1422 removed outlier: 4.144A pdb=" N LYSSP1408 " --> pdb=" O LYSSP1404 " (cutoff:3.500A) removed outlier: 3.704A pdb=" N LEUSP1409 " --> pdb=" O LEUSP1405 " (cutoff:3.500A) removed outlier: 3.886A pdb=" N SERSP1418 " --> pdb=" O PHESP1414 " (cutoff:3.500A) removed outlier: 3.540A pdb=" N ASPSP1419 " --> pdb=" O GLUSP1415 " (cutoff:3.500A) Processing helix chain 'SP' and resid 1424 through 1435 removed outlier: 4.945A pdb=" N THRSP1428 " --> pdb=" O LEUSP1424 " (cutoff:3.500A) removed outlier: 3.566A pdb=" N ASPSP1429 " --> pdb=" O LYSSP1425 " (cutoff:3.500A) removed outlier: 3.980A pdb=" N VALSP1430 " --> pdb=" O TYRSP1426 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N VALSP1431 " --> pdb=" O ILESP1427 " (cutoff:3.500A) removed outlier: 4.030A pdb=" N LYSSP1432 " --> pdb=" O THRSP1428 " (cutoff:3.500A) removed outlier: 4.419A pdb=" N LEUSP1433 " --> pdb=" O ASPSP1429 " (cutoff:3.500A) removed outlier: 4.643A pdb=" N ASNSP1434 " --> pdb=" O VALSP1430 " (cutoff:3.500A) removed outlier: 4.920A pdb=" N ALASP1435 " --> pdb=" O VALSP1431 " (cutoff:3.500A) No H-bonds generated for 'chain 'SP' and resid 1424 through 1435' Processing helix chain 'SP' and resid 1446 through 1463 removed outlier: 3.812A pdb=" N GLUSP1462 " --> pdb=" O SERSP1458 " (cutoff:3.500A) Processing helix chain 'SP' and resid 1467 through 1485 Proline residue: SP1473 - end of helix removed outlier: 3.554A pdb=" N LEUSP1482 " --> pdb=" O CYSSP1478 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N GLUSP1483 " --> pdb=" O PHESP1479 " (cutoff:3.500A) removed outlier: 3.828A pdb=" N LEUSP1484 " --> pdb=" O TYRSP1480 " (cutoff:3.500A) removed outlier: 4.685A pdb=" N GLYSP1485 " --> pdb=" O ASNSP1481 " (cutoff:3.500A) Processing helix chain 'SP' and resid 1486 through 1508 removed outlier: 3.578A pdb=" N ASNSP1492 " --> pdb=" O SERSP1488 " (cutoff:3.500A) removed outlier: 3.561A pdb=" N ALASP1505 " --> pdb=" O ILESP1501 " (cutoff:3.500A) Processing helix chain 'SP' and resid 1510 through 1518 Processing helix chain 'SP' and resid 1521 through 1532 removed outlier: 3.800A pdb=" N LYSSP1528 " --> pdb=" O GLUSP1524 " (cutoff:3.500A) Processing helix chain 'SP' and resid 1534 through 1552 removed outlier: 3.543A pdb=" N CYSSP1547 " --> pdb=" O THRSP1543 " (cutoff:3.500A) Processing helix chain 'SP' and resid 1558 through 1566 removed outlier: 3.646A pdb=" N VALSP1562 " --> pdb=" O PHESP1558 " (cutoff:3.500A) removed outlier: 4.862A pdb=" N GLNSP1563 " --> pdb=" O LYSSP1559 " (cutoff:3.500A) removed outlier: 4.950A pdb=" N LEUSP1564 " --> pdb=" O ASPSP1560 " (cutoff:3.500A) removed outlier: 3.998A pdb=" N THRSP1565 " --> pdb=" O LEUSP1561 " (cutoff:3.500A) removed outlier: 5.197A pdb=" N HISSP1566 " --> pdb=" O VALSP1562 " (cutoff:3.500A) No H-bonds generated for 'chain 'SP' and resid 1558 through 1566' Processing helix chain 'SP' and resid 1569 through 1574 removed outlier: 3.508A pdb=" N ASPSP1573 " --> pdb=" O ASPSP1569 " (cutoff:3.500A) removed outlier: 5.032A pdb=" N PHESP1574 " --> pdb=" O PROSP1570 " (cutoff:3.500A) No H-bonds generated for 'chain 'SP' and resid 1569 through 1574' Processing helix chain 'SP' and resid 1575 through 1580 removed outlier: 3.945A pdb=" N HISSP1580 " --> pdb=" O GLUSP1576 " (cutoff:3.500A) Processing helix chain 'SP' and resid 1582 through 1600 removed outlier: 3.852A pdb=" N ARGSP1586 " --> pdb=" O GLNSP1582 " (cutoff:3.500A) Processing helix chain 'SP' and resid 1605 through 1612 Processing helix chain 'SP' and resid 1613 through 1623 removed outlier: 3.829A pdb=" N ALASP1617 " --> pdb=" O ILESP1613 " (cutoff:3.500A) removed outlier: 3.555A pdb=" N THRSP1619 " --> pdb=" O PROSP1615 " (cutoff:3.500A) Proline residue: SP1620 - end of helix removed outlier: 4.018A pdb=" N ASPSP1623 " --> pdb=" O THRSP1619 " (cutoff:3.500A) Processing helix chain 'SP' and resid 1624 through 1630 removed outlier: 3.564A pdb=" N LYSSP1628 " --> pdb=" O GLUSP1624 " (cutoff:3.500A) removed outlier: 4.593A pdb=" N HISSP1629 " --> pdb=" O LYSSP1625 " (cutoff:3.500A) removed outlier: 5.022A pdb=" N GLUSP1630 " --> pdb=" O METSP1626 " (cutoff:3.500A) No H-bonds generated for 'chain 'SP' and resid 1624 through 1630' Processing helix chain 'SP' and resid 1631 through 1648 removed outlier: 3.746A pdb=" N HISSP1646 " --> pdb=" O ALASP1642 " (cutoff:3.500A) removed outlier: 5.852A pdb=" N SERSP1648 " --> pdb=" O CYSSP1644 " (cutoff:3.500A) Processing helix chain 'SP' and resid 1649 through 1666 removed outlier: 3.767A pdb=" N TYRSP1654 " --> pdb=" O SERSP1650 " (cutoff:3.500A) Processing helix chain 'SP' and resid 1669 through 1684 removed outlier: 3.657A pdb=" N VALSP1674 " --> pdb=" O GLNSP1670 " (cutoff:3.500A) removed outlier: 3.543A pdb=" N PHESP1684 " --> pdb=" O VALSP1680 " (cutoff:3.500A) Processing helix chain 'SP' and resid 1772 through 1797 removed outlier: 3.720A pdb=" N ILESP1783 " --> pdb=" O ILESP1779 " (cutoff:3.500A) removed outlier: 4.400A pdb=" N LEUSP1788 " --> pdb=" O THRSP1784 " (cutoff:3.500A) Proline residue: SP1789 - end of helix removed outlier: 3.941A pdb=" N LYSSP1793 " --> pdb=" O PROSP1789 " (cutoff:3.500A) removed outlier: 4.449A pdb=" N CYSSP1794 " --> pdb=" O ARGSP1790 " (cutoff:3.500A) removed outlier: 4.732A pdb=" N LEUSP1795 " --> pdb=" O LEUSP1791 " (cutoff:3.500A) removed outlier: 4.039A pdb=" N ALASP1796 " --> pdb=" O HISSP1792 " (cutoff:3.500A) removed outlier: 3.965A pdb=" N SERSP1797 " --> pdb=" O LYSSP1793 " (cutoff:3.500A) Processing helix chain 'SP' and resid 1815 through 1833 removed outlier: 3.920A pdb=" N ARGSP1820 " --> pdb=" O GLUSP1816 " (cutoff:3.500A) removed outlier: 4.200A pdb=" N VALSP1821 " --> pdb=" O GLUSP1817 " (cutoff:3.500A) Proline residue: SP1822 - end of helix removed outlier: 4.376A pdb=" N PHESP1825 " --> pdb=" O VALSP1821 " (cutoff:3.500A) removed outlier: 3.901A pdb=" N ALASP1826 " --> pdb=" O PROSP1822 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N VALSP1828 " --> pdb=" O ALASP1824 " (cutoff:3.500A) removed outlier: 3.654A pdb=" N GLNSP1832 " --> pdb=" O VALSP1828 " (cutoff:3.500A) removed outlier: 4.906A pdb=" N SERSP1833 " --> pdb=" O LYSSP1829 " (cutoff:3.500A) Processing helix chain 'SP' and resid 1835 through 1856 Proline residue: SP1844 - end of helix removed outlier: 3.904A pdb=" N LYSSP1849 " --> pdb=" O SERSP1845 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N LEUSP1854 " --> pdb=" O VALSP1850 " (cutoff:3.500A) removed outlier: 3.582A pdb=" N LYSSP1855 " --> pdb=" O CYSSP1851 " (cutoff:3.500A) removed outlier: 3.768A pdb=" N ASNSP1856 " --> pdb=" O ALASP1852 " (cutoff:3.500A) Processing helix chain 'SP' and resid 1858 through 1877 removed outlier: 3.533A pdb=" N ASPSP1875 " --> pdb=" O LYSSP1871 " (cutoff:3.500A) Processing helix chain 'SP' and resid 1878 through 1893 removed outlier: 4.864A pdb=" N LEUSP1882 " --> pdb=" O VALSP1878 " (cutoff:3.500A) removed outlier: 5.416A pdb=" N TYRSP1883 " --> pdb=" O HISSP1879 " (cutoff:3.500A) removed outlier: 3.598A pdb=" N VALSP1884 " --> pdb=" O PHESP1880 " (cutoff:3.500A) removed outlier: 3.722A pdb=" N THRSP1890 " --> pdb=" O LYSSP1886 " (cutoff:3.500A) removed outlier: 4.780A pdb=" N VALSP1893 " --> pdb=" O GLNSP1889 " (cutoff:3.500A) Processing helix chain 'SP' and resid 1895 through 1914 removed outlier: 4.283A pdb=" N HISSP1899 " --> pdb=" O GLYSP1895 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N METSP1907 " --> pdb=" O PHESP1903 " (cutoff:3.500A) removed outlier: 3.550A pdb=" N LEUSP1912 " --> pdb=" O LEUSP1908 " (cutoff:3.500A) removed outlier: 4.955A pdb=" N ASNSP1914 " --> pdb=" O GLNSP1910 " (cutoff:3.500A) Processing helix chain 'SP' and resid 1921 through 1937 removed outlier: 5.048A pdb=" N ASPSP1926 " --> pdb=" O ASPSP1922 " (cutoff:3.500A) removed outlier: 5.544A pdb=" N ILESP1927 " --> pdb=" O SERSP1923 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N METSP1928 " --> pdb=" O CYSSP1924 " (cutoff:3.500A) Processing helix chain 'SP' and resid 1960 through 1972 removed outlier: 3.591A pdb=" N GLUSP1966 " --> pdb=" O TYRSP1962 " (cutoff:3.500A) removed outlier: 3.677A pdb=" N LYSSP1970 " --> pdb=" O GLUSP1966 " (cutoff:3.500A) Processing helix chain 'SP' and resid 1973 through 1991 removed outlier: 3.559A pdb=" N VALSP1977 " --> pdb=" O GLYSP1973 " (cutoff:3.500A) removed outlier: 4.837A pdb=" N THRSP1978 " --> pdb=" O LYSSP1974 " (cutoff:3.500A) removed outlier: 4.912A pdb=" N LYSSP1979 " --> pdb=" O ASPSP1975 " (cutoff:3.500A) Proline residue: SP1983 - end of helix removed outlier: 3.542A pdb=" N ASNSP1990 " --> pdb=" O GLUSP1986 " (cutoff:3.500A) Processing helix chain 'SP' and resid 1993 through 2015 removed outlier: 3.989A pdb=" N VALSP2013 " --> pdb=" O VALSP2009 " (cutoff:3.500A) removed outlier: 3.551A pdb=" N ASNSP2014 " --> pdb=" O GLYSP2010 " (cutoff:3.500A) removed outlier: 5.624A pdb=" N GLNSP2015 " --> pdb=" O LEUSP2011 " (cutoff:3.500A) Processing helix chain 'SP' and resid 2018 through 2032 Processing helix chain 'SP' and resid 2079 through 2098 removed outlier: 4.638A pdb=" N PHESP2083 " --> pdb=" O ASNSP2079 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N ILESP2084 " --> pdb=" O METSP2080 " (cutoff:3.500A) removed outlier: 3.695A pdb=" N SERSP2098 " --> pdb=" O SERSP2094 " (cutoff:3.500A) Processing helix chain 'SP' and resid 2106 through 2125 Proline residue: SP2113 - end of helix removed outlier: 4.816A pdb=" N SERSP2116 " --> pdb=" O ASPSP2112 " (cutoff:3.500A) removed outlier: 3.575A pdb=" N ASPSP2120 " --> pdb=" O SERSP2116 " (cutoff:3.500A) removed outlier: 3.624A pdb=" N CYSSP2121 " --> pdb=" O LEUSP2117 " (cutoff:3.500A) removed outlier: 3.610A pdb=" N LEUSP2122 " --> pdb=" O LEUSP2118 " (cutoff:3.500A) removed outlier: 4.161A pdb=" N GLYSP2123 " --> pdb=" O ILESP2119 " (cutoff:3.500A) removed outlier: 3.724A pdb=" N SERSP2124 " --> pdb=" O ASPSP2120 " (cutoff:3.500A) removed outlier: 5.981A pdb=" N METSP2125 " --> pdb=" O CYSSP2121 " (cutoff:3.500A) Processing helix chain 'SP' and resid 2126 through 2141 removed outlier: 4.067A pdb=" N TRPSP2139 " --> pdb=" O GLNSP2135 " (cutoff:3.500A) Processing helix chain 'SP' and resid 2145 through 2152 removed outlier: 4.887A pdb=" N GLUSP2149 " --> pdb=" O LEUSP2145 " (cutoff:3.500A) removed outlier: 3.839A pdb=" N THRSP2150 " --> pdb=" O PROSP2146 " (cutoff:3.500A) Processing helix chain 'SP' and resid 2153 through 2166 removed outlier: 3.596A pdb=" N LYSSP2157 " --> pdb=" O GLUSP2153 " (cutoff:3.500A) Processing helix chain 'SP' and resid 2174 through 2194 removed outlier: 4.458A pdb=" N HISSP2178 " --> pdb=" O GLYSP2174 " (cutoff:3.500A) removed outlier: 4.180A pdb=" N LEUSP2179 " --> pdb=" O GLNSP2175 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N LYSSP2185 " --> pdb=" O VALSP2181 " (cutoff:3.500A) removed outlier: 3.536A pdb=" N LYSSP2193 " --> pdb=" O ILESP2189 " (cutoff:3.500A) removed outlier: 5.190A pdb=" N VALSP2194 " --> pdb=" O LEUSP2190 " (cutoff:3.500A) Processing helix chain 'SP' and resid 2200 through 2217 removed outlier: 3.548A pdb=" N TYRSP2216 " --> pdb=" O GLUSP2212 " (cutoff:3.500A) removed outlier: 3.972A pdb=" N ASPSP2217 " --> pdb=" O GLUSP2213 " (cutoff:3.500A) Processing helix chain 'SP' and resid 2224 through 2235 Processing helix chain 'SP' and resid 36 through 41 removed outlier: 3.914A pdb=" N SERSP 39 " --> pdb=" O ARGSP 36 " (cutoff:3.500A) removed outlier: 5.805A pdb=" N TYRSP 40 " --> pdb=" O THRSP 37 " (cutoff:3.500A) Processing helix chain 'LR' and resid 452 through 457 Processing helix chain 'LR' and resid 635 through 664 removed outlier: 3.734A pdb=" N VALLR 651 " --> pdb=" O GLNLR 647 " (cutoff:3.500A) Processing helix chain 'LR' and resid 666 through 677 removed outlier: 4.263A pdb=" N GLYLR 671 " --> pdb=" O LEULR 667 " (cutoff:3.500A) removed outlier: 3.942A pdb=" N LEULR 672 " --> pdb=" O ARGLR 668 " (cutoff:3.500A) removed outlier: 3.529A pdb=" N ILELR 674 " --> pdb=" O LEULR 670 " (cutoff:3.500A) Processing helix chain 'LR' and resid 678 through 693 Proline residue: LR 693 - end of helix Processing helix chain 'LR' and resid 694 through 703 removed outlier: 3.749A pdb=" N LYSLR 698 " --> pdb=" O GLULR 694 " (cutoff:3.500A) removed outlier: 4.761A pdb=" N GLULR 700 " --> pdb=" O CYSLR 696 " (cutoff:3.500A) removed outlier: 4.632A pdb=" N ALALR 701 " --> pdb=" O GLULR 697 " (cutoff:3.500A) Processing helix chain 'LR' and resid 707 through 722 removed outlier: 3.685A pdb=" N VALLR 719 " --> pdb=" O LEULR 715 " (cutoff:3.500A) removed outlier: 4.129A pdb=" N THRLR 720 " --> pdb=" O ARGLR 716 " (cutoff:3.500A) Processing helix chain 'LR' and resid 724 through 741 removed outlier: 5.097A pdb=" N HISLR 729 " --> pdb=" O SERLR 725 " (cutoff:3.500A) removed outlier: 6.057A pdb=" N GLULR 730 " --> pdb=" O ARGLR 726 " (cutoff:3.500A) removed outlier: 3.573A pdb=" N VALLR 737 " --> pdb=" O ALALR 733 " (cutoff:3.500A) Processing helix chain 'LR' and resid 743 through 750 removed outlier: 3.551A pdb=" N ALALR 749 " --> pdb=" O GLULR 745 " (cutoff:3.500A) removed outlier: 3.582A pdb=" N TYRLR 750 " --> pdb=" O GLULR 746 " (cutoff:3.500A) Processing helix chain 'LR' and resid 757 through 788 removed outlier: 3.678A pdb=" N LEULR 761 " --> pdb=" O LEULR 757 " (cutoff:3.500A) Proline residue: LR 762 - end of helix removed outlier: 4.468A pdb=" N PHELR 780 " --> pdb=" O GLNLR 776 " (cutoff:3.500A) removed outlier: 4.732A pdb=" N LEULR 781 " --> pdb=" O ALALR 777 " (cutoff:3.500A) removed outlier: 4.560A pdb=" N ASPLR 782 " --> pdb=" O ALALR 778 " (cutoff:3.500A) removed outlier: 3.530A pdb=" N PHELR 783 " --> pdb=" O ALALR 779 " (cutoff:3.500A) Processing helix chain 'LM' and resid 2 through 12 Processing helix chain 'LM' and resid 17 through 23 removed outlier: 4.120A pdb=" N LEULM 21 " --> pdb=" O ASPLM 17 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N SERLM 22 " --> pdb=" O ALALM 18 " (cutoff:3.500A) removed outlier: 5.089A pdb=" N ARGLM 23 " --> pdb=" O SERLM 19 " (cutoff:3.500A) No H-bonds generated for 'chain 'LM' and resid 17 through 23' Processing helix chain 'LM' and resid 32 through 39 removed outlier: 4.157A pdb=" N THRLM 38 " --> pdb=" O LYSLM 34 " (cutoff:3.500A) removed outlier: 4.264A pdb=" N ILELM 39 " --> pdb=" O GLULM 35 " (cutoff:3.500A) Processing helix chain 'LM' and resid 40 through 59 removed outlier: 3.757A pdb=" N GLYLM 57 " --> pdb=" O GLULM 53 " (cutoff:3.500A) removed outlier: 3.804A pdb=" N ILELM 58 " --> pdb=" O GLULM 54 " (cutoff:3.500A) Processing helix chain 'LM' and resid 62 through 67 removed outlier: 4.010A pdb=" N GLULM 66 " --> pdb=" O PHELM 62 " (cutoff:3.500A) removed outlier: 4.576A pdb=" N ALALM 67 " --> pdb=" O GLULM 63 " (cutoff:3.500A) No H-bonds generated for 'chain 'LM' and resid 62 through 67' Processing helix chain 'LM' and resid 71 through 77 Processing helix chain 'LM' and resid 78 through 83 removed outlier: 4.247A pdb=" N GLNLM 82 " --> pdb=" O GLULM 78 " (cutoff:3.500A) removed outlier: 5.284A pdb=" N THRLM 83 " --> pdb=" O ARGLM 79 " (cutoff:3.500A) No H-bonds generated for 'chain 'LM' and resid 78 through 83' Processing helix chain 'LM' and resid 84 through 102 Processing helix chain 'LM' and resid 107 through 121 Processing helix chain 'LM' and resid 122 through 127 Processing helix chain 'LM' and resid 128 through 136 Processing helix chain 'LM' and resid 141 through 152 removed outlier: 3.597A pdb=" N VALLM 145 " --> pdb=" O THRLM 141 " (cutoff:3.500A) removed outlier: 3.842A pdb=" N LEULM 151 " --> pdb=" O VALLM 147 " (cutoff:3.500A) removed outlier: 5.248A pdb=" N LYSLM 152 " --> pdb=" O ILELM 148 " (cutoff:3.500A) Processing helix chain 'LM' and resid 160 through 170 removed outlier: 4.168A pdb=" N LEULM 164 " --> pdb=" O TRPLM 160 " (cutoff:3.500A) Proline residue: LM 165 - end of helix Processing helix chain 'LM' and resid 174 through 185 Processing helix chain 'LM' and resid 186 through 205 removed outlier: 4.480A pdb=" N GLULM 205 " --> pdb=" O LYSLM 201 " (cutoff:3.500A) Processing helix chain 'LM' and resid 209 through 232 removed outlier: 4.380A pdb=" N LEULM 213 " --> pdb=" O SERLM 209 " (cutoff:3.500A) removed outlier: 3.941A pdb=" N ARGLM 214 " --> pdb=" O SERLM 210 " (cutoff:3.500A) removed outlier: 4.906A pdb=" N VALLM 215 " --> pdb=" O ALALM 211 " (cutoff:3.500A) removed outlier: 5.251A pdb=" N LEULM 216 " --> pdb=" O GLNLM 212 " (cutoff:3.500A) removed outlier: 3.928A pdb=" N ILELM 224 " --> pdb=" O TYRLM 220 " (cutoff:3.500A) removed outlier: 3.832A pdb=" N VALLM 225 " --> pdb=" O ALALM 221 " (cutoff:3.500A) removed outlier: 6.205A pdb=" N GLULM 232 " --> pdb=" O LEULM 228 " (cutoff:3.500A) Processing helix chain 'LM' and resid 235 through 253 removed outlier: 3.688A pdb=" N ILELM 239 " --> pdb=" O SERLM 235 " (cutoff:3.500A) Proline residue: LM 244 - end of helix removed outlier: 5.493A pdb=" N SERLM 253 " --> pdb=" O GLYLM 249 " (cutoff:3.500A) Processing helix chain 'LM' and resid 254 through 272 Processing helix chain 'LM' and resid 275 through 290 removed outlier: 3.535A pdb=" N THRLM 289 " --> pdb=" O GLNLM 285 " (cutoff:3.500A) removed outlier: 3.803A pdb=" N LEULM 290 " --> pdb=" O ILELM 286 " (cutoff:3.500A) Processing helix chain 'LM' and resid 296 through 311 removed outlier: 4.088A pdb=" N GLNLM 311 " --> pdb=" O LEULM 307 " (cutoff:3.500A) Processing helix chain 'LM' and resid 320 through 327 removed outlier: 3.680A pdb=" N VALLM 327 " --> pdb=" O HISLM 323 " (cutoff:3.500A) Processing helix chain 'LM' and resid 329 through 341 removed outlier: 4.536A pdb=" N THRLM 340 " --> pdb=" O GLYLM 336 " (cutoff:3.500A) Processing helix chain 'LM' and resid 344 through 364 Proline residue: LM 352 - end of helix removed outlier: 3.541A pdb=" N VALLM 356 " --> pdb=" O PROLM 352 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N GLYLM 364 " --> pdb=" O HISLM 360 " (cutoff:3.500A) Processing helix chain 'LM' and resid 368 through 385 removed outlier: 3.756A pdb=" N GLYLM 372 " --> pdb=" O GLULM 368 " (cutoff:3.500A) Processing helix chain 'LM' and resid 391 through 410 removed outlier: 3.595A pdb=" N GLNLM 410 " --> pdb=" O SERLM 406 " (cutoff:3.500A) Processing helix chain 'LM' and resid 414 through 436 Proline residue: LM 427 - end of helix Processing helix chain 'LM' and resid 438 through 455 removed outlier: 4.913A pdb=" N LYSLM 449 " --> pdb=" O GLULM 445 " (cutoff:3.500A) removed outlier: 5.199A pdb=" N GLULM 450 " --> pdb=" O GLULM 446 " (cutoff:3.500A) removed outlier: 4.481A pdb=" N LYSLM 455 " --> pdb=" O ILELM 451 " (cutoff:3.500A) Processing helix chain 'LM' and resid 456 through 468 removed outlier: 3.669A pdb=" N SERLM 467 " --> pdb=" O PHELM 463 " (cutoff:3.500A) removed outlier: 5.402A pdb=" N THRLM 468 " --> pdb=" O VALLM 464 " (cutoff:3.500A) Processing helix chain 'LM' and resid 482 through 489 removed outlier: 4.186A pdb=" N ASNLM 488 " --> pdb=" O METLM 484 " (cutoff:3.500A) Processing helix chain 'LM' and resid 492 through 509 removed outlier: 3.910A pdb=" N ILELM 496 " --> pdb=" O ALALM 492 " (cutoff:3.500A) removed outlier: 4.214A pdb=" N LEULM 497 " --> pdb=" O PROLM 493 " (cutoff:3.500A) removed outlier: 5.265A pdb=" N SERLM 509 " --> pdb=" O ILELM 505 " (cutoff:3.500A) Processing helix chain 'LM' and resid 514 through 528 removed outlier: 3.829A pdb=" N ILELM 518 " --> pdb=" O ASPLM 514 " (cutoff:3.500A) removed outlier: 4.341A pdb=" N GLYLM 527 " --> pdb=" O LEULM 523 " (cutoff:3.500A) removed outlier: 4.325A pdb=" N ASPLM 528 " --> pdb=" O ALALM 524 " (cutoff:3.500A) Processing helix chain 'LM' and resid 530 through 545 Processing helix chain 'LM' and resid 549 through 564 removed outlier: 3.777A pdb=" N PHELM 561 " --> pdb=" O LEULM 557 " (cutoff:3.500A) Processing helix chain 'LM' and resid 569 through 584 removed outlier: 4.866A pdb=" N TYRLM 573 " --> pdb=" O ASNLM 569 " (cutoff:3.500A) removed outlier: 3.981A pdb=" N GLULM 574 " --> pdb=" O GLYLM 570 " (cutoff:3.500A) Processing helix chain 'LM' and resid 585 through 593 removed outlier: 4.412A pdb=" N ASNLM 592 " --> pdb=" O ILELM 588 " (cutoff:3.500A) removed outlier: 4.675A pdb=" N ASPLM 593 " --> pdb=" O LEULM 589 " (cutoff:3.500A) Processing helix chain 'LM' and resid 594 through 608 Proline residue: LM 605 - end of helix removed outlier: 3.515A pdb=" N VALLM 608 " --> pdb=" O LEULM 604 " (cutoff:3.500A) Processing helix chain 'LM' and resid 616 through 629 removed outlier: 4.104A pdb=" N GLYLM 629 " --> pdb=" O LEULM 625 " (cutoff:3.500A) Processing helix chain 'LM' and resid 630 through 635 Proline residue: LM 635 - end of helix Processing helix chain 'LM' and resid 639 through 651 removed outlier: 3.634A pdb=" N ALALM 643 " --> pdb=" O GLYLM 639 " (cutoff:3.500A) Processing helix chain 'LM' and resid 653 through 675 removed outlier: 3.995A pdb=" N GLYLM 675 " --> pdb=" O ASNLM 671 " (cutoff:3.500A) Processing helix chain 'LM' and resid 676 through 693 removed outlier: 4.940A pdb=" N GLULM 693 " --> pdb=" O SERLM 689 " (cutoff:3.500A) Processing helix chain 'LM' and resid 697 through 716 removed outlier: 3.944A pdb=" N CYSLM 715 " --> pdb=" O LEULM 711 " (cutoff:3.500A) removed outlier: 4.786A pdb=" N SERLM 716 " --> pdb=" O VALLM 712 " (cutoff:3.500A) Processing helix chain 'LM' and resid 722 through 741 Processing helix chain 'LM' and resid 742 through 747 removed outlier: 3.919A pdb=" N ALALM 746 " --> pdb=" O SERLM 742 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N VALLM 747 " --> pdb=" O VALLM 743 " (cutoff:3.500A) No H-bonds generated for 'chain 'LM' and resid 742 through 747' Processing helix chain 'LM' and resid 753 through 758 Processing helix chain 'LM' and resid 764 through 778 Processing helix chain 'LM' and resid 781 through 800 Processing helix chain 'LM' and resid 814 through 819 removed outlier: 5.445A pdb=" N LYSLM 819 " --> pdb=" O PROLM 815 " (cutoff:3.500A) Processing helix chain 'LM' and resid 820 through 840 removed outlier: 3.837A pdb=" N GLYLM 839 " --> pdb=" O METLM 835 " (cutoff:3.500A) removed outlier: 3.889A pdb=" N ALALM 840 " --> pdb=" O METLM 836 " (cutoff:3.500A) Processing helix chain 'LM' and resid 842 through 856 Processing helix chain 'LM' and resid 859 through 874 removed outlier: 4.608A pdb=" N GLYLM 874 " --> pdb=" O LEULM 870 " (cutoff:3.500A) Processing helix chain 'LM' and resid 886 through 904 removed outlier: 3.627A pdb=" N SERLM 902 " --> pdb=" O CYSLM 898 " (cutoff:3.500A) removed outlier: 4.089A pdb=" N SERLM 903 " --> pdb=" O ALALM 899 " (cutoff:3.500A) removed outlier: 3.830A pdb=" N GLNLM 904 " --> pdb=" O METLM 900 " (cutoff:3.500A) Processing helix chain 'LM' and resid 905 through 914 Processing helix chain 'LM' and resid 918 through 930 removed outlier: 3.938A pdb=" N GLYLM 928 " --> pdb=" O LEULM 924 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N SERLM 929 " --> pdb=" O ILELM 925 " (cutoff:3.500A) Proline residue: LM 930 - end of helix Processing helix chain 'LM' and resid 931 through 946 Processing helix chain 'LM' and resid 952 through 963 removed outlier: 4.177A pdb=" N LYSLM 962 " --> pdb=" O HISLM 958 " (cutoff:3.500A) removed outlier: 4.281A pdb=" N ALALM 963 " --> pdb=" O LEULM 959 " (cutoff:3.500A) Processing helix chain 'LM' and resid 964 through 970 removed outlier: 3.739A pdb=" N ASPLM 969 " --> pdb=" O GLULM 965 " (cutoff:3.500A) removed outlier: 4.628A pdb=" N ALALM 970 " --> pdb=" O ILELM 966 " (cutoff:3.500A) Processing helix chain 'LM' and resid 971 through 987 removed outlier: 3.505A pdb=" N ALALM 978 " --> pdb=" O ILELM 974 " (cutoff:3.500A) removed outlier: 4.410A pdb=" N GLULM 983 " --> pdb=" O THRLM 979 " (cutoff:3.500A) removed outlier: 5.772A pdb=" N LEULM 984 " --> pdb=" O LEULM 980 " (cutoff:3.500A) Processing helix chain 'LM' and resid 992 through 1010 removed outlier: 5.133A pdb=" N LEULM 996 " --> pdb=" O SERLM 992 " (cutoff:3.500A) removed outlier: 3.974A pdb=" N CYSLM1006 " --> pdb=" O ASNLM1002 " (cutoff:3.500A) removed outlier: 4.975A pdb=" N VALLM1007 " --> pdb=" O LEULM1003 " (cutoff:3.500A) removed outlier: 4.844A pdb=" N TYRLM1008 " --> pdb=" O LEULM1004 " (cutoff:3.500A) removed outlier: 4.670A pdb=" N SERLM1009 " --> pdb=" O SERLM1005 " (cutoff:3.500A) Processing helix chain 'LM' and resid 1011 through 1023 Processing helix chain 'LM' and resid 1027 through 1048 removed outlier: 3.717A pdb=" N LEULM1031 " --> pdb=" O GLYLM1027 " (cutoff:3.500A) Proline residue: LM1036 - end of helix Processing helix chain 'LM' and resid 1053 through 1073 removed outlier: 3.586A pdb=" N ALALM1057 " --> pdb=" O LEULM1053 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N METLM1058 " --> pdb=" O LYSLM1054 " (cutoff:3.500A) removed outlier: 3.972A pdb=" N TYRLM1067 " --> pdb=" O THRLM1063 " (cutoff:3.500A) removed outlier: 5.929A pdb=" N ASNLM1068 " --> pdb=" O LEULM1064 " (cutoff:3.500A) removed outlier: 7.742A pdb=" N GLULM1069 " --> pdb=" O GLYLM1065 " (cutoff:3.500A) removed outlier: 6.998A pdb=" N PHELM1070 " --> pdb=" O LYSLM1066 " (cutoff:3.500A) removed outlier: 7.164A pdb=" N SERLM1071 " --> pdb=" O TYRLM1067 " (cutoff:3.500A) removed outlier: 3.604A pdb=" N VALLM1072 " --> pdb=" O ASNLM1068 " (cutoff:3.500A) removed outlier: 4.917A pdb=" N SERLM1073 " --> pdb=" O GLULM1069 " (cutoff:3.500A) Processing helix chain 'LM' and resid 1080 through 1092 removed outlier: 5.759A pdb=" N THRLM1092 " --> pdb=" O ALALM1088 " (cutoff:3.500A) Processing helix chain 'LM' and resid 1101 through 1111 removed outlier: 3.650A pdb=" N ILELM1110 " --> pdb=" O ALALM1106 " (cutoff:3.500A) removed outlier: 5.490A pdb=" N THRLM1111 " --> pdb=" O LEULM1107 " (cutoff:3.500A) Processing helix chain 'LM' and resid 1112 through 1118 removed outlier: 4.523A pdb=" N ALALM1117 " --> pdb=" O PROLM1113 " (cutoff:3.500A) removed outlier: 4.805A pdb=" N ILELM1118 " --> pdb=" O PHELM1114 " (cutoff:3.500A) Processing helix chain 'LM' and resid 1120 through 1137 removed outlier: 3.519A pdb=" N GLNLM1124 " --> pdb=" O ASPLM1120 " (cutoff:3.500A) removed outlier: 3.634A pdb=" N LEULM1135 " --> pdb=" O LEULM1131 " (cutoff:3.500A) removed outlier: 3.710A pdb=" N VALLM1136 " --> pdb=" O PHELM1132 " (cutoff:3.500A) Processing helix chain 'LM' and resid 1140 through 1155 removed outlier: 5.400A pdb=" N SERLM1155 " --> pdb=" O PHELM1151 " (cutoff:3.500A) Processing helix chain 'LM' and resid 1157 through 1166 removed outlier: 3.557A pdb=" N VALLM1161 " --> pdb=" O ASNLM1157 " (cutoff:3.500A) Processing helix chain 'LM' and resid 1203 through 1218 removed outlier: 4.319A pdb=" N HISLM1216 " --> pdb=" O GLULM1212 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N LYSLM1217 " --> pdb=" O LEULM1213 " (cutoff:3.500A) removed outlier: 5.381A pdb=" N LYSLM1218 " --> pdb=" O LEULM1214 " (cutoff:3.500A) Processing helix chain 'LM' and resid 1223 through 1240 removed outlier: 3.870A pdb=" N VALLM1227 " --> pdb=" O PROLM1223 " (cutoff:3.500A) Proline residue: LM1228 - end of helix removed outlier: 3.553A pdb=" N PHELM1231 " --> pdb=" O VALLM1227 " (cutoff:3.500A) Proline residue: LM1240 - end of helix Processing helix chain 'LM' and resid 1247 through 1268 removed outlier: 4.673A pdb=" N THRLM1251 " --> pdb=" O ASNLM1247 " (cutoff:3.500A) removed outlier: 3.548A pdb=" N SERLM1267 " --> pdb=" O CYSLM1263 " (cutoff:3.500A) Proline residue: LM1268 - end of helix Processing helix chain 'LM' and resid 1279 through 1295 removed outlier: 3.714A pdb=" N PHELM1283 " --> pdb=" O ASPLM1279 " (cutoff:3.500A) removed outlier: 5.137A pdb=" N ASNLM1284 " --> pdb=" O GLULM1280 " (cutoff:3.500A) removed outlier: 7.216A pdb=" N VALLM1285 " --> pdb=" O GLULM1281 " (cutoff:3.500A) removed outlier: 8.840A pdb=" N GLULM1286 " --> pdb=" O LYSLM1282 " (cutoff:3.500A) removed outlier: 7.450A pdb=" N LEULM1287 " --> pdb=" O PHELM1283 " (cutoff:3.500A) removed outlier: 4.071A pdb=" N ILELM1288 " --> pdb=" O ASNLM1284 " (cutoff:3.500A) Processing helix chain 'LM' and resid 1297 through 1315 removed outlier: 3.538A pdb=" N GLYLM1313 " --> pdb=" O GLYLM1309 " (cutoff:3.500A) Processing helix chain 'LM' and resid 1316 through 1338 Processing helix chain 'LM' and resid 1339 through 1361 removed outlier: 4.092A pdb=" N PHELM1343 " --> pdb=" O ASPLM1339 " (cutoff:3.500A) removed outlier: 3.658A pdb=" N GLNLM1344 " --> pdb=" O THRLM1340 " (cutoff:3.500A) Proline residue: LM1355 - end of helix Processing helix chain 'LM' and resid 1368 through 1390 Proline residue: LM1388 - end of helix Processing helix chain 'LM' and resid 1392 through 1406 Proline residue: LM1397 - end of helix Processing helix chain 'LM' and resid 1411 through 1428 Processing helix chain 'LM' and resid 1438 through 1454 Processing helix chain 'LM' and resid 1457 through 1472 removed outlier: 3.618A pdb=" N GLNLM1461 " --> pdb=" O GLNLM1457 " (cutoff:3.500A) Processing helix chain 'LM' and resid 1507 through 1527 removed outlier: 3.541A pdb=" N SERLM1527 " --> pdb=" O GLNLM1523 " (cutoff:3.500A) Processing helix chain 'LM' and resid 1528 through 1537 Processing helix chain 'LM' and resid 1545 through 1568 removed outlier: 3.706A pdb=" N ARGLM1567 " --> pdb=" O GLNLM1563 " (cutoff:3.500A) removed outlier: 5.251A pdb=" N ASNLM1568 " --> pdb=" O SERLM1564 " (cutoff:3.500A) Processing helix chain 'LM' and resid 1572 through 1595 removed outlier: 3.789A pdb=" N PHELM1576 " --> pdb=" O LEULM1572 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N LEULM1581 " --> pdb=" O TRPLM1577 " (cutoff:3.500A) removed outlier: 3.803A pdb=" N ALALM1593 " --> pdb=" O ASPLM1589 " (cutoff:3.500A) removed outlier: 3.762A pdb=" N LEULM1594 " --> pdb=" O LYSLM1590 " (cutoff:3.500A) Processing helix chain 'LM' and resid 1598 through 1611 Proline residue: LM1602 - end of helix Proline residue: LM1611 - end of helix Processing helix chain 'LM' and resid 1612 through 1630 removed outlier: 3.634A pdb=" N ARGLM1616 " --> pdb=" O LEULM1612 " (cutoff:3.500A) removed outlier: 3.734A pdb=" N GLNLM1629 " --> pdb=" O ASNLM1625 " (cutoff:3.500A) removed outlier: 5.593A pdb=" N ASNLM1630 " --> pdb=" O LYSLM1626 " (cutoff:3.500A) Processing helix chain 'LM' and resid 1634 through 1653 removed outlier: 3.836A pdb=" N LEULM1644 " --> pdb=" O ARGLM1640 " (cutoff:3.500A) removed outlier: 4.284A pdb=" N VALLM1645 " --> pdb=" O PHELM1641 " (cutoff:3.500A) Proline residue: LM1646 - end of helix Processing helix chain 'LM' and resid 1663 through 1681 removed outlier: 3.812A pdb=" N ARGLM1667 " --> pdb=" O GLNLM1663 " (cutoff:3.500A) Processing helix chain 'LM' and resid 1686 through 1702 removed outlier: 4.210A pdb=" N VALLM1690 " --> pdb=" O PROLM1686 " (cutoff:3.500A) Proline residue: LM1691 - end of helix Proline residue: LM1702 - end of helix Processing helix chain 'LM' and resid 1707 through 1726 Processing helix chain 'LM' and resid 1727 through 1733 Proline residue: LM1731 - end of helix No H-bonds generated for 'chain 'LM' and resid 1727 through 1733' Processing helix chain 'LM' and resid 1734 through 1751 Proline residue: LM1738 - end of helix removed outlier: 3.669A pdb=" N VALLM1751 " --> pdb=" O THRLM1747 " (cutoff:3.500A) Processing helix chain 'LM' and resid 1754 through 1771 Processing helix chain 'LM' and resid 1778 through 1797 removed outlier: 3.735A pdb=" N HISLM1788 " --> pdb=" O SERLM1784 " (cutoff:3.500A) removed outlier: 3.573A pdb=" N METLM1796 " --> pdb=" O ILELM1792 " (cutoff:3.500A) removed outlier: 4.586A pdb=" N GLYLM1797 " --> pdb=" O THRLM1793 " (cutoff:3.500A) Processing helix chain 'LM' and resid 1800 through 1816 removed outlier: 3.607A pdb=" N ILELM1804 " --> pdb=" O SERLM1800 " (cutoff:3.500A) Processing helix chain 'LM' and resid 1819 through 1834 Proline residue: LM1824 - end of helix removed outlier: 3.622A pdb=" N GLULM1834 " --> pdb=" O TYRLM1830 " (cutoff:3.500A) Processing helix chain 'LM' and resid 1836 through 1856 removed outlier: 3.996A pdb=" N HISLM1840 " --> pdb=" O ASNLM1836 " (cutoff:3.500A) removed outlier: 4.138A pdb=" N METLM1841 " --> pdb=" O TRPLM1837 " (cutoff:3.500A) removed outlier: 5.671A pdb=" N GLYLM1842 " --> pdb=" O LYSLM1838 " (cutoff:3.500A) Proline residue: LM1843 - end of helix removed outlier: 3.546A pdb=" N SERLM1846 " --> pdb=" O GLYLM1842 " (cutoff:3.500A) removed outlier: 5.108A pdb=" N LYSLM1856 " --> pdb=" O ILELM1852 " (cutoff:3.500A) Processing helix chain 'LM' and resid 1857 through 1866 removed outlier: 5.039A pdb=" N THRLM1861 " --> pdb=" O LYSLM1857 " (cutoff:3.500A) removed outlier: 5.996A pdb=" N SERLM1862 " --> pdb=" O GLULM1858 " (cutoff:3.500A) Processing helix chain 'LM' and resid 1867 through 1876 removed outlier: 3.773A pdb=" N ASPLM1876 " --> pdb=" O LEULM1872 " (cutoff:3.500A) Processing helix chain 'LM' and resid 1889 through 1908 removed outlier: 3.735A pdb=" N GLULM1893 " --> pdb=" O VALLM1889 " (cutoff:3.500A) removed outlier: 4.336A pdb=" N LYSLM1906 " --> pdb=" O ALALM1902 " (cutoff:3.500A) removed outlier: 3.598A pdb=" N LEULM1907 " --> pdb=" O METLM1903 " (cutoff:3.500A) removed outlier: 5.350A pdb=" N SERLM1908 " --> pdb=" O VALLM1904 " (cutoff:3.500A) Processing helix chain 'LM' and resid 1909 through 1924 Proline residue: LM1914 - end of helix Processing helix chain 'LM' and resid 1932 through 1948 Processing helix chain 'LM' and resid 1951 through 1970 removed outlier: 4.975A pdb=" N ALALM1955 " --> pdb=" O PHELM1951 " (cutoff:3.500A) removed outlier: 4.118A pdb=" N HISLM1957 " --> pdb=" O LEULM1953 " (cutoff:3.500A) removed outlier: 4.039A pdb=" N LEULM1958 " --> pdb=" O PHELM1954 " (cutoff:3.500A) removed outlier: 3.778A pdb=" N VALLM1959 " --> pdb=" O ALALM1955 " (cutoff:3.500A) removed outlier: 5.076A pdb=" N LYSLM1960 " --> pdb=" O GLYLM1956 " (cutoff:3.500A) Proline residue: LM1961 - end of helix Processing helix chain 'LM' and resid 1983 through 2006 Processing helix chain 'LM' and resid 2013 through 2030 removed outlier: 3.818A pdb=" N GLULM2017 " --> pdb=" O LYSLM2013 " (cutoff:3.500A) removed outlier: 3.844A pdb=" N METLM2021 " --> pdb=" O GLULM2017 " (cutoff:3.500A) Proline residue: LM2022 - end of helix removed outlier: 5.183A pdb=" N ARGLM2030 " --> pdb=" O GLNLM2026 " (cutoff:3.500A) Processing helix chain 'LM' and resid 2033 through 2055 removed outlier: 4.710A pdb=" N ILELM2046 " --> pdb=" O THRLM2042 " (cutoff:3.500A) Proline residue: LM2047 - end of helix Processing helix chain 'LM' and resid 2059 through 2076 removed outlier: 4.384A pdb=" N LYSLM2063 " --> pdb=" O ASPLM2059 " (cutoff:3.500A) Proline residue: LM2064 - end of helix removed outlier: 3.603A pdb=" N ARGLM2074 " --> pdb=" O LEULM2070 " (cutoff:3.500A) removed outlier: 3.978A pdb=" N ASPLM2075 " --> pdb=" O LEULM2071 " (cutoff:3.500A) removed outlier: 5.947A pdb=" N SERLM2076 " --> pdb=" O LYSLM2072 " (cutoff:3.500A) Processing helix chain 'LM' and resid 2077 through 2096 removed outlier: 3.625A pdb=" N ARGLM2081 " --> pdb=" O SERLM2077 " (cutoff:3.500A) removed outlier: 4.187A pdb=" N LYSLM2096 " --> pdb=" O ALALM2092 " (cutoff:3.500A) Processing helix chain 'LM' and resid 2099 through 2107 Proline residue: LM2104 - end of helix Processing helix chain 'LM' and resid 2108 through 2116 removed outlier: 4.154A pdb=" N GLULM2115 " --> pdb=" O ALALM2111 " (cutoff:3.500A) removed outlier: 4.147A pdb=" N ASPLM2116 " --> pdb=" O GLULM2112 " (cutoff:3.500A) Processing helix chain 'LM' and resid 2118 through 2136 Processing helix chain 'LM' and resid 469 through 474 removed outlier: 6.553A pdb=" N LYSLM 472 " --> pdb=" O SERLM 469 " (cutoff:3.500A) Processing helix chain 'SG' and resid 73 through 98 removed outlier: 3.651A pdb=" N GLUSG 88 " --> pdb=" O LYSSG 84 " (cutoff:3.500A) removed outlier: 3.734A pdb=" N GLNSG 89 " --> pdb=" O LEUSG 85 " (cutoff:3.500A) removed outlier: 3.849A pdb=" N LEUSG 90 " --> pdb=" O TYRSG 86 " (cutoff:3.500A) removed outlier: 3.974A pdb=" N ALASG 98 " --> pdb=" O GLUSG 94 " (cutoff:3.500A) Processing helix chain 'SG' and resid 104 through 121 Processing helix chain 'SG' and resid 135 through 140 removed outlier: 5.347A pdb=" N ARGSG 140 " --> pdb=" O SERSG 136 " (cutoff:3.500A) Processing helix chain 'NI' and resid 71 through 81 removed outlier: 3.897A pdb=" N THRNI 81 " --> pdb=" O ARGNI 77 " (cutoff:3.500A) Processing helix chain 'NI' and resid 125 through 135 removed outlier: 3.759A pdb=" N VALNI 129 " --> pdb=" O LYSNI 125 " (cutoff:3.500A) Processing helix chain 'NI' and resid 151 through 163 removed outlier: 3.533A pdb=" N TRPNI 155 " --> pdb=" O GLYNI 151 " (cutoff:3.500A) removed outlier: 3.788A pdb=" N VALNI 163 " --> pdb=" O TYRNI 159 " (cutoff:3.500A) Processing helix chain 'NI' and resid 165 through 195 removed outlier: 4.541A pdb=" N GLNNI 182 " --> pdb=" O GLUNI 178 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSNI 183 " --> pdb=" O ALANI 179 " (cutoff:3.500A) Processing helix chain 'NI' and resid 218 through 237 removed outlier: 3.522A pdb=" N LYSNI 232 " --> pdb=" O ARGNI 228 " (cutoff:3.500A) removed outlier: 4.565A pdb=" N SERNI 234 " --> pdb=" O ARGNI 230 " (cutoff:3.500A) removed outlier: 5.050A pdb=" N ARGNI 235 " --> pdb=" O ARGNI 231 " (cutoff:3.500A) removed outlier: 3.501A pdb=" N LYSNI 236 " --> pdb=" O LYSNI 232 " (cutoff:3.500A) Processing helix chain 'NI' and resid 242 through 251 removed outlier: 3.782A pdb=" N HISNI 246 " --> pdb=" O TYRNI 242 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N SERNI 249 " --> pdb=" O GLNNI 245 " (cutoff:3.500A) removed outlier: 3.656A pdb=" N METNI 251 " --> pdb=" O ARGNI 247 " (cutoff:3.500A) Processing helix chain 'SW' and resid 81 through 92 removed outlier: 4.655A pdb=" N THRSW 86 " --> pdb=" O ALASW 82 " (cutoff:3.500A) Proline residue: SW 87 - end of helix removed outlier: 3.756A pdb=" N GLUSW 90 " --> pdb=" O THRSW 86 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N ASNSW 91 " --> pdb=" O PROSW 87 " (cutoff:3.500A) Processing helix chain 'SW' and resid 93 through 101 Proline residue: SW 98 - end of helix Processing helix chain 'SW' and resid 127 through 143 removed outlier: 4.727A pdb=" N THRSW 131 " --> pdb=" O VALSW 127 " (cutoff:3.500A) removed outlier: 3.516A pdb=" N PHESW 140 " --> pdb=" O PHESW 136 " (cutoff:3.500A) Processing helix chain 'SW' and resid 145 through 155 removed outlier: 4.223A pdb=" N LEUSW 152 " --> pdb=" O ASPSW 148 " (cutoff:3.500A) removed outlier: 4.274A pdb=" N ILESW 153 " --> pdb=" O ALASW 149 " (cutoff:3.500A) removed outlier: 3.643A pdb=" N ARGSW 154 " --> pdb=" O LEUSW 150 " (cutoff:3.500A) Processing helix chain 'SW' and resid 164 through 170 removed outlier: 4.614A pdb=" N VALSW 168 " --> pdb=" O GLUSW 164 " (cutoff:3.500A) removed outlier: 3.899A pdb=" N LYSSW 169 " --> pdb=" O ILESW 165 " (cutoff:3.500A) Proline residue: SW 170 - end of helix No H-bonds generated for 'chain 'SW' and resid 164 through 170' Processing helix chain 'SW' and resid 173 through 185 Processing helix chain 'SW' and resid 188 through 199 Processing helix chain 'SW' and resid 214 through 231 removed outlier: 3.715A pdb=" N LYSSW 219 " --> pdb=" O PHESW 215 " (cutoff:3.500A) removed outlier: 3.620A pdb=" N METSW 220 " --> pdb=" O GLNSW 216 " (cutoff:3.500A) removed outlier: 3.834A pdb=" N GLYSW 231 " --> pdb=" O ASNSW 227 " (cutoff:3.500A) Processing helix chain 'SW' and resid 233 through 249 removed outlier: 3.502A pdb=" N VALSW 237 " --> pdb=" O PROSW 233 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N GLYSW 239 " --> pdb=" O SERSW 235 " (cutoff:3.500A) removed outlier: 3.798A pdb=" N ARGSW 247 " --> pdb=" O ALASW 243 " (cutoff:3.500A) removed outlier: 4.672A pdb=" N ALASW 249 " --> pdb=" O ALASW 245 " (cutoff:3.500A) Processing helix chain 'ST' and resid 30 through 35 removed outlier: 4.118A pdb=" N VALST 34 " --> pdb=" O ASNST 30 " (cutoff:3.500A) removed outlier: 5.133A pdb=" N LYSST 35 " --> pdb=" O PROST 31 " (cutoff:3.500A) No H-bonds generated for 'chain 'ST' and resid 30 through 35' Processing helix chain 'ST' and resid 54 through 77 removed outlier: 3.571A pdb=" N SERST 58 " --> pdb=" O LEUST 54 " (cutoff:3.500A) removed outlier: 6.678A pdb=" N ARGST 59 " --> pdb=" O PROST 55 " (cutoff:3.500A) removed outlier: 4.278A pdb=" N ALAST 60 " --> pdb=" O GLYST 56 " (cutoff:3.500A) removed outlier: 3.597A pdb=" N GLUST 73 " --> pdb=" O THRST 69 " (cutoff:3.500A) removed outlier: 4.207A pdb=" N GLUST 76 " --> pdb=" O LYSST 72 " (cutoff:3.500A) Processing helix chain 'ST' and resid 274 through 298 removed outlier: 3.563A pdb=" N GLUST 284 " --> pdb=" O LYSST 280 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N HISST 285 " --> pdb=" O GLUST 281 " (cutoff:3.500A) removed outlier: 3.974A pdb=" N LEUST 298 " --> pdb=" O LEUST 294 " (cutoff:3.500A) Processing helix chain 'ST' and resid 467 through 488 removed outlier: 3.505A pdb=" N GLUST 471 " --> pdb=" O LYSST 467 " (cutoff:3.500A) removed outlier: 3.816A pdb=" N LYSST 472 " --> pdb=" O ALAST 468 " (cutoff:3.500A) removed outlier: 3.631A pdb=" N PHEST 474 " --> pdb=" O LEUST 470 " (cutoff:3.500A) removed outlier: 4.100A pdb=" N GLYST 475 " --> pdb=" O GLUST 471 " (cutoff:3.500A) removed outlier: 3.596A pdb=" N GLYST 482 " --> pdb=" O LEUST 478 " (cutoff:3.500A) Processing helix chain 'ST' and resid 493 through 510 removed outlier: 4.203A pdb=" N LYSST 497 " --> pdb=" O THRST 493 " (cutoff:3.500A) removed outlier: 4.108A pdb=" N VALST 500 " --> pdb=" O ASPST 496 " (cutoff:3.500A) removed outlier: 3.738A pdb=" N HISST 501 " --> pdb=" O LYSST 497 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N GLNST 507 " --> pdb=" O TYRST 503 " (cutoff:3.500A) removed outlier: 3.557A pdb=" N METST 508 " --> pdb=" O HISST 504 " (cutoff:3.500A) Proline residue: ST 510 - end of helix Processing helix chain 'ST' and resid 511 through 536 removed outlier: 3.703A pdb=" N METST 528 " --> pdb=" O ALAST 524 " (cutoff:3.500A) Processing helix chain 'ST' and resid 542 through 556 removed outlier: 3.703A pdb=" N LEUST 546 " --> pdb=" O GLYST 542 " (cutoff:3.500A) Processing helix chain 'ST' and resid 568 through 579 removed outlier: 3.958A pdb=" N CYSST 572 " --> pdb=" O PROST 568 " (cutoff:3.500A) removed outlier: 3.631A pdb=" N GLNST 575 " --> pdb=" O VALST 571 " (cutoff:3.500A) removed outlier: 3.958A pdb=" N LEUST 576 " --> pdb=" O CYSST 572 " (cutoff:3.500A) removed outlier: 4.477A pdb=" N LEUST 577 " --> pdb=" O LEUST 573 " (cutoff:3.500A) removed outlier: 3.924A pdb=" N THRST 578 " --> pdb=" O SERST 574 " (cutoff:3.500A) Processing helix chain 'ST' and resid 584 through 603 removed outlier: 3.665A pdb=" N ALAST 603 " --> pdb=" O LEUST 599 " (cutoff:3.500A) Processing helix chain 'ST' and resid 609 through 625 removed outlier: 3.919A pdb=" N ILEST 613 " --> pdb=" O ILEST 609 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N ASNST 614 " --> pdb=" O PROST 610 " (cutoff:3.500A) removed outlier: 3.788A pdb=" N THRST 624 " --> pdb=" O LEUST 620 " (cutoff:3.500A) Proline residue: ST 625 - end of helix Processing helix chain 'ST' and resid 679 through 703 removed outlier: 4.929A pdb=" N ILEST 683 " --> pdb=" O GLUST 679 " (cutoff:3.500A) removed outlier: 3.729A pdb=" N ARGST 684 " --> pdb=" O ALAST 680 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N LEUST 695 " --> pdb=" O GLYST 691 " (cutoff:3.500A) removed outlier: 3.693A pdb=" N LYSST 696 " --> pdb=" O LEUST 692 " (cutoff:3.500A) removed outlier: 3.901A pdb=" N ARGST 697 " --> pdb=" O ALAST 693 " (cutoff:3.500A) Processing helix chain 'ST' and resid 707 through 726 Proline residue: ST 714 - end of helix Processing helix chain 'ST' and resid 729 through 746 removed outlier: 3.697A pdb=" N LEUST 740 " --> pdb=" O CYSST 736 " (cutoff:3.500A) removed outlier: 3.548A pdb=" N THRST 741 " --> pdb=" O GLNST 737 " (cutoff:3.500A) removed outlier: 3.906A pdb=" N SERST 745 " --> pdb=" O THRST 741 " (cutoff:3.500A) removed outlier: 4.540A pdb=" N GLNST 746 " --> pdb=" O GLUST 742 " (cutoff:3.500A) Processing helix chain 'ST' and resid 787 through 852 removed outlier: 3.699A pdb=" N PHEST 800 " --> pdb=" O HISST 796 " (cutoff:3.500A) removed outlier: 3.526A pdb=" N SERST 820 " --> pdb=" O ARGST 816 " (cutoff:3.500A) removed outlier: 3.548A pdb=" N ALAST 849 " --> pdb=" O GLYST 845 " (cutoff:3.500A) Processing helix chain 'SU' and resid 141 through 153 Processing helix chain 'SU' and resid 177 through 195 Processing helix chain 'SU' and resid 203 through 218 removed outlier: 3.706A pdb=" N TRPSU 207 " --> pdb=" O PROSU 203 " (cutoff:3.500A) removed outlier: 3.613A pdb=" N VALSU 217 " --> pdb=" O LEUSU 213 " (cutoff:3.500A) removed outlier: 5.741A pdb=" N SERSU 218 " --> pdb=" O LEUSU 214 " (cutoff:3.500A) Processing helix chain 'SU' and resid 244 through 261 removed outlier: 3.888A pdb=" N HISSU 248 " --> pdb=" O HISSU 244 " (cutoff:3.500A) removed outlier: 3.710A pdb=" N TRPSU 256 " --> pdb=" O PHESU 252 " (cutoff:3.500A) removed outlier: 3.767A pdb=" N LEUSU 257 " --> pdb=" O GLNSU 253 " (cutoff:3.500A) Processing helix chain 'SU' and resid 265 through 277 removed outlier: 3.500A pdb=" N LEUSU 274 " --> pdb=" O LYSSU 270 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N ILESU 275 " --> pdb=" O LYSSU 271 " (cutoff:3.500A) removed outlier: 4.922A pdb=" N HISSU 277 " --> pdb=" O LEUSU 273 " (cutoff:3.500A) Processing helix chain 'SU' and resid 278 through 283 Proline residue: SU 282 - end of helix No H-bonds generated for 'chain 'SU' and resid 278 through 283' Processing helix chain 'SU' and resid 289 through 301 removed outlier: 4.376A pdb=" N PHESU 293 " --> pdb=" O LEUSU 289 " (cutoff:3.500A) removed outlier: 3.840A pdb=" N ARGSU 296 " --> pdb=" O ASPSU 292 " (cutoff:3.500A) removed outlier: 3.534A pdb=" N ASPSU 299 " --> pdb=" O THRSU 295 " (cutoff:3.500A) removed outlier: 3.722A pdb=" N LEUSU 300 " --> pdb=" O ARGSU 296 " (cutoff:3.500A) removed outlier: 4.668A pdb=" N GLYSU 301 " --> pdb=" O ALASU 297 " (cutoff:3.500A) Processing helix chain 'SU' and resid 302 through 317 removed outlier: 3.786A pdb=" N LEUSU 306 " --> pdb=" O GLYSU 302 " (cutoff:3.500A) removed outlier: 3.710A pdb=" N LEUSU 309 " --> pdb=" O SERSU 305 " (cutoff:3.500A) removed outlier: 4.564A pdb=" N ASNSU 310 " --> pdb=" O LEUSU 306 " (cutoff:3.500A) removed outlier: 4.238A pdb=" N GLYSU 311 " --> pdb=" O LEUSU 307 " (cutoff:3.500A) removed outlier: 3.542A pdb=" N LEUSU 315 " --> pdb=" O GLYSU 311 " (cutoff:3.500A) Processing helix chain 'SU' and resid 325 through 334 removed outlier: 3.658A pdb=" N LEUSU 334 " --> pdb=" O LEUSU 330 " (cutoff:3.500A) Processing helix chain 'SU' and resid 335 through 341 removed outlier: 4.256A pdb=" N PHESU 339 " --> pdb=" O ASPSU 335 " (cutoff:3.500A) removed outlier: 3.899A pdb=" N HISSU 340 " --> pdb=" O PROSU 336 " (cutoff:3.500A) Processing helix chain 'SU' and resid 343 through 357 removed outlier: 3.571A pdb=" N LEUSU 353 " --> pdb=" O HISSU 349 " (cutoff:3.500A) removed outlier: 4.066A pdb=" N SERSU 357 " --> pdb=" O LEUSU 353 " (cutoff:3.500A) Processing helix chain 'SU' and resid 361 through 379 removed outlier: 4.239A pdb=" N THRSU 378 " --> pdb=" O ARGSU 374 " (cutoff:3.500A) removed outlier: 4.216A pdb=" N ALASU 379 " --> pdb=" O LEUSU 375 " (cutoff:3.500A) Processing helix chain 'SU' and resid 380 through 399 removed outlier: 3.600A pdb=" N METSU 386 " --> pdb=" O GLUSU 382 " (cutoff:3.500A) Proline residue: SU 389 - end of helix Proline residue: SU 399 - end of helix Processing helix chain 'SU' and resid 400 through 407 removed outlier: 5.697A pdb=" N LEUSU 404 " --> pdb=" O ALASU 400 " (cutoff:3.500A) removed outlier: 4.388A pdb=" N VALSU 405 " --> pdb=" O CYSSU 401 " (cutoff:3.500A) removed outlier: 4.020A pdb=" N ARGSU 407 " --> pdb=" O VALSU 403 " (cutoff:3.500A) Processing helix chain 'SU' and resid 424 through 429 removed outlier: 3.939A pdb=" N SERSU 428 " --> pdb=" O ASPSU 424 " (cutoff:3.500A) removed outlier: 5.268A pdb=" N ARGSU 429 " --> pdb=" O PROSU 425 " (cutoff:3.500A) No H-bonds generated for 'chain 'SU' and resid 424 through 429' Processing helix chain 'SU' and resid 435 through 444 removed outlier: 4.565A pdb=" N GLNSU 439 " --> pdb=" O LEUSU 435 " (cutoff:3.500A) removed outlier: 3.884A pdb=" N ALASU 440 " --> pdb=" O TRPSU 436 " (cutoff:3.500A) removed outlier: 3.863A pdb=" N HISSU 444 " --> pdb=" O ALASU 440 " (cutoff:3.500A) Processing helix chain 'SU' and resid 446 through 459 removed outlier: 3.803A pdb=" N VALSU 455 " --> pdb=" O LYSSU 451 " (cutoff:3.500A) removed outlier: 4.989A pdb=" N ILESU 456 " --> pdb=" O ALASU 452 " (cutoff:3.500A) removed outlier: 5.043A pdb=" N ASNSU 457 " --> pdb=" O ALASU 453 " (cutoff:3.500A) removed outlier: 4.301A pdb=" N GLNSU 458 " --> pdb=" O SERSU 454 " (cutoff:3.500A) removed outlier: 5.117A pdb=" N ALASU 459 " --> pdb=" O VALSU 455 " (cutoff:3.500A) Processing helix chain 'SU' and resid 467 through 472 removed outlier: 4.366A pdb=" N GLUSU 472 " --> pdb=" O ALASU 468 " (cutoff:3.500A) Processing helix chain 'SU' and resid 474 through 484 Processing helix chain 'NK' and resid 7 through 21 removed outlier: 4.396A pdb=" N ARGNK 11 " --> pdb=" O ASPNK 7 " (cutoff:3.500A) Processing helix chain 'NK' and resid 32 through 49 removed outlier: 4.398A pdb=" N GLNNK 36 " --> pdb=" O ARGNK 32 " (cutoff:3.500A) removed outlier: 5.065A pdb=" N VALNK 49 " --> pdb=" O SERNK 45 " (cutoff:3.500A) Processing helix chain 'NK' and resid 91 through 100 Processing helix chain 'NK' and resid 109 through 115 removed outlier: 4.095A pdb=" N ILENK 113 " --> pdb=" O GLUNK 109 " (cutoff:3.500A) removed outlier: 4.963A pdb=" N GLYNK 115 " --> pdb=" O HISNK 111 " (cutoff:3.500A) Processing helix chain 'NK' and resid 125 through 130 removed outlier: 3.836A pdb=" N LEUNK 129 " --> pdb=" O ASPNK 125 " (cutoff:3.500A) removed outlier: 5.617A pdb=" N THRNK 130 " --> pdb=" O PHENK 126 " (cutoff:3.500A) No H-bonds generated for 'chain 'NK' and resid 125 through 130' Processing helix chain 'NK' and resid 131 through 142 removed outlier: 3.681A pdb=" N VALNK 141 " --> pdb=" O THRNK 137 " (cutoff:3.500A) removed outlier: 5.434A pdb=" N GLUNK 142 " --> pdb=" O VALNK 138 " (cutoff:3.500A) Processing helix chain 'NK' and resid 156 through 163 removed outlier: 3.904A pdb=" N LEUNK 160 " --> pdb=" O SERNK 156 " (cutoff:3.500A) removed outlier: 4.088A pdb=" N THRNK 162 " --> pdb=" O LYSNK 158 " (cutoff:3.500A) removed outlier: 4.583A pdb=" N VALNK 163 " --> pdb=" O GLNNK 159 " (cutoff:3.500A) Processing helix chain 'NK' and resid 165 through 173 removed outlier: 5.197A pdb=" N THRNK 173 " --> pdb=" O SERNK 169 " (cutoff:3.500A) Processing helix chain 'NK' and resid 181 through 194 removed outlier: 4.567A pdb=" N GLUNK 185 " --> pdb=" O GLYNK 181 " (cutoff:3.500A) removed outlier: 3.949A pdb=" N ALANK 192 " --> pdb=" O ILENK 188 " (cutoff:3.500A) removed outlier: 4.252A pdb=" N SERNK 193 " --> pdb=" O LEUNK 189 " (cutoff:3.500A) removed outlier: 3.698A pdb=" N CYSNK 194 " --> pdb=" O SERNK 190 " (cutoff:3.500A) Processing helix chain 'NK' and resid 231 through 244 removed outlier: 4.556A pdb=" N ASPNK 244 " --> pdb=" O GLUNK 240 " (cutoff:3.500A) Processing helix chain 'NK' and resid 246 through 256 removed outlier: 3.685A pdb=" N VALNK 250 " --> pdb=" O GLNNK 246 " (cutoff:3.500A) removed outlier: 4.954A pdb=" N LEUNK 251 " --> pdb=" O PRONK 247 " (cutoff:3.500A) removed outlier: 3.910A pdb=" N VALNK 252 " --> pdb=" O VALNK 248 " (cutoff:3.500A) removed outlier: 5.262A pdb=" N LYSNK 256 " --> pdb=" O VALNK 252 " (cutoff:3.500A) Processing helix chain 'NK' and resid 257 through 274 removed outlier: 3.504A pdb=" N ALANK 261 " --> pdb=" O THRNK 257 " (cutoff:3.500A) removed outlier: 3.586A pdb=" N GLYNK 270 " --> pdb=" O LYSNK 266 " (cutoff:3.500A) removed outlier: 5.263A pdb=" N LYSNK 274 " --> pdb=" O GLYNK 270 " (cutoff:3.500A) Processing helix chain 'NK' and resid 289 through 305 removed outlier: 4.291A pdb=" N GLYNK 305 " --> pdb=" O ALANK 301 " (cutoff:3.500A) Processing helix chain 'NK' and resid 315 through 334 removed outlier: 4.224A pdb=" N LEUNK 319 " --> pdb=" O SERNK 315 " (cutoff:3.500A) removed outlier: 4.698A pdb=" N HISNK 320 " --> pdb=" O PRONK 316 " (cutoff:3.500A) removed outlier: 6.466A pdb=" N THRNK 321 " --> pdb=" O ASPNK 317 " (cutoff:3.500A) removed outlier: 5.452A pdb=" N LEUNK 322 " --> pdb=" O ASNNK 318 " (cutoff:3.500A) removed outlier: 5.056A pdb=" N PHENK 323 " --> pdb=" O LEUNK 319 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N LEUNK 333 " --> pdb=" O GLYNK 329 " (cutoff:3.500A) removed outlier: 3.943A pdb=" N GLNNK 334 " --> pdb=" O PHENK 330 " (cutoff:3.500A) Processing helix chain 'NK' and resid 389 through 394 removed outlier: 4.033A pdb=" N ILENK 393 " --> pdb=" O GLUNK 389 " (cutoff:3.500A) Proline residue: NK 394 - end of helix No H-bonds generated for 'chain 'NK' and resid 389 through 394' Processing helix chain 'NK' and resid 395 through 403 removed outlier: 3.770A pdb=" N SERNK 400 " --> pdb=" O PRONK 396 " (cutoff:3.500A) removed outlier: 4.341A pdb=" N GLYNK 403 " --> pdb=" O LYSNK 399 " (cutoff:3.500A) Processing helix chain 'NK' and resid 420 through 434 Processing helix chain 'NK' and resid 475 through 486 Processing helix chain 'NK' and resid 511 through 517 Processing helix chain 'NK' and resid 519 through 536 removed outlier: 4.841A pdb=" N SERNK 536 " --> pdb=" O LEUNK 532 " (cutoff:3.500A) Processing helix chain 'NK' and resid 541 through 550 removed outlier: 4.120A pdb=" N LEUNK 545 " --> pdb=" O SERNK 541 " (cutoff:3.500A) removed outlier: 4.162A pdb=" N ASPNK 550 " --> pdb=" O GLNNK 546 " (cutoff:3.500A) Processing helix chain 'NK' and resid 586 through 596 Processing helix chain 'NK' and resid 603 through 614 removed outlier: 3.692A pdb=" N VALNK 609 " --> pdb=" O ILENK 605 " (cutoff:3.500A) Processing helix chain 'NK' and resid 639 through 654 Processing helix chain 'NK' and resid 697 through 702 removed outlier: 6.445A pdb=" N ARGNK 701 " --> pdb=" O LYSNK 697 " (cutoff:3.500A) Proline residue: NK 702 - end of helix No H-bonds generated for 'chain 'NK' and resid 697 through 702' Processing helix chain 'NK' and resid 716 through 727 removed outlier: 4.475A pdb=" N LYSNK 721 " --> pdb=" O PRONK 717 " (cutoff:3.500A) removed outlier: 3.820A pdb=" N ALANK 726 " --> pdb=" O PHENK 722 " (cutoff:3.500A) Processing helix chain 'NK' and resid 762 through 779 removed outlier: 3.587A pdb=" N ARGNK 773 " --> pdb=" O LYSNK 769 " (cutoff:3.500A) Processing helix chain 'NK' and resid 787 through 797 removed outlier: 4.538A pdb=" N ASNNK 797 " --> pdb=" O ASNNK 793 " (cutoff:3.500A) Processing helix chain 'NK' and resid 809 through 817 Processing helix chain 'NK' and resid 818 through 832 removed outlier: 3.787A pdb=" N ARGNK 830 " --> pdb=" O GLUNK 826 " (cutoff:3.500A) Processing helix chain 'NK' and resid 835 through 852 removed outlier: 4.538A pdb=" N ASPNK 840 " --> pdb=" O HISNK 836 " (cutoff:3.500A) removed outlier: 5.479A pdb=" N METNK 841 " --> pdb=" O LEUNK 837 " (cutoff:3.500A) Proline residue: NK 843 - end of helix removed outlier: 3.804A pdb=" N ASNNK 852 " --> pdb=" O ILENK 848 " (cutoff:3.500A) Processing helix chain 'NK' and resid 860 through 871 Processing helix chain 'NK' and resid 876 through 884 removed outlier: 3.775A pdb=" N LYSNK 882 " --> pdb=" O ASPNK 878 " (cutoff:3.500A) removed outlier: 3.606A pdb=" N GLUNK 883 " --> pdb=" O GLNNK 879 " (cutoff:3.500A) Processing helix chain 'NK' and resid 887 through 913 Processing helix chain 'NK' and resid 615 through 620 removed outlier: 5.000A pdb=" N GLYNK 619 " --> pdb=" O PRONK 616 " (cutoff:3.500A) Processing helix chain 'NK' and resid 781 through 786 removed outlier: 5.537A pdb=" N SERNK 784 " --> pdb=" O TYRNK 781 " (cutoff:3.500A) removed outlier: 4.063A pdb=" N THRNK 785 " --> pdb=" O GLNNK 782 " (cutoff:3.500A) Processing helix chain 'NY' and resid 46 through 51 removed outlier: 4.367A pdb=" N ASNNY 50 " --> pdb=" O SERNY 46 " (cutoff:3.500A) Proline residue: NY 51 - end of helix No H-bonds generated for 'chain 'NY' and resid 46 through 51' Processing helix chain 'NY' and resid 66 through 76 removed outlier: 4.368A pdb=" N ALANY 70 " --> pdb=" O LYSNY 66 " (cutoff:3.500A) removed outlier: 4.717A pdb=" N TYRNY 71 " --> pdb=" O TYRNY 67 " (cutoff:3.500A) removed outlier: 3.927A pdb=" N GLUNY 74 " --> pdb=" O ALANY 70 " (cutoff:3.500A) Processing helix chain 'NY' and resid 77 through 87 removed outlier: 3.594A pdb=" N GLUNY 85 " --> pdb=" O LYSNY 81 " (cutoff:3.500A) removed outlier: 4.279A pdb=" N HISNY 86 " --> pdb=" O ALANY 82 " (cutoff:3.500A) Processing helix chain 'NY' and resid 109 through 126 removed outlier: 4.738A pdb=" N ILENY 113 " --> pdb=" O ASPNY 109 " (cutoff:3.500A) removed outlier: 4.646A pdb=" N ILENY 114 " --> pdb=" O PRONY 110 " (cutoff:3.500A) Processing helix chain 'NY' and resid 128 through 137 removed outlier: 3.746A pdb=" N ARGNY 134 " --> pdb=" O GLUNY 130 " (cutoff:3.500A) removed outlier: 4.114A pdb=" N ILENY 135 " --> pdb=" O GLNNY 131 " (cutoff:3.500A) removed outlier: 4.739A pdb=" N LEUNY 136 " --> pdb=" O ALANY 132 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N GLNNY 137 " --> pdb=" O VALNY 133 " (cutoff:3.500A) Processing helix chain 'NY' and resid 153 through 166 Processing helix chain 'NY' and resid 169 through 180 Processing helix chain 'NY' and resid 195 through 212 removed outlier: 3.648A pdb=" N METNY 210 " --> pdb=" O VALNY 206 " (cutoff:3.500A) removed outlier: 3.654A pdb=" N ASNNY 212 " --> pdb=" O ASPNY 208 " (cutoff:3.500A) Processing helix chain 'NY' and resid 214 through 232 removed outlier: 4.106A pdb=" N ASNNY 218 " --> pdb=" O HISNY 214 " (cutoff:3.500A) removed outlier: 3.673A pdb=" N LYSNY 230 " --> pdb=" O ARGNY 226 " (cutoff:3.500A) removed outlier: 3.799A pdb=" N ASPNY 231 " --> pdb=" O GLUNY 227 " (cutoff:3.500A) removed outlier: 5.175A pdb=" N SERNY 232 " --> pdb=" O LEUNY 228 " (cutoff:3.500A) Processing helix chain 'NY' and resid 239 through 244 Proline residue: NY 244 - end of helix Processing helix chain 'NY' and resid 276 through 285 removed outlier: 3.885A pdb=" N LYSNY 280 " --> pdb=" O SERNY 276 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N GLUNY 281 " --> pdb=" O GLNNY 277 " (cutoff:3.500A) removed outlier: 3.570A pdb=" N LEUNY 282 " --> pdb=" O ILENY 278 " (cutoff:3.500A) Processing helix chain 'NY' and resid 291 through 322 removed outlier: 5.980A pdb=" N LYSNY 295 " --> pdb=" O ALANY 291 " (cutoff:3.500A) removed outlier: 4.846A pdb=" N ARGNY 296 " --> pdb=" O ASNNY 292 " (cutoff:3.500A) Processing helix chain 'SZ' and resid 179 through 195 removed outlier: 3.594A pdb=" N VALSZ 184 " --> pdb=" O ARGSZ 180 " (cutoff:3.500A) removed outlier: 3.753A pdb=" N GLUSZ 190 " --> pdb=" O ARGSZ 186 " (cutoff:3.500A) removed outlier: 3.555A pdb=" N VALSZ 191 " --> pdb=" O GLYSZ 187 " (cutoff:3.500A) Processing helix chain 'SZ' and resid 201 through 208 removed outlier: 3.763A pdb=" N LYSSZ 205 " --> pdb=" O PROSZ 201 " (cutoff:3.500A) removed outlier: 3.504A pdb=" N ILESZ 206 " --> pdb=" O LYSSZ 202 " (cutoff:3.500A) removed outlier: 3.762A pdb=" N ILESZ 207 " --> pdb=" O ALASZ 203 " (cutoff:3.500A) Proline residue: SZ 208 - end of helix No H-bonds generated for 'chain 'SZ' and resid 201 through 208' Processing helix chain 'SZ' and resid 212 through 221 removed outlier: 4.148A pdb=" N ILESZ 216 " --> pdb=" O ASNSZ 212 " (cutoff:3.500A) removed outlier: 4.976A pdb=" N GLUSZ 221 " --> pdb=" O LEUSZ 217 " (cutoff:3.500A) Processing helix chain 'SZ' and resid 226 through 241 removed outlier: 5.312A pdb=" N LEUSZ 241 " --> pdb=" O PHESZ 237 " (cutoff:3.500A) Processing helix chain 'SZ' and resid 242 through 265 removed outlier: 3.817A pdb=" N ARGSZ 248 " --> pdb=" O ARGSZ 244 " (cutoff:3.500A) removed outlier: 4.769A pdb=" N LEUSZ 255 " --> pdb=" O ASNSZ 251 " (cutoff:3.500A) Proline residue: SZ 256 - end of helix removed outlier: 3.513A pdb=" N ASPSZ 260 " --> pdb=" O PROSZ 256 " (cutoff:3.500A) removed outlier: 3.783A pdb=" N ASPSZ 261 " --> pdb=" O ARGSZ 257 " (cutoff:3.500A) removed outlier: 3.557A pdb=" N VALSZ 262 " --> pdb=" O VALSZ 258 " (cutoff:3.500A) Processing helix chain 'SZ' and resid 269 through 281 removed outlier: 3.861A pdb=" N LYSSZ 277 " --> pdb=" O TYRSZ 273 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N LEUSZ 280 " --> pdb=" O LEUSZ 276 " (cutoff:3.500A) removed outlier: 5.287A pdb=" N PHESZ 281 " --> pdb=" O LYSSZ 277 " (cutoff:3.500A) Processing helix chain 'SZ' and resid 282 through 289 Processing helix chain 'SZ' and resid 290 through 298 removed outlier: 4.266A pdb=" N GLYSZ 298 " --> pdb=" O LEUSZ 294 " (cutoff:3.500A) Processing helix chain 'SZ' and resid 301 through 316 removed outlier: 3.718A pdb=" N ILESZ 307 " --> pdb=" O ARGSZ 303 " (cutoff:3.500A) removed outlier: 4.443A pdb=" N SERSZ 316 " --> pdb=" O ILESZ 312 " (cutoff:3.500A) Processing helix chain 'SZ' and resid 318 through 332 Processing helix chain 'SZ' and resid 335 through 349 removed outlier: 3.554A pdb=" N SERSZ 339 " --> pdb=" O SERSZ 335 " (cutoff:3.500A) removed outlier: 3.950A pdb=" N ILESZ 340 " --> pdb=" O GLYSZ 336 " (cutoff:3.500A) removed outlier: 3.600A pdb=" N PHESZ 341 " --> pdb=" O ALASZ 337 " (cutoff:3.500A) removed outlier: 3.689A pdb=" N LEUSZ 344 " --> pdb=" O ILESZ 340 " (cutoff:3.500A) removed outlier: 3.883A pdb=" N LYSSZ 349 " --> pdb=" O LEUSZ 345 " (cutoff:3.500A) Processing helix chain 'SZ' and resid 353 through 369 removed outlier: 4.365A pdb=" N PHESZ 367 " --> pdb=" O HISSZ 363 " (cutoff:3.500A) removed outlier: 4.532A pdb=" N ARGSZ 368 " --> pdb=" O PHESZ 364 " (cutoff:3.500A) removed outlier: 5.225A pdb=" N THRSZ 369 " --> pdb=" O LEUSZ 365 " (cutoff:3.500A) Processing helix chain 'SZ' and resid 375 through 389 removed outlier: 3.684A pdb=" N CYSSZ 381 " --> pdb=" O LEUSZ 377 " (cutoff:3.500A) removed outlier: 3.672A pdb=" N ARGSZ 388 " --> pdb=" O THRSZ 384 " (cutoff:3.500A) Processing helix chain 'SZ' and resid 394 through 409 removed outlier: 3.644A pdb=" N ALASZ 400 " --> pdb=" O ASPSZ 396 " (cutoff:3.500A) removed outlier: 3.532A pdb=" N LEUSZ 401 " --> pdb=" O GLNSZ 397 " (cutoff:3.500A) removed outlier: 3.889A pdb=" N LEUSZ 402 " --> pdb=" O LYSSZ 398 " (cutoff:3.500A) removed outlier: 4.021A pdb=" N GLUSZ 403 " --> pdb=" O GLUSZ 399 " (cutoff:3.500A) removed outlier: 3.844A pdb=" N LEUSZ 404 " --> pdb=" O ALASZ 400 " (cutoff:3.500A) Proline residue: SZ 409 - end of helix Processing helix chain 'SZ' and resid 411 through 423 Proline residue: SZ 415 - end of helix Processing sheet with id= 1, first strand: chain 'L4' and resid 88 through 93 removed outlier: 4.162A pdb=" N ASPL4 88 " --> pdb=" O LEUL4 101 " (cutoff:3.500A) removed outlier: 4.933A pdb=" N ASNL4 98 " --> pdb=" O ILEL4 114 " (cutoff:3.500A) removed outlier: 3.999A pdb=" N HISL4 112 " --> pdb=" O ARGL4 100 " (cutoff:3.500A) removed outlier: 4.229A pdb=" N ILEL4 102 " --> pdb=" O ALAL4 110 " (cutoff:3.500A) Processing sheet with id= 2, first strand: chain 'L4' and resid 122 through 126 removed outlier: 7.017A pdb=" N GLNL4 161 " --> pdb=" O THRL4 170 " (cutoff:3.500A) removed outlier: 3.788A pdb=" N LYSL4 168 " --> pdb=" O ASPL4 163 " (cutoff:3.500A) Processing sheet with id= 3, first strand: chain 'L4' and resid 128 through 133 removed outlier: 6.612A pdb=" N LYSL4 128 " --> pdb=" O LEUL4 139 " (cutoff:3.500A) removed outlier: 4.517A pdb=" N LEUL4 139 " --> pdb=" O LYSL4 128 " (cutoff:3.500A) removed outlier: 6.773A pdb=" N PHEL4 130 " --> pdb=" O PROL4 137 " (cutoff:3.500A) removed outlier: 6.188A pdb=" N GLYL4 132 " --> pdb=" O GLYL4 135 " (cutoff:3.500A) removed outlier: 4.751A pdb=" N ARGL4 145 " --> pdb=" O THRL4 141 " (cutoff:3.500A) Processing sheet with id= 4, first strand: chain 'L4' and resid 191 through 194 removed outlier: 4.276A pdb=" N ARGL4 191 " --> pdb=" O VALL4 183 " (cutoff:3.500A) removed outlier: 6.899A pdb=" N LEUL4 180 " --> pdb=" O ILEL4 228 " (cutoff:3.500A) Processing sheet with id= 5, first strand: chain 'L4' and resid 196 through 200 removed outlier: 3.847A pdb=" N ASNL4 197 " --> pdb=" O HISL4 209 " (cutoff:3.500A) removed outlier: 4.785A pdb=" N ASNL4 216 " --> pdb=" O ASPL4 212 " (cutoff:3.500A) Processing sheet with id= 6, first strand: chain 'L4' and resid 158 through 161 removed outlier: 4.090A pdb=" N ASPL4 171 " --> pdb=" O GLNL4 161 " (cutoff:3.500A) Processing sheet with id= 7, first strand: chain 'L5' and resid 123 through 129 Processing sheet with id= 8, first strand: chain 'L6' and resid 12 through 17 removed outlier: 6.862A pdb=" N ASNL6 110 " --> pdb=" O SERL6 53 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N VALL6 49 " --> pdb=" O VALL6 114 " (cutoff:3.500A) Processing sheet with id= 9, first strand: chain 'L6' and resid 71 through 76 removed outlier: 6.361A pdb=" N GLYL6 71 " --> pdb=" O GLYL6 99 " (cutoff:3.500A) Processing sheet with id= 10, first strand: chain 'L6' and resid 159 through 163 Processing sheet with id= 11, first strand: chain 'L7' and resid 46 through 53 Processing sheet with id= 12, first strand: chain 'L7' and resid 141 through 146 removed outlier: 3.744A pdb=" N GLYL7 141 " --> pdb=" O HISL7 157 " (cutoff:3.500A) Processing sheet with id= 13, first strand: chain 'L8' and resid 42 through 48 removed outlier: 6.429A pdb=" N ARGL8 42 " --> pdb=" O LEUL8 58 " (cutoff:3.500A) removed outlier: 4.071A pdb=" N ASNL8 52 " --> pdb=" O VALL8 48 " (cutoff:3.500A) Processing sheet with id= 14, first strand: chain 'L8' and resid 72 through 76 removed outlier: 3.960A pdb=" N ASNL8 64 " --> pdb=" O ALAL8 185 " (cutoff:3.500A) removed outlier: 3.625A pdb=" N GLYL8 187 " --> pdb=" O ASNL8 64 " (cutoff:3.500A) removed outlier: 6.830A pdb=" N ASPL8 186 " --> pdb=" O ALAL8 176 " (cutoff:3.500A) removed outlier: 6.082A pdb=" N LEUL8 172 " --> pdb=" O LEUL8 190 " (cutoff:3.500A) removed outlier: 4.612A pdb=" N CYSL8 100 " --> pdb=" O ILEL8 175 " (cutoff:3.500A) Processing sheet with id= 15, first strand: chain 'LA' and resid 74 through 80 removed outlier: 3.703A pdb=" N ASNLA 75 " --> pdb=" O HISLA 48 " (cutoff:3.500A) Processing sheet with id= 16, first strand: chain 'LC' and resid 9 through 15 removed outlier: 3.586A pdb=" N LEULC 31 " --> pdb=" O VALLC 66 " (cutoff:3.500A) Processing sheet with id= 17, first strand: chain 'LD' and resid 71 through 76 removed outlier: 5.911A pdb=" N ARGLD 71 " --> pdb=" O GLULD 130 " (cutoff:3.500A) removed outlier: 6.724A pdb=" N THRLD 127 " --> pdb=" O LEULD 143 " (cutoff:3.500A) Processing sheet with id= 18, first strand: chain 'LD' and resid 85 through 97 removed outlier: 6.186A pdb=" N THRLD 85 " --> pdb=" O HISLD 112 " (cutoff:3.500A) removed outlier: 6.720A pdb=" N HISLD 112 " --> pdb=" O THRLD 85 " (cutoff:3.500A) removed outlier: 6.903A pdb=" N VALLD 87 " --> pdb=" O SERLD 110 " (cutoff:3.500A) removed outlier: 6.873A pdb=" N SERLD 110 " --> pdb=" O VALLD 87 " (cutoff:3.500A) removed outlier: 6.884A pdb=" N ARGLD 89 " --> pdb=" O ASNLD 108 " (cutoff:3.500A) removed outlier: 6.924A pdb=" N ASNLD 108 " --> pdb=" O ARGLD 89 " (cutoff:3.500A) removed outlier: 6.732A pdb=" N ASPLD 91 " --> pdb=" O HISLD 106 " (cutoff:3.500A) removed outlier: 6.646A pdb=" N HISLD 106 " --> pdb=" O ASPLD 91 " (cutoff:3.500A) removed outlier: 6.789A pdb=" N LEULD 93 " --> pdb=" O LYSLD 104 " (cutoff:3.500A) removed outlier: 6.912A pdb=" N LYSLD 104 " --> pdb=" O LEULD 93 " (cutoff:3.500A) removed outlier: 6.712A pdb=" N TYRLD 95 " --> pdb=" O PHELD 102 " (cutoff:3.500A) removed outlier: 6.680A pdb=" N PHELD 102 " --> pdb=" O TYRLD 95 " (cutoff:3.500A) removed outlier: 6.663A pdb=" N ARGLD 97 " --> pdb=" O ASNLD 100 " (cutoff:3.500A) Processing sheet with id= 19, first strand: chain 'LD' and resid 124 through 127 Processing sheet with id= 20, first strand: chain 'LF' and resid 5 through 10 Processing sheet with id= 21, first strand: chain 'LF' and resid 59 through 63 removed outlier: 5.348A pdb=" N GLYLF 59 " --> pdb=" O PHELF 72 " (cutoff:3.500A) removed outlier: 4.433A pdb=" N PHELF 72 " --> pdb=" O GLYLF 59 " (cutoff:3.500A) removed outlier: 5.352A pdb=" N LYSLF 68 " --> pdb=" O HISLF 63 " (cutoff:3.500A) Processing sheet with id= 22, first strand: chain 'LF' and resid 20 through 28 Processing sheet with id= 23, first strand: chain 'LG' and resid 40 through 45 removed outlier: 5.472A pdb=" N ARGLG 40 " --> pdb=" O PHELG 34 " (cutoff:3.500A) removed outlier: 6.789A pdb=" N ARGLG 31 " --> pdb=" O THRLG 15 " (cutoff:3.500A) removed outlier: 4.717A pdb=" N ASPLG 54 " --> pdb=" O VALLG 14 " (cutoff:3.500A) Processing sheet with id= 24, first strand: chain 'LH' and resid 7 through 12 removed outlier: 6.731A pdb=" N LEULH 665 " --> pdb=" O CYSLH 12 " (cutoff:3.500A) removed outlier: 4.558A pdb=" N SERLH 664 " --> pdb=" O THRLH 660 " (cutoff:3.500A) removed outlier: 3.790A pdb=" N PHELH 668 " --> pdb=" O PHELH 656 " (cutoff:3.500A) removed outlier: 5.825A pdb=" N PHELH 656 " --> pdb=" O PHELH 668 " (cutoff:3.500A) Processing sheet with id= 25, first strand: chain 'LH' and resid 22 through 25 removed outlier: 5.927A pdb=" N TYRLH 30 " --> pdb=" O SERLH 25 " (cutoff:3.500A) removed outlier: 8.501A pdb=" N LYSLH 29 " --> pdb=" O THRLH 44 " (cutoff:3.500A) removed outlier: 6.774A pdb=" N VALLH 41 " --> pdb=" O VALLH 50 " (cutoff:3.500A) removed outlier: 3.919A pdb=" N GLULH 48 " --> pdb=" O SERLH 43 " (cutoff:3.500A) Processing sheet with id= 26, first strand: chain 'LH' and resid 62 through 66 removed outlier: 3.684A pdb=" N GLYLH 62 " --> pdb=" O CYSLH 76 " (cutoff:3.500A) removed outlier: 5.360A pdb=" N GLNLH 72 " --> pdb=" O ASNLH 66 " (cutoff:3.500A) removed outlier: 4.799A pdb=" N GLYLH 80 " --> pdb=" O VALLH 98 " (cutoff:3.500A) removed outlier: 5.651A pdb=" N GLNLH 140 " --> pdb=" O ILELH 93 " (cutoff:3.500A) Processing sheet with id= 27, first strand: chain 'LH' and resid 104 through 107 removed outlier: 4.213A pdb=" N ALALH 104 " --> pdb=" O ILELH 118 " (cutoff:3.500A) removed outlier: 6.002A pdb=" N ASPLH 113 " --> pdb=" O LEULH 134 " (cutoff:3.500A) removed outlier: 6.542A pdb=" N LEULH 129 " --> pdb=" O VALLH 150 " (cutoff:3.500A) Processing sheet with id= 28, first strand: chain 'LH' and resid 168 through 174 removed outlier: 8.063A pdb=" N VALLH 168 " --> pdb=" O PHELH 183 " (cutoff:3.500A) removed outlier: 6.558A pdb=" N PHELH 176 " --> pdb=" O LEULH 193 " (cutoff:3.500A) removed outlier: 3.932A pdb=" N THRLH 187 " --> pdb=" O PHELH 182 " (cutoff:3.500A) Processing sheet with id= 29, first strand: chain 'LH' and resid 207 through 212 removed outlier: 3.777A pdb=" N CYSLH 208 " --> pdb=" O GLYLH 221 " (cutoff:3.500A) removed outlier: 5.573A pdb=" N CYSLH 217 " --> pdb=" O HISLH 212 " (cutoff:3.500A) removed outlier: 5.933A pdb=" N ILELH 218 " --> pdb=" O LEULH 229 " (cutoff:3.500A) removed outlier: 4.057A pdb=" N LEULH 229 " --> pdb=" O ILELH 218 " (cutoff:3.500A) removed outlier: 6.302A pdb=" N SERLH 220 " --> pdb=" O ILELH 227 " (cutoff:3.500A) removed outlier: 4.248A pdb=" N ILELH 227 " --> pdb=" O SERLH 220 " (cutoff:3.500A) removed outlier: 5.813A pdb=" N HISLH 222 " --> pdb=" O GLYLH 225 " (cutoff:3.500A) Processing sheet with id= 30, first strand: chain 'LH' and resid 253 through 257 removed outlier: 3.624A pdb=" N ASPLH 253 " --> pdb=" O GLYLH 266 " (cutoff:3.500A) removed outlier: 5.841A pdb=" N SERLH 262 " --> pdb=" O SERLH 257 " (cutoff:3.500A) removed outlier: 5.255A pdb=" N ASNLH 282 " --> pdb=" O ARGLH 276 " (cutoff:3.500A) Processing sheet with id= 31, first strand: chain 'LH' and resid 295 through 299 removed outlier: 3.577A pdb=" N HISLH 295 " --> pdb=" O SERLH 308 " (cutoff:3.500A) removed outlier: 6.036A pdb=" N LEULH 304 " --> pdb=" O SERLH 299 " (cutoff:3.500A) removed outlier: 4.447A pdb=" N LYSLH 313 " --> pdb=" O HISLH 309 " (cutoff:3.500A) removed outlier: 3.549A pdb=" N ALALH 325 " --> pdb=" O ILELH 316 " (cutoff:3.500A) Processing sheet with id= 32, first strand: chain 'LH' and resid 340 through 344 removed outlier: 3.745A pdb=" N ALALH 348 " --> pdb=" O ASPLH 343 " (cutoff:3.500A) Processing sheet with id= 33, first strand: chain 'LH' and resid 388 through 391 removed outlier: 6.844A pdb=" N VALLH 405 " --> pdb=" O THRLH 391 " (cutoff:3.500A) removed outlier: 5.833A pdb=" N TRPLH 401 " --> pdb=" O GLYLH 396 " (cutoff:3.500A) removed outlier: 3.645A pdb=" N LYSLH 392 " --> pdb=" O VALLH 405 " (cutoff:3.500A) Processing sheet with id= 34, first strand: chain 'LH' and resid 429 through 434 removed outlier: 6.688A pdb=" N LEULH 421 " --> pdb=" O ASNLH 434 " (cutoff:3.500A) removed outlier: 3.523A pdb=" N THRLH 435 " --> pdb=" O LEULH 421 " (cutoff:3.500A) Processing sheet with id= 35, first strand: chain 'LH' and resid 447 through 451 removed outlier: 3.699A pdb=" N ALALH 447 " --> pdb=" O ALALH 464 " (cutoff:3.500A) removed outlier: 3.593A pdb=" N ALALH 464 " --> pdb=" O ALALH 447 " (cutoff:3.500A) removed outlier: 3.594A pdb=" N CYSLH 449 " --> pdb=" O VALLH 462 " (cutoff:3.500A) removed outlier: 3.518A pdb=" N CYSLH 451 " --> pdb=" O THRLH 460 " (cutoff:3.500A) removed outlier: 5.670A pdb=" N THRLH 460 " --> pdb=" O CYSLH 451 " (cutoff:3.500A) removed outlier: 4.060A pdb=" N TYRLH 469 " --> pdb=" O SERLH 465 " (cutoff:3.500A) removed outlier: 6.539A pdb=" N VALLH 472 " --> pdb=" O ASPLH 491 " (cutoff:3.500A) Processing sheet with id= 36, first strand: chain 'LH' and resid 503 through 507 removed outlier: 3.779A pdb=" N ASNLH 503 " --> pdb=" O SERLH 516 " (cutoff:3.500A) removed outlier: 6.329A pdb=" N LEULH 512 " --> pdb=" O SERLH 507 " (cutoff:3.500A) removed outlier: 7.497A pdb=" N SERLH 511 " --> pdb=" O SERLH 526 " (cutoff:3.500A) Processing sheet with id= 37, first strand: chain 'LH' and resid 544 through 548 removed outlier: 3.619A pdb=" N HISLH 544 " --> pdb=" O ALALH 559 " (cutoff:3.500A) removed outlier: 5.942A pdb=" N TYRLH 555 " --> pdb=" O GLYLH 548 " (cutoff:3.500A) removed outlier: 9.032A pdb=" N LYSLH 554 " --> pdb=" O LEULH 570 " (cutoff:3.500A) removed outlier: 4.096A pdb=" N ILELH 564 " --> pdb=" O THRLH 560 " (cutoff:3.500A) removed outlier: 6.891A pdb=" N CYSLH 567 " --> pdb=" O GLULH 576 " (cutoff:3.500A) Processing sheet with id= 38, first strand: chain 'LH' and resid 584 through 589 removed outlier: 3.539A pdb=" N VALLH 585 " --> pdb=" O ILELH 598 " (cutoff:3.500A) removed outlier: 5.437A pdb=" N ASNLH 594 " --> pdb=" O ASPLH 589 " (cutoff:3.500A) Processing sheet with id= 39, first strand: chain 'LH' and resid 38 through 41 Processing sheet with id= 40, first strand: chain 'LH' and resid 400 through 409 removed outlier: 6.723A pdb=" N ASNLH 400 " --> pdb=" O TYRLH 424 " (cutoff:3.500A) Processing sheet with id= 41, first strand: chain 'LH' and resid 469 through 472 Processing sheet with id= 42, first strand: chain 'LH' and resid 563 through 567 removed outlier: 4.634A pdb=" N GLYLH 563 " --> pdb=" O LEULH 581 " (cutoff:3.500A) removed outlier: 3.646A pdb=" N TRPLH 577 " --> pdb=" O CYSLH 567 " (cutoff:3.500A) Processing sheet with id= 43, first strand: chain 'LI' and resid 154 through 160 removed outlier: 4.260A pdb=" N TYRLI 177 " --> pdb=" O LEULI 194 " (cutoff:3.500A) Processing sheet with id= 44, first strand: chain 'LI' and resid 205 through 212 removed outlier: 3.925A pdb=" N ASPLI 212 " --> pdb=" O PHELI 215 " (cutoff:3.500A) removed outlier: 3.947A pdb=" N PHELI 215 " --> pdb=" O ASPLI 212 " (cutoff:3.500A) removed outlier: 6.410A pdb=" N ILELI 227 " --> pdb=" O LEULI 250 " (cutoff:3.500A) Processing sheet with id= 45, first strand: chain 'LI' and resid 263 through 268 removed outlier: 3.633A pdb=" N ALALI 264 " --> pdb=" O LEULI 276 " (cutoff:3.500A) removed outlier: 6.585A pdb=" N HISLI 272 " --> pdb=" O LEULI 268 " (cutoff:3.500A) removed outlier: 8.240A pdb=" N ASPLI 271 " --> pdb=" O ILELI 292 " (cutoff:3.500A) removed outlier: 4.514A pdb=" N CYSLI 286 " --> pdb=" O GLYLI 277 " (cutoff:3.500A) removed outlier: 6.681A pdb=" N VALLI 289 " --> pdb=" O GLNLI 298 " (cutoff:3.500A) removed outlier: 3.518A pdb=" N THRLI 296 " --> pdb=" O ASNLI 291 " (cutoff:3.500A) Processing sheet with id= 46, first strand: chain 'LI' and resid 310 through 313 removed outlier: 3.592A pdb=" N GLNLI 310 " --> pdb=" O LEULI 321 " (cutoff:3.500A) Processing sheet with id= 47, first strand: chain 'LI' and resid 286 through 289 Processing sheet with id= 48, first strand: chain 'LJ' and resid 43 through 47 removed outlier: 4.013A pdb=" N LYSLJ 43 " --> pdb=" O THRLJ 57 " (cutoff:3.500A) removed outlier: 4.632A pdb=" N ASNLJ 53 " --> pdb=" O SERLJ 47 " (cutoff:3.500A) Processing sheet with id= 49, first strand: chain 'LJ' and resid 85 through 89 removed outlier: 5.721A pdb=" N CYSLJ 85 " --> pdb=" O GLYLJ 98 " (cutoff:3.500A) removed outlier: 4.622A pdb=" N GLYLJ 98 " --> pdb=" O CYSLJ 85 " (cutoff:3.500A) removed outlier: 6.097A pdb=" N LEULJ 94 " --> pdb=" O ARGLJ 89 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N GLNLJ 105 " --> pdb=" O ALALJ 97 " (cutoff:3.500A) removed outlier: 3.879A pdb=" N ARGLJ 116 " --> pdb=" O LEULJ 106 " (cutoff:3.500A) Processing sheet with id= 50, first strand: chain 'LJ' and resid 127 through 131 removed outlier: 6.568A pdb=" N HISLJ 136 " --> pdb=" O THRLJ 131 " (cutoff:3.500A) removed outlier: 8.837A pdb=" N TYRLJ 135 " --> pdb=" O ILELJ 151 " (cutoff:3.500A) removed outlier: 6.709A pdb=" N LEULJ 148 " --> pdb=" O ILELJ 157 " (cutoff:3.500A) removed outlier: 3.785A pdb=" N LYSLJ 155 " --> pdb=" O ASPLJ 150 " (cutoff:3.500A) Processing sheet with id= 51, first strand: chain 'LJ' and resid 168 through 173 removed outlier: 3.596A pdb=" N CYSLJ 169 " --> pdb=" O GLYLJ 183 " (cutoff:3.500A) removed outlier: 6.059A pdb=" N LEULJ 179 " --> pdb=" O SERLJ 173 " (cutoff:3.500A) removed outlier: 5.377A pdb=" N ASPLJ 178 " --> pdb=" O ALALJ 194 " (cutoff:3.500A) removed outlier: 3.579A pdb=" N ALALJ 194 " --> pdb=" O ASPLJ 178 " (cutoff:3.500A) removed outlier: 3.693A pdb=" N SERLJ 184 " --> pdb=" O THRLJ 188 " (cutoff:3.500A) removed outlier: 4.691A pdb=" N THRLJ 188 " --> pdb=" O SERLJ 184 " (cutoff:3.500A) removed outlier: 5.095A pdb=" N HISLJ 187 " --> pdb=" O HISLJ 205 " (cutoff:3.500A) removed outlier: 3.996A pdb=" N LEULJ 201 " --> pdb=" O METLJ 191 " (cutoff:3.500A) Processing sheet with id= 52, first strand: chain 'LJ' and resid 211 through 215 removed outlier: 3.960A pdb=" N SERLJ 211 " --> pdb=" O ALALJ 224 " (cutoff:3.500A) removed outlier: 4.024A pdb=" N LEULJ 220 " --> pdb=" O PHELJ 215 " (cutoff:3.500A) removed outlier: 7.461A pdb=" N GLYLJ 219 " --> pdb=" O METLJ 234 " (cutoff:3.500A) removed outlier: 3.743A pdb=" N VALLJ 242 " --> pdb=" O VALLJ 231 " (cutoff:3.500A) Processing sheet with id= 53, first strand: chain 'LJ' and resid 253 through 257 removed outlier: 6.209A pdb=" N ARGLJ 262 " --> pdb=" O SERLJ 257 " (cutoff:3.500A) removed outlier: 7.964A pdb=" N GLNLJ 261 " --> pdb=" O THRLJ 277 " (cutoff:3.500A) removed outlier: 5.542A pdb=" N ARGLJ 270 " --> pdb=" O TYRLJ 288 " (cutoff:3.500A) Processing sheet with id= 54, first strand: chain 'LJ' and resid 294 through 298 removed outlier: 5.656A pdb=" N THRLJ 303 " --> pdb=" O ALALJ 298 " (cutoff:3.500A) removed outlier: 8.952A pdb=" N GLULJ 302 " --> pdb=" O ARGLJ 318 " (cutoff:3.500A) Processing sheet with id= 55, first strand: chain 'LJ' and resid 145 through 148 Processing sheet with id= 56, first strand: chain 'LL' and resid 18 through 22 removed outlier: 6.255A pdb=" N TYRLL 28 " --> pdb=" O SERLL 22 " (cutoff:3.500A) removed outlier: 7.855A pdb=" N ALALL 27 " --> pdb=" O THRLL 43 " (cutoff:3.500A) removed outlier: 4.119A pdb=" N HISLL 37 " --> pdb=" O SERLL 33 " (cutoff:3.500A) removed outlier: 6.712A pdb=" N VALLL 40 " --> pdb=" O HISLL 49 " (cutoff:3.500A) removed outlier: 3.663A pdb=" N ARGLL 47 " --> pdb=" O GLULL 42 " (cutoff:3.500A) Processing sheet with id= 57, first strand: chain 'LL' and resid 63 through 68 removed outlier: 3.942A pdb=" N CYSLL 64 " --> pdb=" O GLYLL 100 " (cutoff:3.500A) removed outlier: 5.785A pdb=" N LEULL 96 " --> pdb=" O ALALL 68 " (cutoff:3.500A) removed outlier: 4.588A pdb=" N SERLL 105 " --> pdb=" O THRLL 101 " (cutoff:3.500A) Processing sheet with id= 58, first strand: chain 'LL' and resid 131 through 135 removed outlier: 3.610A pdb=" N CYSLL 131 " --> pdb=" O CYSLL 144 " (cutoff:3.500A) removed outlier: 5.295A pdb=" N CYSLL 140 " --> pdb=" O HISLL 135 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N GLULL 152 " --> pdb=" O LYSLL 161 " (cutoff:3.500A) Processing sheet with id= 59, first strand: chain 'LL' and resid 173 through 177 removed outlier: 6.560A pdb=" N SERLL 173 " --> pdb=" O ALALL 186 " (cutoff:3.500A) removed outlier: 5.960A pdb=" N METLL 182 " --> pdb=" O SERLL 177 " (cutoff:3.500A) removed outlier: 7.966A pdb=" N LYSLL 181 " --> pdb=" O LEULL 195 " (cutoff:3.500A) removed outlier: 6.532A pdb=" N LEULL 192 " --> pdb=" O TYRLL 201 " (cutoff:3.500A) removed outlier: 3.643A pdb=" N GLULL 199 " --> pdb=" O VALLL 194 " (cutoff:3.500A) Processing sheet with id= 60, first strand: chain 'LL' and resid 202 through 205 removed outlier: 3.737A pdb=" N HISLL 203 " --> pdb=" O ASNLL 255 " (cutoff:3.500A) removed outlier: 3.571A pdb=" N THRLL 205 " --> pdb=" O GLULL 257 " (cutoff:3.500A) Processing sheet with id= 61, first strand: chain 'LL' and resid 212 through 217 removed outlier: 6.563A pdb=" N TYRLL 235 " --> pdb=" O THRLL 217 " (cutoff:3.500A) removed outlier: 4.474A pdb=" N LEULL 234 " --> pdb=" O VALLL 251 " (cutoff:3.500A) removed outlier: 4.718A pdb=" N ALALL 240 " --> pdb=" O LEULL 245 " (cutoff:3.500A) removed outlier: 6.571A pdb=" N LEULL 245 " --> pdb=" O ALALL 240 " (cutoff:3.500A) removed outlier: 5.754A pdb=" N ARGLL 244 " --> pdb=" O VALLL 266 " (cutoff:3.500A) removed outlier: 3.696A pdb=" N METLL 262 " --> pdb=" O VALLL 248 " (cutoff:3.500A) Processing sheet with id= 62, first strand: chain 'LL' and resid 271 through 277 removed outlier: 5.617A pdb=" N GLNLL 295 " --> pdb=" O CYSLL 291 " (cutoff:3.500A) Processing sheet with id= 63, first strand: chain 'LL' and resid 337 through 340 Processing sheet with id= 64, first strand: chain 'LL' and resid 37 through 40 Processing sheet with id= 65, first strand: chain 'LL' and resid 148 through 152 No H-bonds generated for sheet with id= 65 Processing sheet with id= 66, first strand: chain 'LN' and resid 4 through 10 removed outlier: 6.193A pdb=" N THRLN 660 " --> pdb=" O LEULN 656 " (cutoff:3.500A) Processing sheet with id= 67, first strand: chain 'LN' and resid 21 through 25 removed outlier: 4.040A pdb=" N ARGLN 30 " --> pdb=" O ASNLN 25 " (cutoff:3.500A) removed outlier: 8.106A pdb=" N ASNLN 29 " --> pdb=" O LEULN 45 " (cutoff:3.500A) Processing sheet with id= 68, first strand: chain 'LN' and resid 65 through 68 removed outlier: 4.209A pdb=" N LEULN 74 " --> pdb=" O TYRLN 86 " (cutoff:3.500A) removed outlier: 6.699A pdb=" N GLULN 85 " --> pdb=" O LYSLN 94 " (cutoff:3.500A) removed outlier: 3.613A pdb=" N ASNLN 92 " --> pdb=" O ASPLN 87 " (cutoff:3.500A) Processing sheet with id= 69, first strand: chain 'LN' and resid 106 through 110 removed outlier: 3.655A pdb=" N SERLN 106 " --> pdb=" O GLYLN 119 " (cutoff:3.500A) removed outlier: 5.981A pdb=" N GLNLN 115 " --> pdb=" O SERLN 110 " (cutoff:3.500A) removed outlier: 6.557A pdb=" N SERLN 114 " --> pdb=" O ILELN 130 " (cutoff:3.500A) removed outlier: 6.700A pdb=" N LEULN 127 " --> pdb=" O GLULN 138 " (cutoff:3.500A) Processing sheet with id= 70, first strand: chain 'LN' and resid 150 through 154 removed outlier: 3.749A pdb=" N SERLN 150 " --> pdb=" O GLYLN 163 " (cutoff:3.500A) removed outlier: 5.629A pdb=" N HISLN 159 " --> pdb=" O HISLN 154 " (cutoff:3.500A) removed outlier: 3.550A pdb=" N HISLN 180 " --> pdb=" O VALLN 170 " (cutoff:3.500A) Processing sheet with id= 71, first strand: chain 'LN' and resid 200 through 205 removed outlier: 6.956A pdb=" N GLYLN 200 " --> pdb=" O SERLN 211 " (cutoff:3.500A) removed outlier: 4.642A pdb=" N SERLN 211 " --> pdb=" O GLYLN 200 " (cutoff:3.500A) removed outlier: 6.651A pdb=" N ALALN 202 " --> pdb=" O ILELN 209 " (cutoff:3.500A) removed outlier: 4.731A pdb=" N ILELN 209 " --> pdb=" O ALALN 202 " (cutoff:3.500A) removed outlier: 6.093A pdb=" N LEULN 204 " --> pdb=" O GLYLN 207 " (cutoff:3.500A) removed outlier: 8.915A pdb=" N GLYLN 207 " --> pdb=" O SERLN 223 " (cutoff:3.500A) removed outlier: 4.152A pdb=" N LYSLN 217 " --> pdb=" O ASPLN 213 " (cutoff:3.500A) Processing sheet with id= 72, first strand: chain 'LN' and resid 249 through 255 removed outlier: 6.874A pdb=" N ASPLN 249 " --> pdb=" O LEULN 265 " (cutoff:3.500A) removed outlier: 4.023A pdb=" N THRLN 259 " --> pdb=" O THRLN 255 " (cutoff:3.500A) Processing sheet with id= 73, first strand: chain 'LN' and resid 292 through 296 removed outlier: 3.605A pdb=" N ALALN 299 " --> pdb=" O SERLN 296 " (cutoff:3.500A) removed outlier: 6.950A pdb=" N THRLN 298 " --> pdb=" O LEULN 314 " (cutoff:3.500A) Processing sheet with id= 74, first strand: chain 'LN' and resid 338 through 342 removed outlier: 7.232A pdb=" N GLNLN 345 " --> pdb=" O LEULN 360 " (cutoff:3.500A) removed outlier: 4.057A pdb=" N HISLN 354 " --> pdb=" O PHELN 351 " (cutoff:3.500A) removed outlier: 6.428A pdb=" N LEULN 357 " --> pdb=" O LEULN 382 " (cutoff:3.500A) removed outlier: 4.689A pdb=" N GLYLN 361 " --> pdb=" O ASNLN 378 " (cutoff:3.500A) removed outlier: 6.576A pdb=" N ASNLN 378 " --> pdb=" O GLYLN 361 " (cutoff:3.500A) Processing sheet with id= 75, first strand: chain 'LN' and resid 395 through 399 removed outlier: 3.748A pdb=" N CYSLN 395 " --> pdb=" O SERLN 408 " (cutoff:3.500A) removed outlier: 5.618A pdb=" N TRPLN 404 " --> pdb=" O SERLN 399 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N SERLN 403 " --> pdb=" O LEULN 418 " (cutoff:3.500A) removed outlier: 4.151A pdb=" N ARGLN 412 " --> pdb=" O THRLN 409 " (cutoff:3.500A) Processing sheet with id= 76, first strand: chain 'LN' and resid 442 through 446 removed outlier: 3.692A pdb=" N GLNLN 442 " --> pdb=" O ALALN 455 " (cutoff:3.500A) removed outlier: 6.644A pdb=" N LYSLN 451 " --> pdb=" O SERLN 446 " (cutoff:3.500A) removed outlier: 4.066A pdb=" N THRLN 450 " --> pdb=" O LEULN 466 " (cutoff:3.500A) removed outlier: 5.040A pdb=" N ALALN 460 " --> pdb=" O SERLN 456 " (cutoff:3.500A) removed outlier: 6.672A pdb=" N ILELN 463 " --> pdb=" O LEULN 474 " (cutoff:3.500A) Processing sheet with id= 77, first strand: chain 'LN' and resid 488 through 493 removed outlier: 4.444A pdb=" N LEULN 489 " --> pdb=" O SERLN 502 " (cutoff:3.500A) removed outlier: 5.484A pdb=" N TRPLN 498 " --> pdb=" O SERLN 493 " (cutoff:3.500A) removed outlier: 7.719A pdb=" N ASNLN 497 " --> pdb=" O VALLN 513 " (cutoff:3.500A) removed outlier: 6.784A pdb=" N VALLN 510 " --> pdb=" O HISLN 519 " (cutoff:3.500A) removed outlier: 3.604A pdb=" N LYSLN 517 " --> pdb=" O ASNLN 512 " (cutoff:3.500A) Processing sheet with id= 78, first strand: chain 'LN' and resid 531 through 536 removed outlier: 4.304A pdb=" N ASNLN 540 " --> pdb=" O ALALN 535 " (cutoff:3.500A) Processing sheet with id= 79, first strand: chain 'LN' and resid 584 through 588 removed outlier: 3.689A pdb=" N HISLN 585 " --> pdb=" O HISLN 599 " (cutoff:3.500A) removed outlier: 9.296A pdb=" N METLN 594 " --> pdb=" O LYSLN 609 " (cutoff:3.500A) removed outlier: 4.083A pdb=" N LYSLN 609 " --> pdb=" O METLN 594 " (cutoff:3.500A) removed outlier: 4.020A pdb=" N METLN 603 " --> pdb=" O ASPLN 600 " (cutoff:3.500A) removed outlier: 5.499A pdb=" N ALALN 640 " --> pdb=" O ASPLN 608 " (cutoff:3.500A) Processing sheet with id= 80, first strand: chain 'LN' and resid 81 through 85 removed outlier: 8.632A pdb=" N GLYLN 81 " --> pdb=" O ALALN 99 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N TYRLN 95 " --> pdb=" O GLULN 85 " (cutoff:3.500A) Processing sheet with id= 81, first strand: chain 'LN' and resid 259 through 263 removed outlier: 3.677A pdb=" N LYSLN 281 " --> pdb=" O HISLN 262 " (cutoff:3.500A) Processing sheet with id= 82, first strand: chain 'LN' and resid 353 through 357 No H-bonds generated for sheet with id= 82 Processing sheet with id= 83, first strand: chain 'LN' and resid 459 through 463 removed outlier: 7.546A pdb=" N GLYLN 459 " --> pdb=" O PROLN 479 " (cutoff:3.500A) removed outlier: 3.526A pdb=" N HISLN 475 " --> pdb=" O ILELN 463 " (cutoff:3.500A) Processing sheet with id= 84, first strand: chain 'LO' and resid 5 through 8 removed outlier: 6.961A pdb=" N ILELO 727 " --> pdb=" O SERLO 8 " (cutoff:3.500A) removed outlier: 8.460A pdb=" N ARGLO 715 " --> pdb=" O LEULO 730 " (cutoff:3.500A) removed outlier: 5.911A pdb=" N CYSLO 716 " --> pdb=" O SERLO 711 " (cutoff:3.500A) Processing sheet with id= 85, first strand: chain 'LO' and resid 20 through 23 removed outlier: 5.806A pdb=" N SERLO 28 " --> pdb=" O THRLO 23 " (cutoff:3.500A) removed outlier: 5.382A pdb=" N VALLO 37 " --> pdb=" O LEULO 50 " (cutoff:3.500A) Processing sheet with id= 86, first strand: chain 'LO' and resid 60 through 64 removed outlier: 5.680A pdb=" N LEULO 69 " --> pdb=" O SERLO 64 " (cutoff:3.500A) removed outlier: 5.364A pdb=" N GLYLO 77 " --> pdb=" O PHELO 95 " (cutoff:3.500A) Processing sheet with id= 87, first strand: chain 'LO' and resid 102 through 105 removed outlier: 5.453A pdb=" N LYSLO 110 " --> pdb=" O SERLO 105 " (cutoff:3.500A) removed outlier: 7.136A pdb=" N ARGLO 109 " --> pdb=" O ALALO 124 " (cutoff:3.500A) Processing sheet with id= 88, first strand: chain 'LO' and resid 147 through 151 removed outlier: 4.582A pdb=" N SERLO 167 " --> pdb=" O SERLO 163 " (cutoff:3.500A) removed outlier: 3.713A pdb=" N GLYLO 172 " --> pdb=" O ILELO 180 " (cutoff:3.500A) removed outlier: 7.530A pdb=" N ILELO 180 " --> pdb=" O GLYLO 172 " (cutoff:3.500A) Processing sheet with id= 89, first strand: chain 'LO' and resid 193 through 197 removed outlier: 3.765A pdb=" N ALALO 193 " --> pdb=" O LEULO 206 " (cutoff:3.500A) removed outlier: 6.659A pdb=" N ASPLO 202 " --> pdb=" O GLULO 197 " (cutoff:3.500A) removed outlier: 6.811A pdb=" N METLO 214 " --> pdb=" O LEULO 277 " (cutoff:3.500A) Processing sheet with id= 90, first strand: chain 'LO' and resid 293 through 298 removed outlier: 4.463A pdb=" N HISLO 324 " --> pdb=" O LEULO 314 " (cutoff:3.500A) Processing sheet with id= 91, first strand: chain 'LO' and resid 335 through 339 removed outlier: 3.739A pdb=" N SERLO 335 " --> pdb=" O GLYLO 348 " (cutoff:3.500A) removed outlier: 6.133A pdb=" N TRPLO 344 " --> pdb=" O ASNLO 339 " (cutoff:3.500A) removed outlier: 6.721A pdb=" N VALLO 357 " --> pdb=" O VALLO 366 " (cutoff:3.500A) Processing sheet with id= 92, first strand: chain 'LO' and resid 378 through 382 removed outlier: 4.252A pdb=" N GLYLO 391 " --> pdb=" O ALALO 378 " (cutoff:3.500A) removed outlier: 5.823A pdb=" N TYRLO 387 " --> pdb=" O SERLO 382 " (cutoff:3.500A) removed outlier: 3.847A pdb=" N VALLO 409 " --> pdb=" O VALLO 399 " (cutoff:3.500A) Processing sheet with id= 93, first strand: chain 'LO' and resid 420 through 424 removed outlier: 5.660A pdb=" N VALLO 429 " --> pdb=" O THRLO 424 " (cutoff:3.500A) removed outlier: 4.097A pdb=" N THRLO 438 " --> pdb=" O SERLO 434 " (cutoff:3.500A) removed outlier: 3.716A pdb=" N ARGLO 451 " --> pdb=" O ALALO 441 " (cutoff:3.500A) Processing sheet with id= 94, first strand: chain 'LO' and resid 463 through 467 removed outlier: 4.107A pdb=" N CYSLO 463 " --> pdb=" O GLYLO 476 " (cutoff:3.500A) removed outlier: 3.687A pdb=" N GLYLO 476 " --> pdb=" O CYSLO 463 " (cutoff:3.500A) removed outlier: 5.930A pdb=" N ILELO 472 " --> pdb=" O ASPLO 467 " (cutoff:3.500A) Processing sheet with id= 95, first strand: chain 'LO' and resid 505 through 510 removed outlier: 3.592A pdb=" N GLYLO 506 " --> pdb=" O ALALO 519 " (cutoff:3.500A) removed outlier: 4.601A pdb=" N VALLO 515 " --> pdb=" O ASNLO 510 " (cutoff:3.500A) removed outlier: 3.961A pdb=" N THRLO 524 " --> pdb=" O SERLO 520 " (cutoff:3.500A) Processing sheet with id= 96, first strand: chain 'LO' and resid 548 through 552 removed outlier: 3.876A pdb=" N ALALO 548 " --> pdb=" O ALALO 561 " (cutoff:3.500A) removed outlier: 5.879A pdb=" N GLULO 557 " --> pdb=" O ARGLO 552 " (cutoff:3.500A) Processing sheet with id= 97, first strand: chain 'LO' and resid 609 through 614 removed outlier: 6.259A pdb=" N SERLO 619 " --> pdb=" O SERLO 614 " (cutoff:3.500A) removed outlier: 6.881A pdb=" N ILELO 631 " --> pdb=" O METLO 640 " (cutoff:3.500A) Processing sheet with id= 98, first strand: chain 'LO' and resid 210 through 214 removed outlier: 8.140A pdb=" N GLYLO 210 " --> pdb=" O PHELO 282 " (cutoff:3.500A) removed outlier: 4.004A pdb=" N ALALO 278 " --> pdb=" O METLO 214 " (cutoff:3.500A) Processing sheet with id= 99, first strand: chain 'LO' and resid 353 through 357 removed outlier: 4.337A pdb=" N GLYLO 353 " --> pdb=" O GLYLO 371 " (cutoff:3.500A) removed outlier: 3.509A pdb=" N GLYLO 371 " --> pdb=" O GLYLO 353 " (cutoff:3.500A) removed outlier: 3.737A pdb=" N LEULO 367 " --> pdb=" O VALLO 357 " (cutoff:3.500A) Processing sheet with id=100, first strand: chain 'LO' and resid 627 through 631 No H-bonds generated for sheet with id=100 Processing sheet with id=101, first strand: chain 'LQ' and resid 9 through 13 removed outlier: 4.248A pdb=" N ARGLQ 9 " --> pdb=" O THRLQ 705 " (cutoff:3.500A) removed outlier: 6.992A pdb=" N LEULQ 701 " --> pdb=" O SERLQ 13 " (cutoff:3.500A) removed outlier: 3.522A pdb=" N ARGLQ 700 " --> pdb=" O SERLQ 692 " (cutoff:3.500A) removed outlier: 7.480A pdb=" N ASPLQ 688 " --> pdb=" O ARGLQ 704 " (cutoff:3.500A) removed outlier: 5.808A pdb=" N TYRLQ 689 " --> pdb=" O SERLQ 684 " (cutoff:3.500A) removed outlier: 3.726A pdb=" N CYSLQ 680 " --> pdb=" O SERLQ 693 " (cutoff:3.500A) Processing sheet with id=102, first strand: chain 'LQ' and resid 26 through 29 removed outlier: 4.585A pdb=" N TYRLQ 38 " --> pdb=" O VALLQ 29 " (cutoff:3.500A) Processing sheet with id=103, first strand: chain 'LQ' and resid 70 through 74 removed outlier: 3.677A pdb=" N CYSLQ 70 " --> pdb=" O GLYLQ 83 " (cutoff:3.500A) removed outlier: 5.529A pdb=" N HISLQ 79 " --> pdb=" O SERLQ 74 " (cutoff:3.500A) removed outlier: 8.773A pdb=" N LEULQ 78 " --> pdb=" O LEULQ 94 " (cutoff:3.500A) removed outlier: 4.630A pdb=" N SERLQ 88 " --> pdb=" O TYRLQ 84 " (cutoff:3.500A) Processing sheet with id=104, first strand: chain 'LQ' and resid 112 through 115 removed outlier: 7.810A pdb=" N GLYLQ 120 " --> pdb=" O VALLQ 136 " (cutoff:3.500A) removed outlier: 3.506A pdb=" N ILELQ 132 " --> pdb=" O SERLQ 124 " (cutoff:3.500A) removed outlier: 6.895A pdb=" N VALLQ 133 " --> pdb=" O LEULQ 142 " (cutoff:3.500A) Processing sheet with id=105, first strand: chain 'LQ' and resid 154 through 158 removed outlier: 3.592A pdb=" N LEULQ 163 " --> pdb=" O LEULQ 158 " (cutoff:3.500A) removed outlier: 4.021A pdb=" N LYSLQ 185 " --> pdb=" O TRPLQ 175 " (cutoff:3.500A) Processing sheet with id=106, first strand: chain 'LQ' and resid 196 through 200 removed outlier: 5.617A pdb=" N LYSLQ 204 " --> pdb=" O ILELQ 220 " (cutoff:3.500A) Processing sheet with id=107, first strand: chain 'LQ' and resid 353 through 356 removed outlier: 3.669A pdb=" N VALLQ 356 " --> pdb=" O LEULQ 305 " (cutoff:3.500A) removed outlier: 4.831A pdb=" N LEULQ 305 " --> pdb=" O VALLQ 356 " (cutoff:3.500A) removed outlier: 6.331A pdb=" N SERLQ 301 " --> pdb=" O THRLQ 361 " (cutoff:3.500A) removed outlier: 4.185A pdb=" N THRLQ 361 " --> pdb=" O SERLQ 301 " (cutoff:3.500A) Processing sheet with id=108, first strand: chain 'LQ' and resid 366 through 372 removed outlier: 3.711A pdb=" N SERLQ 367 " --> pdb=" O LEULQ 383 " (cutoff:3.500A) Processing sheet with id=109, first strand: chain 'LQ' and resid 420 through 424 removed outlier: 3.548A pdb=" N THRLQ 420 " --> pdb=" O ALALQ 433 " (cutoff:3.500A) removed outlier: 6.425A pdb=" N ALALQ 429 " --> pdb=" O SERLQ 424 " (cutoff:3.500A) removed outlier: 4.085A pdb=" N ARGLQ 450 " --> pdb=" O ILELQ 440 " (cutoff:3.500A) Processing sheet with id=110, first strand: chain 'LQ' and resid 458 through 462 removed outlier: 4.108A pdb=" N CYSLQ 459 " --> pdb=" O GLYLQ 472 " (cutoff:3.500A) removed outlier: 3.509A pdb=" N VALLQ 470 " --> pdb=" O PHELQ 461 " (cutoff:3.500A) removed outlier: 8.949A pdb=" N ARGLQ 467 " --> pdb=" O LEULQ 483 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N ILELQ 471 " --> pdb=" O GLNLQ 479 " (cutoff:3.500A) removed outlier: 3.683A pdb=" N GLNLQ 479 " --> pdb=" O ILELQ 471 " (cutoff:3.500A) removed outlier: 4.941A pdb=" N LYSLQ 477 " --> pdb=" O THRLQ 473 " (cutoff:3.500A) Processing sheet with id=111, first strand: chain 'LQ' and resid 501 through 504 removed outlier: 6.863A pdb=" N PHELQ 522 " --> pdb=" O THRLQ 543 " (cutoff:3.500A) Processing sheet with id=112, first strand: chain 'LQ' and resid 554 through 558 removed outlier: 3.942A pdb=" N CYSLQ 554 " --> pdb=" O SERLQ 567 " (cutoff:3.500A) removed outlier: 6.014A pdb=" N LEULQ 563 " --> pdb=" O SERLQ 558 " (cutoff:3.500A) removed outlier: 7.868A pdb=" N LYSLQ 562 " --> pdb=" O VALLQ 578 " (cutoff:3.500A) removed outlier: 3.601A pdb=" N LEULQ 585 " --> pdb=" O ILELQ 575 " (cutoff:3.500A) Processing sheet with id=113, first strand: chain 'LQ' and resid 596 through 600 removed outlier: 6.038A pdb=" N LEULQ 605 " --> pdb=" O SERLQ 600 " (cutoff:3.500A) removed outlier: 7.920A pdb=" N ALALQ 604 " --> pdb=" O LEULQ 620 " (cutoff:3.500A) removed outlier: 6.806A pdb=" N ILELQ 617 " --> pdb=" O HISLQ 626 " (cutoff:3.500A) removed outlier: 3.720A pdb=" N ASPLQ 624 " --> pdb=" O GLYLQ 619 " (cutoff:3.500A) Processing sheet with id=114, first strand: chain 'LQ' and resid 638 through 642 removed outlier: 5.167A pdb=" N LEULQ 647 " --> pdb=" O VALLQ 642 " (cutoff:3.500A) removed outlier: 8.222A pdb=" N HISLQ 646 " --> pdb=" O ALALQ 662 " (cutoff:3.500A) removed outlier: 6.862A pdb=" N GLNLQ 659 " --> pdb=" O ILELQ 668 " (cutoff:3.500A) Processing sheet with id=115, first strand: chain 'LQ' and resid 130 through 133 removed outlier: 3.648A pdb=" N TYRLQ 143 " --> pdb=" O VALLQ 133 " (cutoff:3.500A) Processing sheet with id=116, first strand: chain 'LQ' and resid 213 through 218 No H-bonds generated for sheet with id=116 Processing sheet with id=117, first strand: chain 'LQ' and resid 518 through 522 removed outlier: 6.126A pdb=" N LYSLQ 518 " --> pdb=" O LEULQ 548 " (cutoff:3.500A) removed outlier: 3.990A pdb=" N ARGLQ 544 " --> pdb=" O PHELQ 522 " (cutoff:3.500A) Processing sheet with id=118, first strand: chain 'LQ' and resid 614 through 617 removed outlier: 3.825A pdb=" N LYSLQ 627 " --> pdb=" O ILELQ 617 " (cutoff:3.500A) Processing sheet with id=119, first strand: chain 'LQ' and resid 656 through 659 removed outlier: 3.804A pdb=" N GLNLQ 669 " --> pdb=" O GLNLQ 659 " (cutoff:3.500A) Processing sheet with id=120, first strand: chain 'LS' and resid 237 through 241 removed outlier: 7.910A pdb=" N LYSLS 237 " --> pdb=" O HISLS 551 " (cutoff:3.500A) removed outlier: 5.098A pdb=" N METLS 547 " --> pdb=" O CYSLS 241 " (cutoff:3.500A) removed outlier: 4.668A pdb=" N LYSLS 544 " --> pdb=" O ASNLS 540 " (cutoff:3.500A) removed outlier: 5.995A pdb=" N GLYLS 534 " --> pdb=" O LEULS 550 " (cutoff:3.500A) removed outlier: 5.764A pdb=" N TYRLS 535 " --> pdb=" O SERLS 530 " (cutoff:3.500A) removed outlier: 3.814A pdb=" N THRLS 526 " --> pdb=" O GLYLS 539 " (cutoff:3.500A) Processing sheet with id=121, first strand: chain 'LS' and resid 255 through 260 removed outlier: 5.376A pdb=" N ILELS 265 " --> pdb=" O HISLS 260 " (cutoff:3.500A) removed outlier: 6.418A pdb=" N GLNLS 264 " --> pdb=" O VALLS 280 " (cutoff:3.500A) removed outlier: 6.899A pdb=" N LEULS 277 " --> pdb=" O ILELS 288 " (cutoff:3.500A) Processing sheet with id=122, first strand: chain 'LS' and resid 300 through 304 removed outlier: 6.143A pdb=" N GLULS 309 " --> pdb=" O SERLS 304 " (cutoff:3.500A) Processing sheet with id=123, first strand: chain 'LS' and resid 346 through 350 removed outlier: 5.000A pdb=" N SERLS 346 " --> pdb=" O ASNLS 359 " (cutoff:3.500A) removed outlier: 5.741A pdb=" N PHELS 355 " --> pdb=" O SERLS 350 " (cutoff:3.500A) removed outlier: 6.975A pdb=" N LEULS 367 " --> pdb=" O ILELS 376 " (cutoff:3.500A) removed outlier: 4.176A pdb=" N GLULS 374 " --> pdb=" O ALALS 369 " (cutoff:3.500A) Processing sheet with id=124, first strand: chain 'LS' and resid 387 through 391 removed outlier: 3.661A pdb=" N ALALS 387 " --> pdb=" O SERLS 400 " (cutoff:3.500A) removed outlier: 5.991A pdb=" N LYSLS 396 " --> pdb=" O SERLS 391 " (cutoff:3.500A) removed outlier: 8.624A pdb=" N LYSLS 395 " --> pdb=" O VALLS 411 " (cutoff:3.500A) removed outlier: 4.477A pdb=" N GLULS 405 " --> pdb=" O SERLS 401 " (cutoff:3.500A) removed outlier: 3.753A pdb=" N ASNLS 418 " --> pdb=" O VALLS 408 " (cutoff:3.500A) Processing sheet with id=125, first strand: chain 'LS' and resid 430 through 434 removed outlier: 4.269A pdb=" N SERLS 430 " --> pdb=" O GLYLS 443 " (cutoff:3.500A) removed outlier: 5.839A pdb=" N TYRLS 439 " --> pdb=" O SERLS 434 " (cutoff:3.500A) removed outlier: 3.964A pdb=" N LYSLS 467 " --> pdb=" O ILELS 451 " (cutoff:3.500A) Processing sheet with id=126, first strand: chain 'LS' and resid 478 through 482 removed outlier: 3.817A pdb=" N SERLS 478 " --> pdb=" O ALALS 491 " (cutoff:3.500A) removed outlier: 5.673A pdb=" N ILELS 487 " --> pdb=" O ASNLS 482 " (cutoff:3.500A) removed outlier: 7.756A pdb=" N GLULS 486 " --> pdb=" O LEULS 504 " (cutoff:3.500A) removed outlier: 4.713A pdb=" N ALALS 498 " --> pdb=" O SERLS 492 " (cutoff:3.500A) removed outlier: 5.282A pdb=" N LEULS 501 " --> pdb=" O PHELS 510 " (cutoff:3.500A) Processing sheet with id=127, first strand: chain 'LS' and resid 273 through 277 removed outlier: 5.604A pdb=" N ASNLS 273 " --> pdb=" O LEULS 293 " (cutoff:3.500A) Processing sheet with id=128, first strand: chain 'LS' and resid 363 through 367 removed outlier: 4.630A pdb=" N GLYLS 363 " --> pdb=" O ILELS 381 " (cutoff:3.500A) removed outlier: 3.734A pdb=" N GLYLS 377 " --> pdb=" O LEULS 367 " (cutoff:3.500A) Processing sheet with id=129, first strand: chain 'LT' and resid 85 through 89 removed outlier: 7.743A pdb=" N PHELT 96 " --> pdb=" O VALLT 111 " (cutoff:3.500A) removed outlier: 6.868A pdb=" N THRLT 108 " --> pdb=" O VALLT 117 " (cutoff:3.500A) removed outlier: 3.777A pdb=" N SERLT 115 " --> pdb=" O ASPLT 110 " (cutoff:3.500A) Processing sheet with id=130, first strand: chain 'LT' and resid 129 through 133 removed outlier: 3.549A pdb=" N CYSLT 129 " --> pdb=" O ALALT 140 " (cutoff:3.500A) removed outlier: 4.639A pdb=" N LEULT 136 " --> pdb=" O ASPLT 133 " (cutoff:3.500A) removed outlier: 3.742A pdb=" N HISLT 156 " --> pdb=" O ALALT 147 " (cutoff:3.500A) Processing sheet with id=131, first strand: chain 'LT' and resid 167 through 171 removed outlier: 3.673A pdb=" N PHELT 167 " --> pdb=" O VALLT 178 " (cutoff:3.500A) removed outlier: 6.761A pdb=" N ILELT 186 " --> pdb=" O TYRLT 195 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N GLULT 193 " --> pdb=" O HISLT 188 " (cutoff:3.500A) Processing sheet with id=132, first strand: chain 'LT' and resid 209 through 212 removed outlier: 3.766A pdb=" N ALALT 209 " --> pdb=" O GLYLT 223 " (cutoff:3.500A) removed outlier: 8.128A pdb=" N ASNLT 218 " --> pdb=" O ASNLT 233 " (cutoff:3.500A) removed outlier: 4.339A pdb=" N ASNLT 233 " --> pdb=" O ASNLT 218 " (cutoff:3.500A) removed outlier: 6.816A pdb=" N ILELT 220 " --> pdb=" O LEULT 231 " (cutoff:3.500A) removed outlier: 4.795A pdb=" N LEULT 231 " --> pdb=" O ILELT 220 " (cutoff:3.500A) removed outlier: 6.608A pdb=" N LEULT 222 " --> pdb=" O LEULT 229 " (cutoff:3.500A) removed outlier: 4.510A pdb=" N LEULT 229 " --> pdb=" O LEULT 222 " (cutoff:3.500A) removed outlier: 5.915A pdb=" N SERLT 224 " --> pdb=" O GLYLT 227 " (cutoff:3.500A) removed outlier: 3.675A pdb=" N TYRLT 241 " --> pdb=" O LEULT 231 " (cutoff:3.500A) Processing sheet with id=133, first strand: chain 'LT' and resid 252 through 256 removed outlier: 3.548A pdb=" N ALALT 252 " --> pdb=" O GLYLT 265 " (cutoff:3.500A) removed outlier: 5.630A pdb=" N VALLT 261 " --> pdb=" O ALALT 256 " (cutoff:3.500A) removed outlier: 8.450A pdb=" N ASPLT 260 " --> pdb=" O ASNLT 275 " (cutoff:3.500A) removed outlier: 4.507A pdb=" N ASNLT 275 " --> pdb=" O ASPLT 260 " (cutoff:3.500A) removed outlier: 6.413A pdb=" N VALLT 262 " --> pdb=" O ILELT 273 " (cutoff:3.500A) removed outlier: 4.426A pdb=" N ILELT 273 " --> pdb=" O VALLT 262 " (cutoff:3.500A) removed outlier: 6.212A pdb=" N ILELT 264 " --> pdb=" O VALLT 271 " (cutoff:3.500A) removed outlier: 4.332A pdb=" N VALLT 271 " --> pdb=" O ILELT 264 " (cutoff:3.500A) removed outlier: 6.319A pdb=" N LEULT 266 " --> pdb=" O GLYLT 269 " (cutoff:3.500A) removed outlier: 4.370A pdb=" N GLYLT 269 " --> pdb=" O GLNLT 287 " (cutoff:3.500A) removed outlier: 3.674A pdb=" N METLT 283 " --> pdb=" O ILELT 273 " (cutoff:3.500A) Processing sheet with id=134, first strand: chain 'LT' and resid 294 through 298 removed outlier: 4.444A pdb=" N SERLT 294 " --> pdb=" O GLYLT 308 " (cutoff:3.500A) removed outlier: 4.652A pdb=" N VALLT 304 " --> pdb=" O ARGLT 298 " (cutoff:3.500A) removed outlier: 6.106A pdb=" N METLT 305 " --> pdb=" O LEULT 316 " (cutoff:3.500A) removed outlier: 4.150A pdb=" N LEULT 316 " --> pdb=" O METLT 305 " (cutoff:3.500A) removed outlier: 6.579A pdb=" N ALALT 307 " --> pdb=" O ILELT 314 " (cutoff:3.500A) removed outlier: 4.799A pdb=" N ILELT 314 " --> pdb=" O ALALT 307 " (cutoff:3.500A) removed outlier: 6.351A pdb=" N SERLT 309 " --> pdb=" O GLYLT 312 " (cutoff:3.500A) removed outlier: 6.923A pdb=" N LEULT 316 " --> pdb=" O ILELT 325 " (cutoff:3.500A) Processing sheet with id=135, first strand: chain 'LT' and resid 339 through 342 removed outlier: 5.338A pdb=" N LEULT 347 " --> pdb=" O LEULT 342 " (cutoff:3.500A) removed outlier: 4.223A pdb=" N ALALT 356 " --> pdb=" O GLYLT 352 " (cutoff:3.500A) removed outlier: 6.809A pdb=" N ILELT 359 " --> pdb=" O LEULT 372 " (cutoff:3.500A) Processing sheet with id=136, first strand: chain 'LT' and resid 384 through 387 removed outlier: 3.515A pdb=" N ASNLT 384 " --> pdb=" O ALALT 398 " (cutoff:3.500A) removed outlier: 7.384A pdb=" N GLNLT 393 " --> pdb=" O THRLT 409 " (cutoff:3.500A) removed outlier: 8.527A pdb=" N GLYLT 402 " --> pdb=" O HISLT 420 " (cutoff:3.500A) removed outlier: 4.645A pdb=" N HISLT 420 " --> pdb=" O GLYLT 402 " (cutoff:3.500A) removed outlier: 5.722A pdb=" N LEULT 404 " --> pdb=" O LEULT 418 " (cutoff:3.500A) Processing sheet with id=137, first strand: chain 'LT' and resid 446 through 450 removed outlier: 3.548A pdb=" N LYSLT 446 " --> pdb=" O CYSLT 463 " (cutoff:3.500A) removed outlier: 5.339A pdb=" N GLYLT 459 " --> pdb=" O GLULT 450 " (cutoff:3.500A) Processing sheet with id=138, first strand: chain 'LT' and resid 499 through 503 removed outlier: 4.179A pdb=" N ALALT 499 " --> pdb=" O GLYLT 512 " (cutoff:3.500A) removed outlier: 5.899A pdb=" N PHELT 508 " --> pdb=" O THRLT 503 " (cutoff:3.500A) removed outlier: 7.904A pdb=" N ASNLT 507 " --> pdb=" O METLT 523 " (cutoff:3.500A) removed outlier: 4.253A pdb=" N THRLT 517 " --> pdb=" O LEULT 513 " (cutoff:3.500A) removed outlier: 5.930A pdb=" N VALLT 520 " --> pdb=" O ARGLT 529 " (cutoff:3.500A) removed outlier: 4.065A pdb=" N ILELT 527 " --> pdb=" O ASNLT 522 " (cutoff:3.500A) Processing sheet with id=139, first strand: chain 'LT' and resid 544 through 548 removed outlier: 4.372A pdb=" N GLYLT 544 " --> pdb=" O THRLT 557 " (cutoff:3.500A) removed outlier: 5.834A pdb=" N LEULT 553 " --> pdb=" O ASPLT 548 " (cutoff:3.500A) removed outlier: 6.368A pdb=" N THRLT 554 " --> pdb=" O PHELT 565 " (cutoff:3.500A) removed outlier: 4.508A pdb=" N PHELT 565 " --> pdb=" O THRLT 554 " (cutoff:3.500A) removed outlier: 6.814A pdb=" N THRLT 556 " --> pdb=" O LEULT 563 " (cutoff:3.500A) removed outlier: 4.820A pdb=" N LEULT 563 " --> pdb=" O THRLT 556 " (cutoff:3.500A) removed outlier: 6.466A pdb=" N GLYLT 558 " --> pdb=" O GLYLT 561 " (cutoff:3.500A) removed outlier: 6.088A pdb=" N GLYLT 561 " --> pdb=" O LEULT 579 " (cutoff:3.500A) removed outlier: 3.708A pdb=" N HISLT 575 " --> pdb=" O PHELT 565 " (cutoff:3.500A) Processing sheet with id=140, first strand: chain 'LT' and resid 585 through 590 removed outlier: 3.602A pdb=" N ILELT 585 " --> pdb=" O ALALT 598 " (cutoff:3.500A) removed outlier: 8.845A pdb=" N GLYLT 593 " --> pdb=" O ILELT 609 " (cutoff:3.500A) removed outlier: 4.271A pdb=" N SERLT 603 " --> pdb=" O LEULT 599 " (cutoff:3.500A) removed outlier: 6.714A pdb=" N VALLT 606 " --> pdb=" O VALLT 615 " (cutoff:3.500A) removed outlier: 3.675A pdb=" N LYSLT 613 " --> pdb=" O ASPLT 608 " (cutoff:3.500A) Processing sheet with id=141, first strand: chain 'LT' and resid 627 through 631 removed outlier: 5.552A pdb=" N TRPLT 636 " --> pdb=" O SERLT 631 " (cutoff:3.500A) removed outlier: 8.208A pdb=" N ARGLT 635 " --> pdb=" O LEULT 651 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N THRLT 648 " --> pdb=" O ILELT 657 " (cutoff:3.500A) removed outlier: 3.561A pdb=" N CYSLT 655 " --> pdb=" O ASPLT 650 " (cutoff:3.500A) Processing sheet with id=142, first strand: chain 'LT' and resid 668 through 672 removed outlier: 6.058A pdb=" N PHELT 677 " --> pdb=" O SERLT 672 " (cutoff:3.500A) Processing sheet with id=143, first strand: chain 'LT' and resid 182 through 186 removed outlier: 5.163A pdb=" N GLYLT 182 " --> pdb=" O PHELT 200 " (cutoff:3.500A) removed outlier: 3.551A pdb=" N LEULT 196 " --> pdb=" O ILELT 186 " (cutoff:3.500A) Processing sheet with id=144, first strand: chain 'LT' and resid 313 through 316 Processing sheet with id=145, first strand: chain 'LT' and resid 355 through 359 removed outlier: 6.188A pdb=" N ASNLT 355 " --> pdb=" O GLYLT 377 " (cutoff:3.500A) removed outlier: 3.557A pdb=" N ARGLT 373 " --> pdb=" O ILELT 359 " (cutoff:3.500A) Processing sheet with id=146, first strand: chain 'LT' and resid 603 through 606 Processing sheet with id=147, first strand: chain 'LT' and resid 644 through 648 removed outlier: 5.810A pdb=" N CYSLT 644 " --> pdb=" O LEULT 662 " (cutoff:3.500A) removed outlier: 3.537A pdb=" N ASPLT 658 " --> pdb=" O THRLT 648 " (cutoff:3.500A) Processing sheet with id=148, first strand: chain 'LU' and resid 59 through 63 removed outlier: 3.716A pdb=" N ALALU 60 " --> pdb=" O LEULU 351 " (cutoff:3.500A) removed outlier: 7.621A pdb=" N LYSLU 338 " --> pdb=" O ALALU 354 " (cutoff:3.500A) removed outlier: 5.613A pdb=" N TYRLU 339 " --> pdb=" O THRLU 334 " (cutoff:3.500A) Processing sheet with id=149, first strand: chain 'LU' and resid 70 through 75 removed outlier: 6.267A pdb=" N THRLU 81 " --> pdb=" O HISLU 75 " (cutoff:3.500A) removed outlier: 4.381A pdb=" N GLULU 90 " --> pdb=" O ALALU 86 " (cutoff:3.500A) removed outlier: 8.228A pdb=" N GLYLU 89 " --> pdb=" O ALALU 107 " (cutoff:3.500A) removed outlier: 3.690A pdb=" N ARGLU 103 " --> pdb=" O ILELU 93 " (cutoff:3.500A) Processing sheet with id=150, first strand: chain 'LU' and resid 114 through 118 removed outlier: 3.505A pdb=" N GLYLU 114 " --> pdb=" O VALLU 127 " (cutoff:3.500A) removed outlier: 5.400A pdb=" N SERLU 123 " --> pdb=" O ARGLU 118 " (cutoff:3.500A) removed outlier: 7.755A pdb=" N THRLU 122 " --> pdb=" O METLU 138 " (cutoff:3.500A) removed outlier: 3.501A pdb=" N PHELU 124 " --> pdb=" O TRPLU 136 " (cutoff:3.500A) removed outlier: 5.608A pdb=" N LYSLU 131 " --> pdb=" O GLYLU 155 " (cutoff:3.500A) Processing sheet with id=151, first strand: chain 'LU' and resid 161 through 165 removed outlier: 5.178A pdb=" N VALLU 170 " --> pdb=" O HISLU 165 " (cutoff:3.500A) Processing sheet with id=152, first strand: chain 'LU' and resid 177 through 181 removed outlier: 3.574A pdb=" N CYSLU 190 " --> pdb=" O ILELU 180 " (cutoff:3.500A) Processing sheet with id=153, first strand: chain 'LU' and resid 201 through 205 removed outlier: 3.776A pdb=" N SERLU 201 " --> pdb=" O CYSLU 215 " (cutoff:3.500A) removed outlier: 3.509A pdb=" N ASNLU 205 " --> pdb=" O LEULU 211 " (cutoff:3.500A) removed outlier: 5.574A pdb=" N LEULU 211 " --> pdb=" O ASNLU 205 " (cutoff:3.500A) removed outlier: 8.130A pdb=" N PHELU 210 " --> pdb=" O METLU 226 " (cutoff:3.500A) removed outlier: 3.702A pdb=" N LEULU 212 " --> pdb=" O TYRLU 224 " (cutoff:3.500A) removed outlier: 4.393A pdb=" N ASNLU 220 " --> pdb=" O ALALU 216 " (cutoff:3.500A) removed outlier: 6.713A pdb=" N LEULU 223 " --> pdb=" O LEULU 232 " (cutoff:3.500A) removed outlier: 3.601A pdb=" N THRLU 230 " --> pdb=" O ASPLU 225 " (cutoff:3.500A) Processing sheet with id=154, first strand: chain 'LU' and resid 243 through 247 removed outlier: 3.839A pdb=" N THRLU 243 " --> pdb=" O ALALU 257 " (cutoff:3.500A) removed outlier: 5.806A pdb=" N ILELU 253 " --> pdb=" O ASNLU 247 " (cutoff:3.500A) removed outlier: 8.625A pdb=" N PHELU 252 " --> pdb=" O METLU 268 " (cutoff:3.500A) removed outlier: 3.883A pdb=" N ASNLU 262 " --> pdb=" O ASNLU 258 " (cutoff:3.500A) removed outlier: 3.504A pdb=" N METLU 276 " --> pdb=" O THRLU 265 " (cutoff:3.500A) Processing sheet with id=155, first strand: chain 'LU' and resid 287 through 291 removed outlier: 3.763A pdb=" N ASPLU 287 " --> pdb=" O ALALU 300 " (cutoff:3.500A) removed outlier: 5.312A pdb=" N GLULU 296 " --> pdb=" O SERLU 291 " (cutoff:3.500A) removed outlier: 3.764A pdb=" N GLULU 318 " --> pdb=" O ILELU 308 " (cutoff:3.500A) Processing sheet with id=156, first strand: chain 'LU' and resid 441 through 445 removed outlier: 3.735A pdb=" N ALALU 442 " --> pdb=" O ILELU 236 " (cutoff:3.500A) removed outlier: 6.454A pdb=" N LYSLU 234 " --> pdb=" O VALLU 444 " (cutoff:3.500A) Processing sheet with id=157, first strand: chain 'LU' and resid 219 through 223 removed outlier: 6.149A pdb=" N ARGLU 219 " --> pdb=" O LEULU 237 " (cutoff:3.500A) Processing sheet with id=158, first strand: chain 'LW' and resid 189 through 192 removed outlier: 3.893A pdb=" N PHELW 189 " --> pdb=" O SERLW 472 " (cutoff:3.500A) removed outlier: 5.106A pdb=" N ASPLW 460 " --> pdb=" O VALLW 475 " (cutoff:3.500A) Processing sheet with id=159, first strand: chain 'LW' and resid 199 through 204 removed outlier: 6.012A pdb=" N HISLW 209 " --> pdb=" O SERLW 204 " (cutoff:3.500A) removed outlier: 3.854A pdb=" N HISLW 218 " --> pdb=" O GLYLW 214 " (cutoff:3.500A) removed outlier: 4.905A pdb=" N GLYLW 217 " --> pdb=" O VALLW 235 " (cutoff:3.500A) Processing sheet with id=160, first strand: chain 'LW' and resid 241 through 245 removed outlier: 3.535A pdb=" N ASPLW 241 " --> pdb=" O ALALW 254 " (cutoff:3.500A) removed outlier: 4.442A pdb=" N LEULW 250 " --> pdb=" O LEULW 245 " (cutoff:3.500A) removed outlier: 4.522A pdb=" N TRPLW 258 " --> pdb=" O GLNLW 255 " (cutoff:3.500A) Processing sheet with id=161, first strand: chain 'LW' and resid 279 through 285 removed outlier: 8.198A pdb=" N PHELW 288 " --> pdb=" O ASPLW 303 " (cutoff:3.500A) removed outlier: 4.393A pdb=" N ASPLW 303 " --> pdb=" O PHELW 288 " (cutoff:3.500A) removed outlier: 6.345A pdb=" N LEULW 290 " --> pdb=" O TYRLW 301 " (cutoff:3.500A) removed outlier: 4.347A pdb=" N TYRLW 301 " --> pdb=" O LEULW 290 " (cutoff:3.500A) removed outlier: 6.416A pdb=" N THRLW 292 " --> pdb=" O LEULW 299 " (cutoff:3.500A) removed outlier: 4.376A pdb=" N LEULW 299 " --> pdb=" O THRLW 292 " (cutoff:3.500A) removed outlier: 6.456A pdb=" N SERLW 294 " --> pdb=" O GLYLW 297 " (cutoff:3.500A) removed outlier: 8.755A pdb=" N GLYLW 297 " --> pdb=" O ALALW 315 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ALALW 311 " --> pdb=" O TYRLW 301 " (cutoff:3.500A) Processing sheet with id=162, first strand: chain 'LW' and resid 322 through 327 removed outlier: 4.464A pdb=" N VALLW 322 " --> pdb=" O GLYLW 335 " (cutoff:3.500A) removed outlier: 4.039A pdb=" N VALLW 331 " --> pdb=" O ASNLW 326 " (cutoff:3.500A) removed outlier: 4.258A pdb=" N THRLW 340 " --> pdb=" O HISLW 336 " (cutoff:3.500A) removed outlier: 8.141A pdb=" N GLYLW 339 " --> pdb=" O CYSLW 357 " (cutoff:3.500A) removed outlier: 3.818A pdb=" N ALALW 353 " --> pdb=" O LEULW 343 " (cutoff:3.500A) Processing sheet with id=163, first strand: chain 'LW' and resid 364 through 368 removed outlier: 3.530A pdb=" N SERLW 377 " --> pdb=" O ALALW 364 " (cutoff:3.500A) removed outlier: 5.961A pdb=" N TYRLW 373 " --> pdb=" O ASPLW 368 " (cutoff:3.500A) removed outlier: 6.589A pdb=" N THRLW 372 " --> pdb=" O LEULW 388 " (cutoff:3.500A) removed outlier: 6.024A pdb=" N HISLW 381 " --> pdb=" O LEULW 400 " (cutoff:3.500A) removed outlier: 3.559A pdb=" N SERLW 396 " --> pdb=" O ILELW 385 " (cutoff:3.500A) Processing sheet with id=164, first strand: chain 'LW' and resid 406 through 410 removed outlier: 3.570A pdb=" N HISLW 406 " --> pdb=" O GLYLW 418 " (cutoff:3.500A) removed outlier: 5.222A pdb=" N LEULW 414 " --> pdb=" O SERLW 410 " (cutoff:3.500A) removed outlier: 6.106A pdb=" N ASPLW 421 " --> pdb=" O LEULW 446 " (cutoff:3.500A) removed outlier: 3.526A pdb=" N LEULW 442 " --> pdb=" O ILELW 425 " (cutoff:3.500A) Processing sheet with id=165, first strand: chain 'NG' and resid 40 through 46 removed outlier: 6.481A pdb=" N ILENG 95 " --> pdb=" O GLYNG 127 " (cutoff:3.500A) Processing sheet with id=166, first strand: chain 'NJ' and resid 101 through 106 removed outlier: 5.030A pdb=" N GLYNJ 145 " --> pdb=" O GLNNJ 22 " (cutoff:3.500A) removed outlier: 6.271A pdb=" N LYSNJ 196 " --> pdb=" O ARGNJ 23 " (cutoff:3.500A) Processing sheet with id=167, first strand: chain 'NJ' and resid 340 through 344 removed outlier: 7.284A pdb=" N ASPNJ 340 " --> pdb=" O PHENJ 361 " (cutoff:3.500A) removed outlier: 3.522A pdb=" N ARGNJ 357 " --> pdb=" O ILENJ 344 " (cutoff:3.500A) removed outlier: 5.504A pdb=" N SERNJ 307 " --> pdb=" O ARGNJ 365 " (cutoff:3.500A) removed outlier: 4.275A pdb=" N SERNJ 313 " --> pdb=" O ILENJ 371 " (cutoff:3.500A) removed outlier: 4.560A pdb=" N SERNJ 278 " --> pdb=" O TYRNJ 405 " (cutoff:3.500A) removed outlier: 3.546A pdb=" N LEUNJ 465 " --> pdb=" O THRNJ 283 " (cutoff:3.500A) removed outlier: 4.101A pdb=" N ALANJ 285 " --> pdb=" O LEUNJ 465 " (cutoff:3.500A) Processing sheet with id=168, first strand: chain 'NJ' and resid 505 through 510 removed outlier: 3.871A pdb=" N GLUNJ 506 " --> pdb=" O LEUNJ 560 " (cutoff:3.500A) removed outlier: 4.728A pdb=" N LEUNJ 556 " --> pdb=" O VALNJ 510 " (cutoff:3.500A) removed outlier: 4.065A pdb=" N ALANJ 575 " --> pdb=" O LEUNJ 559 " (cutoff:3.500A) removed outlier: 6.806A pdb=" N GLNNJ 578 " --> pdb=" O VALNJ 627 " (cutoff:3.500A) removed outlier: 3.655A pdb=" N TYRNJ 708 " --> pdb=" O SERNJ 622 " (cutoff:3.500A) removed outlier: 4.705A pdb=" N SERNJ 712 " --> pdb=" O VALNJ 626 " (cutoff:3.500A) removed outlier: 6.846A pdb=" N ILENJ 747 " --> pdb=" O VALNJ 731 " (cutoff:3.500A) Processing sheet with id=169, first strand: chain 'NM' and resid 45 through 48 removed outlier: 4.186A pdb=" N GLYNM 45 " --> pdb=" O VALNM 33 " (cutoff:3.500A) Processing sheet with id=170, first strand: chain 'NM' and resid 65 through 69 removed outlier: 4.828A pdb=" N ARGNM 65 " --> pdb=" O THRNM 88 " (cutoff:3.500A) removed outlier: 9.272A pdb=" N HISNM 101 " --> pdb=" O METNM 217 " (cutoff:3.500A) removed outlier: 4.433A pdb=" N METNM 217 " --> pdb=" O HISNM 101 " (cutoff:3.500A) removed outlier: 8.226A pdb=" N ARGNM 213 " --> pdb=" O LEUNM 105 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N LYSNM 214 " --> pdb=" O PHENM 138 " (cutoff:3.500A) removed outlier: 7.173A pdb=" N LEUNM 134 " --> pdb=" O LEUNM 218 " (cutoff:3.500A) removed outlier: 5.583A pdb=" N THRNM 119 " --> pdb=" O THRNM 143 " (cutoff:3.500A) Processing sheet with id=171, first strand: chain 'NO' and resid 23 through 28 removed outlier: 6.328A pdb=" N ARGNO 23 " --> pdb=" O LEUNO 65 " (cutoff:3.500A) Processing sheet with id=172, first strand: chain 'NO' and resid 102 through 106 removed outlier: 6.740A pdb=" N VALNO 103 " --> pdb=" O LEUNO 126 " (cutoff:3.500A) Processing sheet with id=173, first strand: chain 'NQ' and resid 43 through 47 removed outlier: 6.114A pdb=" N PHENQ 32 " --> pdb=" O LYSNQ 82 " (cutoff:3.500A) Processing sheet with id=174, first strand: chain 'NT' and resid 138 through 142 removed outlier: 3.671A pdb=" N LEUNT 146 " --> pdb=" O CYSNT 141 " (cutoff:3.500A) Processing sheet with id=175, first strand: chain 'NW' and resid 57 through 61 removed outlier: 3.952A pdb=" N THRNW 57 " --> pdb=" O THRNW 70 " (cutoff:3.500A) removed outlier: 5.627A pdb=" N TYRNW 66 " --> pdb=" O SERNW 61 " (cutoff:3.500A) removed outlier: 8.194A pdb=" N GLNNW 65 " --> pdb=" O THRNW 82 " (cutoff:3.500A) removed outlier: 3.655A pdb=" N GLYNW 71 " --> pdb=" O ARGNW 76 " (cutoff:3.500A) removed outlier: 6.974A pdb=" N CYSNW 79 " --> pdb=" O LYSNW 88 " (cutoff:3.500A) Processing sheet with id=176, first strand: chain 'NW' and resid 99 through 103 removed outlier: 3.865A pdb=" N THRNW 99 " --> pdb=" O LEUNW 113 " (cutoff:3.500A) removed outlier: 6.931A pdb=" N LYSNW 109 " --> pdb=" O LEUNW 103 " (cutoff:3.500A) removed outlier: 4.089A pdb=" N TYRNW 118 " --> pdb=" O HISNW 114 " (cutoff:3.500A) removed outlier: 5.948A pdb=" N ARGNW 117 " --> pdb=" O ILENW 133 " (cutoff:3.500A) Processing sheet with id=177, first strand: chain 'NW' and resid 139 through 144 removed outlier: 8.164A pdb=" N CYSNW 147 " --> pdb=" O LEUNW 163 " (cutoff:3.500A) removed outlier: 7.528A pdb=" N SERNW 156 " --> pdb=" O THRNW 174 " (cutoff:3.500A) removed outlier: 3.732A pdb=" N LEUNW 172 " --> pdb=" O VALNW 158 " (cutoff:3.500A) Processing sheet with id=178, first strand: chain 'NW' and resid 181 through 186 removed outlier: 4.048A pdb=" N VALNW 181 " --> pdb=" O GLYNW 194 " (cutoff:3.500A) removed outlier: 3.776A pdb=" N LEUNW 190 " --> pdb=" O ASNNW 185 " (cutoff:3.500A) removed outlier: 6.813A pdb=" N PHENW 191 " --> pdb=" O CYSNW 202 " (cutoff:3.500A) removed outlier: 4.563A pdb=" N CYSNW 202 " --> pdb=" O PHENW 191 " (cutoff:3.500A) removed outlier: 6.614A pdb=" N THRNW 193 " --> pdb=" O VALNW 200 " (cutoff:3.500A) removed outlier: 4.915A pdb=" N VALNW 200 " --> pdb=" O THRNW 193 " (cutoff:3.500A) removed outlier: 6.306A pdb=" N THRNW 195 " --> pdb=" O GLYNW 198 " (cutoff:3.500A) removed outlier: 3.755A pdb=" N GLYNW 212 " --> pdb=" O CYSNW 202 " (cutoff:3.500A) Processing sheet with id=179, first strand: chain 'NW' and resid 234 through 239 removed outlier: 3.602A pdb=" N THRNW 243 " --> pdb=" O ASNNW 239 " (cutoff:3.500A) removed outlier: 9.060A pdb=" N LEUNW 242 " --> pdb=" O LEUNW 258 " (cutoff:3.500A) removed outlier: 3.792A pdb=" N GLNNW 252 " --> pdb=" O THRNW 248 " (cutoff:3.500A) removed outlier: 4.179A pdb=" N LEUNW 265 " --> pdb=" O LEUNW 255 " (cutoff:3.500A) Processing sheet with id=180, first strand: chain 'NW' and resid 277 through 282 removed outlier: 3.548A pdb=" N SERNW 277 " --> pdb=" O ALANW 290 " (cutoff:3.500A) Processing sheet with id=181, first strand: chain 'NW' and resid 316 through 320 removed outlier: 4.314A pdb=" N GLYNW 325 " --> pdb=" O ILENW 341 " (cutoff:3.500A) Processing sheet with id=182, first strand: chain 'NW' and resid 75 through 79 removed outlier: 3.845A pdb=" N PHENW 89 " --> pdb=" O CYSNW 79 " (cutoff:3.500A) Processing sheet with id=183, first strand: chain 'SA' and resid 49 through 53 removed outlier: 3.525A pdb=" N LEUSA 4 " --> pdb=" O LEUSA 19 " (cutoff:3.500A) removed outlier: 5.790A pdb=" N LEUSA 92 " --> pdb=" O LEUSA 3 " (cutoff:3.500A) Processing sheet with id=184, first strand: chain 'SB' and resid 1 through 7 removed outlier: 4.209A pdb=" N METSB 1 " --> pdb=" O VALSB 16 " (cutoff:3.500A) removed outlier: 3.560A pdb=" N HISSB 46 " --> pdb=" O ILESB 13 " (cutoff:3.500A) Processing sheet with id=185, first strand: chain 'SB' and resid 86 through 89 removed outlier: 3.809A pdb=" N LEUSB 87 " --> pdb=" O SERSB 105 " (cutoff:3.500A) Processing sheet with id=186, first strand: chain 'SC' and resid 122 through 126 Processing sheet with id=187, first strand: chain 'SC' and resid 209 through 215 removed outlier: 5.567A pdb=" N ASNSC 209 " --> pdb=" O GLYSC 185 " (cutoff:3.500A) removed outlier: 3.600A pdb=" N LEUSC 186 " --> pdb=" O ALASC 161 " (cutoff:3.500A) removed outlier: 3.517A pdb=" N VALSC 310 " --> pdb=" O GLUSC 295 " (cutoff:3.500A) Processing sheet with id=188, first strand: chain 'SD' and resid 87 through 90 removed outlier: 4.771A pdb=" N LEUSD 106 " --> pdb=" O TRPSD 137 " (cutoff:3.500A) Processing sheet with id=189, first strand: chain 'SD' and resid 209 through 215 removed outlier: 5.566A pdb=" N ASNSD 209 " --> pdb=" O GLYSD 185 " (cutoff:3.500A) removed outlier: 3.610A pdb=" N GLUSD 215 " --> pdb=" O GLUSD 191 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N GLYSD 258 " --> pdb=" O TYRSD 313 " (cutoff:3.500A) removed outlier: 6.635A pdb=" N VALSD 310 " --> pdb=" O GLNSD 294 " (cutoff:3.500A) Processing sheet with id=190, first strand: chain 'SD' and resid 295 through 299 removed outlier: 3.642A pdb=" N LEUSD 299 " --> pdb=" O HISSD 306 " (cutoff:3.500A) removed outlier: 6.287A pdb=" N HISSD 306 " --> pdb=" O LEUSD 299 " (cutoff:3.500A) Processing sheet with id=191, first strand: chain 'SE' and resid 34 through 37 removed outlier: 6.601A pdb=" N GLNSE 34 " --> pdb=" O THRSE 105 " (cutoff:3.500A) removed outlier: 3.745A pdb=" N PHESE 53 " --> pdb=" O VALSE 104 " (cutoff:3.500A) Processing sheet with id=192, first strand: chain 'SF' and resid 34 through 37 removed outlier: 6.654A pdb=" N GLNSF 34 " --> pdb=" O THRSF 105 " (cutoff:3.500A) Processing sheet with id=193, first strand: chain 'SF' and resid 53 through 58 Processing sheet with id=194, first strand: chain 'SH' and resid 7 through 11 Processing sheet with id=195, first strand: chain 'SH' and resid 84 through 89 removed outlier: 3.681A pdb=" N LEUSH 113 " --> pdb=" O CYSSH 171 " (cutoff:3.500A) removed outlier: 6.412A pdb=" N GLUSH 166 " --> pdb=" O VALSH 155 " (cutoff:3.500A) Processing sheet with id=196, first strand: chain 'SH' and resid 180 through 183 removed outlier: 5.503A pdb=" N ILESH 180 " --> pdb=" O VALSH 312 " (cutoff:3.500A) removed outlier: 3.550A pdb=" N LYSSH 355 " --> pdb=" O LYSSH 344 " (cutoff:3.500A) Processing sheet with id=197, first strand: chain 'SH' and resid 222 through 229 removed outlier: 5.895A pdb=" N PHESH 241 " --> pdb=" O SERSH 261 " (cutoff:3.500A) removed outlier: 4.632A pdb=" N THRSH 253 " --> pdb=" O THRSH 249 " (cutoff:3.500A) Processing sheet with id=198, first strand: chain 'SI' and resid 117 through 122 removed outlier: 4.181A pdb=" N ARGSI 126 " --> pdb=" O SERSI 122 " (cutoff:3.500A) removed outlier: 4.439A pdb=" N GLYSI 89 " --> pdb=" O CYSSI 133 " (cutoff:3.500A) removed outlier: 3.664A pdb=" N LYSSI 178 " --> pdb=" O ASPSI 148 " (cutoff:3.500A) removed outlier: 4.718A pdb=" N LYSSI 215 " --> pdb=" O ILESI 179 " (cutoff:3.500A) Processing sheet with id=199, first strand: chain 'SI' and resid 260 through 264 removed outlier: 3.582A pdb=" N ARGSI 260 " --> pdb=" O TYRSI 283 " (cutoff:3.500A) removed outlier: 3.996A pdb=" N LYSSI 279 " --> pdb=" O LEUSI 264 " (cutoff:3.500A) removed outlier: 4.510A pdb=" N TYRSI 885 " --> pdb=" O LEUSI 313 " (cutoff:3.500A) removed outlier: 3.905A pdb=" N ASPSI 309 " --> pdb=" O GLUSI 889 " (cutoff:3.500A) Processing sheet with id=200, first strand: chain 'SI' and resid 301 through 307 removed outlier: 6.939A pdb=" N GLYSI 303 " --> pdb=" O HISSI 298 " (cutoff:3.500A) removed outlier: 4.933A pdb=" N HISSI 298 " --> pdb=" O GLYSI 303 " (cutoff:3.500A) removed outlier: 6.699A pdb=" N PHESI 305 " --> pdb=" O GLNSI 296 " (cutoff:3.500A) removed outlier: 4.655A pdb=" N GLNSI 296 " --> pdb=" O PHESI 305 " (cutoff:3.500A) removed outlier: 6.801A pdb=" N VALSI 307 " --> pdb=" O LYSSI 294 " (cutoff:3.500A) removed outlier: 5.055A pdb=" N LYSSI 294 " --> pdb=" O VALSI 307 " (cutoff:3.500A) removed outlier: 5.086A pdb=" N GLNSI 296 " --> pdb=" O LEUSI 912 " (cutoff:3.500A) Processing sheet with id=201, first strand: chain 'SI' and resid 344 through 348 removed outlier: 8.350A pdb=" N GLYSI 344 " --> pdb=" O ASPSI 355 " (cutoff:3.500A) removed outlier: 3.568A pdb=" N ASPSI 348 " --> pdb=" O ALASI 351 " (cutoff:3.500A) removed outlier: 4.580A pdb=" N ALASI 351 " --> pdb=" O ASPSI 348 " (cutoff:3.500A) Processing sheet with id=202, first strand: chain 'SI' and resid 1024 through 1029 No H-bonds generated for sheet with id=202 Processing sheet with id=203, first strand: chain 'SI' and resid 1039 through 1044 removed outlier: 5.716A pdb=" N ASNSI1039 " --> pdb=" O PHESI1086 " (cutoff:3.500A) removed outlier: 3.785A pdb=" N PHESI1086 " --> pdb=" O ASNSI1039 " (cutoff:3.500A) removed outlier: 6.662A pdb=" N ARGSI1083 " --> pdb=" O LYSSI1072 " (cutoff:3.500A) removed outlier: 4.685A pdb=" N ILESI1067 " --> pdb=" O THRSI1063 " (cutoff:3.500A) removed outlier: 4.771A pdb=" N ALASI1059 " --> pdb=" O ILESI1071 " (cutoff:3.500A) Processing sheet with id=204, first strand: chain 'SI' and resid 921 through 927 removed outlier: 5.000A pdb=" N TRPSI 983 " --> pdb=" O ILESI 954 " (cutoff:3.500A) removed outlier: 6.071A pdb=" N ILESI 954 " --> pdb=" O TRPSI 983 " (cutoff:3.500A) removed outlier: 4.548A pdb=" N THRSI 991 " --> pdb=" O VALSI1014 " (cutoff:3.500A) removed outlier: 3.634A pdb=" N ALASI1010 " --> pdb=" O ALASI 995 " (cutoff:3.500A) Processing sheet with id=205, first strand: chain 'SI' and resid 922 through 928 No H-bonds generated for sheet with id=205 Processing sheet with id=206, first strand: chain 'SK' and resid 53 through 56 removed outlier: 5.674A pdb=" N GLUSK 53 " --> pdb=" O LEUSK 64 " (cutoff:3.500A) Processing sheet with id=207, first strand: chain 'SK' and resid 156 through 159 removed outlier: 4.528A pdb=" N LEUSK 117 " --> pdb=" O ILESK 159 " (cutoff:3.500A) removed outlier: 4.191A pdb=" N VALSK 108 " --> pdb=" O VALSK 120 " (cutoff:3.500A) removed outlier: 6.225A pdb=" N LEUSK 105 " --> pdb=" O ARGSK 41 " (cutoff:3.500A) removed outlier: 4.443A pdb=" N ARGSK 42 " --> pdb=" O ASPSK 194 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N METSK 172 " --> pdb=" O PROSK 195 " (cutoff:3.500A) removed outlier: 5.168A pdb=" N GLYSK 201 " --> pdb=" O THRSK 176 " (cutoff:3.500A) removed outlier: 4.168A pdb=" N LYSSK 215 " --> pdb=" O LYSSK 173 " (cutoff:3.500A) Processing sheet with id=208, first strand: chain 'SJ' and resid 53 through 56 removed outlier: 5.609A pdb=" N GLUSJ 53 " --> pdb=" O LEUSJ 64 " (cutoff:3.500A) Processing sheet with id=209, first strand: chain 'SJ' and resid 156 through 159 removed outlier: 3.623A pdb=" N LYSSJ 157 " --> pdb=" O GLUSJ 119 " (cutoff:3.500A) removed outlier: 4.460A pdb=" N LEUSJ 117 " --> pdb=" O ILESJ 159 " (cutoff:3.500A) removed outlier: 3.943A pdb=" N VALSJ 120 " --> pdb=" O VALSJ 108 " (cutoff:3.500A) removed outlier: 5.347A pdb=" N VALSJ 108 " --> pdb=" O VALSJ 120 " (cutoff:3.500A) removed outlier: 6.784A pdb=" N LEUSJ 105 " --> pdb=" O ARGSJ 41 " (cutoff:3.500A) removed outlier: 3.557A pdb=" N LEUSJ 43 " --> pdb=" O LEUSJ 105 " (cutoff:3.500A) removed outlier: 4.289A pdb=" N ARGSJ 42 " --> pdb=" O ASPSJ 194 " (cutoff:3.500A) removed outlier: 4.757A pdb=" N METSJ 172 " --> pdb=" O PROSJ 195 " (cutoff:3.500A) removed outlier: 3.744A pdb=" N VALSJ 197 " --> pdb=" O METSJ 172 " (cutoff:3.500A) removed outlier: 3.629A pdb=" N THRSJ 176 " --> pdb=" O VALSJ 199 " (cutoff:3.500A) removed outlier: 5.362A pdb=" N GLYSJ 201 " --> pdb=" O THRSJ 176 " (cutoff:3.500A) removed outlier: 3.504A pdb=" N LYSSJ 215 " --> pdb=" O LYSSJ 173 " (cutoff:3.500A) Processing sheet with id=210, first strand: chain 'SL' and resid 97 through 101 removed outlier: 4.934A pdb=" N ILESL 179 " --> pdb=" O THRSL 159 " (cutoff:3.500A) removed outlier: 6.438A pdb=" N ILESL 176 " --> pdb=" O GLUSL 187 " (cutoff:3.500A) Processing sheet with id=211, first strand: chain 'SM' and resid 111 through 114 removed outlier: 5.024A pdb=" N THRSM 89 " --> pdb=" O METSM 114 " (cutoff:3.500A) removed outlier: 8.064A pdb=" N GLUSM 141 " --> pdb=" O SERSM 90 " (cutoff:3.500A) removed outlier: 8.142A pdb=" N THRSM 134 " --> pdb=" O LEUSM 154 " (cutoff:3.500A) removed outlier: 3.647A pdb=" N GLYSM 148 " --> pdb=" O HISSM 140 " (cutoff:3.500A) removed outlier: 5.422A pdb=" N VALSM 147 " --> pdb=" O LEUSM 164 " (cutoff:3.500A) removed outlier: 6.363A pdb=" N GLUSM 252 " --> pdb=" O CYSSM 165 " (cutoff:3.500A) removed outlier: 3.901A pdb=" N PHESM 251 " --> pdb=" O PHESM 229 " (cutoff:3.500A) removed outlier: 6.113A pdb=" N HISSM 215 " --> pdb=" O TYRSM 234 " (cutoff:3.500A) Processing sheet with id=212, first strand: chain 'SM' and resid 158 through 161 removed outlier: 4.087A pdb=" N METSM 257 " --> pdb=" O TYRSM 161 " (cutoff:3.500A) Processing sheet with id=213, first strand: chain 'SM' and resid 231 through 236 removed outlier: 4.350A pdb=" N HISSM 231 " --> pdb=" O VALSM 247 " (cutoff:3.500A) Processing sheet with id=214, first strand: chain 'SR' and resid 78 through 82 removed outlier: 4.062A pdb=" N LYSSR 79 " --> pdb=" O LEUSR 74 " (cutoff:3.500A) removed outlier: 4.426A pdb=" N ASPSR 98 " --> pdb=" O VALSR 51 " (cutoff:3.500A) removed outlier: 6.593A pdb=" N LEUSR 101 " --> pdb=" O VALSR 123 " (cutoff:3.500A) Processing sheet with id=215, first strand: chain 'SS' and resid 156 through 159 Processing sheet with id=216, first strand: chain 'SY' and resid 230 through 233 removed outlier: 6.144A pdb=" N GLNSY 230 " --> pdb=" O GLNSY 248 " (cutoff:3.500A) Processing sheet with id=217, first strand: chain 'NH' and resid 159 through 163 removed outlier: 4.158A pdb=" N GLNNH 159 " --> pdb=" O THRNH 183 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N LEUNH 237 " --> pdb=" O LEUNH 253 " (cutoff:3.500A) Processing sheet with id=218, first strand: chain 'NH' and resid 472 through 476 removed outlier: 3.602A pdb=" N HISNH 472 " --> pdb=" O LEUNH 554 " (cutoff:3.500A) removed outlier: 3.952A pdb=" N LEUNH 550 " --> pdb=" O LEUNH 476 " (cutoff:3.500A) removed outlier: 5.254A pdb=" N THRNH 551 " --> pdb=" O SERNH 528 " (cutoff:3.500A) removed outlier: 3.773A pdb=" N LEUNH 524 " --> pdb=" O LEUNH 555 " (cutoff:3.500A) Processing sheet with id=219, first strand: chain 'NH' and resid 564 through 569 removed outlier: 6.761A pdb=" N VALNH 564 " --> pdb=" O TRPNH 603 " (cutoff:3.500A) removed outlier: 3.634A pdb=" N VALNH 601 " --> pdb=" O GLUNH 566 " (cutoff:3.500A) removed outlier: 5.244A pdb=" N GLUNH 599 " --> pdb=" O GLYNH 568 " (cutoff:3.500A) Processing sheet with id=220, first strand: chain 'NH' and resid 684 through 689 removed outlier: 4.984A pdb=" N THRNH 736 " --> pdb=" O ALANH 689 " (cutoff:3.500A) removed outlier: 4.047A pdb=" N GLNNH 776 " --> pdb=" O LEUNH 787 " (cutoff:3.500A) Processing sheet with id=221, first strand: chain 'NH' and resid 809 through 812 removed outlier: 3.911A pdb=" N METNH 815 " --> pdb=" O SERNH 811 " (cutoff:3.500A) Processing sheet with id=222, first strand: chain 'NH' and resid 916 through 919 Processing sheet with id=223, first strand: chain 'NH' and resid 1070 through 1074 removed outlier: 5.807A pdb=" N ASPNH1009 " --> pdb=" O ARGNH1140 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N THRNH1136 " --> pdb=" O ARGNH1013 " (cutoff:3.500A) Processing sheet with id=224, first strand: chain 'NH' and resid 1104 through 1108 removed outlier: 4.008A pdb=" N VALNH1114 " --> pdb=" O METNH1107 " (cutoff:3.500A) Processing sheet with id=225, first strand: chain 'LR' and resid 15 through 18 removed outlier: 6.815A pdb=" N LEULR 631 " --> pdb=" O GLULR 18 " (cutoff:3.500A) removed outlier: 4.351A pdb=" N ARGLR 19 " --> pdb=" O LEULR 631 " (cutoff:3.500A) Processing sheet with id=226, first strand: chain 'LR' and resid 30 through 33 removed outlier: 5.946A pdb=" N HISLR 38 " --> pdb=" O ASPLR 33 " (cutoff:3.500A) removed outlier: 8.733A pdb=" N GLNLR 37 " --> pdb=" O VALLR 52 " (cutoff:3.500A) removed outlier: 3.591A pdb=" N ARGLR 59 " --> pdb=" O ILELR 49 " (cutoff:3.500A) Processing sheet with id=227, first strand: chain 'LR' and resid 71 through 75 removed outlier: 3.737A pdb=" N ALALR 71 " --> pdb=" O ALALR 84 " (cutoff:3.500A) removed outlier: 6.128A pdb=" N VALLR 80 " --> pdb=" O SERLR 75 " (cutoff:3.500A) removed outlier: 6.516A pdb=" N LEULR 88 " --> pdb=" O ALALR 106 " (cutoff:3.500A) Processing sheet with id=228, first strand: chain 'LR' and resid 113 through 117 removed outlier: 4.513A pdb=" N ALALR 132 " --> pdb=" O GLYLR 128 " (cutoff:3.500A) Processing sheet with id=229, first strand: chain 'LR' and resid 156 through 159 removed outlier: 3.599A pdb=" N LEULR 156 " --> pdb=" O SERLR 171 " (cutoff:3.500A) Processing sheet with id=230, first strand: chain 'LR' and resid 200 through 204 removed outlier: 6.643A pdb=" N THRLR 209 " --> pdb=" O SERLR 204 " (cutoff:3.500A) removed outlier: 3.687A pdb=" N ARGLR 231 " --> pdb=" O ILELR 221 " (cutoff:3.500A) Processing sheet with id=231, first strand: chain 'LR' and resid 242 through 245 removed outlier: 5.094A pdb=" N TYRLR 261 " --> pdb=" O LEULR 245 " (cutoff:3.500A) removed outlier: 7.302A pdb=" N LEULR 260 " --> pdb=" O ALALR 276 " (cutoff:3.500A) removed outlier: 6.990A pdb=" N VALLR 273 " --> pdb=" O VALLR 282 " (cutoff:3.500A) removed outlier: 4.085A pdb=" N GLNLR 280 " --> pdb=" O GLULR 275 " (cutoff:3.500A) Processing sheet with id=232, first strand: chain 'LR' and resid 297 through 301 removed outlier: 4.356A pdb=" N VALLR 306 " --> pdb=" O ALALR 301 " (cutoff:3.500A) removed outlier: 8.169A pdb=" N GLYLR 305 " --> pdb=" O ALALR 321 " (cutoff:3.500A) removed outlier: 7.314A pdb=" N HISLR 314 " --> pdb=" O GLYLR 332 " (cutoff:3.500A) removed outlier: 3.578A pdb=" N LEULR 318 " --> pdb=" O LYSLR 328 " (cutoff:3.500A) removed outlier: 4.185A pdb=" N LYSLR 328 " --> pdb=" O LEULR 318 " (cutoff:3.500A) Processing sheet with id=233, first strand: chain 'LR' and resid 339 through 344 removed outlier: 9.211A pdb=" N SERLR 348 " --> pdb=" O LEULR 364 " (cutoff:3.500A) removed outlier: 3.588A pdb=" N LYSLR 360 " --> pdb=" O VALLR 352 " (cutoff:3.500A) removed outlier: 3.577A pdb=" N GLULR 363 " --> pdb=" O ALALR 368 " (cutoff:3.500A) removed outlier: 4.344A pdb=" N ALALR 368 " --> pdb=" O GLULR 363 " (cutoff:3.500A) Processing sheet with id=234, first strand: chain 'LR' and resid 381 through 385 removed outlier: 3.642A pdb=" N ALALR 381 " --> pdb=" O CYSLR 394 " (cutoff:3.500A) removed outlier: 5.868A pdb=" N LEULR 390 " --> pdb=" O PHELR 385 " (cutoff:3.500A) removed outlier: 6.138A pdb=" N TRPLR 389 " --> pdb=" O METLR 405 " (cutoff:3.500A) Processing sheet with id=235, first strand: chain 'LR' and resid 426 through 429 removed outlier: 5.496A pdb=" N SERLR 435 " --> pdb=" O LEULR 451 " (cutoff:3.500A) removed outlier: 3.767A pdb=" N THRLR 473 " --> pdb=" O LEULR 448 " (cutoff:3.500A) Processing sheet with id=236, first strand: chain 'LR' and resid 484 through 488 removed outlier: 5.911A pdb=" N LEULR 493 " --> pdb=" O ALALR 488 " (cutoff:3.500A) removed outlier: 3.855A pdb=" N GLYLR 515 " --> pdb=" O LEULR 505 " (cutoff:3.500A) Processing sheet with id=237, first strand: chain 'LR' and resid 525 through 530 removed outlier: 6.127A pdb=" N VALLR 535 " --> pdb=" O SERLR 530 " (cutoff:3.500A) removed outlier: 3.611A pdb=" N SERLR 540 " --> pdb=" O THRLR 544 " (cutoff:3.500A) removed outlier: 4.202A pdb=" N THRLR 544 " --> pdb=" O SERLR 540 " (cutoff:3.500A) removed outlier: 3.865A pdb=" N LYSLR 557 " --> pdb=" O LEULR 547 " (cutoff:3.500A) Processing sheet with id=238, first strand: chain 'LR' and resid 568 through 572 removed outlier: 3.648A pdb=" N LYSLR 568 " --> pdb=" O SERLR 581 " (cutoff:3.500A) removed outlier: 9.095A pdb=" N THRLR 576 " --> pdb=" O ILELR 592 " (cutoff:3.500A) removed outlier: 6.854A pdb=" N LEULR 589 " --> pdb=" O VALLR 598 " (cutoff:3.500A) removed outlier: 3.646A pdb=" N GLULR 596 " --> pdb=" O THRLR 591 " (cutoff:3.500A) Processing sheet with id=239, first strand: chain 'LR' and resid 610 through 614 removed outlier: 6.484A pdb=" N HISLR 619 " --> pdb=" O SERLR 614 " (cutoff:3.500A) Processing sheet with id=240, first strand: chain 'LR' and resid 586 through 589 removed outlier: 3.790A pdb=" N ARGLR 599 " --> pdb=" O LEULR 589 " (cutoff:3.500A) Processing sheet with id=241, first strand: chain 'LR' and resid 618 through 623 removed outlier: 6.899A pdb=" N ASPLR 618 " --> pdb=" O ASPLR 634 " (cutoff:3.500A) removed outlier: 3.697A pdb=" N ILELR 630 " --> pdb=" O THRLR 622 " (cutoff:3.500A) Processing sheet with id=242, first strand: chain 'SG' and resid 150 through 155 removed outlier: 3.535A pdb=" N CYSSG 151 " --> pdb=" O ALASG 164 " (cutoff:3.500A) removed outlier: 5.669A pdb=" N ALASG 160 " --> pdb=" O THRSG 155 " (cutoff:3.500A) removed outlier: 3.628A pdb=" N ALASG 165 " --> pdb=" O SERSG 169 " (cutoff:3.500A) removed outlier: 4.225A pdb=" N SERSG 169 " --> pdb=" O ALASG 165 " (cutoff:3.500A) removed outlier: 8.168A pdb=" N CYSSG 168 " --> pdb=" O ARGSG 186 " (cutoff:3.500A) removed outlier: 4.127A pdb=" N ARGSG 186 " --> pdb=" O CYSSG 168 " (cutoff:3.500A) removed outlier: 3.583A pdb=" N HISSG 182 " --> pdb=" O LYSSG 172 " (cutoff:3.500A) Processing sheet with id=243, first strand: chain 'SG' and resid 204 through 208 removed outlier: 5.525A pdb=" N TYRSG 213 " --> pdb=" O SERSG 208 " (cutoff:3.500A) removed outlier: 7.649A pdb=" N LYSSG 212 " --> pdb=" O ALASG 228 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N TYRSG 235 " --> pdb=" O ILESG 225 " (cutoff:3.500A) Processing sheet with id=244, first strand: chain 'SG' and resid 276 through 280 removed outlier: 3.772A pdb=" N GLUSG 277 " --> pdb=" O VALSG 267 " (cutoff:3.500A) removed outlier: 4.489A pdb=" N SERSG 264 " --> pdb=" O SERSG 260 " (cutoff:3.500A) removed outlier: 8.289A pdb=" N HISSG 254 " --> pdb=" O VALSG 270 " (cutoff:3.500A) removed outlier: 5.129A pdb=" N GLNSG 255 " --> pdb=" O ARGSG 250 " (cutoff:3.500A) removed outlier: 3.543A pdb=" N GLYSG 246 " --> pdb=" O THRSG 259 " (cutoff:3.500A) removed outlier: 4.161A pdb=" N ALASG 288 " --> pdb=" O ALASG 300 " (cutoff:3.500A) removed outlier: 3.534A pdb=" N CYSSG 297 " --> pdb=" O TRPSG 310 " (cutoff:3.500A) removed outlier: 5.434A pdb=" N THRSG 306 " --> pdb=" O GLYSG 301 " (cutoff:3.500A) Processing sheet with id=245, first strand: chain 'SG' and resid 328 through 333 removed outlier: 3.583A pdb=" N CYSSG 329 " --> pdb=" O GLYSG 341 " (cutoff:3.500A) removed outlier: 6.550A pdb=" N HISSG 337 " --> pdb=" O ILESG 333 " (cutoff:3.500A) removed outlier: 4.699A pdb=" N SERSG 346 " --> pdb=" O ALASG 342 " (cutoff:3.500A) Processing sheet with id=246, first strand: chain 'SG' and resid 367 through 370 removed outlier: 4.420A pdb=" N GLUSG 370 " --> pdb=" O LEUSG 373 " (cutoff:3.500A) Processing sheet with id=247, first strand: chain 'SG' and resid 381 through 385 removed outlier: 3.537A pdb=" N SERSG 381 " --> pdb=" O GLYSG 394 " (cutoff:3.500A) removed outlier: 5.080A pdb=" N LEUSG 390 " --> pdb=" O LEUSG 385 " (cutoff:3.500A) removed outlier: 5.929A pdb=" N ASPSG 389 " --> pdb=" O CYSSG 405 " (cutoff:3.500A) removed outlier: 6.663A pdb=" N LEUSG 402 " --> pdb=" O LEUSG 415 " (cutoff:3.500A) removed outlier: 5.155A pdb=" N GLNSG 411 " --> pdb=" O GLYSG 406 " (cutoff:3.500A) Processing sheet with id=248, first strand: chain 'SG' and resid 422 through 425 removed outlier: 6.437A pdb=" N GLYSG 439 " --> pdb=" O ASNSG 425 " (cutoff:3.500A) removed outlier: 6.442A pdb=" N PHESG 435 " --> pdb=" O SERSG 430 " (cutoff:3.500A) removed outlier: 3.605A pdb=" N SERSG 426 " --> pdb=" O GLYSG 439 " (cutoff:3.500A) Processing sheet with id=249, first strand: chain 'SG' and resid 434 through 441 removed outlier: 5.282A pdb=" N ASPSG 434 " --> pdb=" O LEUSG 464 " (cutoff:3.500A) Processing sheet with id=250, first strand: chain 'NI' and resid 65 through 68 removed outlier: 5.867A pdb=" N ARGNI 59 " --> pdb=" O PHENI 123 " (cutoff:3.500A) removed outlier: 5.154A pdb=" N THRNI 60 " --> pdb=" O HISNI 45 " (cutoff:3.500A) removed outlier: 4.035A pdb=" N TYRNI 41 " --> pdb=" O LEUNI 64 " (cutoff:3.500A) removed outlier: 3.981A pdb=" N LEUNI 139 " --> pdb=" O PRONI 27 " (cutoff:3.500A) removed outlier: 3.777A pdb=" N LYSNI 29 " --> pdb=" O LEUNI 139 " (cutoff:3.500A) Processing sheet with id=251, first strand: chain 'SW' and resid 75 through 79 removed outlier: 3.614A pdb=" N VALSW 116 " --> pdb=" O ILESW 78 " (cutoff:3.500A) Processing sheet with id=252, first strand: chain 'SW' and resid 159 through 163 Processing sheet with id=253, first strand: chain 'NK' and resid 102 through 107 removed outlier: 7.358A pdb=" N LYSNK 60 " --> pdb=" O GLNNK 124 " (cutoff:3.500A) Processing sheet with id=254, first strand: chain 'NK' and resid 341 through 344 removed outlier: 4.111A pdb=" N ARGNK 357 " --> pdb=" O ILENK 344 " (cutoff:3.500A) removed outlier: 5.967A pdb=" N SERNK 307 " --> pdb=" O ARGNK 365 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N SERNK 313 " --> pdb=" O ILENK 371 " (cutoff:3.500A) removed outlier: 3.529A pdb=" N LEUNK 384 " --> pdb=" O ASNNK 308 " (cutoff:3.500A) removed outlier: 3.915A pdb=" N ALANK 410 " --> pdb=" O ILENK 387 " (cutoff:3.500A) removed outlier: 5.241A pdb=" N SERNK 278 " --> pdb=" O TYRNK 405 " (cutoff:3.500A) removed outlier: 4.036A pdb=" N THRNK 459 " --> pdb=" O ARGNK 277 " (cutoff:3.500A) removed outlier: 4.290A pdb=" N LEUNK 465 " --> pdb=" O THRNK 283 " (cutoff:3.500A) removed outlier: 4.042A pdb=" N ALANK 285 " --> pdb=" O LEUNK 465 " (cutoff:3.500A) Processing sheet with id=255, first strand: chain 'NK' and resid 505 through 509 removed outlier: 3.802A pdb=" N GLUNK 506 " --> pdb=" O LEUNK 560 " (cutoff:3.500A) removed outlier: 3.536A pdb=" N ALANK 575 " --> pdb=" O LEUNK 559 " (cutoff:3.500A) removed outlier: 6.768A pdb=" N GLNNK 578 " --> pdb=" O VALNK 627 " (cutoff:3.500A) removed outlier: 3.761A pdb=" N TYRNK 708 " --> pdb=" O SERNK 622 " (cutoff:3.500A) removed outlier: 4.986A pdb=" N SERNK 712 " --> pdb=" O VALNK 626 " (cutoff:3.500A) removed outlier: 6.910A pdb=" N ILENK 747 " --> pdb=" O VALNK 731 " (cutoff:3.500A) Processing sheet with id=256, first strand: chain 'NK' and resid 575 through 578 removed outlier: 3.561A pdb=" N ARGNK 628 " --> pdb=" O GLNNK 578 " (cutoff:3.500A) Processing sheet with id=257, first strand: chain 'NY' and resid 58 through 63 removed outlier: 5.666A pdb=" N SERNY 58 " --> pdb=" O THRNY 103 " (cutoff:3.500A) Processing sheet with id=258, first strand: chain 'NY' and resid 141 through 146 9342 hydrogen bonds defined for protein. 27696 hydrogen bond angles defined for protein. Restraints generated for nucleic acids: 1021 hydrogen bonds 1680 hydrogen bond angles 0 basepair planarities 415 basepair parallelities 913 stacking parallelities Total time for adding SS restraints: 239.22 Time building geometry restraints manager: 80.02 seconds NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Histogram of bond lengths: 1.21 - 1.33: 59814 1.33 - 1.46: 50608 1.46 - 1.58: 115251 1.58 - 1.70: 3541 1.70 - 1.82: 1047 Bond restraints: 230261 Sorted by residual: bond pdb=" C1' ATPNH3000 " pdb=" C2' ATPNH3000 " ideal model delta sigma weight residual 1.293 1.529 -0.236 2.00e-02 2.50e+03 1.40e+02 bond pdb=" C1' ATPNK1101 " pdb=" C2' ATPNK1101 " ideal model delta sigma weight residual 1.293 1.528 -0.235 2.00e-02 2.50e+03 1.38e+02 bond pdb=" C1' ATPNH3000 " pdb=" O4' ATPNH3000 " ideal model delta sigma weight residual 1.621 1.405 0.216 2.00e-02 2.50e+03 1.17e+02 bond pdb=" C1' ATPNK1101 " pdb=" O4' ATPNK1101 " ideal model delta sigma weight residual 1.621 1.416 0.205 2.00e-02 2.50e+03 1.05e+02 bond pdb=" O3B ATPNH3000 " pdb=" PB ATPNH3000 " ideal model delta sigma weight residual 1.733 1.589 0.144 2.00e-02 2.50e+03 5.17e+01 ... (remaining 230256 not shown) Histogram of bond angle deviations from ideal: 92.34 - 101.85: 1757 101.85 - 111.36: 111648 111.36 - 120.87: 137820 120.87 - 130.37: 68648 130.37 - 139.88: 1296 Bond angle restraints: 321169 Sorted by residual: angle pdb=" C1' ATPNH3000 " pdb=" N9 ATPNH3000 " pdb=" C8 ATPNH3000 " ideal model delta sigma weight residual 104.09 127.14 -23.05 3.00e+00 1.11e-01 5.90e+01 angle pdb=" C1' ATPNK1101 " pdb=" N9 ATPNK1101 " pdb=" C8 ATPNK1101 " ideal model delta sigma weight residual 104.09 126.15 -22.06 3.00e+00 1.11e-01 5.41e+01 angle pdb=" C1' ATPNH3000 " pdb=" N9 ATPNH3000 " pdb=" C4 ATPNH3000 " ideal model delta sigma weight residual 147.78 127.16 20.62 3.00e+00 1.11e-01 4.73e+01 angle pdb=" N PROSI 631 " pdb=" CA PROSI 631 " pdb=" CB PROSI 631 " ideal model delta sigma weight residual 103.00 110.41 -7.41 1.10e+00 8.26e-01 4.54e+01 angle pdb=" C1' ATPNK1101 " pdb=" N9 ATPNK1101 " pdb=" C4 ATPNK1101 " ideal model delta sigma weight residual 147.78 128.26 19.52 3.00e+00 1.11e-01 4.23e+01 ... (remaining 321164 not shown) Histogram of dihedral angle deviations from ideal: 0.00 - 35.87: 132151 35.87 - 71.74: 2602 71.74 - 107.61: 277 107.61 - 143.48: 27 143.48 - 179.35: 34 Dihedral angle restraints: 135091 sinusoidal: 57989 harmonic: 77102 Sorted by residual: dihedral pdb=" C4' CL0 799 " pdb=" C3' CL0 799 " pdb=" C2' CL0 799 " pdb=" C1' CL0 799 " ideal model delta sinusoidal sigma weight residual -35.00 32.03 -67.03 1 8.00e+00 1.56e-02 9.15e+01 dihedral pdb=" C5' CL0 799 " pdb=" C4' CL0 799 " pdb=" C3' CL0 799 " pdb=" O3' CL0 799 " ideal model delta sinusoidal sigma weight residual 147.00 81.40 65.60 1 8.00e+00 1.56e-02 8.80e+01 dihedral pdb=" O4' CL1 73 " pdb=" C1' CL1 73 " pdb=" N1 CL1 73 " pdb=" C2 CL1 73 " ideal model delta sinusoidal sigma weight residual 200.00 25.29 174.71 1 1.50e+01 4.44e-03 8.52e+01 ... (remaining 135088 not shown) Histogram of chiral volume deviations from ideal: 0.000 - 0.089: 36967 0.089 - 0.177: 2184 0.177 - 0.266: 40 0.266 - 0.355: 5 0.355 - 0.443: 2 Chirality restraints: 39198 Sorted by residual: chirality pdb=" CG LEUNW 288 " pdb=" CB LEUNW 288 " pdb=" CD1 LEUNW 288 " pdb=" CD2 LEUNW 288 " both_signs ideal model delta sigma weight residual False -2.59 -2.15 -0.44 2.00e-01 2.50e+01 4.92e+00 chirality pdb=" C1' CL11765 " pdb=" O4' CL11765 " pdb=" C2' CL11765 " pdb=" N1 CL11765 " both_signs ideal model delta sigma weight residual False 2.45 2.05 0.39 2.00e-01 2.50e+01 3.85e+00 chirality pdb=" C3' CL0 799 " pdb=" C4' CL0 799 " pdb=" O3' CL0 799 " pdb=" C2' CL0 799 " both_signs ideal model delta sigma weight residual False -2.74 -2.40 -0.34 2.00e-01 2.50e+01 2.97e+00 ... (remaining 39195 not shown) Planarity restraints: 35187 Sorted by residual: delta sigma weight rms_deltas residual plane pdb=" C1' ATPNK1101 " -0.424 2.00e-02 2.50e+03 5.64e-01 7.17e+03 pdb=" C2' ATPNK1101 " 0.629 2.00e-02 2.50e+03 pdb=" C3' ATPNK1101 " 0.223 2.00e-02 2.50e+03 pdb=" C4' ATPNK1101 " -0.229 2.00e-02 2.50e+03 pdb=" C5' ATPNK1101 " 0.838 2.00e-02 2.50e+03 pdb=" N9 ATPNK1101 " -0.005 2.00e-02 2.50e+03 pdb=" O2' ATPNK1101 " 0.521 2.00e-02 2.50e+03 pdb=" O3' ATPNK1101 " -0.842 2.00e-02 2.50e+03 pdb=" O4' ATPNK1101 " -0.711 2.00e-02 2.50e+03 delta sigma weight rms_deltas residual plane pdb=" C1' ATPNH3000 " -0.343 2.00e-02 2.50e+03 3.20e-01 2.30e+03 pdb=" C2' ATPNH3000 " 0.484 2.00e-02 2.50e+03 pdb=" C3' ATPNH3000 " 0.394 2.00e-02 2.50e+03 pdb=" C4' ATPNH3000 " -0.307 2.00e-02 2.50e+03 pdb=" C5' ATPNH3000 " 0.308 2.00e-02 2.50e+03 pdb=" N9 ATPNH3000 " 0.154 2.00e-02 2.50e+03 pdb=" O2' ATPNH3000 " -0.066 2.00e-02 2.50e+03 pdb=" O3' ATPNH3000 " -0.347 2.00e-02 2.50e+03 pdb=" O4' ATPNH3000 " -0.276 2.00e-02 2.50e+03 delta sigma weight rms_deltas residual plane pdb=" C PHESK 167 " 0.096 5.00e-02 4.00e+02 1.41e-01 3.19e+01 pdb=" N PROSK 168 " -0.244 5.00e-02 4.00e+02 pdb=" CA PROSK 168 " 0.074 5.00e-02 4.00e+02 pdb=" CD PROSK 168 " 0.074 5.00e-02 4.00e+02 ... (remaining 35184 not shown) Histogram of nonbonded interaction distances: 1.26 - 1.99: 1 1.99 - 2.72: 9170 2.72 - 3.44: 309235 3.44 - 4.17: 536177 4.17 - 4.90: 884087 Nonbonded interactions: 1738670 Sorted by model distance: nonbonded pdb="MG MGL11905 " pdb="MG MGL11919 " model vdw 1.260 1.300 nonbonded pdb=" OP2 GL11226 " pdb="MG MGL11908 " model vdw 2.020 2.170 nonbonded pdb=" O ARGLC 62 " pdb=" OH TYRLC 96 " model vdw 2.059 2.440 nonbonded pdb=" O2' UL2 12 " pdb=" OG1 THRSM 44 " model vdw 2.085 2.440 nonbonded pdb=" OD2 ASPLN 185 " pdb=" OH TYRLS 364 " model vdw 2.144 2.440 ... (remaining 1738665 not shown) NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Find NCS groups from input model Found NCS groups: ncs_group { reference = (chain 'NJ' and ((resid 1 through 16 and (name N or name CA or name C or name O \ or name CB )) or resid 17 or (resid 18 through 29 and (name N or name CA or name \ C or name O or name CB )) or resid 30 or (resid 31 through 32 and (name N or na \ me CA or name C or name O or name CB )) or resid 33 or (resid 34 through 61 and \ (name N or name CA or name C or name O or name CB )) or (resid 91 through 114 an \ d (name N or name CA or name C or name O or name CB )) or resid 115 or (resid 11 \ 6 through 118 and (name N or name CA or name C or name O or name CB )) or resid \ 119 or (resid 120 through 142 and (name N or name CA or name C or name O or name \ CB )) or resid 143 through 145 or (resid 146 through 180 and (name N or name CA \ or name C or name O or name CB )) or resid 181 or (resid 182 through 221 and (n \ ame N or name CA or name C or name O or name CB )) or (resid 231 through 248 and \ (name N or name CA or name C or name O or name CB )) or resid 249 or (resid 250 \ through 269 and (name N or name CA or name C or name O or name CB )) or resid 2 \ 70 or (resid 271 through 286 and (name N or name CA or name C or name O or name \ CB )) or resid 287 or (resid 288 and (name N or name CA or name C or name O or n \ ame CB )) or resid 289 or (resid 290 through 294 and (name N or name CA or name \ C or name O or name CB )) or resid 295 or (resid 296 through 299 and (name N or \ name CA or name C or name O or name CB )) or (resid 300 through 304 and (name N \ or name CA or name C or name O or name CB )) or resid 305 or (resid 306 through \ 328 and (name N or name CA or name C or name O or name CB )) or resid 329 or (re \ sid 330 through 379 and (name N or name CA or name C or name O or name CB )) or \ resid 380 or (resid 381 through 402 and (name N or name CA or name C or name O o \ r name CB )) or resid 403 or (resid 404 through 473 and (name N or name CA or na \ me C or name O or name CB )) or resid 474 or (resid 475 through 497 and (name N \ or name CA or name C or name O or name CB )) or resid 498 or (resid 499 through \ 582 and (name N or name CA or name C or name O or name CB )) or resid 583 or (re \ sid 584 through 585 and (name N or name CA or name C or name O or name CB )) or \ resid 602 or (resid 603 through 618 and (name N or name CA or name C or name O o \ r name CB )) or resid 619 through 620 or (resid 621 through 622 and (name N or n \ ame CA or name C or name O or name CB )) or resid 623 through 624 or (resid 625 \ through 636 and (name N or name CA or name C or name O or name CB )) or resid 63 \ 7 or (resid 638 and (name N or name CA or name C or name O or name CB )) or resi \ d 639 or (resid 640 and (name N or name CA or name C or name O or name CB )) or \ resid 641 or (resid 642 through 653 and (name N or name CA or name C or name O o \ r name CB )) or resid 654 or (resid 655 through 657 and (name N or name CA or na \ me C or name O or name CB )) or (resid 682 through 709 and (name N or name CA or \ name C or name O or name CB )) or resid 710 or (resid 711 through 713 and (name \ N or name CA or name C or name O or name CB )) or resid 714 or (resid 715 throu \ gh 726 and (name N or name CA or name C or name O or name CB )) or resid 727 or \ (resid 728 through 741 and (name N or name CA or name C or name O or name CB )) \ or resid 742 or (resid 743 through 751 and (name N or name CA or name C or name \ O or name CB )) or resid 762 or (resid 763 through 800 and (name N or name CA or \ name C or name O or name CB )) or (resid 801 through 854 and (name N or name CA \ or name C or name O or name CB )) or resid 855 or (resid 856 through 868 and (n \ ame N or name CA or name C or name O or name CB )) or resid 869 or (resid 870 an \ d (name N or name CA or name C or name O or name CB )) or resid 871 or (resid 87 \ 2 through 888 and (name N or name CA or name C or name O or name CB )) or resid \ 889 or (resid 890 through 892 and (name N or name CA or name C or name O or name \ CB )) or resid 893 or (resid 894 through 913 and (name N or name CA or name C o \ r name O or name CB )))) selection = (chain 'NK' and (resid 1 through 174 or resid 178 through 414 or resid 423 throu \ gh 585 or resid 602 through 751 or resid 762 through 913)) } ncs_group { reference = chain 'SC' selection = (chain 'SD' and resid 85 through 317) } ncs_group { reference = (chain 'SE' and resid 6 through 128) selection = chain 'SF' } ncs_group { reference = chain 'SJ' selection = (chain 'SK' and ((resid 41 through 48 and (name N or name CA or name C or name O \ or name CB )) or (resid 49 through 57 and (name N or name CA or name C or name \ O or name CB )) or resid 58 or (resid 59 through 76 and (name N or name CA or na \ me C or name O or name CB )) or resid 77 or (resid 78 through 80 and (name N or \ name CA or name C or name O or name CB )) or resid 81 or (resid 82 through 103 a \ nd (name N or name CA or name C or name O or name CB )) or resid 104 or (resid 1 \ 05 through 134 and (name N or name CA or name C or name O or name CB )) or resid \ 135 or (resid 136 through 150 and (name N or name CA or name C or name O or nam \ e CB )) or resid 151 or (resid 152 through 169 and (name N or name CA or name C \ or name O or name CB )) or resid 170 or (resid 171 through 174 and (name N or na \ me CA or name C or name O or name CB )) or resid 175 or (resid 176 through 200 a \ nd (name N or name CA or name C or name O or name CB )) or (resid 201 through 20 \ 5 and (name N or name CA or name C or name O or name CB )) or resid 206 or (resi \ d 207 through 241 and (name N or name CA or name C or name O or name CB )) or re \ sid 242 or (resid 243 through 244 and (name N or name CA or name C or name O or \ name CB )) or resid 301)) } 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 3 6.06 5 P 1789 5.49 5 Mg 22 5.21 5 S 681 5.16 5 C 133181 2.51 5 N 40637 2.21 5 O 46871 1.98 5 sf(0) = scattering factor at diffraction angle 0. Adjust number of macro_cycles Number of macro_cycles: 10 Reset NCS operators Extract rigid body selections Check and reset occupancies Occupancies: min=1.00 max=1.00 mean=1.00 Load rotamer database and sin/cos tables Set ADP refinement strategy ADPs will be refined as group one per residue Make a string to write initial .geo file Internal consistency checks Time: Set random seed: 0.000 Set model cs if undefined: 0.000 Decide on map wrapping: 0.000 Normalize map: mean=0, sd=1: 8.780 Set stop_for_unknowns flag: 0.000 Assert model is a single copy model: 0.000 Assert all atoms have isotropic ADPs: 0.010 Construct map_model_manager: 0.190 Extract box with map and model: 48.740 Check model and map are aligned: 2.430 Convert atoms to be neutral: 1.380 Process input model: 721.090 Find NCS groups from input model: 11.010 Set up NCS constraints: 1.070 Set refine NCS operators: 0.000 Set scattering table: 0.090 Adjust number of macro_cycles: 0.000 Reset NCS operators: 0.000 Extract rigid body selections: 0.000 Check and reset occupancies: 0.040 Load rotamer database and sin/cos tables:2.830 Set ADP refinement strategy: 0.000 Make a string to write initial .geo file:0.000 Internal consistency checks: 0.000 Total: 797.660 ------------------------------------------------------------------------------- Set refinement monitor ********************** ------------------------------------------------------------------------------- Setup refinement engine *********************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7488 moved from start: 0.0000 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.003 0.236 230261 Z= 0.220 Angle : 0.622 23.045 321169 Z= 0.336 Chirality : 0.041 0.443 39198 Planarity : 0.005 0.564 35187 Dihedral : 14.369 179.347 84757 Min Nonbonded Distance : 1.260 Molprobity Statistics. All-atom Clashscore : 5.22 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.04 % Favored : 97.96 % Rotamer Outliers : 0.04 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.74 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 0.25 (0.05), residues: 24631 helix: 0.82 (0.05), residues: 9592 sheet: 0.71 (0.08), residues: 4375 loop : -0.60 (0.06), residues: 10664 *********************** REFINEMENT MACRO_CYCLE 1 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 49262 Ramachandran restraints generated. 24631 Oldfield, 0 Emsley, 24631 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 49262 Ramachandran restraints generated. 24631 Oldfield, 0 Emsley, 24631 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1444 residues out of total 21968 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 6 poor density : 1438 time to evaluate : 15.288 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 6 outliers final: 0 residues processed: 1444 average time/residue: 1.6144 time to fit residues: 4230.4164 Evaluate side-chains 932 residues out of total 21968 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 932 time to evaluate : 14.975 Switching outliers to nearest non-outliers outliers start: 0 outliers final: 0 residues processed: 0 time to fit residues: 19.3955 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=5.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 2632 random chunks: chunk 2222 optimal weight: 4.9990 chunk 1994 optimal weight: 6.9990 chunk 1106 optimal weight: 2.9990 chunk 681 optimal weight: 0.9980 chunk 1345 optimal weight: 7.9990 chunk 1065 optimal weight: 1.9990 chunk 2062 optimal weight: 9.9990 chunk 798 optimal weight: 8.9990 chunk 1254 optimal weight: 5.9990 chunk 1535 optimal weight: 7.9990 chunk 2390 optimal weight: 30.0000 overall best weight: 3.3988 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: L4 161 GLN ** L5 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L6 105 ASN L7 68 GLN L7 97 GLN L7 126 HIS L9 124 HIS LC 77 HIS LD 11 GLN ** LD 19 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** LG 29 GLN LH 64 GLN ** LH 429 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LH 663 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** LJ 34 GLN LK 479 ASN ** LK 553 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** LL 370 HIS ** LL 507 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LL 547 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** LN 27 GLN LN 129 GLN LN 180 HIS ** LN 515 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LN 549 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** LN 595 HIS ** LO 879 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** LP 383 ASN LP 407 GLN ** LQ 181 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LQ 297 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** LQ 632 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** LS 188 HIS LS 453 ASN LS 454 GLN LT 270 GLN ** LT 938 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LU 12 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LU 75 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** LU 187 ASN LW 406 HIS ND 180 GLN NF 105 ASN NF 123 HIS NG 38 ASN ** NJ 260 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** NJ 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** NJ 364 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** NN 518 HIS NW 65 GLN NW 124 GLN ** NW 143 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** NW 188 HIS NW 252 GLN ** NW 299 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** SB 253 ASN SC 176 HIS SC 259 HIS ** SD 256 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** SD 259 HIS SD 290 ASN SI 61 GLN SI 194 GLN SI1134 GLN SQ 594 GLN ** SS 195 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** SS 691 HIS SS 708 ASN LR 710 GLN LM 276 ASN ** LM 489 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** LM 562 GLN LM 705 HIS ** LM1046 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** NY 153 ASN Total number of N/Q/H flips: 50 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7576 moved from start: 0.1478 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.005 0.152 230261 Z= 0.295 Angle : 0.627 24.386 321169 Z= 0.325 Chirality : 0.041 0.310 39198 Planarity : 0.004 0.091 35187 Dihedral : 13.218 179.448 49214 Min Nonbonded Distance : 1.023 Molprobity Statistics. All-atom Clashscore : 7.65 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.36 % Favored : 97.63 % Rotamer Outliers : 1.01 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.74 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 0.74 (0.05), residues: 24631 helix: 1.61 (0.05), residues: 9916 sheet: 0.57 (0.08), residues: 4425 loop : -0.63 (0.06), residues: 10290 *********************** REFINEMENT MACRO_CYCLE 2 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 49262 Ramachandran restraints generated. 24631 Oldfield, 0 Emsley, 24631 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 49262 Ramachandran restraints generated. 24631 Oldfield, 0 Emsley, 24631 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1170 residues out of total 21968 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 157 poor density : 1013 time to evaluate : 17.007 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: 157 outliers final: 96 residues processed: 1108 average time/residue: 1.5646 time to fit residues: 3164.8294 Evaluate side-chains 984 residues out of total 21968 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 96 poor density : 888 time to evaluate : 15.127 Switching outliers to nearest non-outliers outliers start: 96 outliers final: 0 residues processed: 96 average time/residue: 1.3952 time to fit residues: 273.5807 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 2632 random chunks: chunk 1328 optimal weight: 220.0000 chunk 741 optimal weight: 10.0000 chunk 1989 optimal weight: 6.9990 chunk 1627 optimal weight: 1.9990 chunk 659 optimal weight: 3.9990 chunk 2394 optimal weight: 30.0000 chunk 2586 optimal weight: 70.0000 chunk 2132 optimal weight: 9.9990 chunk 2374 optimal weight: 30.0000 chunk 816 optimal weight: 7.9990 chunk 1920 optimal weight: 8.9990 overall best weight: 5.9990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: L5 110 GLN ** L6 186 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L6 187 HIS ** LD 19 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** LD 121 GLN LH 54 HIS ** LH 368 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LH 371 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** LJ 121 HIS LJ 205 HIS LK 483 GLN LK 534 HIS ** LK 547 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** LK 563 GLN ** LL 507 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LL 547 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LN 264 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LN 354 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** LN 384 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** LN 515 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LN 519 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** LN 595 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** LN 674 GLN LO 301 HIS LO 401 ASN LO 449 ASN LO 815 HIS ** LO 879 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** LP 59 GLN ** LP 296 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** LP 478 ASN LQ 297 HIS ** LQ 632 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** LS 316 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** LT 107 HIS LT 405 GLN LT 507 ASN LT 589 HIS LU 70 ASN ** LU 75 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** LU 176 GLN LU 242 ASN LW 202 ASN LW 333 HIS NA 431 GLN NB 436 HIS ** NG 38 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** NG 113 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** NJ 260 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** NJ 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** NJ 364 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** NJ 372 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** NJ 799 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** NW 47 GLN NW 114 HIS ** NW 299 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SA 113 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** SA 196 HIS SA 364 ASN ** SB 285 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** SD 242 GLN SE 77 ASN SE 117 GLN SF 120 GLN SI 174 HIS SQ 696 ASN SS 156 GLN ** SS 195 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** SP 769 HIS SP 865 GLN ** SP1004 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** LM 9 GLN LM 139 HIS ** LM 489 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** LM 610 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** LM 661 ASN ** LM 754 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** LM1002 ASN SG 396 HIS ** ST 818 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** NY 80 GLN ** NY 153 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** NY 237 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 47 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7704 moved from start: 0.2662 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.007 0.130 230261 Z= 0.465 Angle : 0.736 21.008 321169 Z= 0.381 Chirality : 0.045 0.331 39198 Planarity : 0.005 0.089 35187 Dihedral : 13.384 178.961 49214 Min Nonbonded Distance : 1.050 Molprobity Statistics. All-atom Clashscore : 10.11 Ramachandran Plot: Outliers : 0.00 % Allowed : 3.38 % Favored : 96.61 % Rotamer Outliers : 1.67 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.74 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 0.34 (0.05), residues: 24631 helix: 1.45 (0.05), residues: 9980 sheet: 0.10 (0.08), residues: 4384 loop : -0.91 (0.06), residues: 10267 *********************** REFINEMENT MACRO_CYCLE 3 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 49262 Ramachandran restraints generated. 24631 Oldfield, 0 Emsley, 24631 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 49262 Ramachandran restraints generated. 24631 Oldfield, 0 Emsley, 24631 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1200 residues out of total 21968 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 260 poor density : 940 time to evaluate : 17.078 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: 260 outliers final: 134 residues processed: 1150 average time/residue: 1.6486 time to fit residues: 3485.8688 Evaluate side-chains 963 residues out of total 21968 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 134 poor density : 829 time to evaluate : 15.189 Switching outliers to nearest non-outliers outliers start: 134 outliers final: 0 residues processed: 134 average time/residue: 1.3704 time to fit residues: 371.4725 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 2632 random chunks: chunk 2365 optimal weight: 6.9990 chunk 1800 optimal weight: 0.9990 chunk 1242 optimal weight: 7.9990 chunk 265 optimal weight: 0.9990 chunk 1142 optimal weight: 0.8980 chunk 1607 optimal weight: 30.0000 chunk 2403 optimal weight: 0.0770 chunk 2544 optimal weight: 8.9990 chunk 1255 optimal weight: 10.0000 chunk 2277 optimal weight: 5.9990 chunk 685 optimal weight: 0.6980 overall best weight: 0.7342 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: L5 83 ASN L7 163 GLN ** LH 368 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LH 371 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** LJ 121 HIS ** LK 507 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LK 553 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** LK 563 GLN ** LL 507 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LL 547 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LN 515 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** LN 519 HIS LO 123 HIS ** LO 879 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LP 59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LP 296 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** LP 578 GLN ** LQ 632 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** LT 394 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** LT 507 ASN ** LU 12 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LU 75 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** NG 113 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** NJ 260 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** NJ 318 ASN ** NJ 364 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** NJ 799 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** NW 47 GLN ** NW 143 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** NW 299 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** SA 219 ASN ** SC 296 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** SK 76 ASN ** SK 101 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** SK 139 GLN SS 195 ASN ** SP1004 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** LM 489 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** LM 610 ASN LM 890 GLN ** ST 818 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** NY 153 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 16 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7600 moved from start: 0.2680 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.002 0.114 230261 Z= 0.138 Angle : 0.534 19.141 321169 Z= 0.274 Chirality : 0.038 0.318 39198 Planarity : 0.003 0.082 35187 Dihedral : 12.979 179.889 49214 Min Nonbonded Distance : 1.204 Molprobity Statistics. All-atom Clashscore : 6.94 Ramachandran Plot: Outliers : 0.01 % Allowed : 2.08 % Favored : 97.91 % Rotamer Outliers : 0.98 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.74 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 0.94 (0.05), residues: 24631 helix: 2.10 (0.05), residues: 9980 sheet: 0.30 (0.08), residues: 4370 loop : -0.69 (0.06), residues: 10281 *********************** REFINEMENT MACRO_CYCLE 4 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 49262 Ramachandran restraints generated. 24631 Oldfield, 0 Emsley, 24631 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 49262 Ramachandran restraints generated. 24631 Oldfield, 0 Emsley, 24631 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1167 residues out of total 21968 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 153 poor density : 1014 time to evaluate : 15.420 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 outliers start: 153 outliers final: 64 residues processed: 1132 average time/residue: 1.6950 time to fit residues: 3515.1280 Evaluate side-chains 934 residues out of total 21968 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 64 poor density : 870 time to evaluate : 16.764 Switching outliers to nearest non-outliers outliers start: 64 outliers final: 0 residues processed: 64 average time/residue: 1.4786 time to fit residues: 202.1754 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=3.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 2632 random chunks: chunk 2118 optimal weight: 50.0000 chunk 1444 optimal weight: 3.9990 chunk 36 optimal weight: 20.0000 chunk 1894 optimal weight: 40.0000 chunk 1049 optimal weight: 4.9990 chunk 2170 optimal weight: 9.9990 chunk 1758 optimal weight: 2.9990 chunk 3 optimal weight: 50.0000 chunk 1299 optimal weight: 50.0000 chunk 2283 optimal weight: 10.0000 chunk 641 optimal weight: 5.9990 overall best weight: 5.5990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** L4 197 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LH 368 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LH 371 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LH 409 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** LH 452 ASN LJ 121 HIS ** LJ 420 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** LK 483 GLN ** LK 507 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** LL 250 GLN LL 370 HIS ** LL 507 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LL 547 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** LN 51 GLN LN 264 GLN LN 515 GLN LN 599 HIS LO 91 HIS ** LO 879 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LQ 632 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** LT 394 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LU 75 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** LU 383 HIS ** ND 180 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** NG 38 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** NG 113 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** NJ 260 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** NJ 364 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** NJ 799 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** NW 47 GLN ** NW 252 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** NW 299 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SA 113 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SB 285 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** SB 311 HIS ** SC 287 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SC 296 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** SH 18 GLN ** SH 60 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SH 68 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** SI 869 GLN SI 974 GLN SK 76 ASN ** SK 101 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SK 139 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** SM 142 HIS SS 691 HIS ** SP 95 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** SP 851 ASN ** SP1004 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** LM 155 ASN ** LM 943 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** LM 993 HIS ST 818 GLN ** NY 153 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** NY 237 GLN Total number of N/Q/H flips: 24 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7717 moved from start: 0.3189 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.007 0.112 230261 Z= 0.434 Angle : 0.688 19.129 321169 Z= 0.352 Chirality : 0.043 0.322 39198 Planarity : 0.005 0.088 35187 Dihedral : 13.113 179.175 49214 Min Nonbonded Distance : 1.009 Molprobity Statistics. All-atom Clashscore : 10.09 Ramachandran Plot: Outliers : 0.02 % Allowed : 3.69 % Favored : 96.29 % Rotamer Outliers : 1.56 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.74 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 0.59 (0.05), residues: 24631 helix: 1.85 (0.05), residues: 9987 sheet: -0.03 (0.08), residues: 4404 loop : -0.88 (0.06), residues: 10240 *********************** REFINEMENT MACRO_CYCLE 5 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 49262 Ramachandran restraints generated. 24631 Oldfield, 0 Emsley, 24631 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 49262 Ramachandran restraints generated. 24631 Oldfield, 0 Emsley, 24631 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1116 residues out of total 21968 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 243 poor density : 873 time to evaluate : 15.681 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 outliers start: 243 outliers final: 130 residues processed: 1072 average time/residue: 1.6545 time to fit residues: 3255.5134 Evaluate side-chains 954 residues out of total 21968 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 130 poor density : 824 time to evaluate : 15.277 Switching outliers to nearest non-outliers outliers start: 130 outliers final: 0 residues processed: 130 average time/residue: 1.4466 time to fit residues: 381.6246 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=3.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 2632 random chunks: chunk 855 optimal weight: 0.9980 chunk 2291 optimal weight: 8.9990 chunk 502 optimal weight: 4.9990 chunk 1493 optimal weight: 0.9980 chunk 628 optimal weight: 0.9980 chunk 2546 optimal weight: 6.9990 chunk 2113 optimal weight: 30.0000 chunk 1179 optimal weight: 5.9990 chunk 211 optimal weight: 1.9990 chunk 842 optimal weight: 0.0870 chunk 1336 optimal weight: 50.0000 overall best weight: 1.0160 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** L4 67 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L4 197 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** L7 163 GLN ** LH 368 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LH 371 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** LH 452 ASN LK 483 GLN ** LK 507 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** LK 563 GLN ** LL 507 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LL 547 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** LN 264 GLN LO 478 GLN ** LO 879 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LQ 632 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** LU 75 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** ND 180 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** NG 113 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** NJ 260 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** NJ 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** NJ 799 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** NM 40 ASN ** NO 92 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** NW 47 GLN ** NW 299 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** SA 31 GLN SA 43 HIS SA 113 GLN SC 287 GLN ** SC 296 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SH 68 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** SI1134 GLN SK 76 ASN ** SK 101 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** SM 153 HIS SS 691 HIS ** SP1004 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** LM 943 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** LM1023 GLN ** NY 153 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** NY 237 GLN Total number of N/Q/H flips: 18 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7635 moved from start: 0.3209 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.002 0.130 230261 Z= 0.141 Angle : 0.525 18.799 321169 Z= 0.269 Chirality : 0.038 0.318 39198 Planarity : 0.003 0.089 35187 Dihedral : 12.846 179.497 49214 Min Nonbonded Distance : 1.184 Molprobity Statistics. All-atom Clashscore : 7.58 Ramachandran Plot: Outliers : 0.01 % Allowed : 2.36 % Favored : 97.63 % Rotamer Outliers : 0.68 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.74 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 1.00 (0.05), residues: 24631 helix: 2.28 (0.05), residues: 9995 sheet: 0.15 (0.08), residues: 4390 loop : -0.74 (0.06), residues: 10246 *********************** REFINEMENT MACRO_CYCLE 6 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 49262 Ramachandran restraints generated. 24631 Oldfield, 0 Emsley, 24631 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 49262 Ramachandran restraints generated. 24631 Oldfield, 0 Emsley, 24631 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1019 residues out of total 21968 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 106 poor density : 913 time to evaluate : 15.238 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 outliers start: 106 outliers final: 43 residues processed: 998 average time/residue: 1.6010 time to fit residues: 2937.0349 Evaluate side-chains 897 residues out of total 21968 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 43 poor density : 854 time to evaluate : 15.266 Switching outliers to nearest non-outliers outliers start: 43 outliers final: 0 residues processed: 43 average time/residue: 1.4530 time to fit residues: 140.0846 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=2.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 2632 random chunks: chunk 2455 optimal weight: 0.8980 chunk 287 optimal weight: 8.9990 chunk 1450 optimal weight: 0.9990 chunk 1859 optimal weight: 0.3980 chunk 1440 optimal weight: 0.6980 chunk 2143 optimal weight: 20.0000 chunk 1422 optimal weight: 0.7980 chunk 2536 optimal weight: 20.0000 chunk 1587 optimal weight: 0.8980 chunk 1546 optimal weight: 0.7980 chunk 1171 optimal weight: 2.9990 overall best weight: 0.7180 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** L4 197 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** L6 225 GLN L7 163 GLN ** LH 368 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LH 371 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** LH 594 ASN LJ 70 GLN LK 468 GLN LK 479 ASN ** LK 507 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LL 507 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LL 547 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** LN 334 HIS ** LN 350 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LO 879 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LQ 632 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** LU 75 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** LZ 50 GLN ND 169 ASN ** ND 180 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ND 236 GLN NF 90 HIS ** NG 113 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** NJ 260 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** NJ 782 GLN ** NJ 799 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** NW 252 GLN ** NW 299 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SC 296 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SH 68 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** SK 101 ASN LM 697 ASN ** LM 943 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** NY 153 ASN Total number of N/Q/H flips: 16 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7609 moved from start: 0.3313 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.002 0.129 230261 Z= 0.128 Angle : 0.503 18.290 321169 Z= 0.256 Chirality : 0.038 0.319 39198 Planarity : 0.003 0.092 35187 Dihedral : 12.621 179.755 49214 Min Nonbonded Distance : 1.158 Molprobity Statistics. All-atom Clashscore : 7.17 Ramachandran Plot: Outliers : 0.01 % Allowed : 2.55 % Favored : 97.45 % Rotamer Outliers : 0.60 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.74 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 1.23 (0.05), residues: 24631 helix: 2.48 (0.05), residues: 10008 sheet: 0.26 (0.08), residues: 4414 loop : -0.63 (0.06), residues: 10209 *********************** REFINEMENT MACRO_CYCLE 7 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 49262 Ramachandran restraints generated. 24631 Oldfield, 0 Emsley, 24631 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 49262 Ramachandran restraints generated. 24631 Oldfield, 0 Emsley, 24631 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1023 residues out of total 21968 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 93 poor density : 930 time to evaluate : 15.083 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 outliers start: 93 outliers final: 30 residues processed: 999 average time/residue: 1.5827 time to fit residues: 2883.3076 Evaluate side-chains 892 residues out of total 21968 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 30 poor density : 862 time to evaluate : 15.137 Switching outliers to nearest non-outliers outliers start: 30 outliers final: 0 residues processed: 30 average time/residue: 1.4093 time to fit residues: 101.7662 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=2.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 2632 random chunks: chunk 1569 optimal weight: 4.9990 chunk 1013 optimal weight: 0.9980 chunk 1515 optimal weight: 0.9990 chunk 764 optimal weight: 0.8980 chunk 498 optimal weight: 0.9980 chunk 491 optimal weight: 8.9990 chunk 1612 optimal weight: 0.8980 chunk 1728 optimal weight: 3.9990 chunk 1254 optimal weight: 7.9990 chunk 236 optimal weight: 6.9990 chunk 1994 optimal weight: 8.9990 overall best weight: 0.9582 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: L4 197 ASN LG 29 GLN ** LH 368 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LH 371 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** LH 594 ASN LH 649 GLN LJ 70 GLN ** LK 507 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LK 547 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** LL 370 HIS ** LL 507 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LL 547 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LO 879 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LQ 632 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** LU 75 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** LU 393 HIS ** ND 180 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** NG 113 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** NJ 260 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** NJ 799 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** NW 143 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** NW 299 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** SB 209 GLN ** SC 296 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** SK 89 HIS SM 112 GLN ** LM 943 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** LM1002 ASN ** NY 153 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 11 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7603 moved from start: 0.3421 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.002 0.159 230261 Z= 0.130 Angle : 0.499 17.827 321169 Z= 0.252 Chirality : 0.037 0.320 39198 Planarity : 0.003 0.098 35187 Dihedral : 12.483 179.893 49214 Min Nonbonded Distance : 1.146 Molprobity Statistics. All-atom Clashscore : 7.20 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.46 % Favored : 97.53 % Rotamer Outliers : 0.35 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.74 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 1.31 (0.05), residues: 24631 helix: 2.56 (0.05), residues: 10003 sheet: 0.31 (0.08), residues: 4410 loop : -0.60 (0.06), residues: 10218 *********************** REFINEMENT MACRO_CYCLE 8 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 49262 Ramachandran restraints generated. 24631 Oldfield, 0 Emsley, 24631 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 49262 Ramachandran restraints generated. 24631 Oldfield, 0 Emsley, 24631 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 974 residues out of total 21968 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 55 poor density : 919 time to evaluate : 15.471 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 outliers start: 55 outliers final: 25 residues processed: 962 average time/residue: 1.5805 time to fit residues: 2787.5747 Evaluate side-chains 892 residues out of total 21968 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 25 poor density : 867 time to evaluate : 16.898 Switching outliers to nearest non-outliers outliers start: 25 outliers final: 0 residues processed: 25 average time/residue: 1.6942 time to fit residues: 99.9094 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 2632 random chunks: chunk 2307 optimal weight: 50.0000 chunk 2430 optimal weight: 9.9990 chunk 2217 optimal weight: 0.0980 chunk 2363 optimal weight: 50.0000 chunk 2429 optimal weight: 9.9990 chunk 1422 optimal weight: 6.9990 chunk 1029 optimal weight: 5.9990 chunk 1856 optimal weight: 50.0000 chunk 725 optimal weight: 0.5980 chunk 2136 optimal weight: 50.0000 chunk 2235 optimal weight: 5.9990 overall best weight: 3.9386 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: L7 163 GLN ** LH 368 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LH 371 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** LJ 408 ASN LJ 420 HIS ** LK 468 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** LK 483 GLN ** LK 507 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LL 507 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LL 547 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** LN 27 GLN ** LO 879 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LQ 632 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** LU 75 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** ND 180 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** NG 38 ASN ** NG 113 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** NJ 42 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** NJ 260 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** NJ 364 HIS ** NJ 372 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** NJ 797 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** NJ 799 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** NW 209 ASN ** NW 299 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** SB 209 GLN ** SC 296 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SH 60 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SP1004 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** LM 373 GLN ** LM 943 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** NY 153 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 10 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7685 moved from start: 0.3646 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.005 0.174 230261 Z= 0.315 Angle : 0.592 17.516 321169 Z= 0.302 Chirality : 0.040 0.344 39198 Planarity : 0.004 0.130 35187 Dihedral : 12.599 179.931 49214 Min Nonbonded Distance : 1.044 Molprobity Statistics. All-atom Clashscore : 8.76 Ramachandran Plot: Outliers : 0.00 % Allowed : 3.52 % Favored : 96.48 % Rotamer Outliers : 0.46 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.74 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 1.08 (0.05), residues: 24631 helix: 2.38 (0.05), residues: 10007 sheet: 0.13 (0.08), residues: 4394 loop : -0.71 (0.06), residues: 10230 *********************** REFINEMENT MACRO_CYCLE 9 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 49262 Ramachandran restraints generated. 24631 Oldfield, 0 Emsley, 24631 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 49262 Ramachandran restraints generated. 24631 Oldfield, 0 Emsley, 24631 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 928 residues out of total 21968 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 72 poor density : 856 time to evaluate : 17.010 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 72 outliers final: 35 residues processed: 905 average time/residue: 1.7144 time to fit residues: 2872.1272 Evaluate side-chains 862 residues out of total 21968 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 35 poor density : 827 time to evaluate : 15.624 Switching outliers to nearest non-outliers outliers start: 35 outliers final: 0 residues processed: 35 average time/residue: 1.4675 time to fit residues: 118.7495 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 2632 random chunks: chunk 2355 optimal weight: 5.9990 chunk 1552 optimal weight: 0.8980 chunk 2499 optimal weight: 50.0000 chunk 1525 optimal weight: 0.0020 chunk 1185 optimal weight: 4.9990 chunk 1737 optimal weight: 1.9990 chunk 2622 optimal weight: 6.9990 chunk 2413 optimal weight: 0.0980 chunk 2088 optimal weight: 9.9990 chunk 216 optimal weight: 5.9990 chunk 1612 optimal weight: 0.0370 overall best weight: 0.6068 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** LH 368 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LH 371 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LH 409 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** LH 594 ASN ** LK 468 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** LK 483 GLN ** LK 507 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LK 547 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LL 507 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LL 547 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LO 879 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LQ 632 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** LT 85 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** LU 75 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** NA 493 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ND 169 ASN ** ND 180 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** NG 113 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** NJ 42 HIS ** NJ 260 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** NJ 372 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** NJ 782 GLN ** NJ 799 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** NO 92 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** NW 143 HIS ** NW 299 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** SB 209 GLN SB 253 ASN ** SC 296 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** SI 253 HIS ** LM 943 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** NY 153 ASN Total number of N/Q/H flips: 10 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7606 moved from start: 0.3698 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.002 0.393 230261 Z= 0.147 Angle : 0.520 18.700 321169 Z= 0.264 Chirality : 0.037 0.322 39198 Planarity : 0.003 0.139 35187 Dihedral : 12.422 179.461 49214 Min Nonbonded Distance : 1.216 Molprobity Statistics. All-atom Clashscore : 7.42 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.28 % Favored : 97.72 % Rotamer Outliers : 0.08 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.74 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 1.32 (0.05), residues: 24631 helix: 2.59 (0.05), residues: 10016 sheet: 0.28 (0.08), residues: 4404 loop : -0.61 (0.06), residues: 10211 ********************** REFINEMENT MACRO_CYCLE 10 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 49262 Ramachandran restraints generated. 24631 Oldfield, 0 Emsley, 24631 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 49262 Ramachandran restraints generated. 24631 Oldfield, 0 Emsley, 24631 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 919 residues out of total 21968 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 13 poor density : 906 time to evaluate : 15.381 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 outliers start: 13 outliers final: 5 residues processed: 914 average time/residue: 1.5739 time to fit residues: 2637.8185 Evaluate side-chains 862 residues out of total 21968 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 5 poor density : 857 time to evaluate : 15.118 Switching outliers to nearest non-outliers outliers start: 5 outliers final: 0 residues processed: 5 average time/residue: 1.3469 time to fit residues: 32.4632 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 2632 random chunks: chunk 1280 optimal weight: 10.0000 chunk 1658 optimal weight: 8.9990 chunk 2224 optimal weight: 2.9990 chunk 639 optimal weight: 3.9990 chunk 1925 optimal weight: 0.0170 chunk 308 optimal weight: 3.9990 chunk 580 optimal weight: 0.6980 chunk 2091 optimal weight: 40.0000 chunk 875 optimal weight: 0.9990 chunk 2147 optimal weight: 30.0000 chunk 264 optimal weight: 3.9990 overall best weight: 1.7424 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** LH 368 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LH 371 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** LH 594 ASN ** LK 507 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** LK 534 HIS ** LK 547 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LL 507 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LL 547 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LO 879 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LQ 632 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** LU 75 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** ND 180 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** NG 113 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** NJ 260 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** NJ 372 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** NJ 797 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** NJ 799 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** NO 92 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** NW 299 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** SB 209 GLN ** SC 296 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SP1004 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** LM 943 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** NY 153 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 = 0.3951 r_free = 0.3951 target = 0.103868 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 48)----------------| | r_work = 0.3517 r_free = 0.3517 target = 0.083418 restraints weight = 874763.510| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 2; iterations = 28)----------------| | r_work = 0.3488 r_free = 0.3488 target = 0.082849 restraints weight = 1623875.097| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 3; iterations = 28)----------------| | r_work = 0.3501 r_free = 0.3501 target = 0.083358 restraints weight = 1183861.073| |-----------------------------------------------------------------------------| r_work (final): 0.3481 ------------------------------------------------------------------------------- Occupancy refinement ******************** r_start: 0.3951 |-occupancy refinement: start-------------------------------------------------| | r_work = 0.3951 r_free = 0.3951 target_work(ls_wunit_k1) = 0.104 | | occupancies: max = 1.00 min = 1.00 number of occupancies < 0.1: 0 | |-----------------------------------------------------------------------------| |-occupancy refinement: end---------------------------------------------------| | r_work = 0.3951 r_free = 0.3951 target_work(ls_wunit_k1) = 0.104 | | occupancies: max = 1.00 min = 0.91 number of occupancies < 0.1: 0 | |-----------------------------------------------------------------------------| r_final: 0.3951 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7554 moved from start: 0.3783 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.003 0.537 230261 Z= 0.182 Angle : 0.523 24.653 321169 Z= 0.266 Chirality : 0.038 0.340 39198 Planarity : 0.003 0.138 35187 Dihedral : 12.362 179.885 49214 Min Nonbonded Distance : 1.099 Molprobity Statistics. All-atom Clashscore : 7.74 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.82 % Favored : 97.17 % Rotamer Outliers : 0.18 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.74 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 1.34 (0.05), residues: 24631 helix: 2.62 (0.05), residues: 10008 sheet: 0.27 (0.08), residues: 4420 loop : -0.60 (0.06), residues: 10203 =============================================================================== Job complete usr+sys time: 47018.98 seconds wall clock time: 822 minutes 40.31 seconds (49360.31 seconds total)