Starting phenix.real_space_refine (version: 1.21rc1) on Thu Apr 20 13:22:26 2023 by dcliebschner =============================================================================== Processing files: ------------------------------------------------------------------------------- Found model, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6rd4_4805/04_2023/6rd4_4805_updated.pdb Found real_map, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6rd4_4805/04_2023/6rd4_4805.map Processing PHIL parameters: ------------------------------------------------------------------------------- Adding command-line PHIL: ------------------------- refinement.macro_cycles=10 scattering_table=electron resolution=2.9 write_initial_geo_file=False Final processed PHIL parameters: ------------------------------------------------------------------------------- data_manager { real_map_files = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6rd4_4805/04_2023/6rd4_4805.map" default_real_map = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6rd4_4805/04_2023/6rd4_4805.map" model { file = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6rd4_4805/04_2023/6rd4_4805_updated.pdb" } default_model = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6rd4_4805/04_2023/6rd4_4805_updated.pdb" } resolution = 2.9 write_initial_geo_file = False refinement { macro_cycles = 10 } Starting job =============================================================================== ------------------------------------------------------------------------------- Citation: ********* Afonine PV, Poon BK, Read RJ, Sobolev OV, Terwilliger TC, Urzhumtsev A, Adams PD. (2018) Real-space refinement in PHENIX for cryo-EM and crystallography. Acta Cryst. D74:531-544. Validating inputs ------------------------------------------------------------------------------- Processing inputs ***************** Set random seed Set to: 0 Set model cs if undefined Decide on map wrapping Map wrapping is set to: False Normalize map: mean=0, sd=1 Input map: mean= 0.003 sd= 1.264 Set stop_for_unknowns flag Set to: True Assert model is a single copy model Assert all atoms have isotropic ADPs Construct map_model_manager Extract box with map and model Check model and map are aligned Set scattering table Set to: electron Number of scattering types: 7 Type Number sf(0) Gaussians Zn 2 6.06 5 P 26 5.49 5 Mg 10 5.21 5 S 298 5.16 5 C 68594 2.51 5 N 18224 2.21 5 O 20398 1.98 5 sf(0) = scattering factor at diffraction angle 0. Process input model Symmetric amino acids flipped Residue "1 TYR 23": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 ARG 28": "NH1" <-> "NH2" Residue "1 PHE 31": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 ARG 150": "NH1" <-> "NH2" Residue "1 ASP 172": "OD1" <-> "OD2" Residue "1 ARG 182": "NH1" <-> "NH2" Residue "1 ASP 199": "OD1" <-> "OD2" Residue "1 GLU 215": "OE1" <-> "OE2" Residue "1 GLU 229": "OE1" <-> "OE2" Residue "1 ARG 259": "NH1" <-> "NH2" Residue "1 GLU 299": "OE1" <-> "OE2" Residue "1 PHE 321": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 GLU 329": "OE1" <-> "OE2" Residue "1 GLU 341": "OE1" <-> "OE2" Residue "1 GLU 350": "OE1" <-> "OE2" Residue "1 GLU 352": "OE1" <-> "OE2" Residue "1 ASP 353": "OD1" <-> "OD2" Residue "1 ARG 359": "NH1" <-> "NH2" Residue "1 GLU 378": "OE1" <-> "OE2" Residue "1 GLU 385": "OE1" <-> "OE2" Residue "1 ARG 387": "NH1" <-> "NH2" Residue "1 TYR 395": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 GLU 409": "OE1" <-> "OE2" Residue "1 GLU 414": "OE1" <-> "OE2" Residue "1 GLU 415": "OE1" <-> "OE2" Residue "1 TYR 420": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 ARG 434": "NH1" <-> "NH2" Residue "1 PHE 441": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 GLU 496": "OE1" <-> "OE2" Residue "1 ASP 504": "OD1" <-> "OD2" Residue "1 ASP 508": "OD1" <-> "OD2" Residue "1 GLU 513": "OE1" <-> "OE2" Residue "1 ASP 578": "OD1" <-> "OD2" Residue "1 ASP 601": "OD1" <-> "OD2" Residue "1 ARG 609": "NH1" <-> "NH2" Residue "2 ASP 7": "OD1" <-> "OD2" Residue "2 GLU 14": "OE1" <-> "OE2" Residue "2 ASP 16": "OD1" <-> "OD2" Residue "2 ASP 31": "OD1" <-> "OD2" Residue "2 TYR 38": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 ARG 45": "NH1" <-> "NH2" Residue "2 GLU 86": "OE1" <-> "OE2" Residue "2 GLU 134": "OE1" <-> "OE2" Residue "2 TYR 145": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 ARG 173": "NH1" <-> "NH2" Residue "2 ASP 194": "OD1" <-> "OD2" Residue "2 PHE 215": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 PHE 222": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 GLU 225": "OE1" <-> "OE2" Residue "2 ASP 238": "OD1" <-> "OD2" Residue "2 PHE 266": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 GLU 274": "OE1" <-> "OE2" Residue "2 PHE 306": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 PHE 311": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 ASP 316": "OD1" <-> "OD2" Residue "2 GLU 326": "OE1" <-> "OE2" Residue "2 ASP 332": "OD1" <-> "OD2" Residue "2 PHE 341": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 ARG 346": "NH1" <-> "NH2" Residue "2 ASP 367": "OD1" <-> "OD2" Residue "2 ASP 374": "OD1" <-> "OD2" Residue "2 TYR 402": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 TYR 411": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 GLU 420": "OE1" <-> "OE2" Residue "2 TYR 433": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 PHE 445": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 PHE 121": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 ASP 139": "OD1" <-> "OD2" Residue "3 ARG 149": "NH1" <-> "NH2" Residue "3 PHE 158": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 PHE 172": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 PHE 184": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 ARG 213": "NH1" <-> "NH2" Residue "3 TYR 226": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 ARG 233": "NH1" <-> "NH2" Residue "3 ARG 242": "NH1" <-> "NH2" Residue "3 ARG 257": "NH1" <-> "NH2" Residue "3 PHE 273": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 TYR 292": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 ASP 19": "OD1" <-> "OD2" Residue "4 TYR 34": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 GLU 64": "OE1" <-> "OE2" Residue "4 ARG 84": "NH1" <-> "NH2" Residue "4 TYR 85": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 TYR 134": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 GLU 146": "OE1" <-> "OE2" Residue "4 GLU 160": "OE1" <-> "OE2" Residue "4 ARG 176": "NH1" <-> "NH2" Residue "4 ASP 181": "OD1" <-> "OD2" Residue "4 TYR 186": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 GLU 193": "OE1" <-> "OE2" Residue "4 GLU 202": "OE1" <-> "OE2" Residue "4 PHE 204": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 TYR 211": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 ASP 214": "OD1" <-> "OD2" Residue "4 GLU 225": "OE1" <-> "OE2" Residue "4 ASP 231": "OD1" <-> "OD2" Residue "4 ARG 232": "NH1" <-> "NH2" Residue "4 ARG 255": "NH1" <-> "NH2" Residue "4 TYR 268": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 GLU 6": "OE1" <-> "OE2" Residue "5 ARG 36": "NH1" <-> "NH2" Residue "5 ARG 50": "NH1" <-> "NH2" Residue "5 ARG 112": "NH1" <-> "NH2" Residue "6 PHE 80": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "6 PHE 146": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "7 PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "7 ASP 25": "OD1" <-> "OD2" Residue "7 ARG 81": "NH1" <-> "NH2" Residue "7 TYR 101": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "7 ASP 109": "OD1" <-> "OD2" Residue "7 PHE 110": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "7 TYR 131": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "7 TYR 161": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "7 ARG 164": "NH1" <-> "NH2" Residue "7 ARG 165": "NH1" <-> "NH2" Residue "7 ARG 166": "NH1" <-> "NH2" Residue "7 PHE 185": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "8 ARG 13": "NH1" <-> "NH2" Residue "8 ARG 65": "NH1" <-> "NH2" Residue "8 GLU 75": "OE1" <-> "OE2" Residue "8 TYR 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "9 PHE 6": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "9 GLU 12": "OE1" <-> "OE2" Residue "9 PHE 15": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "9 TYR 16": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "9 ARG 28": "NH1" <-> "NH2" Residue "9 ARG 40": "NH1" <-> "NH2" Residue "9 PHE 57": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "9 PHE 63": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "9 GLU 74": "OE1" <-> "OE2" Residue "9 GLU 88": "OE1" <-> "OE2" Residue "C PHE 122": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E GLU 111": "OE1" <-> "OE2" Residue "F GLU 111": "OE1" <-> "OE2" Residue "G GLU 111": "OE1" <-> "OE2" Residue "M ARG 115": "NH1" <-> "NH2" Residue "M ASP 132": "OD1" <-> "OD2" Residue "M ARG 145": "NH1" <-> "NH2" Residue "M PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M PHE 202": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M PHE 204": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M ARG 232": "NH1" <-> "NH2" Residue "M ARG 239": "NH1" <-> "NH2" Residue "M PHE 299": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P ASP 72": "OD1" <-> "OD2" Residue "P PHE 81": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P PHE 122": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P GLU 136": "OE1" <-> "OE2" Residue "P GLU 142": "OE1" <-> "OE2" Residue "P PHE 182": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P ASP 191": "OD1" <-> "OD2" Residue "P PHE 198": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P ARG 206": "NH1" <-> "NH2" Residue "P PHE 218": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q TYR 9": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q TYR 19": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q GLU 33": "OE1" <-> "OE2" Residue "Q ARG 42": "NH1" <-> "NH2" Residue "Q ARG 48": "NH1" <-> "NH2" Residue "Q TYR 52": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q ASP 54": "OD1" <-> "OD2" Residue "R GLU 32": "OE1" <-> "OE2" Residue "R PHE 33": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R GLU 35": "OE1" <-> "OE2" Residue "R PHE 50": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R ASP 95": "OD1" <-> "OD2" Residue "R GLU 123": "OE1" <-> "OE2" Residue "R ASP 174": "OD1" <-> "OD2" Residue "R PHE 176": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S ARG 46": "NH1" <-> "NH2" Residue "S ASP 91": "OD1" <-> "OD2" Residue "S ASP 144": "OD1" <-> "OD2" Residue "S ARG 147": "NH1" <-> "NH2" Residue "S ARG 152": "NH1" <-> "NH2" Residue "S ARG 157": "NH1" <-> "NH2" Residue "S TYR 158": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S ASP 164": "OD1" <-> "OD2" Residue "S PHE 172": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S TYR 190": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S ASP 214": "OD1" <-> "OD2" Residue "S GLU 238": "OE1" <-> "OE2" Residue "S ARG 244": "NH1" <-> "NH2" Residue "S TYR 292": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S GLU 306": "OE1" <-> "OE2" Residue "T ARG 49": "NH1" <-> "NH2" Residue "T GLU 74": "OE1" <-> "OE2" Residue "T ARG 86": "NH1" <-> "NH2" Residue "T ASP 135": "OD1" <-> "OD2" Residue "T ASP 142": "OD1" <-> "OD2" Residue "T ARG 162": "NH1" <-> "NH2" Residue "T ASP 172": "OD1" <-> "OD2" Residue "T ARG 195": "NH1" <-> "NH2" Residue "T ARG 199": "NH1" <-> "NH2" Residue "T PHE 203": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T TYR 256": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T TYR 259": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T ARG 283": "NH1" <-> "NH2" Residue "T TYR 284": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T ASP 294": "OD1" <-> "OD2" Residue "T TYR 324": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T ASP 325": "OD1" <-> "OD2" Residue "T ASP 403": "OD1" <-> "OD2" Residue "T PHE 413": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T ARG 418": "NH1" <-> "NH2" Residue "T ARG 429": "NH1" <-> "NH2" Residue "T PHE 436": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T ARG 454": "NH1" <-> "NH2" Residue "T GLU 455": "OE1" <-> "OE2" Residue "T PHE 459": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T PHE 489": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T ASP 510": "OD1" <-> "OD2" Residue "T GLU 522": "OE1" <-> "OE2" Residue "T ASP 547": "OD1" <-> "OD2" Residue "T ARG 555": "NH1" <-> "NH2" Residue "U GLU 47": "OE1" <-> "OE2" Residue "U ARG 49": "NH1" <-> "NH2" Residue "U ASP 92": "OD1" <-> "OD2" Residue "U ARG 96": "NH1" <-> "NH2" Residue "U TYR 98": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U TYR 145": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U ARG 146": "NH1" <-> "NH2" Residue "U ARG 162": "NH1" <-> "NH2" Residue "U ARG 181": "NH1" <-> "NH2" Residue "U ARG 199": "NH1" <-> "NH2" Residue "U PHE 203": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U GLU 221": "OE1" <-> "OE2" Residue "U ARG 227": "NH1" <-> "NH2" Residue "U ASP 237": "OD1" <-> "OD2" Residue "U ARG 254": "NH1" <-> "NH2" Residue "U TYR 256": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U TYR 259": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U PHE 276": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U ARG 283": "NH1" <-> "NH2" Residue "U TYR 284": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U GLU 311": "OE1" <-> "OE2" Residue "U PHE 313": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U ARG 314": "NH1" <-> "NH2" Residue "U ARG 342": "NH1" <-> "NH2" Residue "U ARG 343": "NH1" <-> "NH2" Residue "U ARG 364": "NH1" <-> "NH2" Residue "U PHE 380": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U GLU 409": "OE1" <-> "OE2" Residue "U PHE 413": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U PHE 436": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U GLU 449": "OE1" <-> "OE2" Residue "U ARG 454": "NH1" <-> "NH2" Residue "U PHE 459": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U PHE 462": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U ASP 467": "OD1" <-> "OD2" Residue "U GLU 475": "OE1" <-> "OE2" Residue "U ARG 479": "NH1" <-> "NH2" Residue "U ARG 496": "NH1" <-> "NH2" Residue "U TYR 502": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U ARG 513": "NH1" <-> "NH2" Residue "U GLU 521": "OE1" <-> "OE2" Residue "U PHE 533": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U ASP 547": "OD1" <-> "OD2" Residue "V GLU 47": "OE1" <-> "OE2" Residue "V ARG 49": "NH1" <-> "NH2" Residue "V PHE 53": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V PHE 132": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V ASP 142": "OD1" <-> "OD2" Residue "V TYR 145": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V ARG 181": "NH1" <-> "NH2" Residue "V ASP 210": "OD1" <-> "OD2" Residue "V ARG 217": "NH1" <-> "NH2" Residue "V ARG 220": "NH1" <-> "NH2" Residue "V TYR 256": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V ARG 266": "NH1" <-> "NH2" Residue "V PHE 276": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V TYR 284": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V PHE 313": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V ARG 314": "NH1" <-> "NH2" Residue "V ARG 335": "NH1" <-> "NH2" Residue "V ARG 342": "NH1" <-> "NH2" Residue "V ARG 343": "NH1" <-> "NH2" Residue "V ARG 347": "NH1" <-> "NH2" Residue "V ARG 360": "NH1" <-> "NH2" Residue "V PHE 380": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V ASP 403": "OD1" <-> "OD2" Residue "V GLU 409": "OE1" <-> "OE2" Residue "V PHE 413": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V ARG 429": "NH1" <-> "NH2" Residue "V ARG 454": "NH1" <-> "NH2" Residue "V PHE 459": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V ASP 465": "OD1" <-> "OD2" Residue "V GLU 475": "OE1" <-> "OE2" Residue "V ARG 476": "NH1" <-> "NH2" Residue "V GLU 482": "OE1" <-> "OE2" Residue "V PHE 489": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V ARG 496": "NH1" <-> "NH2" Residue "V TYR 502": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V ARG 513": "NH1" <-> "NH2" Residue "V GLU 521": "OE1" <-> "OE2" Residue "V GLU 522": "OE1" <-> "OE2" Residue "V GLU 553": "OE1" <-> "OE2" Residue "V ARG 555": "NH1" <-> "NH2" Residue "X ARG 51": "NH1" <-> "NH2" Residue "X ASP 82": "OD1" <-> "OD2" Residue "X ASP 91": "OD1" <-> "OD2" Residue "X ASP 94": "OD1" <-> "OD2" Residue "X ASP 136": "OD1" <-> "OD2" Residue "X GLU 149": "OE1" <-> "OE2" Residue "X PHE 150": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X PHE 182": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X PHE 207": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X PHE 210": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X GLU 215": "OE1" <-> "OE2" Residue "X ARG 218": "NH1" <-> "NH2" Residue "X GLU 219": "OE1" <-> "OE2" Residue "X ARG 225": "NH1" <-> "NH2" Residue "X GLU 238": "OE1" <-> "OE2" Residue "X ARG 239": "NH1" <-> "NH2" Residue "X TYR 248": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X GLU 253": "OE1" <-> "OE2" Residue "X ASP 279": "OD1" <-> "OD2" Residue "X ASP 285": "OD1" <-> "OD2" Residue "X GLU 296": "OE1" <-> "OE2" Residue "X ASP 317": "OD1" <-> "OD2" Residue "X PHE 355": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X ASP 359": "OD1" <-> "OD2" Residue "X TYR 374": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X ASP 378": "OD1" <-> "OD2" Residue "X ARG 385": "NH1" <-> "NH2" Residue "X TYR 397": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X ARG 401": "NH1" <-> "NH2" Residue "X ASP 409": "OD1" <-> "OD2" Residue "X ASP 423": "OD1" <-> "OD2" Residue "X GLU 424": "OE1" <-> "OE2" Residue "X PHE 486": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X GLU 494": "OE1" <-> "OE2" Residue "X GLU 497": "OE1" <-> "OE2" Residue "X ARG 509": "NH1" <-> "NH2" Residue "X GLU 541": "OE1" <-> "OE2" Residue "X ASP 542": "OD1" <-> "OD2" Residue "X GLU 547": "OE1" <-> "OE2" Residue "X GLU 552": "OE1" <-> "OE2" Residue "Y ASP 36": "OD1" <-> "OD2" Residue "Y TYR 39": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y ARG 71": "NH1" <-> "NH2" Residue "Y ARG 86": "NH1" <-> "NH2" Residue "Y ARG 115": "NH1" <-> "NH2" Residue "Y ARG 120": "NH1" <-> "NH2" Residue "Y GLU 131": "OE1" <-> "OE2" Residue "Y ASP 139": "OD1" <-> "OD2" Residue "Y ARG 145": "NH1" <-> "NH2" Residue "Y PHE 150": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y GLU 156": "OE1" <-> "OE2" Residue "Y TYR 173": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y PHE 182": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y GLU 195": "OE1" <-> "OE2" Residue "Y GLU 215": "OE1" <-> "OE2" Residue "Y ARG 258": "NH1" <-> "NH2" Residue "Y GLU 270": "OE1" <-> "OE2" Residue "Y GLU 296": "OE1" <-> "OE2" Residue "Y TYR 310": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y ARG 366": "NH1" <-> "NH2" Residue "Y TYR 374": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y ASP 378": "OD1" <-> "OD2" Residue "Y ARG 385": "NH1" <-> "NH2" Residue "Y ASP 415": "OD1" <-> "OD2" Residue "Y ASP 423": "OD1" <-> "OD2" Residue "Y ASP 429": "OD1" <-> "OD2" Residue "Y PHE 447": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y GLU 451": "OE1" <-> "OE2" Residue "Y PHE 453": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y ASP 465": "OD1" <-> "OD2" Residue "Y PHE 470": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y TYR 487": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y ASP 528": "OD1" <-> "OD2" Residue "Y ASP 543": "OD1" <-> "OD2" Residue "Y PHE 549": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y GLU 552": "OE1" <-> "OE2" Residue "Z TYR 39": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z ARG 51": "NH1" <-> "NH2" Residue "Z ARG 71": "NH1" <-> "NH2" Residue "Z ASP 82": "OD1" <-> "OD2" Residue "Z ARG 86": "NH1" <-> "NH2" Residue "Z ASP 94": "OD1" <-> "OD2" Residue "Z ARG 98": "NH1" <-> "NH2" Residue "Z ASP 104": "OD1" <-> "OD2" Residue "Z ARG 120": "NH1" <-> "NH2" Residue "Z ASP 130": "OD1" <-> "OD2" Residue "Z PHE 210": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z ARG 216": "NH1" <-> "NH2" Residue "Z ARG 258": "NH1" <-> "NH2" Residue "Z GLU 270": "OE1" <-> "OE2" Residue "Z PHE 355": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z ASP 359": "OD1" <-> "OD2" Residue "Z ASP 378": "OD1" <-> "OD2" Residue "Z ARG 385": "NH1" <-> "NH2" Residue "Z ARG 401": "NH1" <-> "NH2" Residue "Z TYR 410": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z ASP 423": "OD1" <-> "OD2" Residue "Z ARG 435": "NH1" <-> "NH2" Residue "Z ARG 437": "NH1" <-> "NH2" Residue "Z PHE 447": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z PHE 453": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z TYR 460": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z ASP 480": "OD1" <-> "OD2" Residue "Z GLU 483": "OE1" <-> "OE2" Residue "Z ARG 509": "NH1" <-> "NH2" Residue "Z ASP 513": "OD1" <-> "OD2" Residue "Z GLU 546": "OE1" <-> "OE2" Residue "Z GLU 547": "OE1" <-> "OE2" Residue "Z PHE 549": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L TYR 23": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L ARG 28": "NH1" <-> "NH2" Residue "L PHE 31": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L ARG 150": "NH1" <-> "NH2" Residue "L ASP 172": "OD1" <-> "OD2" Residue "L ARG 182": "NH1" <-> "NH2" Residue "L ASP 199": "OD1" <-> "OD2" Residue "L GLU 215": "OE1" <-> "OE2" Residue "L GLU 229": "OE1" <-> "OE2" Residue "L ARG 259": "NH1" <-> "NH2" Residue "L GLU 299": "OE1" <-> "OE2" Residue "L PHE 321": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L GLU 329": "OE1" <-> "OE2" Residue "L GLU 341": "OE1" <-> "OE2" Residue "L GLU 350": "OE1" <-> "OE2" Residue "L GLU 352": "OE1" <-> "OE2" Residue "L ASP 353": "OD1" <-> "OD2" Residue "L ARG 359": "NH1" <-> "NH2" Residue "L GLU 378": "OE1" <-> "OE2" Residue "L GLU 385": "OE1" <-> "OE2" Residue "L ARG 387": "NH1" <-> "NH2" Residue "L TYR 395": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L GLU 409": "OE1" <-> "OE2" Residue "L GLU 414": "OE1" <-> "OE2" Residue "L GLU 415": "OE1" <-> "OE2" Residue "L TYR 420": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L ARG 434": "NH1" <-> "NH2" Residue "L PHE 441": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L GLU 496": "OE1" <-> "OE2" Residue "L ASP 504": "OD1" <-> "OD2" Residue "L ASP 508": "OD1" <-> "OD2" Residue "L GLU 513": "OE1" <-> "OE2" Residue "L ASP 578": "OD1" <-> "OD2" Residue "L ASP 601": "OD1" <-> "OD2" Residue "L ARG 609": "NH1" <-> "NH2" Residue "N ASP 7": "OD1" <-> "OD2" Residue "N GLU 14": "OE1" <-> "OE2" Residue "N ASP 16": "OD1" <-> "OD2" Residue "N ASP 31": "OD1" <-> "OD2" Residue "N TYR 38": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N ARG 45": "NH1" <-> "NH2" Residue "N GLU 86": "OE1" <-> "OE2" Residue "N GLU 134": "OE1" <-> "OE2" Residue "N TYR 145": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N ARG 173": "NH1" <-> "NH2" Residue "N ASP 194": "OD1" <-> "OD2" Residue "N PHE 215": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N PHE 222": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N GLU 225": "OE1" <-> "OE2" Residue "N ASP 238": "OD1" <-> "OD2" Residue "N PHE 266": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N GLU 274": "OE1" <-> "OE2" Residue "N PHE 306": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N PHE 311": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N ASP 316": "OD1" <-> "OD2" Residue "N GLU 326": "OE1" <-> "OE2" Residue "N ASP 332": "OD1" <-> "OD2" Residue "N PHE 341": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N ARG 346": "NH1" <-> "NH2" Residue "N ASP 367": "OD1" <-> "OD2" Residue "N ASP 374": "OD1" <-> "OD2" Residue "N TYR 402": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N TYR 411": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N GLU 420": "OE1" <-> "OE2" Residue "N TYR 433": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N PHE 445": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O PHE 121": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O ASP 139": "OD1" <-> "OD2" Residue "O ARG 149": "NH1" <-> "NH2" Residue "O PHE 158": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O PHE 172": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O PHE 184": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O ARG 213": "NH1" <-> "NH2" Residue "O TYR 226": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O ARG 233": "NH1" <-> "NH2" Residue "O ARG 242": "NH1" <-> "NH2" Residue "O ARG 257": "NH1" <-> "NH2" Residue "O PHE 273": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O TYR 292": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W ASP 19": "OD1" <-> "OD2" Residue "W TYR 34": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W GLU 64": "OE1" <-> "OE2" Residue "W ARG 84": "NH1" <-> "NH2" Residue "W TYR 85": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W TYR 134": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W GLU 146": "OE1" <-> "OE2" Residue "W GLU 160": "OE1" <-> "OE2" Residue "W ARG 176": "NH1" <-> "NH2" Residue "W ASP 181": "OD1" <-> "OD2" Residue "W TYR 186": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W GLU 193": "OE1" <-> "OE2" Residue "W GLU 202": "OE1" <-> "OE2" Residue "W PHE 204": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W TYR 211": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W ASP 214": "OD1" <-> "OD2" Residue "W GLU 225": "OE1" <-> "OE2" Residue "W ASP 231": "OD1" <-> "OD2" Residue "W ARG 232": "NH1" <-> "NH2" Residue "W ARG 255": "NH1" <-> "NH2" Residue "W TYR 268": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a GLU 6": "OE1" <-> "OE2" Residue "a ARG 36": "NH1" <-> "NH2" Residue "a ARG 50": "NH1" <-> "NH2" Residue "a ARG 112": "NH1" <-> "NH2" Residue "b PHE 80": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b PHE 146": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c ASP 25": "OD1" <-> "OD2" Residue "c ARG 81": "NH1" <-> "NH2" Residue "c TYR 101": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c ASP 109": "OD1" <-> "OD2" Residue "c PHE 110": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c TYR 131": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c TYR 161": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c ARG 164": "NH1" <-> "NH2" Residue "c ARG 165": "NH1" <-> "NH2" Residue "c ARG 166": "NH1" <-> "NH2" Residue "c PHE 185": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d ARG 13": "NH1" <-> "NH2" Residue "d ARG 65": "NH1" <-> "NH2" Residue "d GLU 75": "OE1" <-> "OE2" Residue "d TYR 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e PHE 6": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e GLU 12": "OE1" <-> "OE2" Residue "e PHE 15": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e TYR 16": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e ARG 28": "NH1" <-> "NH2" Residue "e ARG 40": "NH1" <-> "NH2" Residue "e PHE 57": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e PHE 63": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e GLU 74": "OE1" <-> "OE2" Residue "e GLU 88": "OE1" <-> "OE2" Residue "h PHE 122": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j GLU 111": "OE1" <-> "OE2" Residue "k GLU 111": "OE1" <-> "OE2" Residue "l GLU 111": "OE1" <-> "OE2" Residue "p ARG 115": "NH1" <-> "NH2" Residue "p ASP 132": "OD1" <-> "OD2" Residue "p ARG 145": "NH1" <-> "NH2" Residue "p PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "p PHE 202": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "p PHE 204": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "p ARG 232": "NH1" <-> "NH2" Residue "p ARG 239": "NH1" <-> "NH2" Residue "p PHE 299": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q ASP 72": "OD1" <-> "OD2" Residue "q PHE 81": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q PHE 122": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q GLU 136": "OE1" <-> "OE2" Residue "q GLU 142": "OE1" <-> "OE2" Residue "q PHE 182": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q ASP 191": "OD1" <-> "OD2" Residue "q PHE 198": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q ARG 206": "NH1" <-> "NH2" Residue "q PHE 218": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "r PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "r TYR 9": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "r TYR 19": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "r GLU 33": "OE1" <-> "OE2" Residue "r ARG 42": "NH1" <-> "NH2" Residue "r ARG 48": "NH1" <-> "NH2" Residue "r TYR 52": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "r ASP 54": "OD1" <-> "OD2" Residue "s GLU 32": "OE1" <-> "OE2" Residue "s PHE 33": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "s GLU 35": "OE1" <-> "OE2" Residue "s PHE 50": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "s ASP 95": "OD1" <-> "OD2" Residue "s GLU 123": "OE1" <-> "OE2" Residue "s ASP 174": "OD1" <-> "OD2" Residue "s PHE 176": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "t ARG 46": "NH1" <-> "NH2" Residue "t ASP 91": "OD1" <-> "OD2" Residue "t ASP 144": "OD1" <-> "OD2" Residue "t ARG 147": "NH1" <-> "NH2" Residue "t ARG 152": "NH1" <-> "NH2" Residue "t ARG 157": "NH1" <-> "NH2" Residue "t TYR 158": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "t ASP 164": "OD1" <-> "OD2" Residue "t PHE 172": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "t TYR 190": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "t ASP 214": "OD1" <-> "OD2" Residue "t GLU 238": "OE1" <-> "OE2" Residue "t ARG 244": "NH1" <-> "NH2" Residue "t TYR 292": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "t GLU 306": "OE1" <-> "OE2" Residue "u ARG 49": "NH1" <-> "NH2" Residue "u GLU 74": "OE1" <-> "OE2" Residue "u ARG 86": "NH1" <-> "NH2" Residue "u ASP 135": "OD1" <-> "OD2" Residue "u ASP 142": "OD1" <-> "OD2" Residue "u ARG 162": "NH1" <-> "NH2" Residue "u ASP 172": "OD1" <-> "OD2" Residue "u ARG 195": "NH1" <-> "NH2" Residue "u ARG 199": "NH1" <-> "NH2" Residue "u PHE 203": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u TYR 256": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u TYR 259": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u ARG 283": "NH1" <-> "NH2" Residue "u TYR 284": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u ASP 294": "OD1" <-> "OD2" Residue "u TYR 324": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u ASP 325": "OD1" <-> "OD2" Residue "u ASP 403": "OD1" <-> "OD2" Residue "u PHE 413": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u ARG 418": "NH1" <-> "NH2" Residue "u ARG 429": "NH1" <-> "NH2" Residue "u PHE 436": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u ARG 454": "NH1" <-> "NH2" Residue "u GLU 455": "OE1" <-> "OE2" Residue "u PHE 459": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u PHE 489": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u ASP 510": "OD1" <-> "OD2" Residue "u GLU 522": "OE1" <-> "OE2" Residue "u ASP 547": "OD1" <-> "OD2" Residue "u ARG 555": "NH1" <-> "NH2" Residue "v GLU 47": "OE1" <-> "OE2" Residue "v ARG 49": "NH1" <-> "NH2" Residue "v ASP 92": "OD1" <-> "OD2" Residue "v ARG 96": "NH1" <-> "NH2" Residue "v TYR 98": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v TYR 145": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v ARG 146": "NH1" <-> "NH2" Residue "v ARG 162": "NH1" <-> "NH2" Residue "v ARG 181": "NH1" <-> "NH2" Residue "v ARG 199": "NH1" <-> "NH2" Residue "v PHE 203": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v GLU 221": "OE1" <-> "OE2" Residue "v ARG 227": "NH1" <-> "NH2" Residue "v ASP 237": "OD1" <-> "OD2" Residue "v ARG 254": "NH1" <-> "NH2" Residue "v TYR 256": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v TYR 259": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v PHE 276": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v ARG 283": "NH1" <-> "NH2" Residue "v TYR 284": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v GLU 311": "OE1" <-> "OE2" Residue "v PHE 313": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v ARG 314": "NH1" <-> "NH2" Residue "v ARG 342": "NH1" <-> "NH2" Residue "v ARG 343": "NH1" <-> "NH2" Residue "v ARG 364": "NH1" <-> "NH2" Residue "v PHE 380": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v GLU 409": "OE1" <-> "OE2" Residue "v PHE 413": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v PHE 436": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v GLU 449": "OE1" <-> "OE2" Residue "v ARG 454": "NH1" <-> "NH2" Residue "v PHE 459": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v PHE 462": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v ASP 467": "OD1" <-> "OD2" Residue "v GLU 475": "OE1" <-> "OE2" Residue "v ARG 479": "NH1" <-> "NH2" Residue "v ARG 496": "NH1" <-> "NH2" Residue "v TYR 502": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v ARG 513": "NH1" <-> "NH2" Residue "v GLU 521": "OE1" <-> "OE2" Residue "v PHE 533": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v ASP 547": "OD1" <-> "OD2" Residue "w GLU 47": "OE1" <-> "OE2" Residue "w ARG 49": "NH1" <-> "NH2" Residue "w PHE 53": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w PHE 132": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w ASP 142": "OD1" <-> "OD2" Residue "w TYR 145": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w ARG 181": "NH1" <-> "NH2" Residue "w ASP 210": "OD1" <-> "OD2" Residue "w ARG 217": "NH1" <-> "NH2" Residue "w ARG 220": "NH1" <-> "NH2" Residue "w TYR 256": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w ARG 266": "NH1" <-> "NH2" Residue "w PHE 276": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w TYR 284": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w PHE 313": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w ARG 314": "NH1" <-> "NH2" Residue "w ARG 335": "NH1" <-> "NH2" Residue "w ARG 342": "NH1" <-> "NH2" Residue "w ARG 343": "NH1" <-> "NH2" Residue "w ARG 347": "NH1" <-> "NH2" Residue "w ARG 360": "NH1" <-> "NH2" Residue "w PHE 380": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w ASP 403": "OD1" <-> "OD2" Residue "w GLU 409": "OE1" <-> "OE2" Residue "w PHE 413": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w ARG 429": "NH1" <-> "NH2" Residue "w ARG 454": "NH1" <-> "NH2" Residue "w PHE 459": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w ASP 465": "OD1" <-> "OD2" Residue "w GLU 475": "OE1" <-> "OE2" Residue "w ARG 476": "NH1" <-> "NH2" Residue "w GLU 482": "OE1" <-> "OE2" Residue "w PHE 489": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w ARG 496": "NH1" <-> "NH2" Residue "w TYR 502": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w ARG 513": "NH1" <-> "NH2" Residue "w GLU 521": "OE1" <-> "OE2" Residue "w GLU 522": "OE1" <-> "OE2" Residue "w GLU 553": "OE1" <-> "OE2" Residue "w ARG 555": "NH1" <-> "NH2" Residue "x ARG 51": "NH1" <-> "NH2" Residue "x ASP 82": "OD1" <-> "OD2" Residue "x ASP 91": "OD1" <-> "OD2" Residue "x ASP 94": "OD1" <-> "OD2" Residue "x ASP 136": "OD1" <-> "OD2" Residue "x GLU 149": "OE1" <-> "OE2" Residue "x PHE 150": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x PHE 182": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x PHE 207": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x PHE 210": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x GLU 215": "OE1" <-> "OE2" Residue "x ARG 218": "NH1" <-> "NH2" Residue "x GLU 219": "OE1" <-> "OE2" Residue "x ARG 225": "NH1" <-> "NH2" Residue "x GLU 238": "OE1" <-> "OE2" Residue "x ARG 239": "NH1" <-> "NH2" Residue "x TYR 248": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x GLU 253": "OE1" <-> "OE2" Residue "x ASP 279": "OD1" <-> "OD2" Residue "x ASP 285": "OD1" <-> "OD2" Residue "x GLU 296": "OE1" <-> "OE2" Residue "x ASP 317": "OD1" <-> "OD2" Residue "x PHE 355": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x ASP 359": "OD1" <-> "OD2" Residue "x TYR 374": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x ASP 378": "OD1" <-> "OD2" Residue "x ARG 385": "NH1" <-> "NH2" Residue "x TYR 397": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x ARG 401": "NH1" <-> "NH2" Residue "x ASP 409": "OD1" <-> "OD2" Residue "x ASP 423": "OD1" <-> "OD2" Residue "x GLU 424": "OE1" <-> "OE2" Residue "x PHE 486": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x GLU 494": "OE1" <-> "OE2" Residue "x GLU 497": "OE1" <-> "OE2" Residue "x ARG 509": "NH1" <-> "NH2" Residue "x GLU 541": "OE1" <-> "OE2" Residue "x ASP 542": "OD1" <-> "OD2" Residue "x GLU 547": "OE1" <-> "OE2" Residue "x GLU 552": "OE1" <-> "OE2" Residue "y ASP 36": "OD1" <-> "OD2" Residue "y TYR 39": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "y ARG 71": "NH1" <-> "NH2" Residue "y ARG 86": "NH1" <-> "NH2" Residue "y ARG 115": "NH1" <-> "NH2" Residue "y ARG 120": "NH1" <-> "NH2" Residue "y GLU 131": "OE1" <-> "OE2" Residue "y ASP 139": "OD1" <-> "OD2" Residue "y ARG 145": "NH1" <-> "NH2" Residue "y PHE 150": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "y GLU 156": "OE1" <-> "OE2" Residue "y TYR 173": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "y PHE 182": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "y GLU 195": "OE1" <-> "OE2" Residue "y GLU 215": "OE1" <-> "OE2" Residue "y ARG 258": "NH1" <-> "NH2" Residue "y GLU 270": "OE1" <-> "OE2" Residue "y GLU 296": "OE1" <-> "OE2" Residue "y TYR 310": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "y ARG 366": "NH1" <-> "NH2" Residue "y TYR 374": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "y ASP 378": "OD1" <-> "OD2" Residue "y ARG 385": "NH1" <-> "NH2" Residue "y ASP 415": "OD1" <-> "OD2" Residue "y ASP 423": "OD1" <-> "OD2" Residue "y ASP 429": "OD1" <-> "OD2" Residue "y PHE 447": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "y GLU 451": "OE1" <-> "OE2" Residue "y PHE 453": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "y ASP 465": "OD1" <-> "OD2" Residue "y PHE 470": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "y TYR 487": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "y ASP 528": "OD1" <-> "OD2" Residue "y ASP 543": "OD1" <-> "OD2" Residue "y PHE 549": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "y GLU 552": "OE1" <-> "OE2" Residue "z TYR 39": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "z ARG 51": "NH1" <-> "NH2" Residue "z ARG 71": "NH1" <-> "NH2" Residue "z ASP 82": "OD1" <-> "OD2" Residue "z ARG 86": "NH1" <-> "NH2" Residue "z ASP 94": "OD1" <-> "OD2" Residue "z ARG 98": "NH1" <-> "NH2" Residue "z ASP 104": "OD1" <-> "OD2" Residue "z ARG 120": "NH1" <-> "NH2" Residue "z ASP 130": "OD1" <-> "OD2" Residue "z PHE 210": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "z ARG 216": "NH1" <-> "NH2" Residue "z ARG 258": "NH1" <-> "NH2" Residue "z GLU 270": "OE1" <-> "OE2" Residue "z PHE 355": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "z ASP 359": "OD1" <-> "OD2" Residue "z ASP 378": "OD1" <-> "OD2" Residue "z ARG 385": "NH1" <-> "NH2" Residue "z ARG 401": "NH1" <-> "NH2" Residue "z TYR 410": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "z ASP 423": "OD1" <-> "OD2" Residue "z ARG 435": "NH1" <-> "NH2" Residue "z ARG 437": "NH1" <-> "NH2" Residue "z PHE 447": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "z PHE 453": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "z TYR 460": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "z ASP 480": "OD1" <-> "OD2" Residue "z GLU 483": "OE1" <-> "OE2" Residue "z ARG 509": "NH1" <-> "NH2" Residue "z ASP 513": "OD1" <-> "OD2" Residue "z GLU 546": "OE1" <-> "OE2" Residue "z GLU 547": "OE1" <-> "OE2" Residue "z PHE 549": "CD1" <-> "CD2" "CE1" <-> "CE2" Time to flip residues: 0.28s Monomer Library directory: "/net/cci-filer2/raid1/xp/phenix/phenix-1.21rc1-4938/modules/chem_data/mon_lib" Total number of atoms: 107552 Number of models: 1 Model: "" Number of chains: 82 Chain: "0" Number of atoms: 607 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 607 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 8, 'TRANS': 72} Chain: "1" Number of atoms: 4661 Number of conformers: 1 Conformer: "" Number of residues, atoms: 595, 4661 Classifications: {'peptide': 595} Link IDs: {'PTRANS': 31, 'TRANS': 563} Chain: "2" Number of atoms: 3163 Number of conformers: 1 Conformer: "" Number of residues, atoms: 441, 3163 Classifications: {'peptide': 441} Link IDs: {'PTRANS': 17, 'TRANS': 423} Chain: "3" Number of atoms: 1874 Number of conformers: 1 Conformer: "" Number of residues, atoms: 245, 1874 Classifications: {'peptide': 245} Incomplete info: {'truncation_to_alanine': 2} Link IDs: {'PTRANS': 5, 'TRANS': 239} Unresolved non-hydrogen bonds: 7 Unresolved non-hydrogen angles: 8 Unresolved non-hydrogen dihedrals: 7 Chain: "4" Number of atoms: 2177 Number of conformers: 1 Conformer: "" Number of residues, atoms: 290, 2177 Classifications: {'peptide': 290} Link IDs: {'PTRANS': 9, 'TRANS': 280} Chain: "5" Number of atoms: 986 Number of conformers: 1 Conformer: "" Number of residues, atoms: 123, 986 Classifications: {'peptide': 123} Link IDs: {'PTRANS': 7, 'TRANS': 115} Chain: "6" Number of atoms: 926 Number of conformers: 1 Conformer: "" Number of residues, atoms: 124, 926 Classifications: {'peptide': 124} Link IDs: {'PTRANS': 4, 'TRANS': 119} Chain: "7" Number of atoms: 1347 Number of conformers: 1 Conformer: "" Number of residues, atoms: 176, 1347 Classifications: {'peptide': 176} Link IDs: {'PTRANS': 5, 'TRANS': 170} Chain: "8" Number of atoms: 692 Number of conformers: 1 Conformer: "" Number of residues, atoms: 88, 692 Classifications: {'peptide': 88} Link IDs: {'PTRANS': 7, 'TRANS': 80} Chain: "9" Number of atoms: 776 Number of conformers: 1 Conformer: "" Number of residues, atoms: 97, 776 Classifications: {'peptide': 97} Link IDs: {'PTRANS': 5, 'TRANS': 91} Chain: "A" Number of atoms: 514 Number of conformers: 1 Conformer: "" Number of residues, atoms: 74, 514 Classifications: {'peptide': 74} Link IDs: {'PTRANS': 1, 'TRANS': 72} Chain: "B" Number of atoms: 514 Number of conformers: 1 Conformer: "" Number of residues, atoms: 74, 514 Classifications: {'peptide': 74} Link IDs: {'PTRANS': 1, 'TRANS': 72} Chain: "C" Number of atoms: 514 Number of conformers: 1 Conformer: "" Number of residues, atoms: 74, 514 Classifications: {'peptide': 74} Link IDs: {'PTRANS': 1, 'TRANS': 72} Chain breaks: 1 Chain: "D" Number of atoms: 514 Number of conformers: 1 Conformer: "" Number of residues, atoms: 74, 514 Classifications: {'peptide': 74} Link IDs: {'PTRANS': 1, 'TRANS': 72} Chain: "E" Number of atoms: 514 Number of conformers: 1 Conformer: "" Number of residues, atoms: 74, 514 Classifications: {'peptide': 74} Link IDs: {'PTRANS': 1, 'TRANS': 72} Chain: "F" Number of atoms: 514 Number of conformers: 1 Conformer: "" Number of residues, atoms: 74, 514 Classifications: {'peptide': 74} Link IDs: {'PTRANS': 1, 'TRANS': 72} Chain: "G" Number of atoms: 514 Number of conformers: 1 Conformer: "" Number of residues, atoms: 74, 514 Classifications: {'peptide': 74} Link IDs: {'PTRANS': 1, 'TRANS': 72} Chain: "H" Number of atoms: 514 Number of conformers: 1 Conformer: "" Number of residues, atoms: 74, 514 Classifications: {'peptide': 74} Link IDs: {'PTRANS': 1, 'TRANS': 72} Chain: "I" Number of atoms: 514 Number of conformers: 1 Conformer: "" Number of residues, atoms: 74, 514 Classifications: {'peptide': 74} Link IDs: {'PTRANS': 1, 'TRANS': 72} Chain: "J" Number of atoms: 514 Number of conformers: 1 Conformer: "" Number of residues, atoms: 74, 514 Classifications: {'peptide': 74} Link IDs: {'PTRANS': 1, 'TRANS': 72} Chain: "M" Number of atoms: 1640 Number of conformers: 1 Conformer: "" Number of residues, atoms: 217, 1640 Classifications: {'peptide': 217} Incomplete info: {'truncation_to_alanine': 2} Link IDs: {'PTRANS': 12, 'TRANS': 204} Chain breaks: 1 Unresolved non-hydrogen bonds: 10 Unresolved non-hydrogen angles: 13 Unresolved non-hydrogen dihedrals: 9 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'PHE:plan': 1} Unresolved non-hydrogen planarities: 6 Chain: "P" Number of atoms: 1532 Number of conformers: 1 Conformer: "" Number of residues, atoms: 193, 1532 Classifications: {'peptide': 193} Link IDs: {'PTRANS': 5, 'TRANS': 187} Chain: "Q" Number of atoms: 561 Number of conformers: 1 Conformer: "" Number of residues, atoms: 72, 561 Classifications: {'peptide': 72} Link IDs: {'PTRANS': 5, 'TRANS': 66} Chain: "R" Number of atoms: 1303 Number of conformers: 1 Conformer: "" Number of residues, atoms: 177, 1303 Classifications: {'peptide': 177} Link IDs: {'PTRANS': 13, 'TRANS': 163} Chain: "S" Number of atoms: 2130 Number of conformers: 1 Conformer: "" Number of residues, atoms: 277, 2130 Classifications: {'peptide': 277} Incomplete info: {'truncation_to_alanine': 1} Link IDs: {'PTRANS': 5, 'TRANS': 271} Unresolved non-hydrogen bonds: 2 Unresolved non-hydrogen angles: 3 Unresolved non-hydrogen dihedrals: 1 Unresolved non-hydrogen chiralities: 1 Chain: "T" Number of atoms: 3979 Number of conformers: 1 Conformer: "" Number of residues, atoms: 523, 3979 Classifications: {'peptide': 523} Link IDs: {'PCIS': 1, 'PTRANS': 24, 'TRANS': 497} Chain: "U" Number of atoms: 3980 Number of conformers: 1 Conformer: "" Number of residues, atoms: 523, 3980 Classifications: {'peptide': 523} Modifications used: {'COO': 1} Link IDs: {'PCIS': 1, 'PTRANS': 24, 'TRANS': 497} Chain: "V" Number of atoms: 3962 Number of conformers: 1 Conformer: "" Number of residues, atoms: 520, 3962 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PCIS': 1, 'PTRANS': 24, 'TRANS': 494} Chain: "X" Number of atoms: 4115 Number of conformers: 1 Conformer: "" Number of residues, atoms: 542, 4115 Classifications: {'peptide': 542} Link IDs: {'PCIS': 1, 'PTRANS': 23, 'TRANS': 517} Chain: "Y" Number of atoms: 3957 Number of conformers: 1 Conformer: "" Number of residues, atoms: 521, 3957 Classifications: {'peptide': 521} Link IDs: {'PCIS': 1, 'PTRANS': 21, 'TRANS': 498} Chain: "Z" Number of atoms: 4087 Number of conformers: 1 Conformer: "" Number of residues, atoms: 538, 4087 Classifications: {'peptide': 538} Link IDs: {'PCIS': 1, 'PTRANS': 23, 'TRANS': 513} Chain: "M" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {' ZN': 1} Classifications: {'undetermined': 1} Chain: "T" 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: "U" 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: "V" 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: "X" Number of atoms: 28 Number of conformers: 1 Conformer: "" Number of residues, atoms: 2, 28 Unusual residues: {' MG': 1, 'ADP': 1} Classifications: {'undetermined': 2} Link IDs: {None: 1} Chain: "Y" Number of atoms: 28 Number of conformers: 1 Conformer: "" Number of residues, atoms: 2, 28 Unusual residues: {' MG': 1, 'ADP': 1} Classifications: {'undetermined': 2} Link IDs: {None: 1} Chain: "1" Number of atoms: 2 Number of conformers: 1 Conformer: "" Number of residues, atoms: 2, 2 Classifications: {'water': 2} Link IDs: {None: 1} Chain: "6" Number of atoms: 5 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 5 Classifications: {'water': 5} Link IDs: {None: 4} Chain: "A" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Classifications: {'water': 1} Chain: "M" Number of atoms: 20 Number of conformers: 1 Conformer: "" Number of residues, atoms: 20, 20 Classifications: {'water': 20} Link IDs: {None: 19} Chain: "K" Number of atoms: 607 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 607 Classifications: {'peptide': 81} Link IDs: {'PTRANS': 8, 'TRANS': 72} Chain: "L" Number of atoms: 4661 Number of conformers: 1 Conformer: "" Number of residues, atoms: 595, 4661 Classifications: {'peptide': 595} Link IDs: {'PTRANS': 31, 'TRANS': 563} Chain: "N" Number of atoms: 3163 Number of conformers: 1 Conformer: "" Number of residues, atoms: 441, 3163 Classifications: {'peptide': 441} Link IDs: {'PTRANS': 17, 'TRANS': 423} Chain: "O" Number of atoms: 1874 Number of conformers: 1 Conformer: "" Number of residues, atoms: 245, 1874 Classifications: {'peptide': 245} Incomplete info: {'truncation_to_alanine': 2} Link IDs: {'PTRANS': 5, 'TRANS': 239} Unresolved non-hydrogen bonds: 7 Unresolved non-hydrogen angles: 8 Unresolved non-hydrogen dihedrals: 7 Chain: "W" Number of atoms: 2177 Number of conformers: 1 Conformer: "" Number of residues, atoms: 290, 2177 Classifications: {'peptide': 290} Link IDs: {'PTRANS': 9, 'TRANS': 280} Chain: "a" Number of atoms: 986 Number of conformers: 1 Conformer: "" Number of residues, atoms: 123, 986 Classifications: {'peptide': 123} Link IDs: {'PTRANS': 7, 'TRANS': 115} Chain: "b" Number of atoms: 926 Number of conformers: 1 Conformer: "" Number of residues, atoms: 124, 926 Classifications: {'peptide': 124} Link IDs: {'PTRANS': 4, 'TRANS': 119} Chain: "c" Number of atoms: 1347 Number of conformers: 1 Conformer: "" Number of residues, atoms: 176, 1347 Classifications: {'peptide': 176} Link IDs: {'PTRANS': 5, 'TRANS': 170} Chain: "d" Number of atoms: 692 Number of conformers: 1 Conformer: "" Number of residues, atoms: 88, 692 Classifications: {'peptide': 88} Link IDs: {'PTRANS': 7, 'TRANS': 80} Chain: "e" Number of atoms: 776 Number of conformers: 1 Conformer: "" Number of residues, atoms: 97, 776 Classifications: {'peptide': 97} Link IDs: {'PTRANS': 5, 'TRANS': 91} Chain: "f" Number of atoms: 514 Number of conformers: 1 Conformer: "" Number of residues, atoms: 74, 514 Classifications: {'peptide': 74} Link IDs: {'PTRANS': 1, 'TRANS': 72} Chain: "g" Number of atoms: 514 Number of conformers: 1 Conformer: "" Number of residues, atoms: 74, 514 Classifications: {'peptide': 74} Link IDs: {'PTRANS': 1, 'TRANS': 72} Chain: "h" Number of atoms: 514 Number of conformers: 1 Conformer: "" Number of residues, atoms: 74, 514 Classifications: {'peptide': 74} Link IDs: {'PTRANS': 1, 'TRANS': 72} Chain breaks: 1 Chain: "i" Number of atoms: 514 Number of conformers: 1 Conformer: "" Number of residues, atoms: 74, 514 Classifications: {'peptide': 74} Link IDs: {'PTRANS': 1, 'TRANS': 72} Chain: "j" Number of atoms: 514 Number of conformers: 1 Conformer: "" Number of residues, atoms: 74, 514 Classifications: {'peptide': 74} Link IDs: {'PTRANS': 1, 'TRANS': 72} Chain: "k" Number of atoms: 514 Number of conformers: 1 Conformer: "" Number of residues, atoms: 74, 514 Classifications: {'peptide': 74} Link IDs: {'PTRANS': 1, 'TRANS': 72} Chain: "l" Number of atoms: 514 Number of conformers: 1 Conformer: "" Number of residues, atoms: 74, 514 Classifications: {'peptide': 74} Link IDs: {'PTRANS': 1, 'TRANS': 72} Chain: "m" Number of atoms: 514 Number of conformers: 1 Conformer: "" Number of residues, atoms: 74, 514 Classifications: {'peptide': 74} Link IDs: {'PTRANS': 1, 'TRANS': 72} Chain: "n" Number of atoms: 514 Number of conformers: 1 Conformer: "" Number of residues, atoms: 74, 514 Classifications: {'peptide': 74} Link IDs: {'PTRANS': 1, 'TRANS': 72} Chain: "o" Number of atoms: 514 Number of conformers: 1 Conformer: "" Number of residues, atoms: 74, 514 Classifications: {'peptide': 74} Link IDs: {'PTRANS': 1, 'TRANS': 72} Chain: "p" Number of atoms: 1640 Number of conformers: 1 Conformer: "" Number of residues, atoms: 217, 1640 Classifications: {'peptide': 217} Incomplete info: {'truncation_to_alanine': 2} Link IDs: {'PTRANS': 12, 'TRANS': 204} Chain breaks: 1 Unresolved non-hydrogen bonds: 10 Unresolved non-hydrogen angles: 13 Unresolved non-hydrogen dihedrals: 9 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'PHE:plan': 1} Unresolved non-hydrogen planarities: 6 Chain: "q" Number of atoms: 1532 Number of conformers: 1 Conformer: "" Number of residues, atoms: 193, 1532 Classifications: {'peptide': 193} Link IDs: {'PTRANS': 5, 'TRANS': 187} Chain: "r" Number of atoms: 561 Number of conformers: 1 Conformer: "" Number of residues, atoms: 72, 561 Classifications: {'peptide': 72} Link IDs: {'PTRANS': 5, 'TRANS': 66} Chain: "s" Number of atoms: 1303 Number of conformers: 1 Conformer: "" Number of residues, atoms: 177, 1303 Classifications: {'peptide': 177} Link IDs: {'PTRANS': 13, 'TRANS': 163} Chain: "t" Number of atoms: 2130 Number of conformers: 1 Conformer: "" Number of residues, atoms: 277, 2130 Classifications: {'peptide': 277} Incomplete info: {'truncation_to_alanine': 1} Link IDs: {'PTRANS': 5, 'TRANS': 271} Unresolved non-hydrogen bonds: 2 Unresolved non-hydrogen angles: 3 Unresolved non-hydrogen dihedrals: 1 Unresolved non-hydrogen chiralities: 1 Chain: "u" Number of atoms: 3979 Number of conformers: 1 Conformer: "" Number of residues, atoms: 523, 3979 Classifications: {'peptide': 523} Link IDs: {'PCIS': 1, 'PTRANS': 24, 'TRANS': 497} Chain: "v" Number of atoms: 3980 Number of conformers: 1 Conformer: "" Number of residues, atoms: 523, 3980 Classifications: {'peptide': 523} Modifications used: {'COO': 1} Link IDs: {'PCIS': 1, 'PTRANS': 24, 'TRANS': 497} Chain: "w" Number of atoms: 3962 Number of conformers: 1 Conformer: "" Number of residues, atoms: 520, 3962 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PCIS': 1, 'PTRANS': 24, 'TRANS': 494} Chain: "x" Number of atoms: 4115 Number of conformers: 1 Conformer: "" Number of residues, atoms: 542, 4115 Classifications: {'peptide': 542} Link IDs: {'PCIS': 1, 'PTRANS': 23, 'TRANS': 517} Chain: "y" Number of atoms: 3957 Number of conformers: 1 Conformer: "" Number of residues, atoms: 521, 3957 Classifications: {'peptide': 521} Link IDs: {'PCIS': 1, 'PTRANS': 21, 'TRANS': 498} Chain: "z" Number of atoms: 4087 Number of conformers: 1 Conformer: "" Number of residues, atoms: 538, 4087 Classifications: {'peptide': 538} Link IDs: {'PCIS': 1, 'PTRANS': 23, 'TRANS': 513} Chain: "p" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {' ZN': 1} Classifications: {'undetermined': 1} Chain: "u" 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: "v" 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: "w" 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: "x" Number of atoms: 28 Number of conformers: 1 Conformer: "" Number of residues, atoms: 2, 28 Unusual residues: {' MG': 1, 'ADP': 1} Classifications: {'undetermined': 2} Link IDs: {None: 1} Chain: "y" Number of atoms: 28 Number of conformers: 1 Conformer: "" Number of residues, atoms: 2, 28 Unusual residues: {' MG': 1, 'ADP': 1} Classifications: {'undetermined': 2} Link IDs: {None: 1} Chain: "L" Number of atoms: 2 Number of conformers: 1 Conformer: "" Number of residues, atoms: 2, 2 Classifications: {'water': 2} Link IDs: {None: 1} Chain: "b" Number of atoms: 5 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 5 Classifications: {'water': 5} Link IDs: {None: 4} Chain: "f" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Classifications: {'water': 1} Chain: "p" Number of atoms: 20 Number of conformers: 1 Conformer: "" Number of residues, atoms: 20, 20 Classifications: {'water': 20} Link IDs: {None: 19} Time building chain proxies: 38.67, per 1000 atoms: 0.36 Number of scatterers: 107552 At special positions: 0 Unit cell: (356.967, 154.791, 263.25, 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 2 29.99 S 298 16.00 P 26 15.00 Mg 10 11.99 O 20398 8.00 N 18224 7.00 C 68594 6.00 sf(0) = scattering factor at diffraction angle 0. Number of disulfides: simple=0, symmetry=0 Automatic linking Parameters for automatic linking Linking & cutoffs Metal : Auto - 3.50 Amino acid : False - 1.90 Carbohydrate : True - 1.99 Ligands : True - 1.99 Small molecules : False - 1.98 Amino acid - RNA/DNA : False Number of custom bonds: simple=0, symmetry=0 Time building additional restraints: 29.78 Conformation dependent library (CDL) restraints added in 12.3 seconds Dynamic metal coordination Zn2+ tetrahedral coordination pdb=" ZN M 600 " pdb="ZN ZN M 600 " - pdb=" NE2 HIS M 248 " pdb=" ZN p 600 " pdb="ZN ZN p 600 " - pdb=" NE2 HIS p 248 " 28152 Ramachandran restraints generated. 14076 Oldfield, 0 Emsley, 14076 emsley8k and 0 Phi/Psi/2. Adding C-beta torsion restraints... Number of C-beta restraints generated: 26172 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: 534 helices and 70 sheets defined 63.1% alpha, 8.5% beta 0 base pairs and 0 stacking pairs defined. Time for finding SS restraints: 21.15 Creating SS restraints... Processing helix chain '0' and resid 3 through 11 removed outlier: 3.688A pdb=" N PHE 0 7 " --> pdb=" O TYR 0 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYS 0 9 " --> pdb=" O ALA 0 5 " (cutoff:3.500A) removed outlier: 4.268A pdb=" N ALA 0 10 " --> pdb=" O TYR 0 6 " (cutoff:3.500A) removed outlier: 5.612A pdb=" N GLY 0 11 " --> pdb=" O PHE 0 7 " (cutoff:3.500A) Processing helix chain '0' and resid 17 through 31 removed outlier: 3.623A pdb=" N LEU 0 21 " --> pdb=" O GLY 0 17 " (cutoff:3.500A) removed outlier: 3.599A pdb=" N CYS 0 31 " --> pdb=" O ALA 0 27 " (cutoff:3.500A) Processing helix chain '0' and resid 43 through 50 removed outlier: 3.525A pdb=" N ALA 0 49 " --> pdb=" O ALA 0 45 " (cutoff:3.500A) Processing helix chain '0' and resid 51 through 57 removed outlier: 3.793A pdb=" N GLN 0 56 " --> pdb=" O ILE 0 52 " (cutoff:3.500A) removed outlier: 5.897A pdb=" N SER 0 57 " --> pdb=" O GLY 0 53 " (cutoff:3.500A) Processing helix chain 'K' and resid 3 through 11 removed outlier: 3.688A pdb=" N PHE K 7 " --> pdb=" O TYR K 3 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LYS K 9 " --> pdb=" O ALA K 5 " (cutoff:3.500A) removed outlier: 4.268A pdb=" N ALA K 10 " --> pdb=" O TYR K 6 " (cutoff:3.500A) removed outlier: 5.612A pdb=" N GLY K 11 " --> pdb=" O PHE K 7 " (cutoff:3.500A) Processing helix chain 'K' and resid 17 through 31 removed outlier: 3.623A pdb=" N LEU K 21 " --> pdb=" O GLY K 17 " (cutoff:3.500A) removed outlier: 3.599A pdb=" N CYS K 31 " --> pdb=" O ALA K 27 " (cutoff:3.500A) Processing helix chain 'K' and resid 43 through 50 removed outlier: 3.525A pdb=" N ALA K 49 " --> pdb=" O ALA K 45 " (cutoff:3.500A) Processing helix chain 'K' and resid 51 through 57 removed outlier: 3.793A pdb=" N GLN K 56 " --> pdb=" O ILE K 52 " (cutoff:3.500A) removed outlier: 5.897A pdb=" N SER K 57 " --> pdb=" O GLY K 53 " (cutoff:3.500A) Processing helix chain '1' and resid 45 through 75 removed outlier: 4.245A pdb=" N GLU 1 49 " --> pdb=" O ASN 1 45 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N ASN 1 52 " --> pdb=" O ASN 1 48 " (cutoff:3.500A) removed outlier: 3.859A pdb=" N LYS 1 74 " --> pdb=" O ILE 1 70 " (cutoff:3.500A) removed outlier: 3.532A pdb=" N SER 1 75 " --> pdb=" O GLY 1 71 " (cutoff:3.500A) Processing helix chain '1' and resid 83 through 89 removed outlier: 4.315A pdb=" N PHE 1 87 " --> pdb=" O ASN 1 83 " (cutoff:3.500A) removed outlier: 3.691A pdb=" N GLU 1 88 " --> pdb=" O PRO 1 84 " (cutoff:3.500A) removed outlier: 5.761A pdb=" N ASP 1 89 " --> pdb=" O ARG 1 85 " (cutoff:3.500A) No H-bonds generated for 'chain '1' and resid 83 through 89' Processing helix chain '1' and resid 96 through 101 removed outlier: 4.162A pdb=" N GLN 1 100 " --> pdb=" O ASP 1 96 " (cutoff:3.500A) removed outlier: 4.621A pdb=" N ASN 1 101 " --> pdb=" O PHE 1 97 " (cutoff:3.500A) No H-bonds generated for 'chain '1' and resid 96 through 101' Processing helix chain '1' and resid 106 through 142 removed outlier: 3.873A pdb=" N THR 1 135 " --> pdb=" O ALA 1 131 " (cutoff:3.500A) removed outlier: 3.584A pdb=" N ALA 1 140 " --> pdb=" O GLU 1 136 " (cutoff:3.500A) Processing helix chain '1' and resid 163 through 179 removed outlier: 3.957A pdb=" N THR 1 169 " --> pdb=" O GLU 1 165 " (cutoff:3.500A) removed outlier: 3.810A pdb=" N ALA 1 177 " --> pdb=" O LYS 1 173 " (cutoff:3.500A) removed outlier: 3.616A pdb=" N LEU 1 178 " --> pdb=" O TYR 1 174 " (cutoff:3.500A) removed outlier: 4.452A pdb=" N VAL 1 179 " --> pdb=" O ALA 1 175 " (cutoff:3.500A) Processing helix chain '1' and resid 190 through 205 removed outlier: 4.259A pdb=" N ALA 1 196 " --> pdb=" O GLY 1 192 " (cutoff:3.500A) removed outlier: 4.235A pdb=" N PHE 1 200 " --> pdb=" O ALA 1 196 " (cutoff:3.500A) removed outlier: 3.536A pdb=" N ALA 1 201 " --> pdb=" O VAL 1 197 " (cutoff:3.500A) removed outlier: 3.740A pdb=" N VAL 1 204 " --> pdb=" O PHE 1 200 " (cutoff:3.500A) Processing helix chain '1' and resid 209 through 225 removed outlier: 3.565A pdb=" N VAL 1 213 " --> pdb=" O ASN 1 209 " (cutoff:3.500A) removed outlier: 4.057A pdb=" N SER 1 214 " --> pdb=" O ALA 1 210 " (cutoff:3.500A) removed outlier: 3.632A pdb=" N GLU 1 215 " --> pdb=" O SER 1 211 " (cutoff:3.500A) removed outlier: 4.162A pdb=" N LEU 1 217 " --> pdb=" O VAL 1 213 " (cutoff:3.500A) removed outlier: 3.664A pdb=" N LEU 1 221 " --> pdb=" O LEU 1 217 " (cutoff:3.500A) removed outlier: 3.645A pdb=" N LYS 1 224 " --> pdb=" O SER 1 220 " (cutoff:3.500A) Processing helix chain '1' and resid 241 through 271 removed outlier: 3.528A pdb=" N ALA 1 246 " --> pdb=" O LYS 1 242 " (cutoff:3.500A) removed outlier: 3.509A pdb=" N LYS 1 247 " --> pdb=" O ALA 1 243 " (cutoff:3.500A) removed outlier: 4.033A pdb=" N ARG 1 259 " --> pdb=" O GLU 1 255 " (cutoff:3.500A) Processing helix chain '1' and resid 273 through 278 removed outlier: 4.574A pdb=" N VAL 1 277 " --> pdb=" O GLU 1 273 " (cutoff:3.500A) Proline residue: 1 278 - end of helix No H-bonds generated for 'chain '1' and resid 273 through 278' Processing helix chain '1' and resid 279 through 287 removed outlier: 5.171A pdb=" N ASP 1 283 " --> pdb=" O LEU 1 279 " (cutoff:3.500A) removed outlier: 4.883A pdb=" N ALA 1 284 " --> pdb=" O ASN 1 280 " (cutoff:3.500A) removed outlier: 4.180A pdb=" N GLN 1 285 " --> pdb=" O GLU 1 281 " (cutoff:3.500A) removed outlier: 4.029A pdb=" N LEU 1 286 " --> pdb=" O PHE 1 282 " (cutoff:3.500A) removed outlier: 5.984A pdb=" N ALA 1 287 " --> pdb=" O ASP 1 283 " (cutoff:3.500A) No H-bonds generated for 'chain '1' and resid 279 through 287' Processing helix chain '1' and resid 297 through 307 removed outlier: 3.542A pdb=" N ALA 1 303 " --> pdb=" O GLU 1 299 " (cutoff:3.500A) removed outlier: 3.702A pdb=" N GLN 1 306 " --> pdb=" O SER 1 302 " (cutoff:3.500A) removed outlier: 4.228A pdb=" N GLY 1 307 " --> pdb=" O ALA 1 303 " (cutoff:3.500A) Processing helix chain '1' and resid 310 through 319 removed outlier: 3.910A pdb=" N SER 1 317 " --> pdb=" O GLN 1 313 " (cutoff:3.500A) removed outlier: 3.521A pdb=" N SER 1 318 " --> pdb=" O ARG 1 314 " (cutoff:3.500A) Proline residue: 1 319 - end of helix Processing helix chain '1' and resid 330 through 336 removed outlier: 4.280A pdb=" N GLU 1 334 " --> pdb=" O LYS 1 330 " (cutoff:3.500A) removed outlier: 3.884A pdb=" N VAL 1 335 " --> pdb=" O ALA 1 331 " (cutoff:3.500A) Proline residue: 1 336 - end of helix No H-bonds generated for 'chain '1' and resid 330 through 336' Processing helix chain '1' and resid 338 through 353 removed outlier: 4.806A pdb=" N ASP 1 353 " --> pdb=" O ALA 1 349 " (cutoff:3.500A) Processing helix chain '1' and resid 354 through 362 Processing helix chain '1' and resid 375 through 388 removed outlier: 3.568A pdb=" N ARG 1 381 " --> pdb=" O SER 1 377 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N VAL 1 382 " --> pdb=" O GLU 1 378 " (cutoff:3.500A) removed outlier: 3.514A pdb=" N HIS 1 386 " --> pdb=" O VAL 1 382 " (cutoff:3.500A) Processing helix chain '1' and resid 392 through 417 removed outlier: 3.653A pdb=" N LYS 1 396 " --> pdb=" O ARG 1 392 " (cutoff:3.500A) removed outlier: 3.589A pdb=" N LEU 1 401 " --> pdb=" O GLU 1 397 " (cutoff:3.500A) Processing helix chain '1' and resid 425 through 432 removed outlier: 3.941A pdb=" N PHE 1 429 " --> pdb=" O ASP 1 425 " (cutoff:3.500A) Processing helix chain '1' and resid 435 through 461 removed outlier: 3.598A pdb=" N LYS 1 445 " --> pdb=" O PHE 1 441 " (cutoff:3.500A) removed outlier: 3.961A pdb=" N ASN 1 446 " --> pdb=" O ASP 1 442 " (cutoff:3.500A) removed outlier: 4.981A pdb=" N ALA 1 448 " --> pdb=" O LEU 1 444 " (cutoff:3.500A) removed outlier: 6.255A pdb=" N ALA 1 449 " --> pdb=" O LYS 1 445 " (cutoff:3.500A) removed outlier: 3.664A pdb=" N ALA 1 460 " --> pdb=" O LYS 1 456 " (cutoff:3.500A) Processing helix chain '1' and resid 463 through 480 removed outlier: 3.711A pdb=" N TYR 1 468 " --> pdb=" O PRO 1 464 " (cutoff:3.500A) removed outlier: 3.530A pdb=" N THR 1 471 " --> pdb=" O ALA 1 467 " (cutoff:3.500A) removed outlier: 3.722A pdb=" N GLN 1 474 " --> pdb=" O VAL 1 470 " (cutoff:3.500A) removed outlier: 4.188A pdb=" N ASP 1 479 " --> pdb=" O GLU 1 475 " (cutoff:3.500A) Proline residue: 1 480 - end of helix Processing helix chain '1' and resid 485 through 490 Processing helix chain '1' and resid 493 through 536 removed outlier: 4.213A pdb=" N GLU 1 501 " --> pdb=" O LEU 1 497 " (cutoff:3.500A) removed outlier: 3.736A pdb=" N SER 1 503 " --> pdb=" O GLU 1 499 " (cutoff:3.500A) removed outlier: 3.580A pdb=" N ASP 1 508 " --> pdb=" O ASP 1 504 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N LEU 1 512 " --> pdb=" O ASP 1 508 " (cutoff:3.500A) removed outlier: 3.648A pdb=" N GLU 1 516 " --> pdb=" O LEU 1 512 " (cutoff:3.500A) removed outlier: 3.777A pdb=" N GLU 1 517 " --> pdb=" O GLU 1 513 " (cutoff:3.500A) removed outlier: 4.916A pdb=" N GLU 1 518 " --> pdb=" O LYS 1 514 " (cutoff:3.500A) removed outlier: 4.638A pdb=" N GLU 1 519 " --> pdb=" O ALA 1 515 " (cutoff:3.500A) removed outlier: 5.527A pdb=" N LEU 1 520 " --> pdb=" O GLU 1 516 " (cutoff:3.500A) removed outlier: 6.487A pdb=" N TRP 1 521 " --> pdb=" O GLU 1 517 " (cutoff:3.500A) Processing helix chain '1' and resid 541 through 550 removed outlier: 3.505A pdb=" N VAL 1 545 " --> pdb=" O PRO 1 541 " (cutoff:3.500A) Proline residue: 1 550 - end of helix Processing helix chain '1' and resid 551 through 563 removed outlier: 3.591A pdb=" N GLU 1 559 " --> pdb=" O LYS 1 555 " (cutoff:3.500A) Processing helix chain '1' and resid 566 through 575 Processing helix chain '1' and resid 576 through 594 removed outlier: 5.455A pdb=" N HIS 1 590 " --> pdb=" O GLU 1 586 " (cutoff:3.500A) removed outlier: 6.427A pdb=" N HIS 1 591 " --> pdb=" O ASN 1 587 " (cutoff:3.500A) removed outlier: 4.676A pdb=" N PHE 1 592 " --> pdb=" O LEU 1 588 " (cutoff:3.500A) removed outlier: 4.137A pdb=" N LEU 1 593 " --> pdb=" O SER 1 589 " (cutoff:3.500A) Proline residue: 1 594 - end of helix Processing helix chain '1' and resid 595 through 607 removed outlier: 3.577A pdb=" N ARG 1 600 " --> pdb=" O ILE 1 596 " (cutoff:3.500A) removed outlier: 3.646A pdb=" N LYS 1 605 " --> pdb=" O ASP 1 601 " (cutoff:3.500A) Processing helix chain 'L' and resid 45 through 75 removed outlier: 4.245A pdb=" N GLU L 49 " --> pdb=" O ASN L 45 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N ASN L 52 " --> pdb=" O ASN L 48 " (cutoff:3.500A) removed outlier: 3.859A pdb=" N LYS L 74 " --> pdb=" O ILE L 70 " (cutoff:3.500A) removed outlier: 3.532A pdb=" N SER L 75 " --> pdb=" O GLY L 71 " (cutoff:3.500A) Processing helix chain 'L' and resid 83 through 89 removed outlier: 4.315A pdb=" N PHE L 87 " --> pdb=" O ASN L 83 " (cutoff:3.500A) removed outlier: 3.691A pdb=" N GLU L 88 " --> pdb=" O PRO L 84 " (cutoff:3.500A) removed outlier: 5.761A pdb=" N ASP L 89 " --> pdb=" O ARG L 85 " (cutoff:3.500A) No H-bonds generated for 'chain 'L' and resid 83 through 89' Processing helix chain 'L' and resid 96 through 101 removed outlier: 4.162A pdb=" N GLN L 100 " --> pdb=" O ASP L 96 " (cutoff:3.500A) removed outlier: 4.621A pdb=" N ASN L 101 " --> pdb=" O PHE L 97 " (cutoff:3.500A) No H-bonds generated for 'chain 'L' and resid 96 through 101' Processing helix chain 'L' and resid 106 through 142 removed outlier: 3.873A pdb=" N THR L 135 " --> pdb=" O ALA L 131 " (cutoff:3.500A) removed outlier: 3.584A pdb=" N ALA L 140 " --> pdb=" O GLU L 136 " (cutoff:3.500A) Processing helix chain 'L' and resid 163 through 179 removed outlier: 3.957A pdb=" N THR L 169 " --> pdb=" O GLU L 165 " (cutoff:3.500A) removed outlier: 3.810A pdb=" N ALA L 177 " --> pdb=" O LYS L 173 " (cutoff:3.500A) removed outlier: 3.616A pdb=" N LEU L 178 " --> pdb=" O TYR L 174 " (cutoff:3.500A) removed outlier: 4.452A pdb=" N VAL L 179 " --> pdb=" O ALA L 175 " (cutoff:3.500A) Processing helix chain 'L' and resid 190 through 205 removed outlier: 4.259A pdb=" N ALA L 196 " --> pdb=" O GLY L 192 " (cutoff:3.500A) removed outlier: 4.235A pdb=" N PHE L 200 " --> pdb=" O ALA L 196 " (cutoff:3.500A) removed outlier: 3.536A pdb=" N ALA L 201 " --> pdb=" O VAL L 197 " (cutoff:3.500A) removed outlier: 3.740A pdb=" N VAL L 204 " --> pdb=" O PHE L 200 " (cutoff:3.500A) Processing helix chain 'L' and resid 209 through 225 removed outlier: 3.565A pdb=" N VAL L 213 " --> pdb=" O ASN L 209 " (cutoff:3.500A) removed outlier: 4.057A pdb=" N SER L 214 " --> pdb=" O ALA L 210 " (cutoff:3.500A) removed outlier: 3.632A pdb=" N GLU L 215 " --> pdb=" O SER L 211 " (cutoff:3.500A) removed outlier: 4.162A pdb=" N LEU L 217 " --> pdb=" O VAL L 213 " (cutoff:3.500A) removed outlier: 3.664A pdb=" N LEU L 221 " --> pdb=" O LEU L 217 " (cutoff:3.500A) removed outlier: 3.645A pdb=" N LYS L 224 " --> pdb=" O SER L 220 " (cutoff:3.500A) Processing helix chain 'L' and resid 241 through 271 removed outlier: 3.528A pdb=" N ALA L 246 " --> pdb=" O LYS L 242 " (cutoff:3.500A) removed outlier: 3.509A pdb=" N LYS L 247 " --> pdb=" O ALA L 243 " (cutoff:3.500A) removed outlier: 4.033A pdb=" N ARG L 259 " --> pdb=" O GLU L 255 " (cutoff:3.500A) Processing helix chain 'L' and resid 273 through 278 removed outlier: 4.574A pdb=" N VAL L 277 " --> pdb=" O GLU L 273 " (cutoff:3.500A) Proline residue: L 278 - end of helix No H-bonds generated for 'chain 'L' and resid 273 through 278' Processing helix chain 'L' and resid 279 through 287 removed outlier: 5.171A pdb=" N ASP L 283 " --> pdb=" O LEU L 279 " (cutoff:3.500A) removed outlier: 4.883A pdb=" N ALA L 284 " --> pdb=" O ASN L 280 " (cutoff:3.500A) removed outlier: 4.180A pdb=" N GLN L 285 " --> pdb=" O GLU L 281 " (cutoff:3.500A) removed outlier: 4.029A pdb=" N LEU L 286 " --> pdb=" O PHE L 282 " (cutoff:3.500A) removed outlier: 5.984A pdb=" N ALA L 287 " --> pdb=" O ASP L 283 " (cutoff:3.500A) No H-bonds generated for 'chain 'L' and resid 279 through 287' Processing helix chain 'L' and resid 297 through 307 removed outlier: 3.542A pdb=" N ALA L 303 " --> pdb=" O GLU L 299 " (cutoff:3.500A) removed outlier: 3.702A pdb=" N GLN L 306 " --> pdb=" O SER L 302 " (cutoff:3.500A) removed outlier: 4.228A pdb=" N GLY L 307 " --> pdb=" O ALA L 303 " (cutoff:3.500A) Processing helix chain 'L' and resid 310 through 319 removed outlier: 3.910A pdb=" N SER L 317 " --> pdb=" O GLN L 313 " (cutoff:3.500A) removed outlier: 3.521A pdb=" N SER L 318 " --> pdb=" O ARG L 314 " (cutoff:3.500A) Proline residue: L 319 - end of helix Processing helix chain 'L' and resid 330 through 336 removed outlier: 4.280A pdb=" N GLU L 334 " --> pdb=" O LYS L 330 " (cutoff:3.500A) removed outlier: 3.884A pdb=" N VAL L 335 " --> pdb=" O ALA L 331 " (cutoff:3.500A) Proline residue: L 336 - end of helix No H-bonds generated for 'chain 'L' and resid 330 through 336' Processing helix chain 'L' and resid 338 through 353 removed outlier: 4.806A pdb=" N ASP L 353 " --> pdb=" O ALA L 349 " (cutoff:3.500A) Processing helix chain 'L' and resid 354 through 362 Processing helix chain 'L' and resid 375 through 388 removed outlier: 3.568A pdb=" N ARG L 381 " --> pdb=" O SER L 377 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N VAL L 382 " --> pdb=" O GLU L 378 " (cutoff:3.500A) removed outlier: 3.514A pdb=" N HIS L 386 " --> pdb=" O VAL L 382 " (cutoff:3.500A) Processing helix chain 'L' and resid 392 through 417 removed outlier: 3.653A pdb=" N LYS L 396 " --> pdb=" O ARG L 392 " (cutoff:3.500A) removed outlier: 3.589A pdb=" N LEU L 401 " --> pdb=" O GLU L 397 " (cutoff:3.500A) Processing helix chain 'L' and resid 425 through 432 removed outlier: 3.941A pdb=" N PHE L 429 " --> pdb=" O ASP L 425 " (cutoff:3.500A) Processing helix chain 'L' and resid 435 through 461 removed outlier: 3.598A pdb=" N LYS L 445 " --> pdb=" O PHE L 441 " (cutoff:3.500A) removed outlier: 3.961A pdb=" N ASN L 446 " --> pdb=" O ASP L 442 " (cutoff:3.500A) removed outlier: 4.981A pdb=" N ALA L 448 " --> pdb=" O LEU L 444 " (cutoff:3.500A) removed outlier: 6.255A pdb=" N ALA L 449 " --> pdb=" O LYS L 445 " (cutoff:3.500A) removed outlier: 3.664A pdb=" N ALA L 460 " --> pdb=" O LYS L 456 " (cutoff:3.500A) Processing helix chain 'L' and resid 463 through 480 removed outlier: 3.711A pdb=" N TYR L 468 " --> pdb=" O PRO L 464 " (cutoff:3.500A) removed outlier: 3.530A pdb=" N THR L 471 " --> pdb=" O ALA L 467 " (cutoff:3.500A) removed outlier: 3.722A pdb=" N GLN L 474 " --> pdb=" O VAL L 470 " (cutoff:3.500A) removed outlier: 4.188A pdb=" N ASP L 479 " --> pdb=" O GLU L 475 " (cutoff:3.500A) Proline residue: L 480 - end of helix Processing helix chain 'L' and resid 485 through 490 Processing helix chain 'L' and resid 493 through 536 removed outlier: 4.213A pdb=" N GLU L 501 " --> pdb=" O LEU L 497 " (cutoff:3.500A) removed outlier: 3.736A pdb=" N SER L 503 " --> pdb=" O GLU L 499 " (cutoff:3.500A) removed outlier: 3.580A pdb=" N ASP L 508 " --> pdb=" O ASP L 504 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N LEU L 512 " --> pdb=" O ASP L 508 " (cutoff:3.500A) removed outlier: 3.648A pdb=" N GLU L 516 " --> pdb=" O LEU L 512 " (cutoff:3.500A) removed outlier: 3.777A pdb=" N GLU L 517 " --> pdb=" O GLU L 513 " (cutoff:3.500A) removed outlier: 4.916A pdb=" N GLU L 518 " --> pdb=" O LYS L 514 " (cutoff:3.500A) removed outlier: 4.638A pdb=" N GLU L 519 " --> pdb=" O ALA L 515 " (cutoff:3.500A) removed outlier: 5.527A pdb=" N LEU L 520 " --> pdb=" O GLU L 516 " (cutoff:3.500A) removed outlier: 6.487A pdb=" N TRP L 521 " --> pdb=" O GLU L 517 " (cutoff:3.500A) Processing helix chain 'L' and resid 541 through 550 removed outlier: 3.505A pdb=" N VAL L 545 " --> pdb=" O PRO L 541 " (cutoff:3.500A) Proline residue: L 550 - end of helix Processing helix chain 'L' and resid 551 through 563 removed outlier: 3.591A pdb=" N GLU L 559 " --> pdb=" O LYS L 555 " (cutoff:3.500A) Processing helix chain 'L' and resid 566 through 575 Processing helix chain 'L' and resid 576 through 594 removed outlier: 5.455A pdb=" N HIS L 590 " --> pdb=" O GLU L 586 " (cutoff:3.500A) removed outlier: 6.427A pdb=" N HIS L 591 " --> pdb=" O ASN L 587 " (cutoff:3.500A) removed outlier: 4.676A pdb=" N PHE L 592 " --> pdb=" O LEU L 588 " (cutoff:3.500A) removed outlier: 4.137A pdb=" N LEU L 593 " --> pdb=" O SER L 589 " (cutoff:3.500A) Proline residue: L 594 - end of helix Processing helix chain 'L' and resid 595 through 607 removed outlier: 3.577A pdb=" N ARG L 600 " --> pdb=" O ILE L 596 " (cutoff:3.500A) removed outlier: 3.646A pdb=" N LYS L 605 " --> pdb=" O ASP L 601 " (cutoff:3.500A) Processing helix chain '2' and resid 7 through 21 removed outlier: 3.569A pdb=" N ILE 2 11 " --> pdb=" O ASP 2 7 " (cutoff:3.500A) removed outlier: 3.519A pdb=" N LYS 2 13 " --> pdb=" O PRO 2 9 " (cutoff:3.500A) removed outlier: 3.600A pdb=" N GLU 2 14 " --> pdb=" O ALA 2 10 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N LEU 2 18 " --> pdb=" O GLU 2 14 " (cutoff:3.500A) removed outlier: 4.209A pdb=" N ARG 2 21 " --> pdb=" O SER 2 17 " (cutoff:3.500A) Processing helix chain '2' and resid 25 through 40 Processing helix chain '2' and resid 44 through 58 removed outlier: 3.705A pdb=" N TRP 2 48 " --> pdb=" O ASN 2 44 " (cutoff:3.500A) Processing helix chain '2' and resid 62 through 77 removed outlier: 3.514A pdb=" N THR 2 67 " --> pdb=" O ALA 2 63 " (cutoff:3.500A) Processing helix chain '2' and resid 80 through 95 removed outlier: 3.704A pdb=" N ALA 2 88 " --> pdb=" O VAL 2 84 " (cutoff:3.500A) removed outlier: 4.763A pdb=" N GLY 2 89 " --> pdb=" O ALA 2 85 " (cutoff:3.500A) Proline residue: 2 90 - end of helix removed outlier: 3.552A pdb=" N SER 2 93 " --> pdb=" O GLY 2 89 " (cutoff:3.500A) Processing helix chain '2' and resid 99 through 114 removed outlier: 3.714A pdb=" N SER 2 104 " --> pdb=" O PRO 2 100 " (cutoff:3.500A) removed outlier: 4.141A pdb=" N ILE 2 105 " --> pdb=" O VAL 2 101 " (cutoff:3.500A) removed outlier: 3.644A pdb=" N GLY 2 114 " --> pdb=" O LEU 2 110 " (cutoff:3.500A) Processing helix chain '2' and resid 117 through 132 removed outlier: 3.653A pdb=" N VAL 2 128 " --> pdb=" O ALA 2 124 " (cutoff:3.500A) removed outlier: 3.926A pdb=" N ILE 2 132 " --> pdb=" O VAL 2 128 " (cutoff:3.500A) Processing helix chain '2' and resid 136 through 151 removed outlier: 3.781A pdb=" N GLY 2 151 " --> pdb=" O VAL 2 147 " (cutoff:3.500A) Processing helix chain '2' and resid 154 through 168 removed outlier: 3.524A pdb=" N ALA 2 158 " --> pdb=" O ASP 2 154 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N VAL 2 164 " --> pdb=" O ALA 2 160 " (cutoff:3.500A) Processing helix chain '2' and resid 171 through 186 Processing helix chain '2' and resid 189 through 200 removed outlier: 3.577A pdb=" N ASP 2 194 " --> pdb=" O LYS 2 190 " (cutoff:3.500A) removed outlier: 4.078A pdb=" N ALA 2 195 " --> pdb=" O ALA 2 191 " (cutoff:3.500A) removed outlier: 3.662A pdb=" N LYS 2 198 " --> pdb=" O ASP 2 194 " (cutoff:3.500A) removed outlier: 5.040A pdb=" N SER 2 199 " --> pdb=" O ALA 2 195 " (cutoff:3.500A) removed outlier: 4.926A pdb=" N PHE 2 200 " --> pdb=" O LEU 2 196 " (cutoff:3.500A) Processing helix chain '2' and resid 206 through 221 removed outlier: 4.038A pdb=" N ALA 2 210 " --> pdb=" O SER 2 206 " (cutoff:3.500A) Processing helix chain '2' and resid 225 through 236 removed outlier: 5.886A pdb=" N VAL 2 229 " --> pdb=" O GLU 2 225 " (cutoff:3.500A) removed outlier: 3.959A pdb=" N ASP 2 230 " --> pdb=" O LYS 2 226 " (cutoff:3.500A) removed outlier: 4.095A pdb=" N ALA 2 234 " --> pdb=" O ASP 2 230 " (cutoff:3.500A) Processing helix chain '2' and resid 240 through 255 removed outlier: 3.541A pdb=" N VAL 2 245 " --> pdb=" O PRO 2 241 " (cutoff:3.500A) removed outlier: 3.924A pdb=" N GLU 2 246 " --> pdb=" O ALA 2 242 " (cutoff:3.500A) removed outlier: 3.508A pdb=" N GLY 2 250 " --> pdb=" O GLU 2 246 " (cutoff:3.500A) removed outlier: 3.514A pdb=" N SER 2 254 " --> pdb=" O GLY 2 250 " (cutoff:3.500A) Processing helix chain '2' and resid 258 through 276 removed outlier: 3.702A pdb=" N VAL 2 268 " --> pdb=" O ALA 2 264 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N VAL 2 269 " --> pdb=" O LEU 2 265 " (cutoff:3.500A) Proline residue: 2 271 - end of helix Processing helix chain '2' and resid 281 through 296 removed outlier: 3.548A pdb=" N THR 2 293 " --> pdb=" O HIS 2 289 " (cutoff:3.500A) removed outlier: 3.889A pdb=" N SER 2 295 " --> pdb=" O ALA 2 291 " (cutoff:3.500A) removed outlier: 4.398A pdb=" N GLY 2 296 " --> pdb=" O SER 2 292 " (cutoff:3.500A) Processing helix chain '2' and resid 300 through 322 removed outlier: 3.996A pdb=" N SER 2 305 " --> pdb=" O ALA 2 301 " (cutoff:3.500A) removed outlier: 3.773A pdb=" N PHE 2 306 " --> pdb=" O ALA 2 302 " (cutoff:3.500A) removed outlier: 3.686A pdb=" N LYS 2 309 " --> pdb=" O SER 2 305 " (cutoff:3.500A) removed outlier: 3.612A pdb=" N GLY 2 312 " --> pdb=" O ALA 2 308 " (cutoff:3.500A) removed outlier: 3.737A pdb=" N ALA 2 318 " --> pdb=" O ALA 2 314 " (cutoff:3.500A) removed outlier: 3.688A pdb=" N ARG 2 322 " --> pdb=" O ALA 2 318 " (cutoff:3.500A) Processing helix chain '2' and resid 323 through 342 removed outlier: 5.602A pdb=" N SER 2 327 " --> pdb=" O SER 2 323 " (cutoff:3.500A) removed outlier: 3.825A pdb=" N ALA 2 328 " --> pdb=" O SER 2 324 " (cutoff:3.500A) removed outlier: 3.574A pdb=" N LEU 2 329 " --> pdb=" O ALA 2 325 " (cutoff:3.500A) removed outlier: 3.502A pdb=" N ALA 2 335 " --> pdb=" O ALA 2 331 " (cutoff:3.500A) Processing helix chain '2' and resid 345 through 357 removed outlier: 3.501A pdb=" N SER 2 351 " --> pdb=" O PRO 2 347 " (cutoff:3.500A) removed outlier: 3.885A pdb=" N ALA 2 354 " --> pdb=" O ALA 2 350 " (cutoff:3.500A) removed outlier: 3.966A pdb=" N SER 2 355 " --> pdb=" O SER 2 351 " (cutoff:3.500A) removed outlier: 4.455A pdb=" N VAL 2 357 " --> pdb=" O VAL 2 353 " (cutoff:3.500A) Processing helix chain '2' and resid 383 through 388 removed outlier: 5.479A pdb=" N LEU 2 387 " --> pdb=" O PRO 2 383 " (cutoff:3.500A) removed outlier: 5.209A pdb=" N THR 2 388 " --> pdb=" O SER 2 384 " (cutoff:3.500A) No H-bonds generated for 'chain '2' and resid 383 through 388' Processing helix chain '2' and resid 396 through 410 removed outlier: 4.160A pdb=" N ALA 2 400 " --> pdb=" O LEU 2 396 " (cutoff:3.500A) removed outlier: 3.599A pdb=" N GLN 2 409 " --> pdb=" O VAL 2 405 " (cutoff:3.500A) removed outlier: 3.624A pdb=" N GLY 2 410 " --> pdb=" O ARG 2 406 " (cutoff:3.500A) Processing helix chain '2' and resid 417 through 424 removed outlier: 4.270A pdb=" N ALA 2 423 " --> pdb=" O ASN 2 419 " (cutoff:3.500A) removed outlier: 4.212A pdb=" N LEU 2 424 " --> pdb=" O GLU 2 420 " (cutoff:3.500A) Processing helix chain '2' and resid 426 through 442 removed outlier: 3.773A pdb=" N VAL 2 441 " --> pdb=" O ALA 2 437 " (cutoff:3.500A) Processing helix chain 'N' and resid 7 through 21 removed outlier: 3.569A pdb=" N ILE N 11 " --> pdb=" O ASP N 7 " (cutoff:3.500A) removed outlier: 3.519A pdb=" N LYS N 13 " --> pdb=" O PRO N 9 " (cutoff:3.500A) removed outlier: 3.600A pdb=" N GLU N 14 " --> pdb=" O ALA N 10 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N LEU N 18 " --> pdb=" O GLU N 14 " (cutoff:3.500A) removed outlier: 4.209A pdb=" N ARG N 21 " --> pdb=" O SER N 17 " (cutoff:3.500A) Processing helix chain 'N' and resid 25 through 40 Processing helix chain 'N' and resid 44 through 58 removed outlier: 3.705A pdb=" N TRP N 48 " --> pdb=" O ASN N 44 " (cutoff:3.500A) Processing helix chain 'N' and resid 62 through 77 removed outlier: 3.514A pdb=" N THR N 67 " --> pdb=" O ALA N 63 " (cutoff:3.500A) Processing helix chain 'N' and resid 80 through 95 removed outlier: 3.704A pdb=" N ALA N 88 " --> pdb=" O VAL N 84 " (cutoff:3.500A) removed outlier: 4.763A pdb=" N GLY N 89 " --> pdb=" O ALA N 85 " (cutoff:3.500A) Proline residue: N 90 - end of helix removed outlier: 3.552A pdb=" N SER N 93 " --> pdb=" O GLY N 89 " (cutoff:3.500A) Processing helix chain 'N' and resid 99 through 114 removed outlier: 3.714A pdb=" N SER N 104 " --> pdb=" O PRO N 100 " (cutoff:3.500A) removed outlier: 4.141A pdb=" N ILE N 105 " --> pdb=" O VAL N 101 " (cutoff:3.500A) removed outlier: 3.644A pdb=" N GLY N 114 " --> pdb=" O LEU N 110 " (cutoff:3.500A) Processing helix chain 'N' and resid 117 through 132 removed outlier: 3.653A pdb=" N VAL N 128 " --> pdb=" O ALA N 124 " (cutoff:3.500A) removed outlier: 3.926A pdb=" N ILE N 132 " --> pdb=" O VAL N 128 " (cutoff:3.500A) Processing helix chain 'N' and resid 136 through 151 removed outlier: 3.781A pdb=" N GLY N 151 " --> pdb=" O VAL N 147 " (cutoff:3.500A) Processing helix chain 'N' and resid 154 through 168 removed outlier: 3.524A pdb=" N ALA N 158 " --> pdb=" O ASP N 154 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N VAL N 164 " --> pdb=" O ALA N 160 " (cutoff:3.500A) Processing helix chain 'N' and resid 171 through 186 Processing helix chain 'N' and resid 189 through 200 removed outlier: 3.577A pdb=" N ASP N 194 " --> pdb=" O LYS N 190 " (cutoff:3.500A) removed outlier: 4.078A pdb=" N ALA N 195 " --> pdb=" O ALA N 191 " (cutoff:3.500A) removed outlier: 3.662A pdb=" N LYS N 198 " --> pdb=" O ASP N 194 " (cutoff:3.500A) removed outlier: 5.040A pdb=" N SER N 199 " --> pdb=" O ALA N 195 " (cutoff:3.500A) removed outlier: 4.926A pdb=" N PHE N 200 " --> pdb=" O LEU N 196 " (cutoff:3.500A) Processing helix chain 'N' and resid 206 through 221 removed outlier: 4.038A pdb=" N ALA N 210 " --> pdb=" O SER N 206 " (cutoff:3.500A) Processing helix chain 'N' and resid 225 through 236 removed outlier: 5.886A pdb=" N VAL N 229 " --> pdb=" O GLU N 225 " (cutoff:3.500A) removed outlier: 3.959A pdb=" N ASP N 230 " --> pdb=" O LYS N 226 " (cutoff:3.500A) removed outlier: 4.095A pdb=" N ALA N 234 " --> pdb=" O ASP N 230 " (cutoff:3.500A) Processing helix chain 'N' and resid 240 through 255 removed outlier: 3.541A pdb=" N VAL N 245 " --> pdb=" O PRO N 241 " (cutoff:3.500A) removed outlier: 3.924A pdb=" N GLU N 246 " --> pdb=" O ALA N 242 " (cutoff:3.500A) removed outlier: 3.508A pdb=" N GLY N 250 " --> pdb=" O GLU N 246 " (cutoff:3.500A) removed outlier: 3.514A pdb=" N SER N 254 " --> pdb=" O GLY N 250 " (cutoff:3.500A) Processing helix chain 'N' and resid 258 through 276 removed outlier: 3.702A pdb=" N VAL N 268 " --> pdb=" O ALA N 264 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N VAL N 269 " --> pdb=" O LEU N 265 " (cutoff:3.500A) Proline residue: N 271 - end of helix Processing helix chain 'N' and resid 281 through 296 removed outlier: 3.548A pdb=" N THR N 293 " --> pdb=" O HIS N 289 " (cutoff:3.500A) removed outlier: 3.889A pdb=" N SER N 295 " --> pdb=" O ALA N 291 " (cutoff:3.500A) removed outlier: 4.398A pdb=" N GLY N 296 " --> pdb=" O SER N 292 " (cutoff:3.500A) Processing helix chain 'N' and resid 300 through 322 removed outlier: 3.996A pdb=" N SER N 305 " --> pdb=" O ALA N 301 " (cutoff:3.500A) removed outlier: 3.773A pdb=" N PHE N 306 " --> pdb=" O ALA N 302 " (cutoff:3.500A) removed outlier: 3.686A pdb=" N LYS N 309 " --> pdb=" O SER N 305 " (cutoff:3.500A) removed outlier: 3.612A pdb=" N GLY N 312 " --> pdb=" O ALA N 308 " (cutoff:3.500A) removed outlier: 3.737A pdb=" N ALA N 318 " --> pdb=" O ALA N 314 " (cutoff:3.500A) removed outlier: 3.688A pdb=" N ARG N 322 " --> pdb=" O ALA N 318 " (cutoff:3.500A) Processing helix chain 'N' and resid 323 through 342 removed outlier: 5.602A pdb=" N SER N 327 " --> pdb=" O SER N 323 " (cutoff:3.500A) removed outlier: 3.825A pdb=" N ALA N 328 " --> pdb=" O SER N 324 " (cutoff:3.500A) removed outlier: 3.574A pdb=" N LEU N 329 " --> pdb=" O ALA N 325 " (cutoff:3.500A) removed outlier: 3.502A pdb=" N ALA N 335 " --> pdb=" O ALA N 331 " (cutoff:3.500A) Processing helix chain 'N' and resid 345 through 357 removed outlier: 3.501A pdb=" N SER N 351 " --> pdb=" O PRO N 347 " (cutoff:3.500A) removed outlier: 3.885A pdb=" N ALA N 354 " --> pdb=" O ALA N 350 " (cutoff:3.500A) removed outlier: 3.966A pdb=" N SER N 355 " --> pdb=" O SER N 351 " (cutoff:3.500A) removed outlier: 4.455A pdb=" N VAL N 357 " --> pdb=" O VAL N 353 " (cutoff:3.500A) Processing helix chain 'N' and resid 383 through 388 removed outlier: 5.479A pdb=" N LEU N 387 " --> pdb=" O PRO N 383 " (cutoff:3.500A) removed outlier: 5.209A pdb=" N THR N 388 " --> pdb=" O SER N 384 " (cutoff:3.500A) No H-bonds generated for 'chain 'N' and resid 383 through 388' Processing helix chain 'N' and resid 396 through 410 removed outlier: 4.160A pdb=" N ALA N 400 " --> pdb=" O LEU N 396 " (cutoff:3.500A) removed outlier: 3.599A pdb=" N GLN N 409 " --> pdb=" O VAL N 405 " (cutoff:3.500A) removed outlier: 3.624A pdb=" N GLY N 410 " --> pdb=" O ARG N 406 " (cutoff:3.500A) Processing helix chain 'N' and resid 417 through 424 removed outlier: 4.270A pdb=" N ALA N 423 " --> pdb=" O ASN N 419 " (cutoff:3.500A) removed outlier: 4.212A pdb=" N LEU N 424 " --> pdb=" O GLU N 420 " (cutoff:3.500A) Processing helix chain 'N' and resid 426 through 442 removed outlier: 3.773A pdb=" N VAL N 441 " --> pdb=" O ALA N 437 " (cutoff:3.500A) Processing helix chain '3' and resid 77 through 89 removed outlier: 3.706A pdb=" N LYS 3 88 " --> pdb=" O THR 3 84 " (cutoff:3.500A) Processing helix chain '3' and resid 91 through 101 removed outlier: 3.620A pdb=" N ASN 3 97 " --> pdb=" O GLU 3 93 " (cutoff:3.500A) removed outlier: 3.631A pdb=" N ALA 3 99 " --> pdb=" O LEU 3 95 " (cutoff:3.500A) removed outlier: 4.106A pdb=" N GLU 3 100 " --> pdb=" O VAL 3 96 " (cutoff:3.500A) removed outlier: 5.480A pdb=" N ILE 3 101 " --> pdb=" O ASN 3 97 " (cutoff:3.500A) Processing helix chain '3' and resid 102 through 114 removed outlier: 3.701A pdb=" N TRP 3 106 " --> pdb=" O ASP 3 102 " (cutoff:3.500A) Processing helix chain '3' and resid 117 through 133 removed outlier: 4.314A pdb=" N LYS 3 123 " --> pdb=" O ASP 3 119 " (cutoff:3.500A) removed outlier: 3.917A pdb=" N LYS 3 129 " --> pdb=" O ALA 3 125 " (cutoff:3.500A) Proline residue: 3 130 - end of helix removed outlier: 5.240A pdb=" N ALA 3 133 " --> pdb=" O LYS 3 129 " (cutoff:3.500A) Processing helix chain '3' and resid 136 through 151 removed outlier: 3.539A pdb=" N ASN 3 151 " --> pdb=" O PHE 3 147 " (cutoff:3.500A) Processing helix chain '3' and resid 154 through 169 removed outlier: 4.071A pdb=" N GLY 3 160 " --> pdb=" O ASP 3 156 " (cutoff:3.500A) removed outlier: 3.657A pdb=" N ALA 3 167 " --> pdb=" O ALA 3 163 " (cutoff:3.500A) Processing helix chain '3' and resid 173 through 188 removed outlier: 4.002A pdb=" N GLN 3 179 " --> pdb=" O GLU 3 175 " (cutoff:3.500A) removed outlier: 3.688A pdb=" N ALA 3 182 " --> pdb=" O LEU 3 178 " (cutoff:3.500A) removed outlier: 4.308A pdb=" N ASN 3 188 " --> pdb=" O PHE 3 184 " (cutoff:3.500A) Processing helix chain '3' and resid 191 through 204 removed outlier: 3.565A pdb=" N SER 3 201 " --> pdb=" O ASP 3 197 " (cutoff:3.500A) Processing helix chain '3' and resid 209 through 215 removed outlier: 3.546A pdb=" N ARG 3 213 " --> pdb=" O LEU 3 209 " (cutoff:3.500A) removed outlier: 3.842A pdb=" N ALA 3 214 " --> pdb=" O ALA 3 210 " (cutoff:3.500A) removed outlier: 4.433A pdb=" N GLY 3 215 " --> pdb=" O PRO 3 211 " (cutoff:3.500A) No H-bonds generated for 'chain '3' and resid 209 through 215' Processing helix chain '3' and resid 216 through 230 removed outlier: 3.716A pdb=" N THR 3 221 " --> pdb=" O ASP 3 217 " (cutoff:3.500A) removed outlier: 3.597A pdb=" N ASN 3 229 " --> pdb=" O TYR 3 225 " (cutoff:3.500A) Processing helix chain '3' and resid 233 through 245 removed outlier: 3.533A pdb=" N ALA 3 238 " --> pdb=" O ALA 3 234 " (cutoff:3.500A) removed outlier: 3.793A pdb=" N ARG 3 242 " --> pdb=" O ALA 3 238 " (cutoff:3.500A) removed outlier: 4.102A pdb=" N GLY 3 243 " --> pdb=" O THR 3 239 " (cutoff:3.500A) removed outlier: 4.053A pdb=" N PHE 3 244 " --> pdb=" O VAL 3 240 " (cutoff:3.500A) removed outlier: 5.831A pdb=" N SER 3 245 " --> pdb=" O ALA 3 241 " (cutoff:3.500A) Processing helix chain '3' and resid 246 through 253 removed outlier: 4.355A pdb=" N LEU 3 252 " --> pdb=" O SER 3 248 " (cutoff:3.500A) removed outlier: 5.453A pdb=" N SER 3 253 " --> pdb=" O LEU 3 249 " (cutoff:3.500A) Processing helix chain '3' and resid 254 through 272 removed outlier: 3.733A pdb=" N SER 3 263 " --> pdb=" O ASP 3 259 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N ALA 3 267 " --> pdb=" O SER 3 263 " (cutoff:3.500A) removed outlier: 3.521A pdb=" N THR 3 270 " --> pdb=" O LYS 3 266 " (cutoff:3.500A) removed outlier: 3.633A pdb=" N PHE 3 271 " --> pdb=" O ALA 3 267 " (cutoff:3.500A) Processing helix chain '3' and resid 277 through 289 removed outlier: 4.392A pdb=" N VAL 3 281 " --> pdb=" O SER 3 277 " (cutoff:3.500A) removed outlier: 3.718A pdb=" N GLY 3 283 " --> pdb=" O GLU 3 279 " (cutoff:3.500A) removed outlier: 3.789A pdb=" N ALA 3 285 " --> pdb=" O VAL 3 281 " (cutoff:3.500A) removed outlier: 4.586A pdb=" N SER 3 288 " --> pdb=" O ALA 3 284 " (cutoff:3.500A) Proline residue: 3 289 - end of helix Processing helix chain '3' and resid 293 through 312 removed outlier: 3.729A pdb=" N ASN 3 309 " --> pdb=" O VAL 3 305 " (cutoff:3.500A) removed outlier: 3.899A pdb=" N ALA 3 310 " --> pdb=" O ALA 3 306 " (cutoff:3.500A) Processing helix chain 'O' and resid 77 through 89 removed outlier: 3.706A pdb=" N LYS O 88 " --> pdb=" O THR O 84 " (cutoff:3.500A) Processing helix chain 'O' and resid 91 through 101 removed outlier: 3.620A pdb=" N ASN O 97 " --> pdb=" O GLU O 93 " (cutoff:3.500A) removed outlier: 3.631A pdb=" N ALA O 99 " --> pdb=" O LEU O 95 " (cutoff:3.500A) removed outlier: 4.106A pdb=" N GLU O 100 " --> pdb=" O VAL O 96 " (cutoff:3.500A) removed outlier: 5.480A pdb=" N ILE O 101 " --> pdb=" O ASN O 97 " (cutoff:3.500A) Processing helix chain 'O' and resid 102 through 114 removed outlier: 3.701A pdb=" N TRP O 106 " --> pdb=" O ASP O 102 " (cutoff:3.500A) Processing helix chain 'O' and resid 117 through 133 removed outlier: 4.314A pdb=" N LYS O 123 " --> pdb=" O ASP O 119 " (cutoff:3.500A) removed outlier: 3.917A pdb=" N LYS O 129 " --> pdb=" O ALA O 125 " (cutoff:3.500A) Proline residue: O 130 - end of helix removed outlier: 5.240A pdb=" N ALA O 133 " --> pdb=" O LYS O 129 " (cutoff:3.500A) Processing helix chain 'O' and resid 136 through 151 removed outlier: 3.539A pdb=" N ASN O 151 " --> pdb=" O PHE O 147 " (cutoff:3.500A) Processing helix chain 'O' and resid 154 through 169 removed outlier: 4.071A pdb=" N GLY O 160 " --> pdb=" O ASP O 156 " (cutoff:3.500A) removed outlier: 3.657A pdb=" N ALA O 167 " --> pdb=" O ALA O 163 " (cutoff:3.500A) Processing helix chain 'O' and resid 173 through 188 removed outlier: 4.002A pdb=" N GLN O 179 " --> pdb=" O GLU O 175 " (cutoff:3.500A) removed outlier: 3.688A pdb=" N ALA O 182 " --> pdb=" O LEU O 178 " (cutoff:3.500A) removed outlier: 4.308A pdb=" N ASN O 188 " --> pdb=" O PHE O 184 " (cutoff:3.500A) Processing helix chain 'O' and resid 191 through 204 removed outlier: 3.565A pdb=" N SER O 201 " --> pdb=" O ASP O 197 " (cutoff:3.500A) Processing helix chain 'O' and resid 209 through 215 removed outlier: 3.546A pdb=" N ARG O 213 " --> pdb=" O LEU O 209 " (cutoff:3.500A) removed outlier: 3.842A pdb=" N ALA O 214 " --> pdb=" O ALA O 210 " (cutoff:3.500A) removed outlier: 4.433A pdb=" N GLY O 215 " --> pdb=" O PRO O 211 " (cutoff:3.500A) No H-bonds generated for 'chain 'O' and resid 209 through 215' Processing helix chain 'O' and resid 216 through 230 removed outlier: 3.716A pdb=" N THR O 221 " --> pdb=" O ASP O 217 " (cutoff:3.500A) removed outlier: 3.597A pdb=" N ASN O 229 " --> pdb=" O TYR O 225 " (cutoff:3.500A) Processing helix chain 'O' and resid 233 through 245 removed outlier: 3.533A pdb=" N ALA O 238 " --> pdb=" O ALA O 234 " (cutoff:3.500A) removed outlier: 3.793A pdb=" N ARG O 242 " --> pdb=" O ALA O 238 " (cutoff:3.500A) removed outlier: 4.102A pdb=" N GLY O 243 " --> pdb=" O THR O 239 " (cutoff:3.500A) removed outlier: 4.053A pdb=" N PHE O 244 " --> pdb=" O VAL O 240 " (cutoff:3.500A) removed outlier: 5.831A pdb=" N SER O 245 " --> pdb=" O ALA O 241 " (cutoff:3.500A) Processing helix chain 'O' and resid 246 through 253 removed outlier: 4.355A pdb=" N LEU O 252 " --> pdb=" O SER O 248 " (cutoff:3.500A) removed outlier: 5.453A pdb=" N SER O 253 " --> pdb=" O LEU O 249 " (cutoff:3.500A) Processing helix chain 'O' and resid 254 through 272 removed outlier: 3.733A pdb=" N SER O 263 " --> pdb=" O ASP O 259 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N ALA O 267 " --> pdb=" O SER O 263 " (cutoff:3.500A) removed outlier: 3.521A pdb=" N THR O 270 " --> pdb=" O LYS O 266 " (cutoff:3.500A) removed outlier: 3.633A pdb=" N PHE O 271 " --> pdb=" O ALA O 267 " (cutoff:3.500A) Processing helix chain 'O' and resid 277 through 289 removed outlier: 4.392A pdb=" N VAL O 281 " --> pdb=" O SER O 277 " (cutoff:3.500A) removed outlier: 3.718A pdb=" N GLY O 283 " --> pdb=" O GLU O 279 " (cutoff:3.500A) removed outlier: 3.789A pdb=" N ALA O 285 " --> pdb=" O VAL O 281 " (cutoff:3.500A) removed outlier: 4.586A pdb=" N SER O 288 " --> pdb=" O ALA O 284 " (cutoff:3.500A) Proline residue: O 289 - end of helix Processing helix chain 'O' and resid 293 through 312 removed outlier: 3.729A pdb=" N ASN O 309 " --> pdb=" O VAL O 305 " (cutoff:3.500A) removed outlier: 3.899A pdb=" N ALA O 310 " --> pdb=" O ALA O 306 " (cutoff:3.500A) Processing helix chain '4' and resid 7 through 18 removed outlier: 6.275A pdb=" N VAL 4 11 " --> pdb=" O SER 4 7 " (cutoff:3.500A) removed outlier: 3.774A pdb=" N LEU 4 12 " --> pdb=" O LYS 4 8 " (cutoff:3.500A) removed outlier: 3.525A pdb=" N TYR 4 13 " --> pdb=" O LYS 4 9 " (cutoff:3.500A) removed outlier: 3.714A pdb=" N LEU 4 15 " --> pdb=" O VAL 4 11 " (cutoff:3.500A) removed outlier: 5.215A pdb=" N SER 4 16 " --> pdb=" O LEU 4 12 " (cutoff:3.500A) removed outlier: 4.356A pdb=" N SER 4 17 " --> pdb=" O TYR 4 13 " (cutoff:3.500A) removed outlier: 5.417A pdb=" N LYS 4 18 " --> pdb=" O PHE 4 14 " (cutoff:3.500A) Processing helix chain '4' and resid 19 through 36 removed outlier: 3.509A pdb=" N ALA 4 35 " --> pdb=" O LYS 4 31 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N GLY 4 36 " --> pdb=" O SER 4 32 " (cutoff:3.500A) Processing helix chain '4' and resid 47 through 71 removed outlier: 4.154A pdb=" N GLN 4 61 " --> pdb=" O TYR 4 57 " (cutoff:3.500A) removed outlier: 3.634A pdb=" N VAL 4 62 " --> pdb=" O LEU 4 58 " (cutoff:3.500A) Proline residue: 4 65 - end of helix removed outlier: 3.829A pdb=" N HIS 4 68 " --> pdb=" O GLU 4 64 " (cutoff:3.500A) removed outlier: 3.501A pdb=" N ASN 4 69 " --> pdb=" O PRO 4 65 " (cutoff:3.500A) removed outlier: 3.622A pdb=" N ILE 4 70 " --> pdb=" O GLY 4 66 " (cutoff:3.500A) removed outlier: 5.481A pdb=" N ALA 4 71 " --> pdb=" O VAL 4 67 " (cutoff:3.500A) Processing helix chain '4' and resid 78 through 97 removed outlier: 4.531A pdb=" N VAL 4 82 " --> pdb=" O GLY 4 78 " (cutoff:3.500A) Processing helix chain '4' and resid 100 through 114 removed outlier: 3.536A pdb=" N LYS 4 107 " --> pdb=" O ILE 4 103 " (cutoff:3.500A) removed outlier: 3.708A pdb=" N ALA 4 114 " --> pdb=" O GLY 4 110 " (cutoff:3.500A) Processing helix chain '4' and resid 118 through 127 removed outlier: 3.653A pdb=" N ASN 4 124 " --> pdb=" O LYS 4 120 " (cutoff:3.500A) removed outlier: 4.803A pdb=" N LYS 4 127 " --> pdb=" O LEU 4 123 " (cutoff:3.500A) Processing helix chain '4' and resid 131 through 150 removed outlier: 3.641A pdb=" N ALA 4 137 " --> pdb=" O ASP 4 133 " (cutoff:3.500A) removed outlier: 4.228A pdb=" N VAL 4 141 " --> pdb=" O ALA 4 137 " (cutoff:3.500A) Processing helix chain '4' and resid 159 through 177 removed outlier: 4.122A pdb=" N PHE 4 165 " --> pdb=" O GLY 4 161 " (cutoff:3.500A) removed outlier: 3.565A pdb=" N LYS 4 168 " --> pdb=" O LYS 4 164 " (cutoff:3.500A) removed outlier: 3.673A pdb=" N ALA 4 171 " --> pdb=" O ALA 4 167 " (cutoff:3.500A) Processing helix chain '4' and resid 179 through 189 removed outlier: 3.812A pdb=" N GLY 4 189 " --> pdb=" O ALA 4 185 " (cutoff:3.500A) Processing helix chain '4' and resid 194 through 237 removed outlier: 3.614A pdb=" N LYS 4 198 " --> pdb=" O ASP 4 194 " (cutoff:3.500A) removed outlier: 3.830A pdb=" N VAL 4 199 " --> pdb=" O ALA 4 195 " (cutoff:3.500A) removed outlier: 3.747A pdb=" N GLU 4 202 " --> pdb=" O LYS 4 198 " (cutoff:3.500A) removed outlier: 3.660A pdb=" N THR 4 205 " --> pdb=" O LYS 4 201 " (cutoff:3.500A) removed outlier: 3.515A pdb=" N TRP 4 206 " --> pdb=" O GLU 4 202 " (cutoff:3.500A) removed outlier: 3.841A pdb=" N ALA 4 213 " --> pdb=" O SER 4 209 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N ALA 4 224 " --> pdb=" O LYS 4 220 " (cutoff:3.500A) removed outlier: 3.688A pdb=" N ALA 4 235 " --> pdb=" O ASP 4 231 " (cutoff:3.500A) removed outlier: 4.195A pdb=" N LYS 4 236 " --> pdb=" O ARG 4 232 " (cutoff:3.500A) Proline residue: 4 237 - end of helix Processing helix chain '4' and resid 238 through 260 removed outlier: 3.602A pdb=" N LYS 4 243 " --> pdb=" O ALA 4 239 " (cutoff:3.500A) removed outlier: 3.607A pdb=" N ALA 4 256 " --> pdb=" O LEU 4 252 " (cutoff:3.500A) removed outlier: 3.885A pdb=" N ALA 4 259 " --> pdb=" O ARG 4 255 " (cutoff:3.500A) removed outlier: 5.937A pdb=" N LYS 4 260 " --> pdb=" O ALA 4 256 " (cutoff:3.500A) Processing helix chain '4' and resid 262 through 286 removed outlier: 3.803A pdb=" N ALA 4 285 " --> pdb=" O SER 4 281 " (cutoff:3.500A) Proline residue: 4 286 - end of helix Processing helix chain 'W' and resid 7 through 18 removed outlier: 6.275A pdb=" N VAL W 11 " --> pdb=" O SER W 7 " (cutoff:3.500A) removed outlier: 3.774A pdb=" N LEU W 12 " --> pdb=" O LYS W 8 " (cutoff:3.500A) removed outlier: 3.525A pdb=" N TYR W 13 " --> pdb=" O LYS W 9 " (cutoff:3.500A) removed outlier: 3.714A pdb=" N LEU W 15 " --> pdb=" O VAL W 11 " (cutoff:3.500A) removed outlier: 5.215A pdb=" N SER W 16 " --> pdb=" O LEU W 12 " (cutoff:3.500A) removed outlier: 4.356A pdb=" N SER W 17 " --> pdb=" O TYR W 13 " (cutoff:3.500A) removed outlier: 5.417A pdb=" N LYS W 18 " --> pdb=" O PHE W 14 " (cutoff:3.500A) Processing helix chain 'W' and resid 19 through 36 removed outlier: 3.509A pdb=" N ALA W 35 " --> pdb=" O LYS W 31 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N GLY W 36 " --> pdb=" O SER W 32 " (cutoff:3.500A) Processing helix chain 'W' and resid 47 through 71 removed outlier: 4.154A pdb=" N GLN W 61 " --> pdb=" O TYR W 57 " (cutoff:3.500A) removed outlier: 3.634A pdb=" N VAL W 62 " --> pdb=" O LEU W 58 " (cutoff:3.500A) Proline residue: W 65 - end of helix removed outlier: 3.829A pdb=" N HIS W 68 " --> pdb=" O GLU W 64 " (cutoff:3.500A) removed outlier: 3.501A pdb=" N ASN W 69 " --> pdb=" O PRO W 65 " (cutoff:3.500A) removed outlier: 3.622A pdb=" N ILE W 70 " --> pdb=" O GLY W 66 " (cutoff:3.500A) removed outlier: 5.481A pdb=" N ALA W 71 " --> pdb=" O VAL W 67 " (cutoff:3.500A) Processing helix chain 'W' and resid 78 through 97 removed outlier: 4.531A pdb=" N VAL W 82 " --> pdb=" O GLY W 78 " (cutoff:3.500A) Processing helix chain 'W' and resid 100 through 114 removed outlier: 3.536A pdb=" N LYS W 107 " --> pdb=" O ILE W 103 " (cutoff:3.500A) removed outlier: 3.708A pdb=" N ALA W 114 " --> pdb=" O GLY W 110 " (cutoff:3.500A) Processing helix chain 'W' and resid 118 through 127 removed outlier: 3.653A pdb=" N ASN W 124 " --> pdb=" O LYS W 120 " (cutoff:3.500A) removed outlier: 4.803A pdb=" N LYS W 127 " --> pdb=" O LEU W 123 " (cutoff:3.500A) Processing helix chain 'W' and resid 131 through 150 removed outlier: 3.641A pdb=" N ALA W 137 " --> pdb=" O ASP W 133 " (cutoff:3.500A) removed outlier: 4.228A pdb=" N VAL W 141 " --> pdb=" O ALA W 137 " (cutoff:3.500A) Processing helix chain 'W' and resid 159 through 177 removed outlier: 4.122A pdb=" N PHE W 165 " --> pdb=" O GLY W 161 " (cutoff:3.500A) removed outlier: 3.565A pdb=" N LYS W 168 " --> pdb=" O LYS W 164 " (cutoff:3.500A) removed outlier: 3.673A pdb=" N ALA W 171 " --> pdb=" O ALA W 167 " (cutoff:3.500A) Processing helix chain 'W' and resid 179 through 189 removed outlier: 3.812A pdb=" N GLY W 189 " --> pdb=" O ALA W 185 " (cutoff:3.500A) Processing helix chain 'W' and resid 194 through 237 removed outlier: 3.614A pdb=" N LYS W 198 " --> pdb=" O ASP W 194 " (cutoff:3.500A) removed outlier: 3.830A pdb=" N VAL W 199 " --> pdb=" O ALA W 195 " (cutoff:3.500A) removed outlier: 3.747A pdb=" N GLU W 202 " --> pdb=" O LYS W 198 " (cutoff:3.500A) removed outlier: 3.660A pdb=" N THR W 205 " --> pdb=" O LYS W 201 " (cutoff:3.500A) removed outlier: 3.515A pdb=" N TRP W 206 " --> pdb=" O GLU W 202 " (cutoff:3.500A) removed outlier: 3.841A pdb=" N ALA W 213 " --> pdb=" O SER W 209 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N ALA W 224 " --> pdb=" O LYS W 220 " (cutoff:3.500A) removed outlier: 3.688A pdb=" N ALA W 235 " --> pdb=" O ASP W 231 " (cutoff:3.500A) removed outlier: 4.195A pdb=" N LYS W 236 " --> pdb=" O ARG W 232 " (cutoff:3.500A) Proline residue: W 237 - end of helix Processing helix chain 'W' and resid 238 through 260 removed outlier: 3.602A pdb=" N LYS W 243 " --> pdb=" O ALA W 239 " (cutoff:3.500A) removed outlier: 3.607A pdb=" N ALA W 256 " --> pdb=" O LEU W 252 " (cutoff:3.500A) removed outlier: 3.885A pdb=" N ALA W 259 " --> pdb=" O ARG W 255 " (cutoff:3.500A) removed outlier: 5.937A pdb=" N LYS W 260 " --> pdb=" O ALA W 256 " (cutoff:3.500A) Processing helix chain 'W' and resid 262 through 286 removed outlier: 3.803A pdb=" N ALA W 285 " --> pdb=" O SER W 281 " (cutoff:3.500A) Proline residue: W 286 - end of helix Processing helix chain '5' and resid 7 through 47 removed outlier: 4.958A pdb=" N LEU 5 31 " --> pdb=" O ASP 5 27 " (cutoff:3.500A) Proline residue: 5 32 - end of helix removed outlier: 3.542A pdb=" N GLU 5 37 " --> pdb=" O THR 5 33 " (cutoff:3.500A) removed outlier: 3.771A pdb=" N HIS 5 41 " --> pdb=" O GLU 5 37 " (cutoff:3.500A) Processing helix chain '5' and resid 48 through 59 Processing helix chain '5' and resid 63 through 69 removed outlier: 4.203A pdb=" N SER 5 67 " --> pdb=" O ASP 5 63 " (cutoff:3.500A) removed outlier: 3.623A pdb=" N LEU 5 68 " --> pdb=" O ARG 5 64 " (cutoff:3.500A) Proline residue: 5 69 - end of helix No H-bonds generated for 'chain '5' and resid 63 through 69' Processing helix chain '5' and resid 72 through 82 removed outlier: 3.513A pdb=" N ASN 5 79 " --> pdb=" O GLN 5 75 " (cutoff:3.500A) removed outlier: 3.638A pdb=" N PHE 5 81 " --> pdb=" O LEU 5 77 " (cutoff:3.500A) removed outlier: 4.043A pdb=" N HIS 5 82 " --> pdb=" O GLU 5 78 " (cutoff:3.500A) Processing helix chain '5' and resid 87 through 106 removed outlier: 4.614A pdb=" N HIS 5 91 " --> pdb=" O ALA 5 87 " (cutoff:3.500A) removed outlier: 4.446A pdb=" N LEU 5 92 " --> pdb=" O PRO 5 88 " (cutoff:3.500A) removed outlier: 3.675A pdb=" N LYS 5 94 " --> pdb=" O GLU 5 90 " (cutoff:3.500A) removed outlier: 4.068A pdb=" N SER 5 97 " --> pdb=" O GLU 5 93 " (cutoff:3.500A) removed outlier: 3.594A pdb=" N ALA 5 98 " --> pdb=" O LYS 5 94 " (cutoff:3.500A) removed outlier: 4.013A pdb=" N LYS 5 101 " --> pdb=" O SER 5 97 " (cutoff:3.500A) removed outlier: 3.543A pdb=" N VAL 5 102 " --> pdb=" O ALA 5 98 " (cutoff:3.500A) Processing helix chain '5' and resid 114 through 119 Processing helix chain 'a' and resid 7 through 47 removed outlier: 4.958A pdb=" N LEU a 31 " --> pdb=" O ASP a 27 " (cutoff:3.500A) Proline residue: a 32 - end of helix removed outlier: 3.542A pdb=" N GLU a 37 " --> pdb=" O THR a 33 " (cutoff:3.500A) removed outlier: 3.771A pdb=" N HIS a 41 " --> pdb=" O GLU a 37 " (cutoff:3.500A) Processing helix chain 'a' and resid 48 through 59 Processing helix chain 'a' and resid 63 through 69 removed outlier: 4.203A pdb=" N SER a 67 " --> pdb=" O ASP a 63 " (cutoff:3.500A) removed outlier: 3.623A pdb=" N LEU a 68 " --> pdb=" O ARG a 64 " (cutoff:3.500A) Proline residue: a 69 - end of helix No H-bonds generated for 'chain 'a' and resid 63 through 69' Processing helix chain 'a' and resid 72 through 82 removed outlier: 3.513A pdb=" N ASN a 79 " --> pdb=" O GLN a 75 " (cutoff:3.500A) removed outlier: 3.638A pdb=" N PHE a 81 " --> pdb=" O LEU a 77 " (cutoff:3.500A) removed outlier: 4.043A pdb=" N HIS a 82 " --> pdb=" O GLU a 78 " (cutoff:3.500A) Processing helix chain 'a' and resid 87 through 106 removed outlier: 4.614A pdb=" N HIS a 91 " --> pdb=" O ALA a 87 " (cutoff:3.500A) removed outlier: 4.446A pdb=" N LEU a 92 " --> pdb=" O PRO a 88 " (cutoff:3.500A) removed outlier: 3.675A pdb=" N LYS a 94 " --> pdb=" O GLU a 90 " (cutoff:3.500A) removed outlier: 4.068A pdb=" N SER a 97 " --> pdb=" O GLU a 93 " (cutoff:3.500A) removed outlier: 3.594A pdb=" N ALA a 98 " --> pdb=" O LYS a 94 " (cutoff:3.500A) removed outlier: 4.013A pdb=" N LYS a 101 " --> pdb=" O SER a 97 " (cutoff:3.500A) removed outlier: 3.543A pdb=" N VAL a 102 " --> pdb=" O ALA a 98 " (cutoff:3.500A) Processing helix chain 'a' and resid 114 through 119 Processing helix chain '6' and resid 30 through 43 removed outlier: 4.076A pdb=" N THR 6 42 " --> pdb=" O SER 6 38 " (cutoff:3.500A) removed outlier: 5.784A pdb=" N SER 6 43 " --> pdb=" O VAL 6 39 " (cutoff:3.500A) Processing helix chain '6' and resid 46 through 59 removed outlier: 5.438A pdb=" N LYS 6 52 " --> pdb=" O LEU 6 48 " (cutoff:3.500A) removed outlier: 4.939A pdb=" N THR 6 53 " --> pdb=" O SER 6 49 " (cutoff:3.500A) removed outlier: 3.521A pdb=" N ALA 6 58 " --> pdb=" O ILE 6 54 " (cutoff:3.500A) Processing helix chain '6' and resid 72 through 96 removed outlier: 3.838A pdb=" N ILE 6 77 " --> pdb=" O THR 6 73 " (cutoff:3.500A) removed outlier: 3.542A pdb=" N TYR 6 88 " --> pdb=" O SER 6 84 " (cutoff:3.500A) removed outlier: 3.806A pdb=" N LYS 6 95 " --> pdb=" O ASP 6 91 " (cutoff:3.500A) removed outlier: 4.023A pdb=" N ALA 6 96 " --> pdb=" O GLY 6 92 " (cutoff:3.500A) Processing helix chain '6' and resid 98 through 120 removed outlier: 3.525A pdb=" N ASN 6 106 " --> pdb=" O ASP 6 102 " (cutoff:3.500A) removed outlier: 3.898A pdb=" N VAL 6 107 " --> pdb=" O LEU 6 103 " (cutoff:3.500A) removed outlier: 3.925A pdb=" N TRP 6 112 " --> pdb=" O LEU 6 108 " (cutoff:3.500A) removed outlier: 3.605A pdb=" N LEU 6 113 " --> pdb=" O GLN 6 109 " (cutoff:3.500A) removed outlier: 3.537A pdb=" N SER 6 117 " --> pdb=" O LEU 6 113 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N SER 6 118 " --> pdb=" O ILE 6 114 " (cutoff:3.500A) Processing helix chain '6' and resid 121 through 134 removed outlier: 3.626A pdb=" N GLY 6 131 " --> pdb=" O PHE 6 127 " (cutoff:3.500A) removed outlier: 3.612A pdb=" N MET 6 132 " --> pdb=" O ALA 6 128 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N ALA 6 133 " --> pdb=" O PHE 6 129 " (cutoff:3.500A) Proline residue: 6 134 - end of helix Processing helix chain '6' and resid 144 through 149 removed outlier: 6.055A pdb=" N SER 6 148 " --> pdb=" O LYS 6 144 " (cutoff:3.500A) removed outlier: 3.792A pdb=" N ILE 6 149 " --> pdb=" O THR 6 145 " (cutoff:3.500A) No H-bonds generated for 'chain '6' and resid 144 through 149' Processing helix chain 'b' and resid 30 through 43 removed outlier: 4.076A pdb=" N THR b 42 " --> pdb=" O SER b 38 " (cutoff:3.500A) removed outlier: 5.784A pdb=" N SER b 43 " --> pdb=" O VAL b 39 " (cutoff:3.500A) Processing helix chain 'b' and resid 46 through 59 removed outlier: 5.438A pdb=" N LYS b 52 " --> pdb=" O LEU b 48 " (cutoff:3.500A) removed outlier: 4.939A pdb=" N THR b 53 " --> pdb=" O SER b 49 " (cutoff:3.500A) removed outlier: 3.521A pdb=" N ALA b 58 " --> pdb=" O ILE b 54 " (cutoff:3.500A) Processing helix chain 'b' and resid 72 through 96 removed outlier: 3.838A pdb=" N ILE b 77 " --> pdb=" O THR b 73 " (cutoff:3.500A) removed outlier: 3.542A pdb=" N TYR b 88 " --> pdb=" O SER b 84 " (cutoff:3.500A) removed outlier: 3.806A pdb=" N LYS b 95 " --> pdb=" O ASP b 91 " (cutoff:3.500A) removed outlier: 4.023A pdb=" N ALA b 96 " --> pdb=" O GLY b 92 " (cutoff:3.500A) Processing helix chain 'b' and resid 98 through 120 removed outlier: 3.525A pdb=" N ASN b 106 " --> pdb=" O ASP b 102 " (cutoff:3.500A) removed outlier: 3.898A pdb=" N VAL b 107 " --> pdb=" O LEU b 103 " (cutoff:3.500A) removed outlier: 3.925A pdb=" N TRP b 112 " --> pdb=" O LEU b 108 " (cutoff:3.500A) removed outlier: 3.605A pdb=" N LEU b 113 " --> pdb=" O GLN b 109 " (cutoff:3.500A) removed outlier: 3.537A pdb=" N SER b 117 " --> pdb=" O LEU b 113 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N SER b 118 " --> pdb=" O ILE b 114 " (cutoff:3.500A) Processing helix chain 'b' and resid 121 through 134 removed outlier: 3.626A pdb=" N GLY b 131 " --> pdb=" O PHE b 127 " (cutoff:3.500A) removed outlier: 3.612A pdb=" N MET b 132 " --> pdb=" O ALA b 128 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N ALA b 133 " --> pdb=" O PHE b 129 " (cutoff:3.500A) Proline residue: b 134 - end of helix Processing helix chain 'b' and resid 144 through 149 removed outlier: 6.055A pdb=" N SER b 148 " --> pdb=" O LYS b 144 " (cutoff:3.500A) removed outlier: 3.792A pdb=" N ILE b 149 " --> pdb=" O THR b 145 " (cutoff:3.500A) No H-bonds generated for 'chain 'b' and resid 144 through 149' Processing helix chain '7' and resid 62 through 72 removed outlier: 3.941A pdb=" N ARG 7 67 " --> pdb=" O ALA 7 63 " (cutoff:3.500A) removed outlier: 4.326A pdb=" N LYS 7 68 " --> pdb=" O ALA 7 64 " (cutoff:3.500A) removed outlier: 3.821A pdb=" N LEU 7 69 " --> pdb=" O ALA 7 65 " (cutoff:3.500A) removed outlier: 4.249A pdb=" N SER 7 70 " --> pdb=" O LEU 7 66 " (cutoff:3.500A) removed outlier: 4.625A pdb=" N GLY 7 71 " --> pdb=" O ARG 7 67 " (cutoff:3.500A) removed outlier: 4.838A pdb=" N SER 7 72 " --> pdb=" O LYS 7 68 " (cutoff:3.500A) Processing helix chain '7' and resid 83 through 106 removed outlier: 3.712A pdb=" N GLU 7 99 " --> pdb=" O SER 7 95 " (cutoff:3.500A) removed outlier: 4.010A pdb=" N LEU 7 103 " --> pdb=" O GLU 7 99 " (cutoff:3.500A) removed outlier: 3.899A pdb=" N GLN 7 106 " --> pdb=" O GLN 7 102 " (cutoff:3.500A) Processing helix chain '7' and resid 109 through 115 removed outlier: 4.725A pdb=" N MET 7 113 " --> pdb=" O ASP 7 109 " (cutoff:3.500A) removed outlier: 4.087A pdb=" N TYR 7 114 " --> pdb=" O PHE 7 110 " (cutoff:3.500A) removed outlier: 5.457A pdb=" N GLY 7 115 " --> pdb=" O THR 7 111 " (cutoff:3.500A) No H-bonds generated for 'chain '7' and resid 109 through 115' Processing helix chain '7' and resid 116 through 122 removed outlier: 3.517A pdb=" N TYR 7 120 " --> pdb=" O LYS 7 116 " (cutoff:3.500A) removed outlier: 4.172A pdb=" N ARG 7 121 " --> pdb=" O ASP 7 117 " (cutoff:3.500A) removed outlier: 3.618A pdb=" N ALA 7 122 " --> pdb=" O PHE 7 118 " (cutoff:3.500A) No H-bonds generated for 'chain '7' and resid 116 through 122' Processing helix chain '7' and resid 123 through 147 removed outlier: 3.574A pdb=" N LYS 7 128 " --> pdb=" O PRO 7 124 " (cutoff:3.500A) removed outlier: 3.583A pdb=" N TYR 7 137 " --> pdb=" O ALA 7 133 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N TYR 7 138 " --> pdb=" O ALA 7 134 " (cutoff:3.500A) removed outlier: 3.500A pdb=" N THR 7 143 " --> pdb=" O LYS 7 139 " (cutoff:3.500A) removed outlier: 3.931A pdb=" N GLU 7 146 " --> pdb=" O GLU 7 142 " (cutoff:3.500A) removed outlier: 5.644A pdb=" N PHE 7 147 " --> pdb=" O THR 7 143 " (cutoff:3.500A) Processing helix chain '7' and resid 148 through 166 removed outlier: 5.030A pdb=" N ALA 7 152 " --> pdb=" O ASP 7 148 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N SER 7 155 " --> pdb=" O SER 7 151 " (cutoff:3.500A) removed outlier: 3.922A pdb=" N GLN 7 156 " --> pdb=" O ALA 7 152 " (cutoff:3.500A) removed outlier: 3.811A pdb=" N VAL 7 157 " --> pdb=" O LEU 7 153 " (cutoff:3.500A) Proline residue: 7 159 - end of helix Processing helix chain '7' and resid 174 through 188 removed outlier: 3.633A pdb=" N ASN 7 184 " --> pdb=" O GLY 7 180 " (cutoff:3.500A) removed outlier: 3.538A pdb=" N SER 7 188 " --> pdb=" O ASN 7 184 " (cutoff:3.500A) Processing helix chain 'c' and resid 62 through 72 removed outlier: 3.941A pdb=" N ARG c 67 " --> pdb=" O ALA c 63 " (cutoff:3.500A) removed outlier: 4.326A pdb=" N LYS c 68 " --> pdb=" O ALA c 64 " (cutoff:3.500A) removed outlier: 3.821A pdb=" N LEU c 69 " --> pdb=" O ALA c 65 " (cutoff:3.500A) removed outlier: 4.249A pdb=" N SER c 70 " --> pdb=" O LEU c 66 " (cutoff:3.500A) removed outlier: 4.625A pdb=" N GLY c 71 " --> pdb=" O ARG c 67 " (cutoff:3.500A) removed outlier: 4.838A pdb=" N SER c 72 " --> pdb=" O LYS c 68 " (cutoff:3.500A) Processing helix chain 'c' and resid 83 through 106 removed outlier: 3.712A pdb=" N GLU c 99 " --> pdb=" O SER c 95 " (cutoff:3.500A) removed outlier: 4.010A pdb=" N LEU c 103 " --> pdb=" O GLU c 99 " (cutoff:3.500A) removed outlier: 3.899A pdb=" N GLN c 106 " --> pdb=" O GLN c 102 " (cutoff:3.500A) Processing helix chain 'c' and resid 109 through 115 removed outlier: 4.725A pdb=" N MET c 113 " --> pdb=" O ASP c 109 " (cutoff:3.500A) removed outlier: 4.087A pdb=" N TYR c 114 " --> pdb=" O PHE c 110 " (cutoff:3.500A) removed outlier: 5.457A pdb=" N GLY c 115 " --> pdb=" O THR c 111 " (cutoff:3.500A) No H-bonds generated for 'chain 'c' and resid 109 through 115' Processing helix chain 'c' and resid 116 through 122 removed outlier: 3.517A pdb=" N TYR c 120 " --> pdb=" O LYS c 116 " (cutoff:3.500A) removed outlier: 4.172A pdb=" N ARG c 121 " --> pdb=" O ASP c 117 " (cutoff:3.500A) removed outlier: 3.618A pdb=" N ALA c 122 " --> pdb=" O PHE c 118 " (cutoff:3.500A) No H-bonds generated for 'chain 'c' and resid 116 through 122' Processing helix chain 'c' and resid 123 through 147 removed outlier: 3.574A pdb=" N LYS c 128 " --> pdb=" O PRO c 124 " (cutoff:3.500A) removed outlier: 3.583A pdb=" N TYR c 137 " --> pdb=" O ALA c 133 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N TYR c 138 " --> pdb=" O ALA c 134 " (cutoff:3.500A) removed outlier: 3.500A pdb=" N THR c 143 " --> pdb=" O LYS c 139 " (cutoff:3.500A) removed outlier: 3.931A pdb=" N GLU c 146 " --> pdb=" O GLU c 142 " (cutoff:3.500A) removed outlier: 5.644A pdb=" N PHE c 147 " --> pdb=" O THR c 143 " (cutoff:3.500A) Processing helix chain 'c' and resid 148 through 166 removed outlier: 5.030A pdb=" N ALA c 152 " --> pdb=" O ASP c 148 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N SER c 155 " --> pdb=" O SER c 151 " (cutoff:3.500A) removed outlier: 3.922A pdb=" N GLN c 156 " --> pdb=" O ALA c 152 " (cutoff:3.500A) removed outlier: 3.811A pdb=" N VAL c 157 " --> pdb=" O LEU c 153 " (cutoff:3.500A) Proline residue: c 159 - end of helix Processing helix chain 'c' and resid 174 through 188 removed outlier: 3.633A pdb=" N ASN c 184 " --> pdb=" O GLY c 180 " (cutoff:3.500A) removed outlier: 3.538A pdb=" N SER c 188 " --> pdb=" O ASN c 184 " (cutoff:3.500A) Processing helix chain '8' and resid 4 through 9 removed outlier: 6.401A pdb=" N LEU 8 8 " --> pdb=" O GLY 8 4 " (cutoff:3.500A) removed outlier: 3.663A pdb=" N LYS 8 9 " --> pdb=" O GLU 8 5 " (cutoff:3.500A) No H-bonds generated for 'chain '8' and resid 4 through 9' Processing helix chain '8' and resid 26 through 31 removed outlier: 3.520A pdb=" N SER 8 31 " --> pdb=" O PRO 8 27 " (cutoff:3.500A) Processing helix chain '8' and resid 32 through 38 Processing helix chain '8' and resid 44 through 80 removed outlier: 3.825A pdb=" N ALA 8 76 " --> pdb=" O ALA 8 72 " (cutoff:3.500A) removed outlier: 4.464A pdb=" N ALA 8 79 " --> pdb=" O GLU 8 75 " (cutoff:3.500A) Processing helix chain 'd' and resid 4 through 9 removed outlier: 6.401A pdb=" N LEU d 8 " --> pdb=" O GLY d 4 " (cutoff:3.500A) removed outlier: 3.663A pdb=" N LYS d 9 " --> pdb=" O GLU d 5 " (cutoff:3.500A) No H-bonds generated for 'chain 'd' and resid 4 through 9' Processing helix chain 'd' and resid 26 through 31 removed outlier: 3.520A pdb=" N SER d 31 " --> pdb=" O PRO d 27 " (cutoff:3.500A) Processing helix chain 'd' and resid 32 through 38 Processing helix chain 'd' and resid 44 through 80 removed outlier: 3.825A pdb=" N ALA d 76 " --> pdb=" O ALA d 72 " (cutoff:3.500A) removed outlier: 4.464A pdb=" N ALA d 79 " --> pdb=" O GLU d 75 " (cutoff:3.500A) Processing helix chain '9' and resid 3 through 17 removed outlier: 4.962A pdb=" N LEU 9 7 " --> pdb=" O VAL 9 3 " (cutoff:3.500A) removed outlier: 4.203A pdb=" N GLY 9 8 " --> pdb=" O THR 9 4 " (cutoff:3.500A) removed outlier: 3.899A pdb=" N LYS 9 9 " --> pdb=" O SER 9 5 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N ASP 9 17 " --> pdb=" O LYS 9 13 " (cutoff:3.500A) Processing helix chain '9' and resid 19 through 24 removed outlier: 3.592A pdb=" N PHE 9 24 " --> pdb=" O ALA 9 20 " (cutoff:3.500A) Processing helix chain '9' and resid 26 through 31 removed outlier: 5.353A pdb=" N SER 9 31 " --> pdb=" O ASN 9 27 " (cutoff:3.500A) Processing helix chain '9' and resid 32 through 57 removed outlier: 4.280A pdb=" N TYR 9 36 " --> pdb=" O SER 9 32 " (cutoff:3.500A) removed outlier: 3.674A pdb=" N ALA 9 38 " --> pdb=" O GLY 9 34 " (cutoff:3.500A) removed outlier: 3.584A pdb=" N LEU 9 39 " --> pdb=" O GLN 9 35 " (cutoff:3.500A) removed outlier: 4.171A pdb=" N VAL 9 42 " --> pdb=" O ALA 9 38 " (cutoff:3.500A) removed outlier: 4.129A pdb=" N ASN 9 56 " --> pdb=" O LEU 9 52 " (cutoff:3.500A) Processing helix chain '9' and resid 82 through 97 removed outlier: 3.638A pdb=" N GLU 9 88 " --> pdb=" O ALA 9 84 " (cutoff:3.500A) removed outlier: 3.799A pdb=" N LYS 9 95 " --> pdb=" O LYS 9 91 " (cutoff:3.500A) removed outlier: 3.665A pdb=" N SER 9 96 " --> pdb=" O GLU 9 92 " (cutoff:3.500A) Processing helix chain 'e' and resid 3 through 17 removed outlier: 4.962A pdb=" N LEU e 7 " --> pdb=" O VAL e 3 " (cutoff:3.500A) removed outlier: 4.203A pdb=" N GLY e 8 " --> pdb=" O THR e 4 " (cutoff:3.500A) removed outlier: 3.899A pdb=" N LYS e 9 " --> pdb=" O SER e 5 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N ASP e 17 " --> pdb=" O LYS e 13 " (cutoff:3.500A) Processing helix chain 'e' and resid 19 through 24 removed outlier: 3.592A pdb=" N PHE e 24 " --> pdb=" O ALA e 20 " (cutoff:3.500A) Processing helix chain 'e' and resid 26 through 31 removed outlier: 5.353A pdb=" N SER e 31 " --> pdb=" O ASN e 27 " (cutoff:3.500A) Processing helix chain 'e' and resid 32 through 57 removed outlier: 4.280A pdb=" N TYR e 36 " --> pdb=" O SER e 32 " (cutoff:3.500A) removed outlier: 3.674A pdb=" N ALA e 38 " --> pdb=" O GLY e 34 " (cutoff:3.500A) removed outlier: 3.584A pdb=" N LEU e 39 " --> pdb=" O GLN e 35 " (cutoff:3.500A) removed outlier: 4.171A pdb=" N VAL e 42 " --> pdb=" O ALA e 38 " (cutoff:3.500A) removed outlier: 4.129A pdb=" N ASN e 56 " --> pdb=" O LEU e 52 " (cutoff:3.500A) Processing helix chain 'e' and resid 82 through 97 removed outlier: 3.638A pdb=" N GLU e 88 " --> pdb=" O ALA e 84 " (cutoff:3.500A) removed outlier: 3.799A pdb=" N LYS e 95 " --> pdb=" O LYS e 91 " (cutoff:3.500A) removed outlier: 3.665A pdb=" N SER e 96 " --> pdb=" O GLU e 92 " (cutoff:3.500A) Processing helix chain 'A' and resid 54 through 93 removed outlier: 3.907A pdb=" N MET A 61 " --> pdb=" O ALA A 57 " (cutoff:3.500A) removed outlier: 3.558A pdb=" N GLY A 65 " --> pdb=" O MET A 61 " (cutoff:3.500A) removed outlier: 4.008A pdb=" N ILE A 69 " --> pdb=" O GLY A 65 " (cutoff:3.500A) removed outlier: 5.296A pdb=" N ALA A 70 " --> pdb=" O CYS A 66 " (cutoff:3.500A) removed outlier: 5.660A pdb=" N LEU A 71 " --> pdb=" O ALA A 67 " (cutoff:3.500A) removed outlier: 4.873A pdb=" N ALA A 72 " --> pdb=" O THR A 68 " (cutoff:3.500A) removed outlier: 4.265A pdb=" N GLY A 73 " --> pdb=" O ILE A 69 " (cutoff:3.500A) removed outlier: 3.565A pdb=" N VAL A 74 " --> pdb=" O ALA A 70 " (cutoff:3.500A) removed outlier: 3.714A pdb=" N GLY A 79 " --> pdb=" O GLY A 75 " (cutoff:3.500A) removed outlier: 3.713A pdb=" N ILE A 86 " --> pdb=" O PHE A 82 " (cutoff:3.500A) removed outlier: 3.585A pdb=" N ASN A 92 " --> pdb=" O GLY A 88 " (cutoff:3.500A) Proline residue: A 93 - end of helix Processing helix chain 'A' and resid 94 through 126 removed outlier: 6.134A pdb=" N GLN A 98 " --> pdb=" O ASN A 94 " (cutoff:3.500A) removed outlier: 4.017A pdb=" N VAL A 100 " --> pdb=" O ALA A 96 " (cutoff:3.500A) removed outlier: 3.672A pdb=" N GLY A 101 " --> pdb=" O LYS A 97 " (cutoff:3.500A) removed outlier: 3.582A pdb=" N LEU A 105 " --> pdb=" O GLY A 101 " (cutoff:3.500A) removed outlier: 4.035A pdb=" N ILE A 113 " --> pdb=" O LEU A 109 " (cutoff:3.500A) removed outlier: 3.586A pdb=" N ALA A 114 " --> pdb=" O THR A 110 " (cutoff:3.500A) Processing helix chain 'B' and resid 54 through 93 removed outlier: 3.921A pdb=" N MET B 61 " --> pdb=" O ALA B 57 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ILE B 69 " --> pdb=" O GLY B 65 " (cutoff:3.500A) removed outlier: 5.238A pdb=" N ALA B 70 " --> pdb=" O CYS B 66 " (cutoff:3.500A) removed outlier: 5.148A pdb=" N LEU B 71 " --> pdb=" O ALA B 67 " (cutoff:3.500A) removed outlier: 4.833A pdb=" N ALA B 72 " --> pdb=" O THR B 68 " (cutoff:3.500A) removed outlier: 4.571A pdb=" N GLY B 73 " --> pdb=" O ILE B 69 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N VAL B 74 " --> pdb=" O ALA B 70 " (cutoff:3.500A) removed outlier: 3.723A pdb=" N SER B 84 " --> pdb=" O VAL B 80 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N ILE B 86 " --> pdb=" O PHE B 82 " (cutoff:3.500A) Proline residue: B 93 - end of helix Processing helix chain 'B' and resid 94 through 126 removed outlier: 6.067A pdb=" N GLN B 98 " --> pdb=" O ASN B 94 " (cutoff:3.500A) removed outlier: 4.025A pdb=" N VAL B 100 " --> pdb=" O ALA B 96 " (cutoff:3.500A) removed outlier: 4.014A pdb=" N GLY B 101 " --> pdb=" O LYS B 97 " (cutoff:3.500A) removed outlier: 4.173A pdb=" N ILE B 113 " --> pdb=" O LEU B 109 " (cutoff:3.500A) removed outlier: 3.668A pdb=" N LEU B 118 " --> pdb=" O ALA B 114 " (cutoff:3.500A) removed outlier: 3.567A pdb=" N VAL B 120 " --> pdb=" O PHE B 116 " (cutoff:3.500A) Processing helix chain 'C' and resid 54 through 93 removed outlier: 3.628A pdb=" N MET C 61 " --> pdb=" O ALA C 57 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N VAL C 62 " --> pdb=" O ALA C 58 " (cutoff:3.500A) removed outlier: 3.752A pdb=" N THR C 68 " --> pdb=" O ALA C 64 " (cutoff:3.500A) removed outlier: 4.205A pdb=" N ILE C 69 " --> pdb=" O GLY C 65 " (cutoff:3.500A) removed outlier: 4.894A pdb=" N ALA C 70 " --> pdb=" O CYS C 66 " (cutoff:3.500A) removed outlier: 5.481A pdb=" N LEU C 71 " --> pdb=" O ALA C 67 " (cutoff:3.500A) removed outlier: 4.382A pdb=" N ALA C 72 " --> pdb=" O THR C 68 " (cutoff:3.500A) removed outlier: 4.400A pdb=" N GLY C 73 " --> pdb=" O ILE C 69 " (cutoff:3.500A) removed outlier: 3.677A pdb=" N VAL C 74 " --> pdb=" O ALA C 70 " (cutoff:3.500A) removed outlier: 3.562A pdb=" N GLY C 79 " --> pdb=" O GLY C 75 " (cutoff:3.500A) removed outlier: 3.676A pdb=" N ILE C 86 " --> pdb=" O PHE C 82 " (cutoff:3.500A) removed outlier: 3.974A pdb=" N ARG C 91 " --> pdb=" O ASN C 87 " (cutoff:3.500A) removed outlier: 3.726A pdb=" N ASN C 92 " --> pdb=" O GLY C 88 " (cutoff:3.500A) Proline residue: C 93 - end of helix Processing helix chain 'C' and resid 94 through 126 removed outlier: 5.886A pdb=" N GLN C 98 " --> pdb=" O ASN C 94 " (cutoff:3.500A) removed outlier: 3.865A pdb=" N VAL C 100 " --> pdb=" O ALA C 96 " (cutoff:3.500A) removed outlier: 3.975A pdb=" N GLY C 101 " --> pdb=" O LYS C 97 " (cutoff:3.500A) removed outlier: 3.751A pdb=" N LEU C 105 " --> pdb=" O GLY C 101 " (cutoff:3.500A) removed outlier: 3.573A pdb=" N SER C 112 " --> pdb=" O ALA C 108 " (cutoff:3.500A) removed outlier: 4.666A pdb=" N ILE C 113 " --> pdb=" O LEU C 109 " (cutoff:3.500A) removed outlier: 3.670A pdb=" N ALA C 114 " --> pdb=" O THR C 110 " (cutoff:3.500A) removed outlier: 3.534A pdb=" N LEU C 119 " --> pdb=" O LEU C 115 " (cutoff:3.500A) Processing helix chain 'D' and resid 54 through 93 removed outlier: 4.021A pdb=" N MET D 61 " --> pdb=" O ALA D 57 " (cutoff:3.500A) removed outlier: 4.024A pdb=" N ILE D 69 " --> pdb=" O GLY D 65 " (cutoff:3.500A) removed outlier: 4.907A pdb=" N ALA D 70 " --> pdb=" O CYS D 66 " (cutoff:3.500A) removed outlier: 5.211A pdb=" N LEU D 71 " --> pdb=" O ALA D 67 " (cutoff:3.500A) removed outlier: 4.366A pdb=" N ALA D 72 " --> pdb=" O THR D 68 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N GLY D 73 " --> pdb=" O ILE D 69 " (cutoff:3.500A) removed outlier: 3.764A pdb=" N VAL D 74 " --> pdb=" O ALA D 70 " (cutoff:3.500A) removed outlier: 3.640A pdb=" N GLY D 79 " --> pdb=" O GLY D 75 " (cutoff:3.500A) removed outlier: 3.701A pdb=" N VAL D 80 " --> pdb=" O ALA D 76 " (cutoff:3.500A) removed outlier: 3.622A pdb=" N ILE D 86 " --> pdb=" O PHE D 82 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N ARG D 91 " --> pdb=" O ASN D 87 " (cutoff:3.500A) removed outlier: 3.736A pdb=" N ASN D 92 " --> pdb=" O GLY D 88 " (cutoff:3.500A) Proline residue: D 93 - end of helix Processing helix chain 'D' and resid 94 through 126 removed outlier: 5.596A pdb=" N GLN D 98 " --> pdb=" O ASN D 94 " (cutoff:3.500A) removed outlier: 3.670A pdb=" N VAL D 100 " --> pdb=" O ALA D 96 " (cutoff:3.500A) removed outlier: 4.207A pdb=" N GLY D 101 " --> pdb=" O LYS D 97 " (cutoff:3.500A) removed outlier: 3.762A pdb=" N LEU D 105 " --> pdb=" O GLY D 101 " (cutoff:3.500A) removed outlier: 4.211A pdb=" N ILE D 113 " --> pdb=" O LEU D 109 " (cutoff:3.500A) removed outlier: 3.683A pdb=" N VAL D 120 " --> pdb=" O PHE D 116 " (cutoff:3.500A) removed outlier: 3.831A pdb=" N PHE D 126 " --> pdb=" O PHE D 122 " (cutoff:3.500A) Processing helix chain 'E' and resid 54 through 93 removed outlier: 3.994A pdb=" N MET E 61 " --> pdb=" O ALA E 57 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N VAL E 62 " --> pdb=" O ALA E 58 " (cutoff:3.500A) removed outlier: 3.500A pdb=" N CYS E 66 " --> pdb=" O VAL E 62 " (cutoff:3.500A) removed outlier: 3.607A pdb=" N THR E 68 " --> pdb=" O ALA E 64 " (cutoff:3.500A) removed outlier: 4.160A pdb=" N ILE E 69 " --> pdb=" O GLY E 65 " (cutoff:3.500A) removed outlier: 4.670A pdb=" N ALA E 70 " --> pdb=" O CYS E 66 " (cutoff:3.500A) removed outlier: 5.164A pdb=" N LEU E 71 " --> pdb=" O ALA E 67 " (cutoff:3.500A) removed outlier: 4.441A pdb=" N ALA E 72 " --> pdb=" O THR E 68 " (cutoff:3.500A) removed outlier: 4.319A pdb=" N GLY E 73 " --> pdb=" O ILE E 69 " (cutoff:3.500A) removed outlier: 3.733A pdb=" N VAL E 74 " --> pdb=" O ALA E 70 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N VAL E 80 " --> pdb=" O ALA E 76 " (cutoff:3.500A) removed outlier: 3.819A pdb=" N ILE E 86 " --> pdb=" O PHE E 82 " (cutoff:3.500A) Proline residue: E 93 - end of helix Processing helix chain 'E' and resid 94 through 126 removed outlier: 6.046A pdb=" N GLN E 98 " --> pdb=" O ASN E 94 " (cutoff:3.500A) removed outlier: 4.154A pdb=" N VAL E 100 " --> pdb=" O ALA E 96 " (cutoff:3.500A) removed outlier: 4.209A pdb=" N LEU E 105 " --> pdb=" O GLY E 101 " (cutoff:3.500A) removed outlier: 3.533A pdb=" N SER E 112 " --> pdb=" O ALA E 108 " (cutoff:3.500A) removed outlier: 4.222A pdb=" N ILE E 113 " --> pdb=" O LEU E 109 " (cutoff:3.500A) removed outlier: 3.603A pdb=" N ALA E 114 " --> pdb=" O THR E 110 " (cutoff:3.500A) removed outlier: 3.514A pdb=" N PHE E 122 " --> pdb=" O LEU E 118 " (cutoff:3.500A) removed outlier: 3.746A pdb=" N LEU E 125 " --> pdb=" O VAL E 121 " (cutoff:3.500A) Processing helix chain 'F' and resid 54 through 93 removed outlier: 3.986A pdb=" N MET F 61 " --> pdb=" O ALA F 57 " (cutoff:3.500A) removed outlier: 3.856A pdb=" N ILE F 69 " --> pdb=" O GLY F 65 " (cutoff:3.500A) removed outlier: 5.112A pdb=" N ALA F 70 " --> pdb=" O CYS F 66 " (cutoff:3.500A) removed outlier: 5.577A pdb=" N LEU F 71 " --> pdb=" O ALA F 67 " (cutoff:3.500A) removed outlier: 4.717A pdb=" N ALA F 72 " --> pdb=" O THR F 68 " (cutoff:3.500A) removed outlier: 4.145A pdb=" N GLY F 73 " --> pdb=" O ILE F 69 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N GLY F 79 " --> pdb=" O GLY F 75 " (cutoff:3.500A) removed outlier: 3.714A pdb=" N ILE F 86 " --> pdb=" O PHE F 82 " (cutoff:3.500A) Proline residue: F 93 - end of helix Processing helix chain 'F' and resid 94 through 126 removed outlier: 6.165A pdb=" N GLN F 98 " --> pdb=" O ASN F 94 " (cutoff:3.500A) removed outlier: 4.254A pdb=" N VAL F 100 " --> pdb=" O ALA F 96 " (cutoff:3.500A) removed outlier: 3.703A pdb=" N GLY F 101 " --> pdb=" O LYS F 97 " (cutoff:3.500A) removed outlier: 4.105A pdb=" N LEU F 105 " --> pdb=" O GLY F 101 " (cutoff:3.500A) removed outlier: 4.616A pdb=" N ILE F 113 " --> pdb=" O LEU F 109 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N PHE F 122 " --> pdb=" O LEU F 118 " (cutoff:3.500A) removed outlier: 3.739A pdb=" N ILE F 124 " --> pdb=" O VAL F 120 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N LEU F 125 " --> pdb=" O VAL F 121 " (cutoff:3.500A) Processing helix chain 'G' and resid 54 through 93 removed outlier: 3.958A pdb=" N MET G 61 " --> pdb=" O ALA G 57 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N ILE G 69 " --> pdb=" O GLY G 65 " (cutoff:3.500A) removed outlier: 5.061A pdb=" N ALA G 70 " --> pdb=" O CYS G 66 " (cutoff:3.500A) removed outlier: 5.310A pdb=" N LEU G 71 " --> pdb=" O ALA G 67 " (cutoff:3.500A) removed outlier: 4.677A pdb=" N ALA G 72 " --> pdb=" O THR G 68 " (cutoff:3.500A) removed outlier: 4.283A pdb=" N GLY G 73 " --> pdb=" O ILE G 69 " (cutoff:3.500A) removed outlier: 3.583A pdb=" N VAL G 74 " --> pdb=" O ALA G 70 " (cutoff:3.500A) removed outlier: 3.724A pdb=" N GLY G 79 " --> pdb=" O GLY G 75 " (cutoff:3.500A) removed outlier: 3.591A pdb=" N VAL G 80 " --> pdb=" O ALA G 76 " (cutoff:3.500A) removed outlier: 3.913A pdb=" N ILE G 86 " --> pdb=" O PHE G 82 " (cutoff:3.500A) removed outlier: 3.897A pdb=" N ASN G 92 " --> pdb=" O GLY G 88 " (cutoff:3.500A) Proline residue: G 93 - end of helix Processing helix chain 'G' and resid 94 through 126 removed outlier: 5.844A pdb=" N GLN G 98 " --> pdb=" O ASN G 94 " (cutoff:3.500A) removed outlier: 3.894A pdb=" N VAL G 100 " --> pdb=" O ALA G 96 " (cutoff:3.500A) removed outlier: 3.640A pdb=" N LEU G 105 " --> pdb=" O GLY G 101 " (cutoff:3.500A) removed outlier: 4.171A pdb=" N ILE G 113 " --> pdb=" O LEU G 109 " (cutoff:3.500A) removed outlier: 3.526A pdb=" N ALA G 114 " --> pdb=" O THR G 110 " (cutoff:3.500A) removed outlier: 3.523A pdb=" N PHE G 116 " --> pdb=" O SER G 112 " (cutoff:3.500A) removed outlier: 3.517A pdb=" N PHE G 122 " --> pdb=" O LEU G 118 " (cutoff:3.500A) removed outlier: 3.798A pdb=" N LEU G 125 " --> pdb=" O VAL G 121 " (cutoff:3.500A) Processing helix chain 'H' and resid 54 through 93 removed outlier: 3.786A pdb=" N MET H 61 " --> pdb=" O ALA H 57 " (cutoff:3.500A) removed outlier: 3.647A pdb=" N THR H 68 " --> pdb=" O ALA H 64 " (cutoff:3.500A) removed outlier: 4.035A pdb=" N ILE H 69 " --> pdb=" O GLY H 65 " (cutoff:3.500A) removed outlier: 5.129A pdb=" N ALA H 70 " --> pdb=" O CYS H 66 " (cutoff:3.500A) removed outlier: 5.324A pdb=" N LEU H 71 " --> pdb=" O ALA H 67 " (cutoff:3.500A) removed outlier: 4.602A pdb=" N ALA H 72 " --> pdb=" O THR H 68 " (cutoff:3.500A) removed outlier: 4.518A pdb=" N GLY H 73 " --> pdb=" O ILE H 69 " (cutoff:3.500A) removed outlier: 3.543A pdb=" N VAL H 74 " --> pdb=" O ALA H 70 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N LEU H 85 " --> pdb=" O MET H 81 " (cutoff:3.500A) removed outlier: 3.869A pdb=" N ILE H 86 " --> pdb=" O PHE H 82 " (cutoff:3.500A) removed outlier: 3.585A pdb=" N ASN H 92 " --> pdb=" O GLY H 88 " (cutoff:3.500A) Proline residue: H 93 - end of helix Processing helix chain 'H' and resid 94 through 126 removed outlier: 5.738A pdb=" N GLN H 98 " --> pdb=" O ASN H 94 " (cutoff:3.500A) removed outlier: 4.092A pdb=" N VAL H 100 " --> pdb=" O ALA H 96 " (cutoff:3.500A) removed outlier: 4.046A pdb=" N GLY H 101 " --> pdb=" O LYS H 97 " (cutoff:3.500A) removed outlier: 4.532A pdb=" N ILE H 113 " --> pdb=" O LEU H 109 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N VAL H 120 " --> pdb=" O PHE H 116 " (cutoff:3.500A) Processing helix chain 'I' and resid 54 through 93 removed outlier: 4.072A pdb=" N MET I 61 " --> pdb=" O ALA I 57 " (cutoff:3.500A) removed outlier: 3.771A pdb=" N THR I 68 " --> pdb=" O ALA I 64 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N ILE I 69 " --> pdb=" O GLY I 65 " (cutoff:3.500A) removed outlier: 5.837A pdb=" N ALA I 70 " --> pdb=" O CYS I 66 " (cutoff:3.500A) removed outlier: 5.468A pdb=" N LEU I 71 " --> pdb=" O ALA I 67 " (cutoff:3.500A) removed outlier: 4.603A pdb=" N ALA I 72 " --> pdb=" O THR I 68 " (cutoff:3.500A) removed outlier: 4.310A pdb=" N GLY I 73 " --> pdb=" O ILE I 69 " (cutoff:3.500A) removed outlier: 3.582A pdb=" N VAL I 74 " --> pdb=" O ALA I 70 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ILE I 86 " --> pdb=" O PHE I 82 " (cutoff:3.500A) removed outlier: 3.517A pdb=" N ASN I 92 " --> pdb=" O GLY I 88 " (cutoff:3.500A) Proline residue: I 93 - end of helix Processing helix chain 'I' and resid 94 through 126 removed outlier: 5.628A pdb=" N GLN I 98 " --> pdb=" O ASN I 94 " (cutoff:3.500A) removed outlier: 4.140A pdb=" N VAL I 100 " --> pdb=" O ALA I 96 " (cutoff:3.500A) removed outlier: 3.799A pdb=" N GLY I 101 " --> pdb=" O LYS I 97 " (cutoff:3.500A) removed outlier: 3.668A pdb=" N SER I 112 " --> pdb=" O ALA I 108 " (cutoff:3.500A) removed outlier: 4.413A pdb=" N ILE I 113 " --> pdb=" O LEU I 109 " (cutoff:3.500A) removed outlier: 3.544A pdb=" N ALA I 114 " --> pdb=" O THR I 110 " (cutoff:3.500A) removed outlier: 4.209A pdb=" N VAL I 120 " --> pdb=" O PHE I 116 " (cutoff:3.500A) removed outlier: 3.640A pdb=" N LEU I 125 " --> pdb=" O VAL I 121 " (cutoff:3.500A) Processing helix chain 'J' and resid 54 through 93 removed outlier: 3.817A pdb=" N MET J 61 " --> pdb=" O ALA J 57 " (cutoff:3.500A) removed outlier: 3.665A pdb=" N VAL J 62 " --> pdb=" O ALA J 58 " (cutoff:3.500A) removed outlier: 3.562A pdb=" N THR J 68 " --> pdb=" O ALA J 64 " (cutoff:3.500A) removed outlier: 4.132A pdb=" N ILE J 69 " --> pdb=" O GLY J 65 " (cutoff:3.500A) removed outlier: 4.934A pdb=" N ALA J 70 " --> pdb=" O CYS J 66 " (cutoff:3.500A) removed outlier: 5.346A pdb=" N LEU J 71 " --> pdb=" O ALA J 67 " (cutoff:3.500A) removed outlier: 4.563A pdb=" N ALA J 72 " --> pdb=" O THR J 68 " (cutoff:3.500A) removed outlier: 4.370A pdb=" N GLY J 73 " --> pdb=" O ILE J 69 " (cutoff:3.500A) removed outlier: 3.872A pdb=" N GLY J 79 " --> pdb=" O GLY J 75 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ILE J 86 " --> pdb=" O PHE J 82 " (cutoff:3.500A) removed outlier: 3.525A pdb=" N ASN J 92 " --> pdb=" O GLY J 88 " (cutoff:3.500A) Proline residue: J 93 - end of helix Processing helix chain 'J' and resid 94 through 126 removed outlier: 6.082A pdb=" N GLN J 98 " --> pdb=" O ASN J 94 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N VAL J 100 " --> pdb=" O ALA J 96 " (cutoff:3.500A) removed outlier: 3.742A pdb=" N GLY J 101 " --> pdb=" O LYS J 97 " (cutoff:3.500A) removed outlier: 3.504A pdb=" N SER J 112 " --> pdb=" O ALA J 108 " (cutoff:3.500A) removed outlier: 4.166A pdb=" N ILE J 113 " --> pdb=" O LEU J 109 " (cutoff:3.500A) removed outlier: 3.696A pdb=" N PHE J 126 " --> pdb=" O PHE J 122 " (cutoff:3.500A) Processing helix chain 'f' and resid 54 through 93 removed outlier: 3.907A pdb=" N MET f 61 " --> pdb=" O ALA f 57 " (cutoff:3.500A) removed outlier: 3.558A pdb=" N GLY f 65 " --> pdb=" O MET f 61 " (cutoff:3.500A) removed outlier: 4.008A pdb=" N ILE f 69 " --> pdb=" O GLY f 65 " (cutoff:3.500A) removed outlier: 5.296A pdb=" N ALA f 70 " --> pdb=" O CYS f 66 " (cutoff:3.500A) removed outlier: 5.660A pdb=" N LEU f 71 " --> pdb=" O ALA f 67 " (cutoff:3.500A) removed outlier: 4.873A pdb=" N ALA f 72 " --> pdb=" O THR f 68 " (cutoff:3.500A) removed outlier: 4.265A pdb=" N GLY f 73 " --> pdb=" O ILE f 69 " (cutoff:3.500A) removed outlier: 3.565A pdb=" N VAL f 74 " --> pdb=" O ALA f 70 " (cutoff:3.500A) removed outlier: 3.714A pdb=" N GLY f 79 " --> pdb=" O GLY f 75 " (cutoff:3.500A) removed outlier: 3.713A pdb=" N ILE f 86 " --> pdb=" O PHE f 82 " (cutoff:3.500A) removed outlier: 3.585A pdb=" N ASN f 92 " --> pdb=" O GLY f 88 " (cutoff:3.500A) Proline residue: f 93 - end of helix Processing helix chain 'f' and resid 94 through 126 removed outlier: 6.134A pdb=" N GLN f 98 " --> pdb=" O ASN f 94 " (cutoff:3.500A) removed outlier: 4.017A pdb=" N VAL f 100 " --> pdb=" O ALA f 96 " (cutoff:3.500A) removed outlier: 3.672A pdb=" N GLY f 101 " --> pdb=" O LYS f 97 " (cutoff:3.500A) removed outlier: 3.582A pdb=" N LEU f 105 " --> pdb=" O GLY f 101 " (cutoff:3.500A) removed outlier: 4.035A pdb=" N ILE f 113 " --> pdb=" O LEU f 109 " (cutoff:3.500A) removed outlier: 3.586A pdb=" N ALA f 114 " --> pdb=" O THR f 110 " (cutoff:3.500A) Processing helix chain 'g' and resid 54 through 93 removed outlier: 3.921A pdb=" N MET g 61 " --> pdb=" O ALA g 57 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ILE g 69 " --> pdb=" O GLY g 65 " (cutoff:3.500A) removed outlier: 5.238A pdb=" N ALA g 70 " --> pdb=" O CYS g 66 " (cutoff:3.500A) removed outlier: 5.148A pdb=" N LEU g 71 " --> pdb=" O ALA g 67 " (cutoff:3.500A) removed outlier: 4.833A pdb=" N ALA g 72 " --> pdb=" O THR g 68 " (cutoff:3.500A) removed outlier: 4.571A pdb=" N GLY g 73 " --> pdb=" O ILE g 69 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N VAL g 74 " --> pdb=" O ALA g 70 " (cutoff:3.500A) removed outlier: 3.723A pdb=" N SER g 84 " --> pdb=" O VAL g 80 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N ILE g 86 " --> pdb=" O PHE g 82 " (cutoff:3.500A) Proline residue: g 93 - end of helix Processing helix chain 'g' and resid 94 through 126 removed outlier: 6.067A pdb=" N GLN g 98 " --> pdb=" O ASN g 94 " (cutoff:3.500A) removed outlier: 4.025A pdb=" N VAL g 100 " --> pdb=" O ALA g 96 " (cutoff:3.500A) removed outlier: 4.014A pdb=" N GLY g 101 " --> pdb=" O LYS g 97 " (cutoff:3.500A) removed outlier: 4.173A pdb=" N ILE g 113 " --> pdb=" O LEU g 109 " (cutoff:3.500A) removed outlier: 3.668A pdb=" N LEU g 118 " --> pdb=" O ALA g 114 " (cutoff:3.500A) removed outlier: 3.567A pdb=" N VAL g 120 " --> pdb=" O PHE g 116 " (cutoff:3.500A) Processing helix chain 'h' and resid 54 through 93 removed outlier: 3.628A pdb=" N MET h 61 " --> pdb=" O ALA h 57 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N VAL h 62 " --> pdb=" O ALA h 58 " (cutoff:3.500A) removed outlier: 3.752A pdb=" N THR h 68 " --> pdb=" O ALA h 64 " (cutoff:3.500A) removed outlier: 4.205A pdb=" N ILE h 69 " --> pdb=" O GLY h 65 " (cutoff:3.500A) removed outlier: 4.894A pdb=" N ALA h 70 " --> pdb=" O CYS h 66 " (cutoff:3.500A) removed outlier: 5.481A pdb=" N LEU h 71 " --> pdb=" O ALA h 67 " (cutoff:3.500A) removed outlier: 4.382A pdb=" N ALA h 72 " --> pdb=" O THR h 68 " (cutoff:3.500A) removed outlier: 4.400A pdb=" N GLY h 73 " --> pdb=" O ILE h 69 " (cutoff:3.500A) removed outlier: 3.677A pdb=" N VAL h 74 " --> pdb=" O ALA h 70 " (cutoff:3.500A) removed outlier: 3.562A pdb=" N GLY h 79 " --> pdb=" O GLY h 75 " (cutoff:3.500A) removed outlier: 3.676A pdb=" N ILE h 86 " --> pdb=" O PHE h 82 " (cutoff:3.500A) removed outlier: 3.974A pdb=" N ARG h 91 " --> pdb=" O ASN h 87 " (cutoff:3.500A) removed outlier: 3.726A pdb=" N ASN h 92 " --> pdb=" O GLY h 88 " (cutoff:3.500A) Proline residue: h 93 - end of helix Processing helix chain 'h' and resid 94 through 126 removed outlier: 5.886A pdb=" N GLN h 98 " --> pdb=" O ASN h 94 " (cutoff:3.500A) removed outlier: 3.865A pdb=" N VAL h 100 " --> pdb=" O ALA h 96 " (cutoff:3.500A) removed outlier: 3.975A pdb=" N GLY h 101 " --> pdb=" O LYS h 97 " (cutoff:3.500A) removed outlier: 3.751A pdb=" N LEU h 105 " --> pdb=" O GLY h 101 " (cutoff:3.500A) removed outlier: 3.573A pdb=" N SER h 112 " --> pdb=" O ALA h 108 " (cutoff:3.500A) removed outlier: 4.666A pdb=" N ILE h 113 " --> pdb=" O LEU h 109 " (cutoff:3.500A) removed outlier: 3.670A pdb=" N ALA h 114 " --> pdb=" O THR h 110 " (cutoff:3.500A) removed outlier: 3.534A pdb=" N LEU h 119 " --> pdb=" O LEU h 115 " (cutoff:3.500A) Processing helix chain 'i' and resid 54 through 93 removed outlier: 4.021A pdb=" N MET i 61 " --> pdb=" O ALA i 57 " (cutoff:3.500A) removed outlier: 4.024A pdb=" N ILE i 69 " --> pdb=" O GLY i 65 " (cutoff:3.500A) removed outlier: 4.907A pdb=" N ALA i 70 " --> pdb=" O CYS i 66 " (cutoff:3.500A) removed outlier: 5.211A pdb=" N LEU i 71 " --> pdb=" O ALA i 67 " (cutoff:3.500A) removed outlier: 4.366A pdb=" N ALA i 72 " --> pdb=" O THR i 68 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N GLY i 73 " --> pdb=" O ILE i 69 " (cutoff:3.500A) removed outlier: 3.764A pdb=" N VAL i 74 " --> pdb=" O ALA i 70 " (cutoff:3.500A) removed outlier: 3.640A pdb=" N GLY i 79 " --> pdb=" O GLY i 75 " (cutoff:3.500A) removed outlier: 3.701A pdb=" N VAL i 80 " --> pdb=" O ALA i 76 " (cutoff:3.500A) removed outlier: 3.622A pdb=" N ILE i 86 " --> pdb=" O PHE i 82 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N ARG i 91 " --> pdb=" O ASN i 87 " (cutoff:3.500A) removed outlier: 3.736A pdb=" N ASN i 92 " --> pdb=" O GLY i 88 " (cutoff:3.500A) Proline residue: i 93 - end of helix Processing helix chain 'i' and resid 94 through 126 removed outlier: 5.596A pdb=" N GLN i 98 " --> pdb=" O ASN i 94 " (cutoff:3.500A) removed outlier: 3.670A pdb=" N VAL i 100 " --> pdb=" O ALA i 96 " (cutoff:3.500A) removed outlier: 4.207A pdb=" N GLY i 101 " --> pdb=" O LYS i 97 " (cutoff:3.500A) removed outlier: 3.762A pdb=" N LEU i 105 " --> pdb=" O GLY i 101 " (cutoff:3.500A) removed outlier: 4.211A pdb=" N ILE i 113 " --> pdb=" O LEU i 109 " (cutoff:3.500A) removed outlier: 3.683A pdb=" N VAL i 120 " --> pdb=" O PHE i 116 " (cutoff:3.500A) removed outlier: 3.831A pdb=" N PHE i 126 " --> pdb=" O PHE i 122 " (cutoff:3.500A) Processing helix chain 'j' and resid 54 through 93 removed outlier: 3.994A pdb=" N MET j 61 " --> pdb=" O ALA j 57 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N VAL j 62 " --> pdb=" O ALA j 58 " (cutoff:3.500A) removed outlier: 3.500A pdb=" N CYS j 66 " --> pdb=" O VAL j 62 " (cutoff:3.500A) removed outlier: 3.607A pdb=" N THR j 68 " --> pdb=" O ALA j 64 " (cutoff:3.500A) removed outlier: 4.160A pdb=" N ILE j 69 " --> pdb=" O GLY j 65 " (cutoff:3.500A) removed outlier: 4.670A pdb=" N ALA j 70 " --> pdb=" O CYS j 66 " (cutoff:3.500A) removed outlier: 5.164A pdb=" N LEU j 71 " --> pdb=" O ALA j 67 " (cutoff:3.500A) removed outlier: 4.441A pdb=" N ALA j 72 " --> pdb=" O THR j 68 " (cutoff:3.500A) removed outlier: 4.319A pdb=" N GLY j 73 " --> pdb=" O ILE j 69 " (cutoff:3.500A) removed outlier: 3.733A pdb=" N VAL j 74 " --> pdb=" O ALA j 70 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N VAL j 80 " --> pdb=" O ALA j 76 " (cutoff:3.500A) removed outlier: 3.819A pdb=" N ILE j 86 " --> pdb=" O PHE j 82 " (cutoff:3.500A) Proline residue: j 93 - end of helix Processing helix chain 'j' and resid 94 through 126 removed outlier: 6.046A pdb=" N GLN j 98 " --> pdb=" O ASN j 94 " (cutoff:3.500A) removed outlier: 4.154A pdb=" N VAL j 100 " --> pdb=" O ALA j 96 " (cutoff:3.500A) removed outlier: 4.209A pdb=" N LEU j 105 " --> pdb=" O GLY j 101 " (cutoff:3.500A) removed outlier: 3.533A pdb=" N SER j 112 " --> pdb=" O ALA j 108 " (cutoff:3.500A) removed outlier: 4.222A pdb=" N ILE j 113 " --> pdb=" O LEU j 109 " (cutoff:3.500A) removed outlier: 3.603A pdb=" N ALA j 114 " --> pdb=" O THR j 110 " (cutoff:3.500A) removed outlier: 3.514A pdb=" N PHE j 122 " --> pdb=" O LEU j 118 " (cutoff:3.500A) removed outlier: 3.746A pdb=" N LEU j 125 " --> pdb=" O VAL j 121 " (cutoff:3.500A) Processing helix chain 'k' and resid 54 through 93 removed outlier: 3.986A pdb=" N MET k 61 " --> pdb=" O ALA k 57 " (cutoff:3.500A) removed outlier: 3.856A pdb=" N ILE k 69 " --> pdb=" O GLY k 65 " (cutoff:3.500A) removed outlier: 5.112A pdb=" N ALA k 70 " --> pdb=" O CYS k 66 " (cutoff:3.500A) removed outlier: 5.577A pdb=" N LEU k 71 " --> pdb=" O ALA k 67 " (cutoff:3.500A) removed outlier: 4.717A pdb=" N ALA k 72 " --> pdb=" O THR k 68 " (cutoff:3.500A) removed outlier: 4.145A pdb=" N GLY k 73 " --> pdb=" O ILE k 69 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N GLY k 79 " --> pdb=" O GLY k 75 " (cutoff:3.500A) removed outlier: 3.714A pdb=" N ILE k 86 " --> pdb=" O PHE k 82 " (cutoff:3.500A) Proline residue: k 93 - end of helix Processing helix chain 'k' and resid 94 through 126 removed outlier: 6.165A pdb=" N GLN k 98 " --> pdb=" O ASN k 94 " (cutoff:3.500A) removed outlier: 4.254A pdb=" N VAL k 100 " --> pdb=" O ALA k 96 " (cutoff:3.500A) removed outlier: 3.703A pdb=" N GLY k 101 " --> pdb=" O LYS k 97 " (cutoff:3.500A) removed outlier: 4.105A pdb=" N LEU k 105 " --> pdb=" O GLY k 101 " (cutoff:3.500A) removed outlier: 4.616A pdb=" N ILE k 113 " --> pdb=" O LEU k 109 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N PHE k 122 " --> pdb=" O LEU k 118 " (cutoff:3.500A) removed outlier: 3.739A pdb=" N ILE k 124 " --> pdb=" O VAL k 120 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N LEU k 125 " --> pdb=" O VAL k 121 " (cutoff:3.500A) Processing helix chain 'l' and resid 54 through 93 removed outlier: 3.958A pdb=" N MET l 61 " --> pdb=" O ALA l 57 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N ILE l 69 " --> pdb=" O GLY l 65 " (cutoff:3.500A) removed outlier: 5.061A pdb=" N ALA l 70 " --> pdb=" O CYS l 66 " (cutoff:3.500A) removed outlier: 5.310A pdb=" N LEU l 71 " --> pdb=" O ALA l 67 " (cutoff:3.500A) removed outlier: 4.677A pdb=" N ALA l 72 " --> pdb=" O THR l 68 " (cutoff:3.500A) removed outlier: 4.283A pdb=" N GLY l 73 " --> pdb=" O ILE l 69 " (cutoff:3.500A) removed outlier: 3.583A pdb=" N VAL l 74 " --> pdb=" O ALA l 70 " (cutoff:3.500A) removed outlier: 3.724A pdb=" N GLY l 79 " --> pdb=" O GLY l 75 " (cutoff:3.500A) removed outlier: 3.591A pdb=" N VAL l 80 " --> pdb=" O ALA l 76 " (cutoff:3.500A) removed outlier: 3.913A pdb=" N ILE l 86 " --> pdb=" O PHE l 82 " (cutoff:3.500A) removed outlier: 3.897A pdb=" N ASN l 92 " --> pdb=" O GLY l 88 " (cutoff:3.500A) Proline residue: l 93 - end of helix Processing helix chain 'l' and resid 94 through 126 removed outlier: 5.844A pdb=" N GLN l 98 " --> pdb=" O ASN l 94 " (cutoff:3.500A) removed outlier: 3.894A pdb=" N VAL l 100 " --> pdb=" O ALA l 96 " (cutoff:3.500A) removed outlier: 3.640A pdb=" N LEU l 105 " --> pdb=" O GLY l 101 " (cutoff:3.500A) removed outlier: 4.171A pdb=" N ILE l 113 " --> pdb=" O LEU l 109 " (cutoff:3.500A) removed outlier: 3.526A pdb=" N ALA l 114 " --> pdb=" O THR l 110 " (cutoff:3.500A) removed outlier: 3.523A pdb=" N PHE l 116 " --> pdb=" O SER l 112 " (cutoff:3.500A) removed outlier: 3.517A pdb=" N PHE l 122 " --> pdb=" O LEU l 118 " (cutoff:3.500A) removed outlier: 3.798A pdb=" N LEU l 125 " --> pdb=" O VAL l 121 " (cutoff:3.500A) Processing helix chain 'm' and resid 54 through 93 removed outlier: 3.786A pdb=" N MET m 61 " --> pdb=" O ALA m 57 " (cutoff:3.500A) removed outlier: 3.647A pdb=" N THR m 68 " --> pdb=" O ALA m 64 " (cutoff:3.500A) removed outlier: 4.035A pdb=" N ILE m 69 " --> pdb=" O GLY m 65 " (cutoff:3.500A) removed outlier: 5.129A pdb=" N ALA m 70 " --> pdb=" O CYS m 66 " (cutoff:3.500A) removed outlier: 5.324A pdb=" N LEU m 71 " --> pdb=" O ALA m 67 " (cutoff:3.500A) removed outlier: 4.602A pdb=" N ALA m 72 " --> pdb=" O THR m 68 " (cutoff:3.500A) removed outlier: 4.518A pdb=" N GLY m 73 " --> pdb=" O ILE m 69 " (cutoff:3.500A) removed outlier: 3.543A pdb=" N VAL m 74 " --> pdb=" O ALA m 70 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N LEU m 85 " --> pdb=" O MET m 81 " (cutoff:3.500A) removed outlier: 3.869A pdb=" N ILE m 86 " --> pdb=" O PHE m 82 " (cutoff:3.500A) removed outlier: 3.585A pdb=" N ASN m 92 " --> pdb=" O GLY m 88 " (cutoff:3.500A) Proline residue: m 93 - end of helix Processing helix chain 'm' and resid 94 through 126 removed outlier: 5.738A pdb=" N GLN m 98 " --> pdb=" O ASN m 94 " (cutoff:3.500A) removed outlier: 4.092A pdb=" N VAL m 100 " --> pdb=" O ALA m 96 " (cutoff:3.500A) removed outlier: 4.046A pdb=" N GLY m 101 " --> pdb=" O LYS m 97 " (cutoff:3.500A) removed outlier: 4.532A pdb=" N ILE m 113 " --> pdb=" O LEU m 109 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N VAL m 120 " --> pdb=" O PHE m 116 " (cutoff:3.500A) Processing helix chain 'n' and resid 54 through 93 removed outlier: 4.072A pdb=" N MET n 61 " --> pdb=" O ALA n 57 " (cutoff:3.500A) removed outlier: 3.771A pdb=" N THR n 68 " --> pdb=" O ALA n 64 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N ILE n 69 " --> pdb=" O GLY n 65 " (cutoff:3.500A) removed outlier: 5.837A pdb=" N ALA n 70 " --> pdb=" O CYS n 66 " (cutoff:3.500A) removed outlier: 5.468A pdb=" N LEU n 71 " --> pdb=" O ALA n 67 " (cutoff:3.500A) removed outlier: 4.603A pdb=" N ALA n 72 " --> pdb=" O THR n 68 " (cutoff:3.500A) removed outlier: 4.310A pdb=" N GLY n 73 " --> pdb=" O ILE n 69 " (cutoff:3.500A) removed outlier: 3.582A pdb=" N VAL n 74 " --> pdb=" O ALA n 70 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ILE n 86 " --> pdb=" O PHE n 82 " (cutoff:3.500A) removed outlier: 3.517A pdb=" N ASN n 92 " --> pdb=" O GLY n 88 " (cutoff:3.500A) Proline residue: n 93 - end of helix Processing helix chain 'n' and resid 94 through 126 removed outlier: 5.628A pdb=" N GLN n 98 " --> pdb=" O ASN n 94 " (cutoff:3.500A) removed outlier: 4.140A pdb=" N VAL n 100 " --> pdb=" O ALA n 96 " (cutoff:3.500A) removed outlier: 3.799A pdb=" N GLY n 101 " --> pdb=" O LYS n 97 " (cutoff:3.500A) removed outlier: 3.668A pdb=" N SER n 112 " --> pdb=" O ALA n 108 " (cutoff:3.500A) removed outlier: 4.413A pdb=" N ILE n 113 " --> pdb=" O LEU n 109 " (cutoff:3.500A) removed outlier: 3.544A pdb=" N ALA n 114 " --> pdb=" O THR n 110 " (cutoff:3.500A) removed outlier: 4.209A pdb=" N VAL n 120 " --> pdb=" O PHE n 116 " (cutoff:3.500A) removed outlier: 3.640A pdb=" N LEU n 125 " --> pdb=" O VAL n 121 " (cutoff:3.500A) Processing helix chain 'o' and resid 54 through 93 removed outlier: 3.817A pdb=" N MET o 61 " --> pdb=" O ALA o 57 " (cutoff:3.500A) removed outlier: 3.665A pdb=" N VAL o 62 " --> pdb=" O ALA o 58 " (cutoff:3.500A) removed outlier: 3.562A pdb=" N THR o 68 " --> pdb=" O ALA o 64 " (cutoff:3.500A) removed outlier: 4.132A pdb=" N ILE o 69 " --> pdb=" O GLY o 65 " (cutoff:3.500A) removed outlier: 4.934A pdb=" N ALA o 70 " --> pdb=" O CYS o 66 " (cutoff:3.500A) removed outlier: 5.346A pdb=" N LEU o 71 " --> pdb=" O ALA o 67 " (cutoff:3.500A) removed outlier: 4.563A pdb=" N ALA o 72 " --> pdb=" O THR o 68 " (cutoff:3.500A) removed outlier: 4.370A pdb=" N GLY o 73 " --> pdb=" O ILE o 69 " (cutoff:3.500A) removed outlier: 3.872A pdb=" N GLY o 79 " --> pdb=" O GLY o 75 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ILE o 86 " --> pdb=" O PHE o 82 " (cutoff:3.500A) removed outlier: 3.525A pdb=" N ASN o 92 " --> pdb=" O GLY o 88 " (cutoff:3.500A) Proline residue: o 93 - end of helix Processing helix chain 'o' and resid 94 through 126 removed outlier: 6.082A pdb=" N GLN o 98 " --> pdb=" O ASN o 94 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N VAL o 100 " --> pdb=" O ALA o 96 " (cutoff:3.500A) removed outlier: 3.742A pdb=" N GLY o 101 " --> pdb=" O LYS o 97 " (cutoff:3.500A) removed outlier: 3.504A pdb=" N SER o 112 " --> pdb=" O ALA o 108 " (cutoff:3.500A) removed outlier: 4.166A pdb=" N ILE o 113 " --> pdb=" O LEU o 109 " (cutoff:3.500A) removed outlier: 3.696A pdb=" N PHE o 126 " --> pdb=" O PHE o 122 " (cutoff:3.500A) Processing helix chain 'M' and resid 104 through 122 removed outlier: 3.546A pdb=" N GLN M 120 " --> pdb=" O PHE M 116 " (cutoff:3.500A) removed outlier: 4.409A pdb=" N ASN M 121 " --> pdb=" O TRP M 117 " (cutoff:3.500A) Proline residue: M 122 - end of helix Processing helix chain 'M' and resid 131 through 146 Proline residue: M 136 - end of helix removed outlier: 5.730A pdb=" N ALA M 146 " --> pdb=" O SER M 142 " (cutoff:3.500A) Processing helix chain 'M' and resid 147 through 169 removed outlier: 3.697A pdb=" N THR M 153 " --> pdb=" O GLY M 149 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N SER M 161 " --> pdb=" O CYS M 157 " (cutoff:3.500A) removed outlier: 3.526A pdb=" N CYS M 162 " --> pdb=" O THR M 158 " (cutoff:3.500A) removed outlier: 3.808A pdb=" N GLY M 166 " --> pdb=" O CYS M 162 " (cutoff:3.500A) removed outlier: 4.161A pdb=" N LEU M 167 " --> pdb=" O ASN M 163 " (cutoff:3.500A) removed outlier: 3.537A pdb=" N MET M 168 " --> pdb=" O LEU M 164 " (cutoff:3.500A) Proline residue: M 169 - end of helix Processing helix chain 'M' and resid 177 through 201 removed outlier: 3.579A pdb=" N SER M 187 " --> pdb=" O GLY M 183 " (cutoff:3.500A) removed outlier: 4.662A pdb=" N THR M 200 " --> pdb=" O GLY M 196 " (cutoff:3.500A) removed outlier: 4.081A pdb=" N GLY M 201 " --> pdb=" O LEU M 197 " (cutoff:3.500A) Processing helix chain 'M' and resid 221 through 264 removed outlier: 3.590A pdb=" N SER M 228 " --> pdb=" O LEU M 224 " (cutoff:3.500A) removed outlier: 3.997A pdb=" N ARG M 232 " --> pdb=" O SER M 228 " (cutoff:3.500A) removed outlier: 4.158A pdb=" N ALA M 233 " --> pdb=" O TYR M 229 " (cutoff:3.500A) removed outlier: 4.075A pdb=" N VAL M 234 " --> pdb=" O THR M 230 " (cutoff:3.500A) removed outlier: 3.835A pdb=" N GLY M 237 " --> pdb=" O ALA M 233 " (cutoff:3.500A) removed outlier: 3.985A pdb=" N LEU M 240 " --> pdb=" O LEU M 236 " (cutoff:3.500A) removed outlier: 3.877A pdb=" N HIS M 248 " --> pdb=" O MET M 244 " (cutoff:3.500A) removed outlier: 3.915A pdb=" N LEU M 261 " --> pdb=" O MET M 257 " (cutoff:3.500A) Proline residue: M 262 - end of helix Processing helix chain 'M' and resid 270 through 312 removed outlier: 4.073A pdb=" N THR M 274 " --> pdb=" O MET M 270 " (cutoff:3.500A) removed outlier: 3.916A pdb=" N GLY M 276 " --> pdb=" O PRO M 272 " (cutoff:3.500A) removed outlier: 3.995A pdb=" N VAL M 277 " --> pdb=" O ALA M 273 " (cutoff:3.500A) removed outlier: 3.529A pdb=" N LEU M 280 " --> pdb=" O GLY M 276 " (cutoff:3.500A) removed outlier: 3.540A pdb=" N LEU M 290 " --> pdb=" O GLY M 286 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N VAL M 293 " --> pdb=" O TYR M 289 " (cutoff:3.500A) removed outlier: 3.706A pdb=" N SER M 296 " --> pdb=" O ALA M 292 " (cutoff:3.500A) removed outlier: 3.597A pdb=" N SER M 300 " --> pdb=" O SER M 296 " (cutoff:3.500A) removed outlier: 4.414A pdb=" N PHE M 310 " --> pdb=" O TYR M 306 " (cutoff:3.500A) removed outlier: 3.662A pdb=" N ASN M 311 " --> pdb=" O VAL M 307 " (cutoff:3.500A) removed outlier: 5.356A pdb=" N HIS M 312 " --> pdb=" O GLY M 308 " (cutoff:3.500A) Processing helix chain 'p' and resid 104 through 122 removed outlier: 3.546A pdb=" N GLN p 120 " --> pdb=" O PHE p 116 " (cutoff:3.500A) removed outlier: 4.409A pdb=" N ASN p 121 " --> pdb=" O TRP p 117 " (cutoff:3.500A) Proline residue: p 122 - end of helix Processing helix chain 'p' and resid 131 through 146 Proline residue: p 136 - end of helix removed outlier: 5.730A pdb=" N ALA p 146 " --> pdb=" O SER p 142 " (cutoff:3.500A) Processing helix chain 'p' and resid 147 through 169 removed outlier: 3.697A pdb=" N THR p 153 " --> pdb=" O GLY p 149 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N SER p 161 " --> pdb=" O CYS p 157 " (cutoff:3.500A) removed outlier: 3.526A pdb=" N CYS p 162 " --> pdb=" O THR p 158 " (cutoff:3.500A) removed outlier: 3.808A pdb=" N GLY p 166 " --> pdb=" O CYS p 162 " (cutoff:3.500A) removed outlier: 4.161A pdb=" N LEU p 167 " --> pdb=" O ASN p 163 " (cutoff:3.500A) removed outlier: 3.537A pdb=" N MET p 168 " --> pdb=" O LEU p 164 " (cutoff:3.500A) Proline residue: p 169 - end of helix Processing helix chain 'p' and resid 177 through 201 removed outlier: 3.579A pdb=" N SER p 187 " --> pdb=" O GLY p 183 " (cutoff:3.500A) removed outlier: 4.662A pdb=" N THR p 200 " --> pdb=" O GLY p 196 " (cutoff:3.500A) removed outlier: 4.081A pdb=" N GLY p 201 " --> pdb=" O LEU p 197 " (cutoff:3.500A) Processing helix chain 'p' and resid 221 through 264 removed outlier: 3.590A pdb=" N SER p 228 " --> pdb=" O LEU p 224 " (cutoff:3.500A) removed outlier: 3.997A pdb=" N ARG p 232 " --> pdb=" O SER p 228 " (cutoff:3.500A) removed outlier: 4.158A pdb=" N ALA p 233 " --> pdb=" O TYR p 229 " (cutoff:3.500A) removed outlier: 4.075A pdb=" N VAL p 234 " --> pdb=" O THR p 230 " (cutoff:3.500A) removed outlier: 3.835A pdb=" N GLY p 237 " --> pdb=" O ALA p 233 " (cutoff:3.500A) removed outlier: 3.985A pdb=" N LEU p 240 " --> pdb=" O LEU p 236 " (cutoff:3.500A) removed outlier: 3.877A pdb=" N HIS p 248 " --> pdb=" O MET p 244 " (cutoff:3.500A) removed outlier: 3.915A pdb=" N LEU p 261 " --> pdb=" O MET p 257 " (cutoff:3.500A) Proline residue: p 262 - end of helix Processing helix chain 'p' and resid 270 through 312 removed outlier: 4.073A pdb=" N THR p 274 " --> pdb=" O MET p 270 " (cutoff:3.500A) removed outlier: 3.916A pdb=" N GLY p 276 " --> pdb=" O PRO p 272 " (cutoff:3.500A) removed outlier: 3.995A pdb=" N VAL p 277 " --> pdb=" O ALA p 273 " (cutoff:3.500A) removed outlier: 3.529A pdb=" N LEU p 280 " --> pdb=" O GLY p 276 " (cutoff:3.500A) removed outlier: 3.540A pdb=" N LEU p 290 " --> pdb=" O GLY p 286 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N VAL p 293 " --> pdb=" O TYR p 289 " (cutoff:3.500A) removed outlier: 3.706A pdb=" N SER p 296 " --> pdb=" O ALA p 292 " (cutoff:3.500A) removed outlier: 3.597A pdb=" N SER p 300 " --> pdb=" O SER p 296 " (cutoff:3.500A) removed outlier: 4.414A pdb=" N PHE p 310 " --> pdb=" O TYR p 306 " (cutoff:3.500A) removed outlier: 3.662A pdb=" N ASN p 311 " --> pdb=" O VAL p 307 " (cutoff:3.500A) removed outlier: 5.356A pdb=" N HIS p 312 " --> pdb=" O GLY p 308 " (cutoff:3.500A) Processing helix chain 'P' and resid 49 through 65 removed outlier: 5.068A pdb=" N ILE P 53 " --> pdb=" O THR P 49 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N THR P 55 " --> pdb=" O ALA P 51 " (cutoff:3.500A) removed outlier: 3.501A pdb=" N GLU P 64 " --> pdb=" O VAL P 60 " (cutoff:3.500A) Processing helix chain 'P' and resid 66 through 84 removed outlier: 3.996A pdb=" N GLN P 71 " --> pdb=" O LEU P 67 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N LYS P 82 " --> pdb=" O ILE P 78 " (cutoff:3.500A) Processing helix chain 'P' and resid 85 through 93 removed outlier: 3.810A pdb=" N LEU P 90 " --> pdb=" O GLU P 86 " (cutoff:3.500A) removed outlier: 4.158A pdb=" N ALA P 91 " --> pdb=" O LEU P 87 " (cutoff:3.500A) Processing helix chain 'P' and resid 97 through 110 removed outlier: 3.702A pdb=" N ILE P 105 " --> pdb=" O ARG P 101 " (cutoff:3.500A) Processing helix chain 'P' and resid 115 through 129 removed outlier: 3.617A pdb=" N GLU P 123 " --> pdb=" O LYS P 119 " (cutoff:3.500A) removed outlier: 3.570A pdb=" N GLU P 128 " --> pdb=" O ALA P 124 " (cutoff:3.500A) Processing helix chain 'P' and resid 133 through 150 removed outlier: 3.566A pdb=" N HIS P 148 " --> pdb=" O LEU P 144 " (cutoff:3.500A) removed outlier: 3.574A pdb=" N LYS P 149 " --> pdb=" O MET P 145 " (cutoff:3.500A) removed outlier: 4.297A pdb=" N LYS P 150 " --> pdb=" O LEU P 146 " (cutoff:3.500A) Processing helix chain 'P' and resid 163 through 179 removed outlier: 3.595A pdb=" N VAL P 168 " --> pdb=" O LYS P 164 " (cutoff:3.500A) removed outlier: 3.622A pdb=" N LEU P 170 " --> pdb=" O GLU P 166 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N LYS P 172 " --> pdb=" O VAL P 168 " (cutoff:3.500A) removed outlier: 4.421A pdb=" N LYS P 176 " --> pdb=" O LYS P 172 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N PHE P 177 " --> pdb=" O LYS P 173 " (cutoff:3.500A) removed outlier: 3.754A pdb=" N VAL P 178 " --> pdb=" O ALA P 174 " (cutoff:3.500A) removed outlier: 5.587A pdb=" N ASP P 179 " --> pdb=" O GLU P 175 " (cutoff:3.500A) Processing helix chain 'P' and resid 210 through 229 removed outlier: 3.768A pdb=" N GLU P 216 " --> pdb=" O ALA P 212 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N PHE P 221 " --> pdb=" O GLU P 217 " (cutoff:3.500A) removed outlier: 3.635A pdb=" N VAL P 226 " --> pdb=" O VAL P 222 " (cutoff:3.500A) removed outlier: 4.337A pdb=" N LEU P 227 " --> pdb=" O ASN P 223 " (cutoff:3.500A) Processing helix chain 'q' and resid 49 through 65 removed outlier: 5.068A pdb=" N ILE q 53 " --> pdb=" O THR q 49 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N THR q 55 " --> pdb=" O ALA q 51 " (cutoff:3.500A) removed outlier: 3.501A pdb=" N GLU q 64 " --> pdb=" O VAL q 60 " (cutoff:3.500A) Processing helix chain 'q' and resid 66 through 84 removed outlier: 3.996A pdb=" N GLN q 71 " --> pdb=" O LEU q 67 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N LYS q 82 " --> pdb=" O ILE q 78 " (cutoff:3.500A) Processing helix chain 'q' and resid 85 through 93 removed outlier: 3.810A pdb=" N LEU q 90 " --> pdb=" O GLU q 86 " (cutoff:3.500A) removed outlier: 4.158A pdb=" N ALA q 91 " --> pdb=" O LEU q 87 " (cutoff:3.500A) Processing helix chain 'q' and resid 97 through 110 removed outlier: 3.702A pdb=" N ILE q 105 " --> pdb=" O ARG q 101 " (cutoff:3.500A) Processing helix chain 'q' and resid 115 through 129 removed outlier: 3.617A pdb=" N GLU q 123 " --> pdb=" O LYS q 119 " (cutoff:3.500A) removed outlier: 3.570A pdb=" N GLU q 128 " --> pdb=" O ALA q 124 " (cutoff:3.500A) Processing helix chain 'q' and resid 133 through 150 removed outlier: 3.566A pdb=" N HIS q 148 " --> pdb=" O LEU q 144 " (cutoff:3.500A) removed outlier: 3.574A pdb=" N LYS q 149 " --> pdb=" O MET q 145 " (cutoff:3.500A) removed outlier: 4.297A pdb=" N LYS q 150 " --> pdb=" O LEU q 146 " (cutoff:3.500A) Processing helix chain 'q' and resid 163 through 179 removed outlier: 3.595A pdb=" N VAL q 168 " --> pdb=" O LYS q 164 " (cutoff:3.500A) removed outlier: 3.622A pdb=" N LEU q 170 " --> pdb=" O GLU q 166 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N LYS q 172 " --> pdb=" O VAL q 168 " (cutoff:3.500A) removed outlier: 4.421A pdb=" N LYS q 176 " --> pdb=" O LYS q 172 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N PHE q 177 " --> pdb=" O LYS q 173 " (cutoff:3.500A) removed outlier: 3.754A pdb=" N VAL q 178 " --> pdb=" O ALA q 174 " (cutoff:3.500A) removed outlier: 5.587A pdb=" N ASP q 179 " --> pdb=" O GLU q 175 " (cutoff:3.500A) Processing helix chain 'q' and resid 210 through 229 removed outlier: 3.768A pdb=" N GLU q 216 " --> pdb=" O ALA q 212 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N PHE q 221 " --> pdb=" O GLU q 217 " (cutoff:3.500A) removed outlier: 3.635A pdb=" N VAL q 226 " --> pdb=" O VAL q 222 " (cutoff:3.500A) removed outlier: 4.337A pdb=" N LEU q 227 " --> pdb=" O ASN q 223 " (cutoff:3.500A) Processing helix chain 'Q' and resid 7 through 13 removed outlier: 3.738A pdb=" N ALA Q 12 " --> pdb=" O PHE Q 8 " (cutoff:3.500A) removed outlier: 3.519A pdb=" N GLY Q 13 " --> pdb=" O TYR Q 9 " (cutoff:3.500A) Processing helix chain 'Q' and resid 15 through 32 removed outlier: 3.503A pdb=" N LEU Q 27 " --> pdb=" O CYS Q 23 " (cutoff:3.500A) removed outlier: 4.055A pdb=" N VAL Q 30 " --> pdb=" O LEU Q 26 " (cutoff:3.500A) removed outlier: 3.676A pdb=" N LEU Q 31 " --> pdb=" O LEU Q 27 " (cutoff:3.500A) removed outlier: 6.099A pdb=" N LYS Q 32 " --> pdb=" O ARG Q 28 " (cutoff:3.500A) Processing helix chain 'Q' and resid 33 through 44 removed outlier: 3.872A pdb=" N ALA Q 37 " --> pdb=" O GLU Q 33 " (cutoff:3.500A) removed outlier: 5.154A pdb=" N LYS Q 38 " --> pdb=" O PRO Q 34 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N ARG Q 42 " --> pdb=" O LYS Q 38 " (cutoff:3.500A) removed outlier: 3.666A pdb=" N ALA Q 44 " --> pdb=" O GLN Q 40 " (cutoff:3.500A) Processing helix chain 'r' and resid 7 through 13 removed outlier: 3.738A pdb=" N ALA r 12 " --> pdb=" O PHE r 8 " (cutoff:3.500A) removed outlier: 3.519A pdb=" N GLY r 13 " --> pdb=" O TYR r 9 " (cutoff:3.500A) Processing helix chain 'r' and resid 15 through 32 removed outlier: 3.503A pdb=" N LEU r 27 " --> pdb=" O CYS r 23 " (cutoff:3.500A) removed outlier: 4.055A pdb=" N VAL r 30 " --> pdb=" O LEU r 26 " (cutoff:3.500A) removed outlier: 3.676A pdb=" N LEU r 31 " --> pdb=" O LEU r 27 " (cutoff:3.500A) removed outlier: 6.099A pdb=" N LYS r 32 " --> pdb=" O ARG r 28 " (cutoff:3.500A) Processing helix chain 'r' and resid 33 through 44 removed outlier: 3.872A pdb=" N ALA r 37 " --> pdb=" O GLU r 33 " (cutoff:3.500A) removed outlier: 5.154A pdb=" N LYS r 38 " --> pdb=" O PRO r 34 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N ARG r 42 " --> pdb=" O LYS r 38 " (cutoff:3.500A) removed outlier: 3.666A pdb=" N ALA r 44 " --> pdb=" O GLN r 40 " (cutoff:3.500A) Processing helix chain 'R' and resid 29 through 41 removed outlier: 3.915A pdb=" N GLU R 35 " --> pdb=" O LYS R 31 " (cutoff:3.500A) removed outlier: 4.386A pdb=" N LYS R 39 " --> pdb=" O GLU R 35 " (cutoff:3.500A) removed outlier: 3.701A pdb=" N LYS R 40 " --> pdb=" O VAL R 36 " (cutoff:3.500A) Processing helix chain 'R' and resid 50 through 56 removed outlier: 4.219A pdb=" N TYR R 54 " --> pdb=" O PHE R 50 " (cutoff:3.500A) removed outlier: 3.860A pdb=" N THR R 55 " --> pdb=" O PRO R 51 " (cutoff:3.500A) removed outlier: 5.662A pdb=" N ALA R 56 " --> pdb=" O SER R 52 " (cutoff:3.500A) No H-bonds generated for 'chain 'R' and resid 50 through 56' Processing helix chain 'R' and resid 151 through 156 removed outlier: 3.917A pdb=" N VAL R 155 " --> pdb=" O THR R 151 " (cutoff:3.500A) removed outlier: 5.738A pdb=" N ASP R 156 " --> pdb=" O LEU R 152 " (cutoff:3.500A) No H-bonds generated for 'chain 'R' and resid 151 through 156' Processing helix chain 'R' and resid 157 through 171 removed outlier: 4.966A pdb=" N LYS R 161 " --> pdb=" O PRO R 157 " (cutoff:3.500A) removed outlier: 3.664A pdb=" N SER R 162 " --> pdb=" O ALA R 158 " (cutoff:3.500A) removed outlier: 3.877A pdb=" N ALA R 166 " --> pdb=" O SER R 162 " (cutoff:3.500A) removed outlier: 5.542A pdb=" N GLN R 171 " --> pdb=" O ALA R 167 " (cutoff:3.500A) Processing helix chain 'R' and resid 175 through 198 removed outlier: 3.790A pdb=" N ALA R 179 " --> pdb=" O GLU R 175 " (cutoff:3.500A) removed outlier: 3.890A pdb=" N VAL R 195 " --> pdb=" O LEU R 191 " (cutoff:3.500A) removed outlier: 4.022A pdb=" N GLU R 196 " --> pdb=" O GLU R 192 " (cutoff:3.500A) removed outlier: 4.490A pdb=" N ALA R 197 " --> pdb=" O SER R 193 " (cutoff:3.500A) removed outlier: 6.234A pdb=" N LYS R 198 " --> pdb=" O ALA R 194 " (cutoff:3.500A) Processing helix chain 's' and resid 29 through 41 removed outlier: 3.915A pdb=" N GLU s 35 " --> pdb=" O LYS s 31 " (cutoff:3.500A) removed outlier: 4.386A pdb=" N LYS s 39 " --> pdb=" O GLU s 35 " (cutoff:3.500A) removed outlier: 3.701A pdb=" N LYS s 40 " --> pdb=" O VAL s 36 " (cutoff:3.500A) Processing helix chain 's' and resid 50 through 56 removed outlier: 4.219A pdb=" N TYR s 54 " --> pdb=" O PHE s 50 " (cutoff:3.500A) removed outlier: 3.860A pdb=" N THR s 55 " --> pdb=" O PRO s 51 " (cutoff:3.500A) removed outlier: 5.662A pdb=" N ALA s 56 " --> pdb=" O SER s 52 " (cutoff:3.500A) No H-bonds generated for 'chain 's' and resid 50 through 56' Processing helix chain 's' and resid 151 through 156 removed outlier: 3.917A pdb=" N VAL s 155 " --> pdb=" O THR s 151 " (cutoff:3.500A) removed outlier: 5.738A pdb=" N ASP s 156 " --> pdb=" O LEU s 152 " (cutoff:3.500A) No H-bonds generated for 'chain 's' and resid 151 through 156' Processing helix chain 's' and resid 157 through 171 removed outlier: 4.966A pdb=" N LYS s 161 " --> pdb=" O PRO s 157 " (cutoff:3.500A) removed outlier: 3.664A pdb=" N SER s 162 " --> pdb=" O ALA s 158 " (cutoff:3.500A) removed outlier: 3.877A pdb=" N ALA s 166 " --> pdb=" O SER s 162 " (cutoff:3.500A) removed outlier: 5.542A pdb=" N GLN s 171 " --> pdb=" O ALA s 167 " (cutoff:3.500A) Processing helix chain 's' and resid 175 through 198 removed outlier: 3.790A pdb=" N ALA s 179 " --> pdb=" O GLU s 175 " (cutoff:3.500A) removed outlier: 3.890A pdb=" N VAL s 195 " --> pdb=" O LEU s 191 " (cutoff:3.500A) removed outlier: 4.022A pdb=" N GLU s 196 " --> pdb=" O GLU s 192 " (cutoff:3.500A) removed outlier: 4.490A pdb=" N ALA s 197 " --> pdb=" O SER s 193 " (cutoff:3.500A) removed outlier: 6.234A pdb=" N LYS s 198 " --> pdb=" O ALA s 194 " (cutoff:3.500A) Processing helix chain 'S' and resid 39 through 79 removed outlier: 3.894A pdb=" N VAL S 43 " --> pdb=" O SER S 39 " (cutoff:3.500A) removed outlier: 3.920A pdb=" N LYS S 44 " --> pdb=" O ASN S 40 " (cutoff:3.500A) removed outlier: 3.538A pdb=" N ILE S 47 " --> pdb=" O VAL S 43 " (cutoff:3.500A) removed outlier: 3.895A pdb=" N LYS S 58 " --> pdb=" O GLY S 54 " (cutoff:3.500A) removed outlier: 3.529A pdb=" N MET S 62 " --> pdb=" O LYS S 58 " (cutoff:3.500A) removed outlier: 3.557A pdb=" N ALA S 71 " --> pdb=" O LYS S 67 " (cutoff:3.500A) removed outlier: 3.542A pdb=" N ILE S 73 " --> pdb=" O LYS S 69 " (cutoff:3.500A) removed outlier: 4.377A pdb=" N ALA S 74 " --> pdb=" O ASN S 70 " (cutoff:3.500A) removed outlier: 4.323A pdb=" N GLN S 77 " --> pdb=" O ILE S 73 " (cutoff:3.500A) removed outlier: 3.516A pdb=" N ARG S 79 " --> pdb=" O VAL S 75 " (cutoff:3.500A) Processing helix chain 'S' and resid 114 through 132 removed outlier: 3.519A pdb=" N ILE S 119 " --> pdb=" O LEU S 115 " (cutoff:3.500A) removed outlier: 3.635A pdb=" N THR S 120 " --> pdb=" O ASN S 116 " (cutoff:3.500A) removed outlier: 3.655A pdb=" N ARG S 124 " --> pdb=" O THR S 120 " (cutoff:3.500A) removed outlier: 3.819A pdb=" N THR S 129 " --> pdb=" O ALA S 125 " (cutoff:3.500A) removed outlier: 4.572A pdb=" N GLU S 131 " --> pdb=" O LEU S 127 " (cutoff:3.500A) removed outlier: 5.716A pdb=" N SER S 132 " --> pdb=" O ALA S 128 " (cutoff:3.500A) Processing helix chain 'S' and resid 143 through 154 removed outlier: 4.155A pdb=" N ARG S 147 " --> pdb=" O GLY S 143 " (cutoff:3.500A) removed outlier: 4.351A pdb=" N SER S 148 " --> pdb=" O ASP S 144 " (cutoff:3.500A) removed outlier: 4.258A pdb=" N GLN S 149 " --> pdb=" O LYS S 145 " (cutoff:3.500A) removed outlier: 3.813A pdb=" N THR S 151 " --> pdb=" O ARG S 147 " (cutoff:3.500A) removed outlier: 4.869A pdb=" N ARG S 152 " --> pdb=" O SER S 148 " (cutoff:3.500A) removed outlier: 4.074A pdb=" N ILE S 153 " --> pdb=" O GLN S 149 " (cutoff:3.500A) Processing helix chain 'S' and resid 164 through 169 removed outlier: 5.456A pdb=" N VAL S 168 " --> pdb=" O ASP S 164 " (cutoff:3.500A) removed outlier: 4.608A pdb=" N ARG S 169 " --> pdb=" O THR S 165 " (cutoff:3.500A) No H-bonds generated for 'chain 'S' and resid 164 through 169' Processing helix chain 'S' and resid 171 through 186 removed outlier: 4.451A pdb=" N HIS S 185 " --> pdb=" O GLU S 181 " (cutoff:3.500A) removed outlier: 5.002A pdb=" N ASN S 186 " --> pdb=" O LEU S 182 " (cutoff:3.500A) Processing helix chain 'S' and resid 216 through 223 removed outlier: 3.726A pdb=" N GLU S 221 " --> pdb=" O GLU S 217 " (cutoff:3.500A) removed outlier: 6.506A pdb=" N VAL S 223 " --> pdb=" O GLN S 219 " (cutoff:3.500A) Processing helix chain 'S' and resid 238 through 315 removed outlier: 3.700A pdb=" N ARG S 244 " --> pdb=" O SER S 240 " (cutoff:3.500A) removed outlier: 3.743A pdb=" N GLU S 248 " --> pdb=" O ARG S 244 " (cutoff:3.500A) removed outlier: 3.907A pdb=" N ASN S 263 " --> pdb=" O MET S 259 " (cutoff:3.500A) removed outlier: 3.569A pdb=" N ALA S 268 " --> pdb=" O CYS S 264 " (cutoff:3.500A) removed outlier: 3.665A pdb=" N SER S 272 " --> pdb=" O ALA S 268 " (cutoff:3.500A) removed outlier: 3.683A pdb=" N THR S 278 " --> pdb=" O MET S 274 " (cutoff:3.500A) removed outlier: 3.879A pdb=" N LEU S 285 " --> pdb=" O ALA S 281 " (cutoff:3.500A) removed outlier: 3.840A pdb=" N LEU S 314 " --> pdb=" O GLY S 310 " (cutoff:3.500A) Processing helix chain 'S' and resid 85 through 90 removed outlier: 3.950A pdb=" N GLY S 90 " --> pdb=" O PHE S 85 " (cutoff:3.500A) No H-bonds generated for 'chain 'S' and resid 85 through 90' Processing helix chain 't' and resid 39 through 79 removed outlier: 3.894A pdb=" N VAL t 43 " --> pdb=" O SER t 39 " (cutoff:3.500A) removed outlier: 3.920A pdb=" N LYS t 44 " --> pdb=" O ASN t 40 " (cutoff:3.500A) removed outlier: 3.538A pdb=" N ILE t 47 " --> pdb=" O VAL t 43 " (cutoff:3.500A) removed outlier: 3.895A pdb=" N LYS t 58 " --> pdb=" O GLY t 54 " (cutoff:3.500A) removed outlier: 3.529A pdb=" N MET t 62 " --> pdb=" O LYS t 58 " (cutoff:3.500A) removed outlier: 3.557A pdb=" N ALA t 71 " --> pdb=" O LYS t 67 " (cutoff:3.500A) removed outlier: 3.542A pdb=" N ILE t 73 " --> pdb=" O LYS t 69 " (cutoff:3.500A) removed outlier: 4.377A pdb=" N ALA t 74 " --> pdb=" O ASN t 70 " (cutoff:3.500A) removed outlier: 4.323A pdb=" N GLN t 77 " --> pdb=" O ILE t 73 " (cutoff:3.500A) removed outlier: 3.516A pdb=" N ARG t 79 " --> pdb=" O VAL t 75 " (cutoff:3.500A) Processing helix chain 't' and resid 114 through 132 removed outlier: 3.519A pdb=" N ILE t 119 " --> pdb=" O LEU t 115 " (cutoff:3.500A) removed outlier: 3.635A pdb=" N THR t 120 " --> pdb=" O ASN t 116 " (cutoff:3.500A) removed outlier: 3.655A pdb=" N ARG t 124 " --> pdb=" O THR t 120 " (cutoff:3.500A) removed outlier: 3.819A pdb=" N THR t 129 " --> pdb=" O ALA t 125 " (cutoff:3.500A) removed outlier: 4.572A pdb=" N GLU t 131 " --> pdb=" O LEU t 127 " (cutoff:3.500A) removed outlier: 5.716A pdb=" N SER t 132 " --> pdb=" O ALA t 128 " (cutoff:3.500A) Processing helix chain 't' and resid 143 through 154 removed outlier: 4.155A pdb=" N ARG t 147 " --> pdb=" O GLY t 143 " (cutoff:3.500A) removed outlier: 4.351A pdb=" N SER t 148 " --> pdb=" O ASP t 144 " (cutoff:3.500A) removed outlier: 4.258A pdb=" N GLN t 149 " --> pdb=" O LYS t 145 " (cutoff:3.500A) removed outlier: 3.813A pdb=" N THR t 151 " --> pdb=" O ARG t 147 " (cutoff:3.500A) removed outlier: 4.869A pdb=" N ARG t 152 " --> pdb=" O SER t 148 " (cutoff:3.500A) removed outlier: 4.074A pdb=" N ILE t 153 " --> pdb=" O GLN t 149 " (cutoff:3.500A) Processing helix chain 't' and resid 164 through 169 removed outlier: 5.456A pdb=" N VAL t 168 " --> pdb=" O ASP t 164 " (cutoff:3.500A) removed outlier: 4.608A pdb=" N ARG t 169 " --> pdb=" O THR t 165 " (cutoff:3.500A) No H-bonds generated for 'chain 't' and resid 164 through 169' Processing helix chain 't' and resid 171 through 186 removed outlier: 4.451A pdb=" N HIS t 185 " --> pdb=" O GLU t 181 " (cutoff:3.500A) removed outlier: 5.002A pdb=" N ASN t 186 " --> pdb=" O LEU t 182 " (cutoff:3.500A) Processing helix chain 't' and resid 216 through 223 removed outlier: 3.726A pdb=" N GLU t 221 " --> pdb=" O GLU t 217 " (cutoff:3.500A) removed outlier: 6.506A pdb=" N VAL t 223 " --> pdb=" O GLN t 219 " (cutoff:3.500A) Processing helix chain 't' and resid 238 through 315 removed outlier: 3.700A pdb=" N ARG t 244 " --> pdb=" O SER t 240 " (cutoff:3.500A) removed outlier: 3.743A pdb=" N GLU t 248 " --> pdb=" O ARG t 244 " (cutoff:3.500A) removed outlier: 3.907A pdb=" N ASN t 263 " --> pdb=" O MET t 259 " (cutoff:3.500A) removed outlier: 3.569A pdb=" N ALA t 268 " --> pdb=" O CYS t 264 " (cutoff:3.500A) removed outlier: 3.665A pdb=" N SER t 272 " --> pdb=" O ALA t 268 " (cutoff:3.500A) removed outlier: 3.683A pdb=" N THR t 278 " --> pdb=" O MET t 274 " (cutoff:3.500A) removed outlier: 3.879A pdb=" N LEU t 285 " --> pdb=" O ALA t 281 " (cutoff:3.500A) removed outlier: 3.840A pdb=" N LEU t 314 " --> pdb=" O GLY t 310 " (cutoff:3.500A) Processing helix chain 't' and resid 85 through 90 removed outlier: 3.950A pdb=" N GLY t 90 " --> pdb=" O PHE t 85 " (cutoff:3.500A) No H-bonds generated for 'chain 't' and resid 85 through 90' Processing helix chain 'T' and resid 44 through 50 removed outlier: 4.493A pdb=" N LEU T 48 " --> pdb=" O ALA T 44 " (cutoff:3.500A) removed outlier: 4.773A pdb=" N LYS T 50 " --> pdb=" O ASP T 46 " (cutoff:3.500A) Processing helix chain 'T' and resid 55 through 77 removed outlier: 5.185A pdb=" N ILE T 59 " --> pdb=" O SER T 55 " (cutoff:3.500A) removed outlier: 3.770A pdb=" N LEU T 66 " --> pdb=" O VAL T 62 " (cutoff:3.500A) removed outlier: 3.676A pdb=" N ILE T 67 " --> pdb=" O SER T 63 " (cutoff:3.500A) Proline residue: T 68 - end of helix removed outlier: 4.094A pdb=" N GLU T 72 " --> pdb=" O PRO T 68 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N TYR T 77 " --> pdb=" O TRP T 73 " (cutoff:3.500A) Processing helix chain 'T' and resid 191 through 196 removed outlier: 3.661A pdb=" N ARG T 195 " --> pdb=" O GLY T 191 " (cutoff:3.500A) removed outlier: 5.713A pdb=" N GLN T 196 " --> pdb=" O ILE T 192 " (cutoff:3.500A) No H-bonds generated for 'chain 'T' and resid 191 through 196' Processing helix chain 'T' and resid 206 through 212 removed outlier: 3.580A pdb=" N LEU T 212 " --> pdb=" O ALA T 208 " (cutoff:3.500A) Processing helix chain 'T' and resid 230 through 249 removed outlier: 3.576A pdb=" N LYS T 243 " --> pdb=" O ILE T 239 " (cutoff:3.500A) removed outlier: 3.574A pdb=" N GLU T 247 " --> pdb=" O LYS T 243 " (cutoff:3.500A) removed outlier: 4.413A pdb=" N GLN T 248 " --> pdb=" O ASN T 244 " (cutoff:3.500A) Processing helix chain 'T' and resid 265 through 280 Processing helix chain 'T' and resid 295 through 315 Proline residue: T 303 - end of helix removed outlier: 3.601A pdb=" N TYR T 312 " --> pdb=" O ALA T 308 " (cutoff:3.500A) removed outlier: 4.378A pdb=" N PHE T 313 " --> pdb=" O MET T 309 " (cutoff:3.500A) removed outlier: 3.537A pdb=" N ARG T 314 " --> pdb=" O ALA T 310 " (cutoff:3.500A) Processing helix chain 'T' and resid 326 through 342 removed outlier: 3.542A pdb=" N VAL T 332 " --> pdb=" O SER T 328 " (cutoff:3.500A) Processing helix chain 'T' and resid 353 through 365 removed outlier: 3.668A pdb=" N HIS T 358 " --> pdb=" O VAL T 354 " (cutoff:3.500A) removed outlier: 3.969A pdb=" N LEU T 361 " --> pdb=" O LEU T 357 " (cutoff:3.500A) removed outlier: 4.167A pdb=" N ARG T 364 " --> pdb=" O ARG T 360 " (cutoff:3.500A) removed outlier: 4.420A pdb=" N ALA T 365 " --> pdb=" O LEU T 361 " (cutoff:3.500A) Processing helix chain 'T' and resid 392 through 403 removed outlier: 5.710A pdb=" N ASP T 403 " --> pdb=" O ILE T 399 " (cutoff:3.500A) Processing helix chain 'T' and resid 409 through 416 removed outlier: 3.794A pdb=" N GLY T 416 " --> pdb=" O LEU T 412 " (cutoff:3.500A) Processing helix chain 'T' and resid 431 through 436 removed outlier: 4.623A pdb=" N GLN T 435 " --> pdb=" O GLY T 431 " (cutoff:3.500A) removed outlier: 6.115A pdb=" N PHE T 436 " --> pdb=" O SER T 432 " (cutoff:3.500A) No H-bonds generated for 'chain 'T' and resid 431 through 436' Processing helix chain 'T' and resid 440 through 461 removed outlier: 3.998A pdb=" N GLY T 444 " --> pdb=" O LYS T 440 " (cutoff:3.500A) removed outlier: 4.805A pdb=" N THR T 445 " --> pdb=" O GLN T 441 " (cutoff:3.500A) removed outlier: 4.438A pdb=" N GLU T 455 " --> pdb=" O ALA T 451 " (cutoff:3.500A) removed outlier: 4.012A pdb=" N VAL T 456 " --> pdb=" O GLN T 452 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N ALA T 460 " --> pdb=" O VAL T 456 " (cutoff:3.500A) Processing helix chain 'T' and resid 467 through 485 removed outlier: 6.081A pdb=" N GLN T 471 " --> pdb=" O ASP T 467 " (cutoff:3.500A) removed outlier: 4.958A pdb=" N TYR T 472 " --> pdb=" O ALA T 468 " (cutoff:3.500A) removed outlier: 4.150A pdb=" N VAL T 473 " --> pdb=" O ALA T 469 " (cutoff:3.500A) removed outlier: 3.700A pdb=" N ALA T 478 " --> pdb=" O LEU T 474 " (cutoff:3.500A) removed outlier: 3.755A pdb=" N LYS T 485 " --> pdb=" O THR T 481 " (cutoff:3.500A) Processing helix chain 'T' and resid 493 through 506 Processing helix chain 'T' and resid 513 through 527 removed outlier: 3.566A pdb=" N ILE T 517 " --> pdb=" O ARG T 513 " (cutoff:3.500A) removed outlier: 5.539A pdb=" N VAL T 518 " --> pdb=" O VAL T 514 " (cutoff:3.500A) removed outlier: 5.561A pdb=" N ALA T 519 " --> pdb=" O GLN T 515 " (cutoff:3.500A) removed outlier: 3.733A pdb=" N GLU T 522 " --> pdb=" O VAL T 518 " (cutoff:3.500A) removed outlier: 3.579A pdb=" N ALA T 523 " --> pdb=" O ALA T 519 " (cutoff:3.500A) Processing helix chain 'T' and resid 529 through 540 removed outlier: 3.941A pdb=" N PHE T 533 " --> pdb=" O ASN T 529 " (cutoff:3.500A) removed outlier: 4.280A pdb=" N LYS T 534 " --> pdb=" O PRO T 530 " (cutoff:3.500A) removed outlier: 3.636A pdb=" N ILE T 535 " --> pdb=" O ALA T 531 " (cutoff:3.500A) Processing helix chain 'T' and resid 543 through 557 removed outlier: 4.218A pdb=" N ALA T 548 " --> pdb=" O PRO T 544 " (cutoff:3.500A) removed outlier: 4.570A pdb=" N HIS T 549 " --> pdb=" O ALA T 545 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N GLU T 553 " --> pdb=" O HIS T 549 " (cutoff:3.500A) removed outlier: 3.856A pdb=" N ARG T 555 " --> pdb=" O LYS T 551 " (cutoff:3.500A) removed outlier: 4.328A pdb=" N LYS T 556 " --> pdb=" O ALA T 552 " (cutoff:3.500A) removed outlier: 4.844A pdb=" N VAL T 557 " --> pdb=" O GLU T 553 " (cutoff:3.500A) Processing helix chain 'u' and resid 44 through 50 removed outlier: 4.493A pdb=" N LEU u 48 " --> pdb=" O ALA u 44 " (cutoff:3.500A) removed outlier: 4.773A pdb=" N LYS u 50 " --> pdb=" O ASP u 46 " (cutoff:3.500A) Processing helix chain 'u' and resid 55 through 77 removed outlier: 5.185A pdb=" N ILE u 59 " --> pdb=" O SER u 55 " (cutoff:3.500A) removed outlier: 3.770A pdb=" N LEU u 66 " --> pdb=" O VAL u 62 " (cutoff:3.500A) removed outlier: 3.676A pdb=" N ILE u 67 " --> pdb=" O SER u 63 " (cutoff:3.500A) Proline residue: u 68 - end of helix removed outlier: 4.094A pdb=" N GLU u 72 " --> pdb=" O PRO u 68 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N TYR u 77 " --> pdb=" O TRP u 73 " (cutoff:3.500A) Processing helix chain 'u' and resid 191 through 196 removed outlier: 3.661A pdb=" N ARG u 195 " --> pdb=" O GLY u 191 " (cutoff:3.500A) removed outlier: 5.713A pdb=" N GLN u 196 " --> pdb=" O ILE u 192 " (cutoff:3.500A) No H-bonds generated for 'chain 'u' and resid 191 through 196' Processing helix chain 'u' and resid 206 through 212 removed outlier: 3.580A pdb=" N LEU u 212 " --> pdb=" O ALA u 208 " (cutoff:3.500A) Processing helix chain 'u' and resid 230 through 249 removed outlier: 3.576A pdb=" N LYS u 243 " --> pdb=" O ILE u 239 " (cutoff:3.500A) removed outlier: 3.574A pdb=" N GLU u 247 " --> pdb=" O LYS u 243 " (cutoff:3.500A) removed outlier: 4.413A pdb=" N GLN u 248 " --> pdb=" O ASN u 244 " (cutoff:3.500A) Processing helix chain 'u' and resid 265 through 280 Processing helix chain 'u' and resid 295 through 315 Proline residue: u 303 - end of helix removed outlier: 3.601A pdb=" N TYR u 312 " --> pdb=" O ALA u 308 " (cutoff:3.500A) removed outlier: 4.378A pdb=" N PHE u 313 " --> pdb=" O MET u 309 " (cutoff:3.500A) removed outlier: 3.537A pdb=" N ARG u 314 " --> pdb=" O ALA u 310 " (cutoff:3.500A) Processing helix chain 'u' and resid 326 through 342 removed outlier: 3.542A pdb=" N VAL u 332 " --> pdb=" O SER u 328 " (cutoff:3.500A) Processing helix chain 'u' and resid 353 through 365 removed outlier: 3.668A pdb=" N HIS u 358 " --> pdb=" O VAL u 354 " (cutoff:3.500A) removed outlier: 3.969A pdb=" N LEU u 361 " --> pdb=" O LEU u 357 " (cutoff:3.500A) removed outlier: 4.167A pdb=" N ARG u 364 " --> pdb=" O ARG u 360 " (cutoff:3.500A) removed outlier: 4.420A pdb=" N ALA u 365 " --> pdb=" O LEU u 361 " (cutoff:3.500A) Processing helix chain 'u' and resid 392 through 403 removed outlier: 5.710A pdb=" N ASP u 403 " --> pdb=" O ILE u 399 " (cutoff:3.500A) Processing helix chain 'u' and resid 409 through 416 removed outlier: 3.794A pdb=" N GLY u 416 " --> pdb=" O LEU u 412 " (cutoff:3.500A) Processing helix chain 'u' and resid 431 through 436 removed outlier: 4.623A pdb=" N GLN u 435 " --> pdb=" O GLY u 431 " (cutoff:3.500A) removed outlier: 6.115A pdb=" N PHE u 436 " --> pdb=" O SER u 432 " (cutoff:3.500A) No H-bonds generated for 'chain 'u' and resid 431 through 436' Processing helix chain 'u' and resid 440 through 461 removed outlier: 3.998A pdb=" N GLY u 444 " --> pdb=" O LYS u 440 " (cutoff:3.500A) removed outlier: 4.805A pdb=" N THR u 445 " --> pdb=" O GLN u 441 " (cutoff:3.500A) removed outlier: 4.438A pdb=" N GLU u 455 " --> pdb=" O ALA u 451 " (cutoff:3.500A) removed outlier: 4.012A pdb=" N VAL u 456 " --> pdb=" O GLN u 452 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N ALA u 460 " --> pdb=" O VAL u 456 " (cutoff:3.500A) Processing helix chain 'u' and resid 467 through 485 removed outlier: 6.081A pdb=" N GLN u 471 " --> pdb=" O ASP u 467 " (cutoff:3.500A) removed outlier: 4.958A pdb=" N TYR u 472 " --> pdb=" O ALA u 468 " (cutoff:3.500A) removed outlier: 4.150A pdb=" N VAL u 473 " --> pdb=" O ALA u 469 " (cutoff:3.500A) removed outlier: 3.700A pdb=" N ALA u 478 " --> pdb=" O LEU u 474 " (cutoff:3.500A) removed outlier: 3.755A pdb=" N LYS u 485 " --> pdb=" O THR u 481 " (cutoff:3.500A) Processing helix chain 'u' and resid 493 through 506 Processing helix chain 'u' and resid 513 through 527 removed outlier: 3.566A pdb=" N ILE u 517 " --> pdb=" O ARG u 513 " (cutoff:3.500A) removed outlier: 5.539A pdb=" N VAL u 518 " --> pdb=" O VAL u 514 " (cutoff:3.500A) removed outlier: 5.561A pdb=" N ALA u 519 " --> pdb=" O GLN u 515 " (cutoff:3.500A) removed outlier: 3.733A pdb=" N GLU u 522 " --> pdb=" O VAL u 518 " (cutoff:3.500A) removed outlier: 3.579A pdb=" N ALA u 523 " --> pdb=" O ALA u 519 " (cutoff:3.500A) Processing helix chain 'u' and resid 529 through 540 removed outlier: 3.941A pdb=" N PHE u 533 " --> pdb=" O ASN u 529 " (cutoff:3.500A) removed outlier: 4.280A pdb=" N LYS u 534 " --> pdb=" O PRO u 530 " (cutoff:3.500A) removed outlier: 3.636A pdb=" N ILE u 535 " --> pdb=" O ALA u 531 " (cutoff:3.500A) Processing helix chain 'u' and resid 543 through 557 removed outlier: 4.218A pdb=" N ALA u 548 " --> pdb=" O PRO u 544 " (cutoff:3.500A) removed outlier: 4.570A pdb=" N HIS u 549 " --> pdb=" O ALA u 545 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N GLU u 553 " --> pdb=" O HIS u 549 " (cutoff:3.500A) removed outlier: 3.856A pdb=" N ARG u 555 " --> pdb=" O LYS u 551 " (cutoff:3.500A) removed outlier: 4.328A pdb=" N LYS u 556 " --> pdb=" O ALA u 552 " (cutoff:3.500A) removed outlier: 4.844A pdb=" N VAL u 557 " --> pdb=" O GLU u 553 " (cutoff:3.500A) Processing helix chain 'U' and resid 41 through 51 removed outlier: 3.785A pdb=" N GLU U 47 " --> pdb=" O LYS U 43 " (cutoff:3.500A) removed outlier: 4.329A pdb=" N LEU U 48 " --> pdb=" O ALA U 44 " (cutoff:3.500A) removed outlier: 4.196A pdb=" N ARG U 49 " --> pdb=" O LEU U 45 " (cutoff:3.500A) removed outlier: 4.570A pdb=" N LYS U 50 " --> pdb=" O ASP U 46 " (cutoff:3.500A) Proline residue: U 51 - end of helix Processing helix chain 'U' and resid 59 through 74 removed outlier: 3.989A pdb=" N GLN U 64 " --> pdb=" O GLN U 60 " (cutoff:3.500A) removed outlier: 3.581A pdb=" N LYS U 65 " --> pdb=" O HIS U 61 " (cutoff:3.500A) removed outlier: 5.103A pdb=" N ILE U 67 " --> pdb=" O SER U 63 " (cutoff:3.500A) Proline residue: U 68 - end of helix removed outlier: 3.657A pdb=" N GLU U 72 " --> pdb=" O PRO U 68 " (cutoff:3.500A) removed outlier: 3.835A pdb=" N TRP U 73 " --> pdb=" O ALA U 69 " (cutoff:3.500A) removed outlier: 3.855A pdb=" N GLU U 74 " --> pdb=" O VAL U 70 " (cutoff:3.500A) Processing helix chain 'U' and resid 134 through 139 removed outlier: 4.767A pdb=" N ILE U 138 " --> pdb=" O ASN U 134 " (cutoff:3.500A) removed outlier: 5.604A pdb=" N HIS U 139 " --> pdb=" O ASP U 135 " (cutoff:3.500A) No H-bonds generated for 'chain 'U' and resid 134 through 139' Processing helix chain 'U' and resid 191 through 196 removed outlier: 3.877A pdb=" N ARG U 195 " --> pdb=" O GLY U 191 " (cutoff:3.500A) removed outlier: 5.501A pdb=" N GLN U 196 " --> pdb=" O ILE U 192 " (cutoff:3.500A) No H-bonds generated for 'chain 'U' and resid 191 through 196' Processing helix chain 'U' and resid 206 through 212 Processing helix chain 'U' and resid 230 through 249 removed outlier: 3.583A pdb=" N ALA U 235 " --> pdb=" O LYS U 231 " (cutoff:3.500A) removed outlier: 3.522A pdb=" N LYS U 243 " --> pdb=" O ILE U 239 " (cutoff:3.500A) removed outlier: 4.015A pdb=" N GLU U 247 " --> pdb=" O LYS U 243 " (cutoff:3.500A) removed outlier: 4.537A pdb=" N GLN U 248 " --> pdb=" O ASN U 244 " (cutoff:3.500A) Processing helix chain 'U' and resid 265 through 280 Processing helix chain 'U' and resid 295 through 315 Proline residue: U 303 - end of helix removed outlier: 3.600A pdb=" N TYR U 312 " --> pdb=" O ALA U 308 " (cutoff:3.500A) removed outlier: 4.438A pdb=" N PHE U 313 " --> pdb=" O MET U 309 " (cutoff:3.500A) Processing helix chain 'U' and resid 326 through 342 removed outlier: 3.539A pdb=" N GLN U 330 " --> pdb=" O ASP U 326 " (cutoff:3.500A) removed outlier: 3.631A pdb=" N VAL U 332 " --> pdb=" O SER U 328 " (cutoff:3.500A) Processing helix chain 'U' and resid 353 through 366 removed outlier: 3.647A pdb=" N HIS U 358 " --> pdb=" O VAL U 354 " (cutoff:3.500A) removed outlier: 3.896A pdb=" N LEU U 361 " --> pdb=" O LEU U 357 " (cutoff:3.500A) removed outlier: 4.388A pdb=" N ARG U 364 " --> pdb=" O ARG U 360 " (cutoff:3.500A) removed outlier: 4.360A pdb=" N ALA U 365 " --> pdb=" O LEU U 361 " (cutoff:3.500A) removed outlier: 5.547A pdb=" N ALA U 366 " --> pdb=" O LEU U 362 " (cutoff:3.500A) Processing helix chain 'U' and resid 392 through 402 Processing helix chain 'U' and resid 409 through 416 removed outlier: 3.645A pdb=" N GLY U 416 " --> pdb=" O LEU U 412 " (cutoff:3.500A) Processing helix chain 'U' and resid 428 through 435 removed outlier: 5.508A pdb=" N ALA U 433 " --> pdb=" O ARG U 429 " (cutoff:3.500A) removed outlier: 4.781A pdb=" N ALA U 434 " --> pdb=" O VAL U 430 " (cutoff:3.500A) Processing helix chain 'U' and resid 437 through 461 removed outlier: 3.565A pdb=" N VAL U 442 " --> pdb=" O GLY U 438 " (cutoff:3.500A) removed outlier: 3.821A pdb=" N GLY U 444 " --> pdb=" O LYS U 440 " (cutoff:3.500A) removed outlier: 4.580A pdb=" N THR U 445 " --> pdb=" O GLN U 441 " (cutoff:3.500A) removed outlier: 3.614A pdb=" N PHE U 459 " --> pdb=" O GLU U 455 " (cutoff:3.500A) removed outlier: 3.518A pdb=" N ALA U 460 " --> pdb=" O VAL U 456 " (cutoff:3.500A) removed outlier: 4.252A pdb=" N GLN U 461 " --> pdb=" O ALA U 457 " (cutoff:3.500A) Processing helix chain 'U' and resid 467 through 486 removed outlier: 5.932A pdb=" N GLN U 486 " --> pdb=" O GLU U 482 " (cutoff:3.500A) Processing helix chain 'U' and resid 493 through 507 removed outlier: 3.520A pdb=" N ALA U 500 " --> pdb=" O ARG U 496 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ALA U 504 " --> pdb=" O ALA U 500 " (cutoff:3.500A) removed outlier: 3.653A pdb=" N LYS U 506 " --> pdb=" O TYR U 502 " (cutoff:3.500A) removed outlier: 5.254A pdb=" N GLY U 507 " --> pdb=" O ALA U 503 " (cutoff:3.500A) Processing helix chain 'U' and resid 513 through 527 removed outlier: 6.719A pdb=" N ILE U 517 " --> pdb=" O ARG U 513 " (cutoff:3.500A) removed outlier: 5.283A pdb=" N VAL U 518 " --> pdb=" O VAL U 514 " (cutoff:3.500A) removed outlier: 5.157A pdb=" N ALA U 519 " --> pdb=" O GLN U 515 " (cutoff:3.500A) removed outlier: 3.939A pdb=" N GLU U 522 " --> pdb=" O VAL U 518 " (cutoff:3.500A) removed outlier: 3.700A pdb=" N GLN U 527 " --> pdb=" O ALA U 523 " (cutoff:3.500A) Processing helix chain 'U' and resid 529 through 540 removed outlier: 4.213A pdb=" N PHE U 533 " --> pdb=" O ASN U 529 " (cutoff:3.500A) removed outlier: 3.852A pdb=" N LYS U 534 " --> pdb=" O PRO U 530 " (cutoff:3.500A) Processing helix chain 'U' and resid 543 through 558 removed outlier: 3.727A pdb=" N ALA U 548 " --> pdb=" O PRO U 544 " (cutoff:3.500A) removed outlier: 3.544A pdb=" N HIS U 549 " --> pdb=" O ALA U 545 " (cutoff:3.500A) removed outlier: 3.650A pdb=" N LYS U 556 " --> pdb=" O ALA U 552 " (cutoff:3.500A) removed outlier: 3.616A pdb=" N VAL U 557 " --> pdb=" O GLU U 553 " (cutoff:3.500A) removed outlier: 6.728A pdb=" N LYS U 558 " --> pdb=" O LEU U 554 " (cutoff:3.500A) Processing helix chain 'v' and resid 41 through 51 removed outlier: 3.785A pdb=" N GLU v 47 " --> pdb=" O LYS v 43 " (cutoff:3.500A) removed outlier: 4.329A pdb=" N LEU v 48 " --> pdb=" O ALA v 44 " (cutoff:3.500A) removed outlier: 4.196A pdb=" N ARG v 49 " --> pdb=" O LEU v 45 " (cutoff:3.500A) removed outlier: 4.570A pdb=" N LYS v 50 " --> pdb=" O ASP v 46 " (cutoff:3.500A) Proline residue: v 51 - end of helix Processing helix chain 'v' and resid 59 through 74 removed outlier: 3.989A pdb=" N GLN v 64 " --> pdb=" O GLN v 60 " (cutoff:3.500A) removed outlier: 3.581A pdb=" N LYS v 65 " --> pdb=" O HIS v 61 " (cutoff:3.500A) removed outlier: 5.103A pdb=" N ILE v 67 " --> pdb=" O SER v 63 " (cutoff:3.500A) Proline residue: v 68 - end of helix removed outlier: 3.657A pdb=" N GLU v 72 " --> pdb=" O PRO v 68 " (cutoff:3.500A) removed outlier: 3.835A pdb=" N TRP v 73 " --> pdb=" O ALA v 69 " (cutoff:3.500A) removed outlier: 3.855A pdb=" N GLU v 74 " --> pdb=" O VAL v 70 " (cutoff:3.500A) Processing helix chain 'v' and resid 134 through 139 removed outlier: 4.767A pdb=" N ILE v 138 " --> pdb=" O ASN v 134 " (cutoff:3.500A) removed outlier: 5.604A pdb=" N HIS v 139 " --> pdb=" O ASP v 135 " (cutoff:3.500A) No H-bonds generated for 'chain 'v' and resid 134 through 139' Processing helix chain 'v' and resid 191 through 196 removed outlier: 3.877A pdb=" N ARG v 195 " --> pdb=" O GLY v 191 " (cutoff:3.500A) removed outlier: 5.501A pdb=" N GLN v 196 " --> pdb=" O ILE v 192 " (cutoff:3.500A) No H-bonds generated for 'chain 'v' and resid 191 through 196' Processing helix chain 'v' and resid 206 through 212 Processing helix chain 'v' and resid 230 through 249 removed outlier: 3.583A pdb=" N ALA v 235 " --> pdb=" O LYS v 231 " (cutoff:3.500A) removed outlier: 3.522A pdb=" N LYS v 243 " --> pdb=" O ILE v 239 " (cutoff:3.500A) removed outlier: 4.015A pdb=" N GLU v 247 " --> pdb=" O LYS v 243 " (cutoff:3.500A) removed outlier: 4.537A pdb=" N GLN v 248 " --> pdb=" O ASN v 244 " (cutoff:3.500A) Processing helix chain 'v' and resid 265 through 280 Processing helix chain 'v' and resid 295 through 315 Proline residue: v 303 - end of helix removed outlier: 3.600A pdb=" N TYR v 312 " --> pdb=" O ALA v 308 " (cutoff:3.500A) removed outlier: 4.438A pdb=" N PHE v 313 " --> pdb=" O MET v 309 " (cutoff:3.500A) Processing helix chain 'v' and resid 326 through 342 removed outlier: 3.539A pdb=" N GLN v 330 " --> pdb=" O ASP v 326 " (cutoff:3.500A) removed outlier: 3.631A pdb=" N VAL v 332 " --> pdb=" O SER v 328 " (cutoff:3.500A) Processing helix chain 'v' and resid 353 through 366 removed outlier: 3.647A pdb=" N HIS v 358 " --> pdb=" O VAL v 354 " (cutoff:3.500A) removed outlier: 3.896A pdb=" N LEU v 361 " --> pdb=" O LEU v 357 " (cutoff:3.500A) removed outlier: 4.388A pdb=" N ARG v 364 " --> pdb=" O ARG v 360 " (cutoff:3.500A) removed outlier: 4.360A pdb=" N ALA v 365 " --> pdb=" O LEU v 361 " (cutoff:3.500A) removed outlier: 5.547A pdb=" N ALA v 366 " --> pdb=" O LEU v 362 " (cutoff:3.500A) Processing helix chain 'v' and resid 392 through 402 Processing helix chain 'v' and resid 409 through 416 removed outlier: 3.645A pdb=" N GLY v 416 " --> pdb=" O LEU v 412 " (cutoff:3.500A) Processing helix chain 'v' and resid 428 through 435 removed outlier: 5.508A pdb=" N ALA v 433 " --> pdb=" O ARG v 429 " (cutoff:3.500A) removed outlier: 4.781A pdb=" N ALA v 434 " --> pdb=" O VAL v 430 " (cutoff:3.500A) Processing helix chain 'v' and resid 437 through 461 removed outlier: 3.565A pdb=" N VAL v 442 " --> pdb=" O GLY v 438 " (cutoff:3.500A) removed outlier: 3.821A pdb=" N GLY v 444 " --> pdb=" O LYS v 440 " (cutoff:3.500A) removed outlier: 4.580A pdb=" N THR v 445 " --> pdb=" O GLN v 441 " (cutoff:3.500A) removed outlier: 3.614A pdb=" N PHE v 459 " --> pdb=" O GLU v 455 " (cutoff:3.500A) removed outlier: 3.518A pdb=" N ALA v 460 " --> pdb=" O VAL v 456 " (cutoff:3.500A) removed outlier: 4.252A pdb=" N GLN v 461 " --> pdb=" O ALA v 457 " (cutoff:3.500A) Processing helix chain 'v' and resid 467 through 486 removed outlier: 5.932A pdb=" N GLN v 486 " --> pdb=" O GLU v 482 " (cutoff:3.500A) Processing helix chain 'v' and resid 493 through 507 removed outlier: 3.520A pdb=" N ALA v 500 " --> pdb=" O ARG v 496 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ALA v 504 " --> pdb=" O ALA v 500 " (cutoff:3.500A) removed outlier: 3.653A pdb=" N LYS v 506 " --> pdb=" O TYR v 502 " (cutoff:3.500A) removed outlier: 5.254A pdb=" N GLY v 507 " --> pdb=" O ALA v 503 " (cutoff:3.500A) Processing helix chain 'v' and resid 513 through 527 removed outlier: 6.719A pdb=" N ILE v 517 " --> pdb=" O ARG v 513 " (cutoff:3.500A) removed outlier: 5.283A pdb=" N VAL v 518 " --> pdb=" O VAL v 514 " (cutoff:3.500A) removed outlier: 5.157A pdb=" N ALA v 519 " --> pdb=" O GLN v 515 " (cutoff:3.500A) removed outlier: 3.939A pdb=" N GLU v 522 " --> pdb=" O VAL v 518 " (cutoff:3.500A) removed outlier: 3.700A pdb=" N GLN v 527 " --> pdb=" O ALA v 523 " (cutoff:3.500A) Processing helix chain 'v' and resid 529 through 540 removed outlier: 4.213A pdb=" N PHE v 533 " --> pdb=" O ASN v 529 " (cutoff:3.500A) removed outlier: 3.852A pdb=" N LYS v 534 " --> pdb=" O PRO v 530 " (cutoff:3.500A) Processing helix chain 'v' and resid 543 through 558 removed outlier: 3.727A pdb=" N ALA v 548 " --> pdb=" O PRO v 544 " (cutoff:3.500A) removed outlier: 3.544A pdb=" N HIS v 549 " --> pdb=" O ALA v 545 " (cutoff:3.500A) removed outlier: 3.650A pdb=" N LYS v 556 " --> pdb=" O ALA v 552 " (cutoff:3.500A) removed outlier: 3.616A pdb=" N VAL v 557 " --> pdb=" O GLU v 553 " (cutoff:3.500A) removed outlier: 6.728A pdb=" N LYS v 558 " --> pdb=" O LEU v 554 " (cutoff:3.500A) Processing helix chain 'V' and resid 45 through 50 removed outlier: 4.057A pdb=" N ARG V 49 " --> pdb=" O LEU V 45 " (cutoff:3.500A) removed outlier: 5.192A pdb=" N LYS V 50 " --> pdb=" O ASP V 46 " (cutoff:3.500A) No H-bonds generated for 'chain 'V' and resid 45 through 50' Processing helix chain 'V' and resid 57 through 70 removed outlier: 3.769A pdb=" N HIS V 61 " --> pdb=" O TYR V 57 " (cutoff:3.500A) removed outlier: 3.950A pdb=" N GLN V 64 " --> pdb=" O GLN V 60 " (cutoff:3.500A) removed outlier: 3.584A pdb=" N LYS V 65 " --> pdb=" O HIS V 61 " (cutoff:3.500A) removed outlier: 3.602A pdb=" N ILE V 67 " --> pdb=" O SER V 63 " (cutoff:3.500A) Proline residue: V 68 - end of helix Processing helix chain 'V' and resid 191 through 196 removed outlier: 3.706A pdb=" N ARG V 195 " --> pdb=" O GLY V 191 " (cutoff:3.500A) removed outlier: 5.327A pdb=" N GLN V 196 " --> pdb=" O ILE V 192 " (cutoff:3.500A) No H-bonds generated for 'chain 'V' and resid 191 through 196' Processing helix chain 'V' and resid 206 through 212 Processing helix chain 'V' and resid 230 through 249 removed outlier: 3.888A pdb=" N GLU V 247 " --> pdb=" O LYS V 243 " (cutoff:3.500A) removed outlier: 4.161A pdb=" N GLN V 248 " --> pdb=" O ASN V 244 " (cutoff:3.500A) Processing helix chain 'V' and resid 250 through 255 removed outlier: 3.531A pdb=" N ARG V 254 " --> pdb=" O PRO V 250 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N VAL V 255 " --> pdb=" O LYS V 251 " (cutoff:3.500A) No H-bonds generated for 'chain 'V' and resid 250 through 255' Processing helix chain 'V' and resid 265 through 280 Processing helix chain 'V' and resid 295 through 315 Proline residue: V 303 - end of helix removed outlier: 3.523A pdb=" N TYR V 312 " --> pdb=" O ALA V 308 " (cutoff:3.500A) removed outlier: 4.539A pdb=" N PHE V 313 " --> pdb=" O MET V 309 " (cutoff:3.500A) removed outlier: 3.649A pdb=" N ARG V 314 " --> pdb=" O ALA V 310 " (cutoff:3.500A) Processing helix chain 'V' and resid 326 through 342 removed outlier: 3.589A pdb=" N GLN V 330 " --> pdb=" O ASP V 326 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N VAL V 332 " --> pdb=" O SER V 328 " (cutoff:3.500A) Processing helix chain 'V' and resid 353 through 365 removed outlier: 3.591A pdb=" N HIS V 358 " --> pdb=" O VAL V 354 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N LEU V 361 " --> pdb=" O LEU V 357 " (cutoff:3.500A) removed outlier: 4.174A pdb=" N ARG V 364 " --> pdb=" O ARG V 360 " (cutoff:3.500A) removed outlier: 4.438A pdb=" N ALA V 365 " --> pdb=" O LEU V 361 " (cutoff:3.500A) Processing helix chain 'V' and resid 392 through 403 removed outlier: 5.483A pdb=" N ASP V 403 " --> pdb=" O ILE V 399 " (cutoff:3.500A) Processing helix chain 'V' and resid 409 through 416 removed outlier: 3.567A pdb=" N TYR V 414 " --> pdb=" O THR V 410 " (cutoff:3.500A) removed outlier: 3.620A pdb=" N LYS V 415 " --> pdb=" O GLU V 411 " (cutoff:3.500A) removed outlier: 3.876A pdb=" N GLY V 416 " --> pdb=" O LEU V 412 " (cutoff:3.500A) Processing helix chain 'V' and resid 431 through 436 removed outlier: 4.390A pdb=" N GLN V 435 " --> pdb=" O GLY V 431 " (cutoff:3.500A) removed outlier: 6.029A pdb=" N PHE V 436 " --> pdb=" O SER V 432 " (cutoff:3.500A) No H-bonds generated for 'chain 'V' and resid 431 through 436' Processing helix chain 'V' and resid 437 through 455 removed outlier: 6.102A pdb=" N GLN V 441 " --> pdb=" O PRO V 437 " (cutoff:3.500A) removed outlier: 3.888A pdb=" N VAL V 442 " --> pdb=" O GLY V 438 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N GLY V 444 " --> pdb=" O LYS V 440 " (cutoff:3.500A) removed outlier: 4.841A pdb=" N THR V 445 " --> pdb=" O GLN V 441 " (cutoff:3.500A) removed outlier: 3.841A pdb=" N LEU V 448 " --> pdb=" O GLY V 444 " (cutoff:3.500A) removed outlier: 3.990A pdb=" N GLU V 455 " --> pdb=" O ALA V 451 " (cutoff:3.500A) Processing helix chain 'V' and resid 467 through 485 removed outlier: 5.296A pdb=" N GLN V 471 " --> pdb=" O ASP V 467 " (cutoff:3.500A) removed outlier: 4.367A pdb=" N TYR V 472 " --> pdb=" O ALA V 468 " (cutoff:3.500A) removed outlier: 3.544A pdb=" N VAL V 473 " --> pdb=" O ALA V 469 " (cutoff:3.500A) removed outlier: 3.507A pdb=" N GLU V 482 " --> pdb=" O ALA V 478 " (cutoff:3.500A) removed outlier: 3.765A pdb=" N LYS V 485 " --> pdb=" O THR V 481 " (cutoff:3.500A) Processing helix chain 'V' and resid 493 through 506 removed outlier: 3.737A pdb=" N ALA V 500 " --> pdb=" O ARG V 496 " (cutoff:3.500A) Processing helix chain 'V' and resid 516 through 528 removed outlier: 3.983A pdb=" N GLU V 522 " --> pdb=" O VAL V 518 " (cutoff:3.500A) removed outlier: 3.720A pdb=" N GLN V 527 " --> pdb=" O ALA V 523 " (cutoff:3.500A) removed outlier: 4.197A pdb=" N VAL V 528 " --> pdb=" O VAL V 524 " (cutoff:3.500A) Processing helix chain 'V' and resid 529 through 540 removed outlier: 4.435A pdb=" N PHE V 533 " --> pdb=" O ASN V 529 " (cutoff:3.500A) removed outlier: 3.624A pdb=" N LYS V 534 " --> pdb=" O PRO V 530 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N ILE V 535 " --> pdb=" O ALA V 531 " (cutoff:3.500A) Processing helix chain 'V' and resid 543 through 557 removed outlier: 3.794A pdb=" N HIS V 549 " --> pdb=" O ALA V 545 " (cutoff:3.500A) removed outlier: 3.818A pdb=" N ARG V 555 " --> pdb=" O LYS V 551 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N LYS V 556 " --> pdb=" O ALA V 552 " (cutoff:3.500A) removed outlier: 4.014A pdb=" N VAL V 557 " --> pdb=" O GLU V 553 " (cutoff:3.500A) Processing helix chain 'w' and resid 45 through 50 removed outlier: 4.057A pdb=" N ARG w 49 " --> pdb=" O LEU w 45 " (cutoff:3.500A) removed outlier: 5.192A pdb=" N LYS w 50 " --> pdb=" O ASP w 46 " (cutoff:3.500A) No H-bonds generated for 'chain 'w' and resid 45 through 50' Processing helix chain 'w' and resid 57 through 70 removed outlier: 3.769A pdb=" N HIS w 61 " --> pdb=" O TYR w 57 " (cutoff:3.500A) removed outlier: 3.950A pdb=" N GLN w 64 " --> pdb=" O GLN w 60 " (cutoff:3.500A) removed outlier: 3.584A pdb=" N LYS w 65 " --> pdb=" O HIS w 61 " (cutoff:3.500A) removed outlier: 3.602A pdb=" N ILE w 67 " --> pdb=" O SER w 63 " (cutoff:3.500A) Proline residue: w 68 - end of helix Processing helix chain 'w' and resid 191 through 196 removed outlier: 3.706A pdb=" N ARG w 195 " --> pdb=" O GLY w 191 " (cutoff:3.500A) removed outlier: 5.327A pdb=" N GLN w 196 " --> pdb=" O ILE w 192 " (cutoff:3.500A) No H-bonds generated for 'chain 'w' and resid 191 through 196' Processing helix chain 'w' and resid 206 through 212 Processing helix chain 'w' and resid 230 through 249 removed outlier: 3.888A pdb=" N GLU w 247 " --> pdb=" O LYS w 243 " (cutoff:3.500A) removed outlier: 4.161A pdb=" N GLN w 248 " --> pdb=" O ASN w 244 " (cutoff:3.500A) Processing helix chain 'w' and resid 250 through 255 removed outlier: 3.531A pdb=" N ARG w 254 " --> pdb=" O PRO w 250 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N VAL w 255 " --> pdb=" O LYS w 251 " (cutoff:3.500A) No H-bonds generated for 'chain 'w' and resid 250 through 255' Processing helix chain 'w' and resid 265 through 280 Processing helix chain 'w' and resid 295 through 315 Proline residue: w 303 - end of helix removed outlier: 3.523A pdb=" N TYR w 312 " --> pdb=" O ALA w 308 " (cutoff:3.500A) removed outlier: 4.539A pdb=" N PHE w 313 " --> pdb=" O MET w 309 " (cutoff:3.500A) removed outlier: 3.649A pdb=" N ARG w 314 " --> pdb=" O ALA w 310 " (cutoff:3.500A) Processing helix chain 'w' and resid 326 through 342 removed outlier: 3.589A pdb=" N GLN w 330 " --> pdb=" O ASP w 326 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N VAL w 332 " --> pdb=" O SER w 328 " (cutoff:3.500A) Processing helix chain 'w' and resid 353 through 365 removed outlier: 3.591A pdb=" N HIS w 358 " --> pdb=" O VAL w 354 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N LEU w 361 " --> pdb=" O LEU w 357 " (cutoff:3.500A) removed outlier: 4.174A pdb=" N ARG w 364 " --> pdb=" O ARG w 360 " (cutoff:3.500A) removed outlier: 4.438A pdb=" N ALA w 365 " --> pdb=" O LEU w 361 " (cutoff:3.500A) Processing helix chain 'w' and resid 392 through 403 removed outlier: 5.483A pdb=" N ASP w 403 " --> pdb=" O ILE w 399 " (cutoff:3.500A) Processing helix chain 'w' and resid 409 through 416 removed outlier: 3.567A pdb=" N TYR w 414 " --> pdb=" O THR w 410 " (cutoff:3.500A) removed outlier: 3.620A pdb=" N LYS w 415 " --> pdb=" O GLU w 411 " (cutoff:3.500A) removed outlier: 3.876A pdb=" N GLY w 416 " --> pdb=" O LEU w 412 " (cutoff:3.500A) Processing helix chain 'w' and resid 431 through 436 removed outlier: 4.390A pdb=" N GLN w 435 " --> pdb=" O GLY w 431 " (cutoff:3.500A) removed outlier: 6.029A pdb=" N PHE w 436 " --> pdb=" O SER w 432 " (cutoff:3.500A) No H-bonds generated for 'chain 'w' and resid 431 through 436' Processing helix chain 'w' and resid 437 through 455 removed outlier: 6.102A pdb=" N GLN w 441 " --> pdb=" O PRO w 437 " (cutoff:3.500A) removed outlier: 3.888A pdb=" N VAL w 442 " --> pdb=" O GLY w 438 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N GLY w 444 " --> pdb=" O LYS w 440 " (cutoff:3.500A) removed outlier: 4.841A pdb=" N THR w 445 " --> pdb=" O GLN w 441 " (cutoff:3.500A) removed outlier: 3.841A pdb=" N LEU w 448 " --> pdb=" O GLY w 444 " (cutoff:3.500A) removed outlier: 3.990A pdb=" N GLU w 455 " --> pdb=" O ALA w 451 " (cutoff:3.500A) Processing helix chain 'w' and resid 467 through 485 removed outlier: 5.296A pdb=" N GLN w 471 " --> pdb=" O ASP w 467 " (cutoff:3.500A) removed outlier: 4.367A pdb=" N TYR w 472 " --> pdb=" O ALA w 468 " (cutoff:3.500A) removed outlier: 3.544A pdb=" N VAL w 473 " --> pdb=" O ALA w 469 " (cutoff:3.500A) removed outlier: 3.507A pdb=" N GLU w 482 " --> pdb=" O ALA w 478 " (cutoff:3.500A) removed outlier: 3.765A pdb=" N LYS w 485 " --> pdb=" O THR w 481 " (cutoff:3.500A) Processing helix chain 'w' and resid 493 through 506 removed outlier: 3.737A pdb=" N ALA w 500 " --> pdb=" O ARG w 496 " (cutoff:3.500A) Processing helix chain 'w' and resid 516 through 528 removed outlier: 3.983A pdb=" N GLU w 522 " --> pdb=" O VAL w 518 " (cutoff:3.500A) removed outlier: 3.720A pdb=" N GLN w 527 " --> pdb=" O ALA w 523 " (cutoff:3.500A) removed outlier: 4.197A pdb=" N VAL w 528 " --> pdb=" O VAL w 524 " (cutoff:3.500A) Processing helix chain 'w' and resid 529 through 540 removed outlier: 4.435A pdb=" N PHE w 533 " --> pdb=" O ASN w 529 " (cutoff:3.500A) removed outlier: 3.624A pdb=" N LYS w 534 " --> pdb=" O PRO w 530 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N ILE w 535 " --> pdb=" O ALA w 531 " (cutoff:3.500A) Processing helix chain 'w' and resid 543 through 557 removed outlier: 3.794A pdb=" N HIS w 549 " --> pdb=" O ALA w 545 " (cutoff:3.500A) removed outlier: 3.818A pdb=" N ARG w 555 " --> pdb=" O LYS w 551 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N LYS w 556 " --> pdb=" O ALA w 552 " (cutoff:3.500A) removed outlier: 4.014A pdb=" N VAL w 557 " --> pdb=" O GLU w 553 " (cutoff:3.500A) Processing helix chain 'X' and resid 164 through 170 Processing helix chain 'X' and resid 188 through 205 removed outlier: 3.529A pdb=" N ILE X 193 " --> pdb=" O LYS X 189 " (cutoff:3.500A) removed outlier: 3.502A pdb=" N ALA X 201 " --> pdb=" O ILE X 197 " (cutoff:3.500A) removed outlier: 4.575A pdb=" N LYS X 202 " --> pdb=" O ASN X 198 " (cutoff:3.500A) removed outlier: 4.190A pdb=" N ALA X 203 " --> pdb=" O ASN X 199 " (cutoff:3.500A) removed outlier: 5.071A pdb=" N GLY X 205 " --> pdb=" O ALA X 201 " (cutoff:3.500A) Processing helix chain 'X' and resid 216 through 231 Processing helix chain 'X' and resid 254 through 274 removed outlier: 4.965A pdb=" N ALA X 262 " --> pdb=" O ARG X 258 " (cutoff:3.500A) removed outlier: 5.605A pdb=" N LEU X 263 " --> pdb=" O ALA X 259 " (cutoff:3.500A) removed outlier: 3.672A pdb=" N VAL X 268 " --> pdb=" O THR X 264 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N PHE X 272 " --> pdb=" O VAL X 268 " (cutoff:3.500A) Processing helix chain 'X' and resid 286 through 302 removed outlier: 4.230A pdb=" N PHE X 290 " --> pdb=" O ASN X 286 " (cutoff:3.500A) removed outlier: 3.771A pdb=" N THR X 291 " --> pdb=" O ILE X 287 " (cutoff:3.500A) removed outlier: 4.033A pdb=" N ALA X 299 " --> pdb=" O SER X 295 " (cutoff:3.500A) removed outlier: 4.558A pdb=" N LEU X 300 " --> pdb=" O GLU X 296 " (cutoff:3.500A) removed outlier: 3.926A pdb=" N GLY X 302 " --> pdb=" O SER X 298 " (cutoff:3.500A) Processing helix chain 'X' and resid 313 through 326 removed outlier: 3.549A pdb=" N LEU X 321 " --> pdb=" O ASP X 317 " (cutoff:3.500A) removed outlier: 4.307A pdb=" N ARG X 324 " --> pdb=" O GLY X 320 " (cutoff:3.500A) removed outlier: 3.808A pdb=" N ILE X 325 " --> pdb=" O LEU X 321 " (cutoff:3.500A) removed outlier: 4.809A pdb=" N THR X 326 " --> pdb=" O GLN X 322 " (cutoff:3.500A) Processing helix chain 'X' and resid 348 through 358 removed outlier: 3.654A pdb=" N THR X 354 " --> pdb=" O ALA X 350 " (cutoff:3.500A) removed outlier: 3.532A pdb=" N PHE X 355 " --> pdb=" O PRO X 351 " (cutoff:3.500A) removed outlier: 4.735A pdb=" N ALA X 356 " --> pdb=" O ALA X 352 " (cutoff:3.500A) removed outlier: 4.457A pdb=" N HIS X 357 " --> pdb=" O THR X 353 " (cutoff:3.500A) removed outlier: 3.977A pdb=" N LEU X 358 " --> pdb=" O THR X 354 " (cutoff:3.500A) Processing helix chain 'X' and resid 365 through 372 removed outlier: 3.558A pdb=" N ALA X 369 " --> pdb=" O SER X 365 " (cutoff:3.500A) removed outlier: 3.753A pdb=" N GLY X 372 " --> pdb=" O ILE X 368 " (cutoff:3.500A) Processing helix chain 'X' and resid 388 through 393 Processing helix chain 'X' and resid 394 through 420 removed outlier: 4.711A pdb=" N ASP X 415 " --> pdb=" O LYS X 411 " (cutoff:3.500A) removed outlier: 5.423A pdb=" N ILE X 416 " --> pdb=" O ASN X 412 " (cutoff:3.500A) Processing helix chain 'X' and resid 421 through 426 removed outlier: 4.580A pdb=" N LEU X 425 " --> pdb=" O GLY X 421 " (cutoff:3.500A) removed outlier: 6.005A pdb=" N SER X 426 " --> pdb=" O MET X 422 " (cutoff:3.500A) No H-bonds generated for 'chain 'X' and resid 421 through 426' Processing helix chain 'X' and resid 427 through 445 removed outlier: 4.087A pdb=" N SER X 444 " --> pdb=" O GLN X 440 " (cutoff:3.500A) removed outlier: 5.418A pdb=" N GLN X 445 " --> pdb=" O ARG X 441 " (cutoff:3.500A) Processing helix chain 'X' and resid 447 through 455 removed outlier: 5.593A pdb=" N VAL X 452 " --> pdb=" O GLN X 448 " (cutoff:3.500A) removed outlier: 5.442A pdb=" N PHE X 453 " --> pdb=" O VAL X 449 " (cutoff:3.500A) Processing helix chain 'X' and resid 462 through 476 Processing helix chain 'X' and resid 482 through 488 removed outlier: 4.239A pdb=" N PHE X 486 " --> pdb=" O PRO X 482 " (cutoff:3.500A) removed outlier: 4.314A pdb=" N TYR X 487 " --> pdb=" O GLU X 483 " (cutoff:3.500A) removed outlier: 6.167A pdb=" N MET X 488 " --> pdb=" O MET X 484 " (cutoff:3.500A) No H-bonds generated for 'chain 'X' and resid 482 through 488' Processing helix chain 'X' and resid 491 through 509 removed outlier: 3.803A pdb=" N LYS X 496 " --> pdb=" O ILE X 492 " (cutoff:3.500A) removed outlier: 3.571A pdb=" N LYS X 501 " --> pdb=" O GLU X 497 " (cutoff:3.500A) removed outlier: 3.758A pdb=" N ALA X 507 " --> pdb=" O ALA X 503 " (cutoff:3.500A) removed outlier: 4.190A pdb=" N ARG X 509 " --> pdb=" O ASP X 505 " (cutoff:3.500A) Processing helix chain 'X' and resid 526 through 534 removed outlier: 3.675A pdb=" N LEU X 530 " --> pdb=" O SER X 526 " (cutoff:3.500A) removed outlier: 3.647A pdb=" N VAL X 531 " --> pdb=" O LEU X 527 " (cutoff:3.500A) removed outlier: 3.879A pdb=" N SER X 532 " --> pdb=" O ASP X 528 " (cutoff:3.500A) removed outlier: 3.504A pdb=" N GLU X 533 " --> pdb=" O LYS X 529 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N ILE X 534 " --> pdb=" O LEU X 530 " (cutoff:3.500A) No H-bonds generated for 'chain 'X' and resid 526 through 534' Processing helix chain 'x' and resid 164 through 170 Processing helix chain 'x' and resid 188 through 205 removed outlier: 3.529A pdb=" N ILE x 193 " --> pdb=" O LYS x 189 " (cutoff:3.500A) removed outlier: 3.502A pdb=" N ALA x 201 " --> pdb=" O ILE x 197 " (cutoff:3.500A) removed outlier: 4.575A pdb=" N LYS x 202 " --> pdb=" O ASN x 198 " (cutoff:3.500A) removed outlier: 4.190A pdb=" N ALA x 203 " --> pdb=" O ASN x 199 " (cutoff:3.500A) removed outlier: 5.071A pdb=" N GLY x 205 " --> pdb=" O ALA x 201 " (cutoff:3.500A) Processing helix chain 'x' and resid 216 through 231 Processing helix chain 'x' and resid 254 through 274 removed outlier: 4.965A pdb=" N ALA x 262 " --> pdb=" O ARG x 258 " (cutoff:3.500A) removed outlier: 5.605A pdb=" N LEU x 263 " --> pdb=" O ALA x 259 " (cutoff:3.500A) removed outlier: 3.672A pdb=" N VAL x 268 " --> pdb=" O THR x 264 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N PHE x 272 " --> pdb=" O VAL x 268 " (cutoff:3.500A) Processing helix chain 'x' and resid 286 through 302 removed outlier: 4.230A pdb=" N PHE x 290 " --> pdb=" O ASN x 286 " (cutoff:3.500A) removed outlier: 3.771A pdb=" N THR x 291 " --> pdb=" O ILE x 287 " (cutoff:3.500A) removed outlier: 4.033A pdb=" N ALA x 299 " --> pdb=" O SER x 295 " (cutoff:3.500A) removed outlier: 4.558A pdb=" N LEU x 300 " --> pdb=" O GLU x 296 " (cutoff:3.500A) removed outlier: 3.926A pdb=" N GLY x 302 " --> pdb=" O SER x 298 " (cutoff:3.500A) Processing helix chain 'x' and resid 313 through 326 removed outlier: 3.549A pdb=" N LEU x 321 " --> pdb=" O ASP x 317 " (cutoff:3.500A) removed outlier: 4.307A pdb=" N ARG x 324 " --> pdb=" O GLY x 320 " (cutoff:3.500A) removed outlier: 3.808A pdb=" N ILE x 325 " --> pdb=" O LEU x 321 " (cutoff:3.500A) removed outlier: 4.809A pdb=" N THR x 326 " --> pdb=" O GLN x 322 " (cutoff:3.500A) Processing helix chain 'x' and resid 348 through 358 removed outlier: 3.654A pdb=" N THR x 354 " --> pdb=" O ALA x 350 " (cutoff:3.500A) removed outlier: 3.532A pdb=" N PHE x 355 " --> pdb=" O PRO x 351 " (cutoff:3.500A) removed outlier: 4.735A pdb=" N ALA x 356 " --> pdb=" O ALA x 352 " (cutoff:3.500A) removed outlier: 4.457A pdb=" N HIS x 357 " --> pdb=" O THR x 353 " (cutoff:3.500A) removed outlier: 3.977A pdb=" N LEU x 358 " --> pdb=" O THR x 354 " (cutoff:3.500A) Processing helix chain 'x' and resid 365 through 372 removed outlier: 3.558A pdb=" N ALA x 369 " --> pdb=" O SER x 365 " (cutoff:3.500A) removed outlier: 3.753A pdb=" N GLY x 372 " --> pdb=" O ILE x 368 " (cutoff:3.500A) Processing helix chain 'x' and resid 388 through 393 Processing helix chain 'x' and resid 394 through 420 removed outlier: 4.711A pdb=" N ASP x 415 " --> pdb=" O LYS x 411 " (cutoff:3.500A) removed outlier: 5.423A pdb=" N ILE x 416 " --> pdb=" O ASN x 412 " (cutoff:3.500A) Processing helix chain 'x' and resid 421 through 426 removed outlier: 4.580A pdb=" N LEU x 425 " --> pdb=" O GLY x 421 " (cutoff:3.500A) removed outlier: 6.005A pdb=" N SER x 426 " --> pdb=" O MET x 422 " (cutoff:3.500A) No H-bonds generated for 'chain 'x' and resid 421 through 426' Processing helix chain 'x' and resid 427 through 445 removed outlier: 4.087A pdb=" N SER x 444 " --> pdb=" O GLN x 440 " (cutoff:3.500A) removed outlier: 5.418A pdb=" N GLN x 445 " --> pdb=" O ARG x 441 " (cutoff:3.500A) Processing helix chain 'x' and resid 447 through 455 removed outlier: 5.593A pdb=" N VAL x 452 " --> pdb=" O GLN x 448 " (cutoff:3.500A) removed outlier: 5.442A pdb=" N PHE x 453 " --> pdb=" O VAL x 449 " (cutoff:3.500A) Processing helix chain 'x' and resid 462 through 476 Processing helix chain 'x' and resid 482 through 488 removed outlier: 4.239A pdb=" N PHE x 486 " --> pdb=" O PRO x 482 " (cutoff:3.500A) removed outlier: 4.314A pdb=" N TYR x 487 " --> pdb=" O GLU x 483 " (cutoff:3.500A) removed outlier: 6.167A pdb=" N MET x 488 " --> pdb=" O MET x 484 " (cutoff:3.500A) No H-bonds generated for 'chain 'x' and resid 482 through 488' Processing helix chain 'x' and resid 491 through 509 removed outlier: 3.803A pdb=" N LYS x 496 " --> pdb=" O ILE x 492 " (cutoff:3.500A) removed outlier: 3.571A pdb=" N LYS x 501 " --> pdb=" O GLU x 497 " (cutoff:3.500A) removed outlier: 3.758A pdb=" N ALA x 507 " --> pdb=" O ALA x 503 " (cutoff:3.500A) removed outlier: 4.190A pdb=" N ARG x 509 " --> pdb=" O ASP x 505 " (cutoff:3.500A) Processing helix chain 'x' and resid 526 through 534 removed outlier: 3.675A pdb=" N LEU x 530 " --> pdb=" O SER x 526 " (cutoff:3.500A) removed outlier: 3.647A pdb=" N VAL x 531 " --> pdb=" O LEU x 527 " (cutoff:3.500A) removed outlier: 3.879A pdb=" N SER x 532 " --> pdb=" O ASP x 528 " (cutoff:3.500A) removed outlier: 3.504A pdb=" N GLU x 533 " --> pdb=" O LYS x 529 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N ILE x 534 " --> pdb=" O LEU x 530 " (cutoff:3.500A) No H-bonds generated for 'chain 'x' and resid 526 through 534' Processing helix chain 'Y' and resid 114 through 119 removed outlier: 4.172A pdb=" N LEU Y 118 " --> pdb=" O GLY Y 114 " (cutoff:3.500A) removed outlier: 5.813A pdb=" N GLY Y 119 " --> pdb=" O ARG Y 115 " (cutoff:3.500A) No H-bonds generated for 'chain 'Y' and resid 114 through 119' Processing helix chain 'Y' and resid 164 through 170 Processing helix chain 'Y' and resid 188 through 204 removed outlier: 4.495A pdb=" N LYS Y 202 " --> pdb=" O ASN Y 198 " (cutoff:3.500A) removed outlier: 5.817A pdb=" N ALA Y 203 " --> pdb=" O ASN Y 199 " (cutoff:3.500A) removed outlier: 4.071A pdb=" N HIS Y 204 " --> pdb=" O VAL Y 200 " (cutoff:3.500A) Processing helix chain 'Y' and resid 216 through 231 removed outlier: 3.523A pdb=" N GLY Y 231 " --> pdb=" O MET Y 227 " (cutoff:3.500A) Processing helix chain 'Y' and resid 254 through 274 removed outlier: 3.831A pdb=" N ARG Y 260 " --> pdb=" O GLY Y 256 " (cutoff:3.500A) removed outlier: 4.821A pdb=" N ALA Y 262 " --> pdb=" O ARG Y 258 " (cutoff:3.500A) removed outlier: 5.253A pdb=" N LEU Y 263 " --> pdb=" O ALA Y 259 " (cutoff:3.500A) Processing helix chain 'Y' and resid 286 through 302 removed outlier: 4.213A pdb=" N PHE Y 290 " --> pdb=" O ASN Y 286 " (cutoff:3.500A) removed outlier: 3.813A pdb=" N THR Y 291 " --> pdb=" O ILE Y 287 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N VAL Y 297 " --> pdb=" O ALA Y 293 " (cutoff:3.500A) removed outlier: 4.739A pdb=" N ALA Y 299 " --> pdb=" O SER Y 295 " (cutoff:3.500A) removed outlier: 5.512A pdb=" N LEU Y 300 " --> pdb=" O GLU Y 296 " (cutoff:3.500A) removed outlier: 3.548A pdb=" N GLY Y 302 " --> pdb=" O SER Y 298 " (cutoff:3.500A) Processing helix chain 'Y' and resid 313 through 326 removed outlier: 3.560A pdb=" N LEU Y 321 " --> pdb=" O ASP Y 317 " (cutoff:3.500A) removed outlier: 4.194A pdb=" N ARG Y 324 " --> pdb=" O GLY Y 320 " (cutoff:3.500A) removed outlier: 3.763A pdb=" N ILE Y 325 " --> pdb=" O LEU Y 321 " (cutoff:3.500A) removed outlier: 4.915A pdb=" N THR Y 326 " --> pdb=" O GLN Y 322 " (cutoff:3.500A) Processing helix chain 'Y' and resid 348 through 358 removed outlier: 3.672A pdb=" N THR Y 354 " --> pdb=" O ALA Y 350 " (cutoff:3.500A) removed outlier: 4.566A pdb=" N ALA Y 356 " --> pdb=" O ALA Y 352 " (cutoff:3.500A) removed outlier: 4.413A pdb=" N HIS Y 357 " --> pdb=" O THR Y 353 " (cutoff:3.500A) removed outlier: 3.898A pdb=" N LEU Y 358 " --> pdb=" O THR Y 354 " (cutoff:3.500A) Processing helix chain 'Y' and resid 365 through 372 removed outlier: 3.693A pdb=" N LEU Y 371 " --> pdb=" O SER Y 367 " (cutoff:3.500A) removed outlier: 3.620A pdb=" N GLY Y 372 " --> pdb=" O ILE Y 368 " (cutoff:3.500A) Processing helix chain 'Y' and resid 388 through 393 Processing helix chain 'Y' and resid 394 through 417 removed outlier: 4.225A pdb=" N VAL Y 399 " --> pdb=" O GLU Y 395 " (cutoff:3.500A) removed outlier: 3.853A pdb=" N ASP Y 415 " --> pdb=" O LYS Y 411 " (cutoff:3.500A) removed outlier: 4.752A pdb=" N ILE Y 416 " --> pdb=" O ASN Y 412 " (cutoff:3.500A) Processing helix chain 'Y' and resid 426 through 445 removed outlier: 5.760A pdb=" N LYS Y 430 " --> pdb=" O SER Y 426 " (cutoff:3.500A) removed outlier: 4.014A pdb=" N LEU Y 431 " --> pdb=" O GLU Y 427 " (cutoff:3.500A) removed outlier: 3.895A pdb=" N SER Y 444 " --> pdb=" O GLN Y 440 " (cutoff:3.500A) removed outlier: 5.331A pdb=" N GLN Y 445 " --> pdb=" O ARG Y 441 " (cutoff:3.500A) Processing helix chain 'Y' and resid 450 through 455 removed outlier: 4.364A pdb=" N GLY Y 455 " --> pdb=" O GLU Y 451 " (cutoff:3.500A) Processing helix chain 'Y' and resid 462 through 476 Processing helix chain 'Y' and resid 482 through 488 removed outlier: 4.337A pdb=" N PHE Y 486 " --> pdb=" O PRO Y 482 " (cutoff:3.500A) removed outlier: 4.293A pdb=" N TYR Y 487 " --> pdb=" O GLU Y 483 " (cutoff:3.500A) removed outlier: 5.916A pdb=" N MET Y 488 " --> pdb=" O MET Y 484 " (cutoff:3.500A) No H-bonds generated for 'chain 'Y' and resid 482 through 488' Processing helix chain 'Y' and resid 491 through 514 removed outlier: 3.775A pdb=" N LYS Y 501 " --> pdb=" O GLU Y 497 " (cutoff:3.500A) removed outlier: 4.057A pdb=" N ALA Y 507 " --> pdb=" O ALA Y 503 " (cutoff:3.500A) removed outlier: 4.557A pdb=" N ARG Y 509 " --> pdb=" O ASP Y 505 " (cutoff:3.500A) removed outlier: 5.445A pdb=" N LYS Y 510 " --> pdb=" O ILE Y 506 " (cutoff:3.500A) removed outlier: 6.057A pdb=" N GLU Y 511 " --> pdb=" O ALA Y 507 " (cutoff:3.500A) removed outlier: 5.772A pdb=" N ALA Y 512 " --> pdb=" O SER Y 508 " (cutoff:3.500A) removed outlier: 4.656A pdb=" N ASP Y 513 " --> pdb=" O ARG Y 509 " (cutoff:3.500A) removed outlier: 4.991A pdb=" N ASN Y 514 " --> pdb=" O LYS Y 510 " (cutoff:3.500A) Processing helix chain 'Y' and resid 526 through 534 removed outlier: 3.580A pdb=" N LEU Y 530 " --> pdb=" O SER Y 526 " (cutoff:3.500A) removed outlier: 4.231A pdb=" N GLU Y 533 " --> pdb=" O LYS Y 529 " (cutoff:3.500A) removed outlier: 4.377A pdb=" N ILE Y 534 " --> pdb=" O LEU Y 530 " (cutoff:3.500A) Processing helix chain 'Y' and resid 544 through 556 removed outlier: 5.077A pdb=" N SER Y 556 " --> pdb=" O GLU Y 552 " (cutoff:3.500A) Processing helix chain 'y' and resid 114 through 119 removed outlier: 4.172A pdb=" N LEU y 118 " --> pdb=" O GLY y 114 " (cutoff:3.500A) removed outlier: 5.813A pdb=" N GLY y 119 " --> pdb=" O ARG y 115 " (cutoff:3.500A) No H-bonds generated for 'chain 'y' and resid 114 through 119' Processing helix chain 'y' and resid 164 through 170 Processing helix chain 'y' and resid 188 through 204 removed outlier: 4.495A pdb=" N LYS y 202 " --> pdb=" O ASN y 198 " (cutoff:3.500A) removed outlier: 5.817A pdb=" N ALA y 203 " --> pdb=" O ASN y 199 " (cutoff:3.500A) removed outlier: 4.071A pdb=" N HIS y 204 " --> pdb=" O VAL y 200 " (cutoff:3.500A) Processing helix chain 'y' and resid 216 through 231 removed outlier: 3.523A pdb=" N GLY y 231 " --> pdb=" O MET y 227 " (cutoff:3.500A) Processing helix chain 'y' and resid 254 through 274 removed outlier: 3.831A pdb=" N ARG y 260 " --> pdb=" O GLY y 256 " (cutoff:3.500A) removed outlier: 4.821A pdb=" N ALA y 262 " --> pdb=" O ARG y 258 " (cutoff:3.500A) removed outlier: 5.253A pdb=" N LEU y 263 " --> pdb=" O ALA y 259 " (cutoff:3.500A) Processing helix chain 'y' and resid 286 through 302 removed outlier: 4.213A pdb=" N PHE y 290 " --> pdb=" O ASN y 286 " (cutoff:3.500A) removed outlier: 3.813A pdb=" N THR y 291 " --> pdb=" O ILE y 287 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N VAL y 297 " --> pdb=" O ALA y 293 " (cutoff:3.500A) removed outlier: 4.739A pdb=" N ALA y 299 " --> pdb=" O SER y 295 " (cutoff:3.500A) removed outlier: 5.512A pdb=" N LEU y 300 " --> pdb=" O GLU y 296 " (cutoff:3.500A) removed outlier: 3.548A pdb=" N GLY y 302 " --> pdb=" O SER y 298 " (cutoff:3.500A) Processing helix chain 'y' and resid 313 through 326 removed outlier: 3.560A pdb=" N LEU y 321 " --> pdb=" O ASP y 317 " (cutoff:3.500A) removed outlier: 4.194A pdb=" N ARG y 324 " --> pdb=" O GLY y 320 " (cutoff:3.500A) removed outlier: 3.763A pdb=" N ILE y 325 " --> pdb=" O LEU y 321 " (cutoff:3.500A) removed outlier: 4.915A pdb=" N THR y 326 " --> pdb=" O GLN y 322 " (cutoff:3.500A) Processing helix chain 'y' and resid 348 through 358 removed outlier: 3.672A pdb=" N THR y 354 " --> pdb=" O ALA y 350 " (cutoff:3.500A) removed outlier: 4.566A pdb=" N ALA y 356 " --> pdb=" O ALA y 352 " (cutoff:3.500A) removed outlier: 4.413A pdb=" N HIS y 357 " --> pdb=" O THR y 353 " (cutoff:3.500A) removed outlier: 3.898A pdb=" N LEU y 358 " --> pdb=" O THR y 354 " (cutoff:3.500A) Processing helix chain 'y' and resid 365 through 372 removed outlier: 3.693A pdb=" N LEU y 371 " --> pdb=" O SER y 367 " (cutoff:3.500A) removed outlier: 3.620A pdb=" N GLY y 372 " --> pdb=" O ILE y 368 " (cutoff:3.500A) Processing helix chain 'y' and resid 388 through 393 Processing helix chain 'y' and resid 394 through 417 removed outlier: 4.225A pdb=" N VAL y 399 " --> pdb=" O GLU y 395 " (cutoff:3.500A) removed outlier: 3.853A pdb=" N ASP y 415 " --> pdb=" O LYS y 411 " (cutoff:3.500A) removed outlier: 4.752A pdb=" N ILE y 416 " --> pdb=" O ASN y 412 " (cutoff:3.500A) Processing helix chain 'y' and resid 426 through 445 removed outlier: 5.760A pdb=" N LYS y 430 " --> pdb=" O SER y 426 " (cutoff:3.500A) removed outlier: 4.014A pdb=" N LEU y 431 " --> pdb=" O GLU y 427 " (cutoff:3.500A) removed outlier: 3.895A pdb=" N SER y 444 " --> pdb=" O GLN y 440 " (cutoff:3.500A) removed outlier: 5.331A pdb=" N GLN y 445 " --> pdb=" O ARG y 441 " (cutoff:3.500A) Processing helix chain 'y' and resid 450 through 455 removed outlier: 4.364A pdb=" N GLY y 455 " --> pdb=" O GLU y 451 " (cutoff:3.500A) Processing helix chain 'y' and resid 462 through 476 Processing helix chain 'y' and resid 482 through 488 removed outlier: 4.337A pdb=" N PHE y 486 " --> pdb=" O PRO y 482 " (cutoff:3.500A) removed outlier: 4.293A pdb=" N TYR y 487 " --> pdb=" O GLU y 483 " (cutoff:3.500A) removed outlier: 5.916A pdb=" N MET y 488 " --> pdb=" O MET y 484 " (cutoff:3.500A) No H-bonds generated for 'chain 'y' and resid 482 through 488' Processing helix chain 'y' and resid 491 through 514 removed outlier: 3.775A pdb=" N LYS y 501 " --> pdb=" O GLU y 497 " (cutoff:3.500A) removed outlier: 4.057A pdb=" N ALA y 507 " --> pdb=" O ALA y 503 " (cutoff:3.500A) removed outlier: 4.557A pdb=" N ARG y 509 " --> pdb=" O ASP y 505 " (cutoff:3.500A) removed outlier: 5.445A pdb=" N LYS y 510 " --> pdb=" O ILE y 506 " (cutoff:3.500A) removed outlier: 6.057A pdb=" N GLU y 511 " --> pdb=" O ALA y 507 " (cutoff:3.500A) removed outlier: 5.772A pdb=" N ALA y 512 " --> pdb=" O SER y 508 " (cutoff:3.500A) removed outlier: 4.656A pdb=" N ASP y 513 " --> pdb=" O ARG y 509 " (cutoff:3.500A) removed outlier: 4.991A pdb=" N ASN y 514 " --> pdb=" O LYS y 510 " (cutoff:3.500A) Processing helix chain 'y' and resid 526 through 534 removed outlier: 3.580A pdb=" N LEU y 530 " --> pdb=" O SER y 526 " (cutoff:3.500A) removed outlier: 4.231A pdb=" N GLU y 533 " --> pdb=" O LYS y 529 " (cutoff:3.500A) removed outlier: 4.377A pdb=" N ILE y 534 " --> pdb=" O LEU y 530 " (cutoff:3.500A) Processing helix chain 'y' and resid 544 through 556 removed outlier: 5.077A pdb=" N SER y 556 " --> pdb=" O GLU y 552 " (cutoff:3.500A) Processing helix chain 'Z' and resid 149 through 154 removed outlier: 5.743A pdb=" N SER Z 154 " --> pdb=" O PHE Z 150 " (cutoff:3.500A) Processing helix chain 'Z' and resid 164 through 170 Processing helix chain 'Z' and resid 188 through 203 Processing helix chain 'Z' and resid 216 through 231 Processing helix chain 'Z' and resid 254 through 274 removed outlier: 4.477A pdb=" N ALA Z 262 " --> pdb=" O ARG Z 258 " (cutoff:3.500A) removed outlier: 5.048A pdb=" N LEU Z 263 " --> pdb=" O ALA Z 259 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N PHE Z 272 " --> pdb=" O VAL Z 268 " (cutoff:3.500A) Processing helix chain 'Z' and resid 286 through 302 removed outlier: 3.589A pdb=" N PHE Z 290 " --> pdb=" O ASN Z 286 " (cutoff:3.500A) Processing helix chain 'Z' and resid 313 through 326 removed outlier: 3.860A pdb=" N LEU Z 321 " --> pdb=" O ASP Z 317 " (cutoff:3.500A) removed outlier: 4.214A pdb=" N ARG Z 324 " --> pdb=" O GLY Z 320 " (cutoff:3.500A) removed outlier: 3.863A pdb=" N ILE Z 325 " --> pdb=" O LEU Z 321 " (cutoff:3.500A) removed outlier: 5.219A pdb=" N THR Z 326 " --> pdb=" O GLN Z 322 " (cutoff:3.500A) Processing helix chain 'Z' and resid 348 through 359 removed outlier: 3.627A pdb=" N ALA Z 356 " --> pdb=" O ALA Z 352 " (cutoff:3.500A) removed outlier: 4.183A pdb=" N HIS Z 357 " --> pdb=" O THR Z 353 " (cutoff:3.500A) removed outlier: 6.009A pdb=" N ASP Z 359 " --> pdb=" O PHE Z 355 " (cutoff:3.500A) Processing helix chain 'Z' and resid 365 through 372 removed outlier: 3.739A pdb=" N LEU Z 371 " --> pdb=" O SER Z 367 " (cutoff:3.500A) removed outlier: 4.065A pdb=" N GLY Z 372 " --> pdb=" O ILE Z 368 " (cutoff:3.500A) Processing helix chain 'Z' and resid 388 through 393 removed outlier: 3.519A pdb=" N ILE Z 392 " --> pdb=" O ASN Z 388 " (cutoff:3.500A) Processing helix chain 'Z' and resid 394 through 420 removed outlier: 3.816A pdb=" N VAL Z 399 " --> pdb=" O GLU Z 395 " (cutoff:3.500A) removed outlier: 3.971A pdb=" N LEU Z 413 " --> pdb=" O ASP Z 409 " (cutoff:3.500A) removed outlier: 3.991A pdb=" N GLN Z 414 " --> pdb=" O TYR Z 410 " (cutoff:3.500A) removed outlier: 5.540A pdb=" N ASP Z 415 " --> pdb=" O LYS Z 411 " (cutoff:3.500A) removed outlier: 5.219A pdb=" N ILE Z 416 " --> pdb=" O ASN Z 412 " (cutoff:3.500A) removed outlier: 3.747A pdb=" N ALA Z 418 " --> pdb=" O GLN Z 414 " (cutoff:3.500A) removed outlier: 4.418A pdb=" N ILE Z 419 " --> pdb=" O ASP Z 415 " (cutoff:3.500A) Processing helix chain 'Z' and resid 426 through 444 removed outlier: 3.500A pdb=" N LYS Z 438 " --> pdb=" O ALA Z 434 " (cutoff:3.500A) removed outlier: 3.640A pdb=" N PHE Z 442 " --> pdb=" O LYS Z 438 " (cutoff:3.500A) removed outlier: 4.498A pdb=" N SER Z 444 " --> pdb=" O GLN Z 440 " (cutoff:3.500A) Processing helix chain 'Z' and resid 447 through 452 removed outlier: 3.538A pdb=" N GLU Z 451 " --> pdb=" O PHE Z 447 " (cutoff:3.500A) removed outlier: 5.170A pdb=" N VAL Z 452 " --> pdb=" O GLN Z 448 " (cutoff:3.500A) No H-bonds generated for 'chain 'Z' and resid 447 through 452' Processing helix chain 'Z' and resid 462 through 476 removed outlier: 3.687A pdb=" N GLY Z 472 " --> pdb=" O SER Z 468 " (cutoff:3.500A) removed outlier: 3.834A pdb=" N VAL Z 473 " --> pdb=" O GLY Z 469 " (cutoff:3.500A) Processing helix chain 'Z' and resid 482 through 488 removed outlier: 3.906A pdb=" N PHE Z 486 " --> pdb=" O PRO Z 482 " (cutoff:3.500A) removed outlier: 4.258A pdb=" N TYR Z 487 " --> pdb=" O GLU Z 483 " (cutoff:3.500A) removed outlier: 6.373A pdb=" N MET Z 488 " --> pdb=" O MET Z 484 " (cutoff:3.500A) No H-bonds generated for 'chain 'Z' and resid 482 through 488' Processing helix chain 'Z' and resid 491 through 509 removed outlier: 3.914A pdb=" N LYS Z 496 " --> pdb=" O ILE Z 492 " (cutoff:3.500A) removed outlier: 4.100A pdb=" N GLU Z 497 " --> pdb=" O LYS Z 493 " (cutoff:3.500A) removed outlier: 4.177A pdb=" N LYS Z 501 " --> pdb=" O GLU Z 497 " (cutoff:3.500A) removed outlier: 4.149A pdb=" N ILE Z 506 " --> pdb=" O MET Z 502 " (cutoff:3.500A) removed outlier: 4.582A pdb=" N ALA Z 507 " --> pdb=" O ALA Z 503 " (cutoff:3.500A) Processing helix chain 'Z' and resid 526 through 534 removed outlier: 3.888A pdb=" N SER Z 532 " --> pdb=" O ASP Z 528 " (cutoff:3.500A) removed outlier: 3.610A pdb=" N GLU Z 533 " --> pdb=" O LYS Z 529 " (cutoff:3.500A) removed outlier: 4.018A pdb=" N ILE Z 534 " --> pdb=" O LEU Z 530 " (cutoff:3.500A) Processing helix chain 'z' and resid 149 through 154 removed outlier: 5.743A pdb=" N SER z 154 " --> pdb=" O PHE z 150 " (cutoff:3.500A) Processing helix chain 'z' and resid 164 through 170 Processing helix chain 'z' and resid 188 through 203 Processing helix chain 'z' and resid 216 through 231 Processing helix chain 'z' and resid 254 through 274 removed outlier: 4.477A pdb=" N ALA z 262 " --> pdb=" O ARG z 258 " (cutoff:3.500A) removed outlier: 5.048A pdb=" N LEU z 263 " --> pdb=" O ALA z 259 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N PHE z 272 " --> pdb=" O VAL z 268 " (cutoff:3.500A) Processing helix chain 'z' and resid 286 through 302 removed outlier: 3.589A pdb=" N PHE z 290 " --> pdb=" O ASN z 286 " (cutoff:3.500A) Processing helix chain 'z' and resid 313 through 326 removed outlier: 3.860A pdb=" N LEU z 321 " --> pdb=" O ASP z 317 " (cutoff:3.500A) removed outlier: 4.214A pdb=" N ARG z 324 " --> pdb=" O GLY z 320 " (cutoff:3.500A) removed outlier: 3.863A pdb=" N ILE z 325 " --> pdb=" O LEU z 321 " (cutoff:3.500A) removed outlier: 5.219A pdb=" N THR z 326 " --> pdb=" O GLN z 322 " (cutoff:3.500A) Processing helix chain 'z' and resid 348 through 359 removed outlier: 3.627A pdb=" N ALA z 356 " --> pdb=" O ALA z 352 " (cutoff:3.500A) removed outlier: 4.183A pdb=" N HIS z 357 " --> pdb=" O THR z 353 " (cutoff:3.500A) removed outlier: 6.009A pdb=" N ASP z 359 " --> pdb=" O PHE z 355 " (cutoff:3.500A) Processing helix chain 'z' and resid 365 through 372 removed outlier: 3.739A pdb=" N LEU z 371 " --> pdb=" O SER z 367 " (cutoff:3.500A) removed outlier: 4.065A pdb=" N GLY z 372 " --> pdb=" O ILE z 368 " (cutoff:3.500A) Processing helix chain 'z' and resid 388 through 393 removed outlier: 3.519A pdb=" N ILE z 392 " --> pdb=" O ASN z 388 " (cutoff:3.500A) Processing helix chain 'z' and resid 394 through 420 removed outlier: 3.816A pdb=" N VAL z 399 " --> pdb=" O GLU z 395 " (cutoff:3.500A) removed outlier: 3.971A pdb=" N LEU z 413 " --> pdb=" O ASP z 409 " (cutoff:3.500A) removed outlier: 3.991A pdb=" N GLN z 414 " --> pdb=" O TYR z 410 " (cutoff:3.500A) removed outlier: 5.540A pdb=" N ASP z 415 " --> pdb=" O LYS z 411 " (cutoff:3.500A) removed outlier: 5.219A pdb=" N ILE z 416 " --> pdb=" O ASN z 412 " (cutoff:3.500A) removed outlier: 3.747A pdb=" N ALA z 418 " --> pdb=" O GLN z 414 " (cutoff:3.500A) removed outlier: 4.418A pdb=" N ILE z 419 " --> pdb=" O ASP z 415 " (cutoff:3.500A) Processing helix chain 'z' and resid 426 through 444 removed outlier: 3.500A pdb=" N LYS z 438 " --> pdb=" O ALA z 434 " (cutoff:3.500A) removed outlier: 3.640A pdb=" N PHE z 442 " --> pdb=" O LYS z 438 " (cutoff:3.500A) removed outlier: 4.498A pdb=" N SER z 444 " --> pdb=" O GLN z 440 " (cutoff:3.500A) Processing helix chain 'z' and resid 447 through 452 removed outlier: 3.538A pdb=" N GLU z 451 " --> pdb=" O PHE z 447 " (cutoff:3.500A) removed outlier: 5.170A pdb=" N VAL z 452 " --> pdb=" O GLN z 448 " (cutoff:3.500A) No H-bonds generated for 'chain 'z' and resid 447 through 452' Processing helix chain 'z' and resid 462 through 476 removed outlier: 3.687A pdb=" N GLY z 472 " --> pdb=" O SER z 468 " (cutoff:3.500A) removed outlier: 3.834A pdb=" N VAL z 473 " --> pdb=" O GLY z 469 " (cutoff:3.500A) Processing helix chain 'z' and resid 482 through 488 removed outlier: 3.906A pdb=" N PHE z 486 " --> pdb=" O PRO z 482 " (cutoff:3.500A) removed outlier: 4.258A pdb=" N TYR z 487 " --> pdb=" O GLU z 483 " (cutoff:3.500A) removed outlier: 6.373A pdb=" N MET z 488 " --> pdb=" O MET z 484 " (cutoff:3.500A) No H-bonds generated for 'chain 'z' and resid 482 through 488' Processing helix chain 'z' and resid 491 through 509 removed outlier: 3.914A pdb=" N LYS z 496 " --> pdb=" O ILE z 492 " (cutoff:3.500A) removed outlier: 4.100A pdb=" N GLU z 497 " --> pdb=" O LYS z 493 " (cutoff:3.500A) removed outlier: 4.177A pdb=" N LYS z 501 " --> pdb=" O GLU z 497 " (cutoff:3.500A) removed outlier: 4.149A pdb=" N ILE z 506 " --> pdb=" O MET z 502 " (cutoff:3.500A) removed outlier: 4.582A pdb=" N ALA z 507 " --> pdb=" O ALA z 503 " (cutoff:3.500A) Processing helix chain 'z' and resid 526 through 534 removed outlier: 3.888A pdb=" N SER z 532 " --> pdb=" O ASP z 528 " (cutoff:3.500A) removed outlier: 3.610A pdb=" N GLU z 533 " --> pdb=" O LYS z 529 " (cutoff:3.500A) removed outlier: 4.018A pdb=" N ILE z 534 " --> pdb=" O LEU z 530 " (cutoff:3.500A) Processing sheet with id= 1, first strand: chain '2' and resid 368 through 372 removed outlier: 4.457A pdb=" N ILE 2 368 " --> pdb=" O VAL 2 379 " (cutoff:3.500A) Processing sheet with id= 2, first strand: chain 'N' and resid 368 through 372 removed outlier: 4.457A pdb=" N ILE N 368 " --> pdb=" O VAL N 379 " (cutoff:3.500A) Processing sheet with id= 3, first strand: chain '7' and resid 36 through 41 Processing sheet with id= 4, first strand: chain 'c' and resid 36 through 41 Processing sheet with id= 5, first strand: chain 'P' and resid 183 through 190 removed outlier: 6.961A pdb=" N CYS P 154 " --> pdb=" O VAL P 185 " (cutoff:3.500A) removed outlier: 3.698A pdb=" N GLN P 187 " --> pdb=" O CYS P 154 " (cutoff:3.500A) removed outlier: 3.914A pdb=" N PHE P 198 " --> pdb=" O MET P 209 " (cutoff:3.500A) Processing sheet with id= 6, first strand: chain 'q' and resid 183 through 190 removed outlier: 6.961A pdb=" N CYS q 154 " --> pdb=" O VAL q 185 " (cutoff:3.500A) removed outlier: 3.698A pdb=" N GLN q 187 " --> pdb=" O CYS q 154 " (cutoff:3.500A) removed outlier: 3.914A pdb=" N PHE q 198 " --> pdb=" O MET q 209 " (cutoff:3.500A) Processing sheet with id= 7, first strand: chain 'Q' and resid 46 through 50 removed outlier: 3.520A pdb=" N PHE Q 47 " --> pdb=" O TYR Q 63 " (cutoff:3.500A) Processing sheet with id= 8, first strand: chain 'r' and resid 46 through 50 removed outlier: 3.520A pdb=" N PHE r 47 " --> pdb=" O TYR r 63 " (cutoff:3.500A) Processing sheet with id= 9, first strand: chain 'R' and resid 71 through 75 removed outlier: 3.999A pdb=" N VAL R 141 " --> pdb=" O HIS R 137 " (cutoff:3.500A) removed outlier: 3.805A pdb=" N LEU R 111 " --> pdb=" O GLY R 132 " (cutoff:3.500A) Processing sheet with id= 10, first strand: chain 'R' and resid 96 through 101 removed outlier: 3.794A pdb=" N THR R 88 " --> pdb=" O HIS R 119 " (cutoff:3.500A) removed outlier: 6.544A pdb=" N VAL R 115 " --> pdb=" O PRO R 92 " (cutoff:3.500A) removed outlier: 6.017A pdb=" N GLU R 123 " --> pdb=" O SER R 120 " (cutoff:3.500A) Processing sheet with id= 11, first strand: chain 's' and resid 71 through 75 removed outlier: 3.999A pdb=" N VAL s 141 " --> pdb=" O HIS s 137 " (cutoff:3.500A) removed outlier: 3.805A pdb=" N LEU s 111 " --> pdb=" O GLY s 132 " (cutoff:3.500A) Processing sheet with id= 12, first strand: chain 's' and resid 96 through 101 removed outlier: 3.794A pdb=" N THR s 88 " --> pdb=" O HIS s 119 " (cutoff:3.500A) removed outlier: 6.544A pdb=" N VAL s 115 " --> pdb=" O PRO s 92 " (cutoff:3.500A) removed outlier: 6.017A pdb=" N GLU s 123 " --> pdb=" O SER s 120 " (cutoff:3.500A) Processing sheet with id= 13, first strand: chain 'S' and resid 136 through 142 removed outlier: 5.333A pdb=" N ASN S 195 " --> pdb=" O VAL S 105 " (cutoff:3.500A) removed outlier: 7.047A pdb=" N GLN S 188 " --> pdb=" O SER S 212 " (cutoff:3.500A) removed outlier: 3.516A pdb=" N LYS S 204 " --> pdb=" O LYS S 196 " (cutoff:3.500A) removed outlier: 6.800A pdb=" N SER S 202 " --> pdb=" O ARG S 198 " (cutoff:3.500A) Processing sheet with id= 14, first strand: chain 't' and resid 136 through 142 removed outlier: 5.333A pdb=" N ASN t 195 " --> pdb=" O VAL t 105 " (cutoff:3.500A) removed outlier: 7.047A pdb=" N GLN t 188 " --> pdb=" O SER t 212 " (cutoff:3.500A) removed outlier: 3.516A pdb=" N LYS t 204 " --> pdb=" O LYS t 196 " (cutoff:3.500A) removed outlier: 6.800A pdb=" N SER t 202 " --> pdb=" O ARG t 198 " (cutoff:3.500A) Processing sheet with id= 15, first strand: chain 'T' and resid 83 through 87 removed outlier: 7.212A pdb=" N HIS T 83 " --> pdb=" O TYR T 145 " (cutoff:3.500A) removed outlier: 4.719A pdb=" N TYR T 145 " --> pdb=" O HIS T 83 " (cutoff:3.500A) removed outlier: 6.293A pdb=" N GLY T 85 " --> pdb=" O LEU T 143 " (cutoff:3.500A) removed outlier: 4.314A pdb=" N LEU T 143 " --> pdb=" O GLY T 85 " (cutoff:3.500A) removed outlier: 4.861A pdb=" N VAL T 87 " --> pdb=" O GLY T 141 " (cutoff:3.500A) removed outlier: 7.114A pdb=" N LEU T 108 " --> pdb=" O THR T 147 " (cutoff:3.500A) removed outlier: 3.772A pdb=" N GLU T 107 " --> pdb=" O ALA T 119 " (cutoff:3.500A) removed outlier: 4.359A pdb=" N VAL T 115 " --> pdb=" O PHE T 111 " (cutoff:3.500A) removed outlier: 4.345A pdb=" N LYS T 116 " --> pdb=" O PHE T 132 " (cutoff:3.500A) removed outlier: 6.709A pdb=" N GLY T 128 " --> pdb=" O LEU T 120 " (cutoff:3.500A) Processing sheet with id= 16, first strand: chain 'T' and resid 152 through 156 Processing sheet with id= 17, first strand: chain 'T' and resid 161 through 165 removed outlier: 4.159A pdb=" N ARG T 162 " --> pdb=" O THR T 285 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N TYR T 284 " --> pdb=" O VAL T 255 " (cutoff:3.500A) Processing sheet with id= 18, first strand: chain 'T' and resid 377 through 385 removed outlier: 4.218A pdb=" N GLN T 219 " --> pdb=" O LEU T 377 " (cutoff:3.500A) removed outlier: 3.584A pdb=" N GLY T 404 " --> pdb=" O ARG T 220 " (cutoff:3.500A) removed outlier: 3.579A pdb=" N LEU T 222 " --> pdb=" O GLY T 404 " (cutoff:3.500A) removed outlier: 4.033A pdb=" N ASP T 226 " --> pdb=" O LEU T 408 " (cutoff:3.500A) Processing sheet with id= 19, first strand: chain 'u' and resid 83 through 87 removed outlier: 7.212A pdb=" N HIS u 83 " --> pdb=" O TYR u 145 " (cutoff:3.500A) removed outlier: 4.719A pdb=" N TYR u 145 " --> pdb=" O HIS u 83 " (cutoff:3.500A) removed outlier: 6.293A pdb=" N GLY u 85 " --> pdb=" O LEU u 143 " (cutoff:3.500A) removed outlier: 4.314A pdb=" N LEU u 143 " --> pdb=" O GLY u 85 " (cutoff:3.500A) removed outlier: 4.861A pdb=" N VAL u 87 " --> pdb=" O GLY u 141 " (cutoff:3.500A) removed outlier: 7.114A pdb=" N LEU u 108 " --> pdb=" O THR u 147 " (cutoff:3.500A) removed outlier: 3.772A pdb=" N GLU u 107 " --> pdb=" O ALA u 119 " (cutoff:3.500A) removed outlier: 4.359A pdb=" N VAL u 115 " --> pdb=" O PHE u 111 " (cutoff:3.500A) removed outlier: 4.345A pdb=" N LYS u 116 " --> pdb=" O PHE u 132 " (cutoff:3.500A) removed outlier: 6.709A pdb=" N GLY u 128 " --> pdb=" O LEU u 120 " (cutoff:3.500A) Processing sheet with id= 20, first strand: chain 'u' and resid 152 through 156 Processing sheet with id= 21, first strand: chain 'u' and resid 161 through 165 removed outlier: 4.159A pdb=" N ARG u 162 " --> pdb=" O THR u 285 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N TYR u 284 " --> pdb=" O VAL u 255 " (cutoff:3.500A) Processing sheet with id= 22, first strand: chain 'u' and resid 377 through 385 removed outlier: 4.218A pdb=" N GLN u 219 " --> pdb=" O LEU u 377 " (cutoff:3.500A) removed outlier: 3.584A pdb=" N GLY u 404 " --> pdb=" O ARG u 220 " (cutoff:3.500A) removed outlier: 3.579A pdb=" N LEU u 222 " --> pdb=" O GLY u 404 " (cutoff:3.500A) removed outlier: 4.033A pdb=" N ASP u 226 " --> pdb=" O LEU u 408 " (cutoff:3.500A) Processing sheet with id= 23, first strand: chain 'U' and resid 84 through 87 removed outlier: 4.611A pdb=" N ASP U 142 " --> pdb=" O VAL U 87 " (cutoff:3.500A) Processing sheet with id= 24, first strand: chain 'U' and resid 94 through 98 removed outlier: 6.700A pdb=" N GLY U 128 " --> pdb=" O LEU U 120 " (cutoff:3.500A) removed outlier: 4.314A pdb=" N LYS U 116 " --> pdb=" O PHE U 132 " (cutoff:3.500A) removed outlier: 4.243A pdb=" N GLU U 107 " --> pdb=" O ALA U 119 " (cutoff:3.500A) Processing sheet with id= 25, first strand: chain 'U' and resid 152 through 156 Processing sheet with id= 26, first strand: chain 'U' and resid 161 through 165 removed outlier: 4.029A pdb=" N ARG U 162 " --> pdb=" O THR U 285 " (cutoff:3.500A) removed outlier: 6.576A pdb=" N TYR U 284 " --> pdb=" O VAL U 255 " (cutoff:3.500A) Processing sheet with id= 27, first strand: chain 'U' and resid 377 through 385 removed outlier: 4.485A pdb=" N GLN U 219 " --> pdb=" O LEU U 377 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N GLY U 404 " --> pdb=" O ARG U 220 " (cutoff:3.500A) removed outlier: 3.992A pdb=" N ASP U 226 " --> pdb=" O LEU U 408 " (cutoff:3.500A) Processing sheet with id= 28, first strand: chain 'v' and resid 84 through 87 removed outlier: 4.611A pdb=" N ASP v 142 " --> pdb=" O VAL v 87 " (cutoff:3.500A) Processing sheet with id= 29, first strand: chain 'v' and resid 94 through 98 removed outlier: 6.700A pdb=" N GLY v 128 " --> pdb=" O LEU v 120 " (cutoff:3.500A) removed outlier: 4.314A pdb=" N LYS v 116 " --> pdb=" O PHE v 132 " (cutoff:3.500A) removed outlier: 4.243A pdb=" N GLU v 107 " --> pdb=" O ALA v 119 " (cutoff:3.500A) Processing sheet with id= 30, first strand: chain 'v' and resid 152 through 156 Processing sheet with id= 31, first strand: chain 'v' and resid 161 through 165 removed outlier: 4.029A pdb=" N ARG v 162 " --> pdb=" O THR v 285 " (cutoff:3.500A) removed outlier: 6.576A pdb=" N TYR v 284 " --> pdb=" O VAL v 255 " (cutoff:3.500A) Processing sheet with id= 32, first strand: chain 'v' and resid 377 through 385 removed outlier: 4.485A pdb=" N GLN v 219 " --> pdb=" O LEU v 377 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N GLY v 404 " --> pdb=" O ARG v 220 " (cutoff:3.500A) removed outlier: 3.992A pdb=" N ASP v 226 " --> pdb=" O LEU v 408 " (cutoff:3.500A) Processing sheet with id= 33, first strand: chain 'V' and resid 84 through 87 removed outlier: 4.473A pdb=" N ASP V 142 " --> pdb=" O VAL V 87 " (cutoff:3.500A) Processing sheet with id= 34, first strand: chain 'V' and resid 93 through 98 removed outlier: 6.499A pdb=" N GLY V 93 " --> pdb=" O VAL V 131 " (cutoff:3.500A) removed outlier: 6.439A pdb=" N GLY V 128 " --> pdb=" O LEU V 120 " (cutoff:3.500A) removed outlier: 5.368A pdb=" N LYS V 116 " --> pdb=" O PHE V 132 " (cutoff:3.500A) removed outlier: 4.103A pdb=" N VAL V 115 " --> pdb=" O PHE V 111 " (cutoff:3.500A) removed outlier: 3.873A pdb=" N GLU V 107 " --> pdb=" O ALA V 119 " (cutoff:3.500A) Processing sheet with id= 35, first strand: chain 'V' and resid 152 through 156 Processing sheet with id= 36, first strand: chain 'V' and resid 161 through 165 removed outlier: 4.243A pdb=" N ARG V 162 " --> pdb=" O THR V 285 " (cutoff:3.500A) Processing sheet with id= 37, first strand: chain 'V' and resid 221 through 225 removed outlier: 3.530A pdb=" N LEU V 222 " --> pdb=" O GLY V 404 " (cutoff:3.500A) Processing sheet with id= 38, first strand: chain 'w' and resid 84 through 87 removed outlier: 4.473A pdb=" N ASP w 142 " --> pdb=" O VAL w 87 " (cutoff:3.500A) Processing sheet with id= 39, first strand: chain 'w' and resid 93 through 98 removed outlier: 6.499A pdb=" N GLY w 93 " --> pdb=" O VAL w 131 " (cutoff:3.500A) removed outlier: 6.439A pdb=" N GLY w 128 " --> pdb=" O LEU w 120 " (cutoff:3.500A) removed outlier: 5.368A pdb=" N LYS w 116 " --> pdb=" O PHE w 132 " (cutoff:3.500A) removed outlier: 4.103A pdb=" N VAL w 115 " --> pdb=" O PHE w 111 " (cutoff:3.500A) removed outlier: 3.873A pdb=" N GLU w 107 " --> pdb=" O ALA w 119 " (cutoff:3.500A) Processing sheet with id= 40, first strand: chain 'w' and resid 152 through 156 Processing sheet with id= 41, first strand: chain 'w' and resid 161 through 165 removed outlier: 4.243A pdb=" N ARG w 162 " --> pdb=" O THR w 285 " (cutoff:3.500A) Processing sheet with id= 42, first strand: chain 'w' and resid 221 through 225 removed outlier: 3.530A pdb=" N LEU w 222 " --> pdb=" O GLY w 404 " (cutoff:3.500A) Processing sheet with id= 43, first strand: chain 'X' and resid 109 through 113 removed outlier: 7.535A pdb=" N ILE X 109 " --> pdb=" O ILE X 143 " (cutoff:3.500A) Processing sheet with id= 44, first strand: chain 'X' and resid 119 through 122 removed outlier: 4.470A pdb=" N ARG X 120 " --> pdb=" O CYS X 244 " (cutoff:3.500A) removed outlier: 6.278A pdb=" N LYS X 243 " --> pdb=" O GLY X 206 " (cutoff:3.500A) removed outlier: 4.404A pdb=" N GLY X 177 " --> pdb=" O ILE X 333 " (cutoff:3.500A) removed outlier: 4.644A pdb=" N GLY X 184 " --> pdb=" O LEU X 364 " (cutoff:3.500A) removed outlier: 8.992A pdb=" N ASP X 359 " --> pdb=" O ARG X 385 " (cutoff:3.500A) Processing sheet with id= 45, first strand: chain 'X' and resid 38 through 41 removed outlier: 6.595A pdb=" N ASP X 49 " --> pdb=" O SER X 41 " (cutoff:3.500A) removed outlier: 5.527A pdb=" N ASN X 83 " --> pdb=" O PHE X 52 " (cutoff:3.500A) removed outlier: 6.577A pdb=" N ARG X 86 " --> pdb=" O ALA X 77 " (cutoff:3.500A) removed outlier: 6.250A pdb=" N VAL X 73 " --> pdb=" O MET X 90 " (cutoff:3.500A) removed outlier: 4.964A pdb=" N LEU X 72 " --> pdb=" O VAL X 65 " (cutoff:3.500A) removed outlier: 4.315A pdb=" N SER X 61 " --> pdb=" O VAL X 76 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N SER X 62 " --> pdb=" O THR X 105 " (cutoff:3.500A) removed outlier: 4.557A pdb=" N LYS X 101 " --> pdb=" O GLU X 66 " (cutoff:3.500A) Processing sheet with id= 46, first strand: chain 'X' and resid 37 through 40 removed outlier: 4.341A pdb=" N GLN X 100 " --> pdb=" O VAL X 40 " (cutoff:3.500A) Processing sheet with id= 47, first strand: chain 'x' and resid 109 through 113 removed outlier: 7.535A pdb=" N ILE x 109 " --> pdb=" O ILE x 143 " (cutoff:3.500A) Processing sheet with id= 48, first strand: chain 'x' and resid 119 through 122 removed outlier: 4.470A pdb=" N ARG x 120 " --> pdb=" O CYS x 244 " (cutoff:3.500A) removed outlier: 6.278A pdb=" N LYS x 243 " --> pdb=" O GLY x 206 " (cutoff:3.500A) removed outlier: 4.404A pdb=" N GLY x 177 " --> pdb=" O ILE x 333 " (cutoff:3.500A) removed outlier: 4.644A pdb=" N GLY x 184 " --> pdb=" O LEU x 364 " (cutoff:3.500A) removed outlier: 8.992A pdb=" N ASP x 359 " --> pdb=" O ARG x 385 " (cutoff:3.500A) Processing sheet with id= 49, first strand: chain 'x' and resid 38 through 41 removed outlier: 6.595A pdb=" N ASP x 49 " --> pdb=" O SER x 41 " (cutoff:3.500A) removed outlier: 5.527A pdb=" N ASN x 83 " --> pdb=" O PHE x 52 " (cutoff:3.500A) removed outlier: 6.577A pdb=" N ARG x 86 " --> pdb=" O ALA x 77 " (cutoff:3.500A) removed outlier: 6.250A pdb=" N VAL x 73 " --> pdb=" O MET x 90 " (cutoff:3.500A) removed outlier: 4.964A pdb=" N LEU x 72 " --> pdb=" O VAL x 65 " (cutoff:3.500A) removed outlier: 4.315A pdb=" N SER x 61 " --> pdb=" O VAL x 76 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N SER x 62 " --> pdb=" O THR x 105 " (cutoff:3.500A) removed outlier: 4.557A pdb=" N LYS x 101 " --> pdb=" O GLU x 66 " (cutoff:3.500A) Processing sheet with id= 50, first strand: chain 'x' and resid 37 through 40 removed outlier: 4.341A pdb=" N GLN x 100 " --> pdb=" O VAL x 40 " (cutoff:3.500A) Processing sheet with id= 51, first strand: chain 'Y' and resid 109 through 113 removed outlier: 7.365A pdb=" N ILE Y 109 " --> pdb=" O ILE Y 143 " (cutoff:3.500A) Processing sheet with id= 52, first strand: chain 'Y' and resid 243 through 249 removed outlier: 6.694A pdb=" N LYS Y 243 " --> pdb=" O GLY Y 206 " (cutoff:3.500A) removed outlier: 3.517A pdb=" N VAL Y 213 " --> pdb=" O ASP Y 285 " (cutoff:3.500A) removed outlier: 3.839A pdb=" N SER Y 332 " --> pdb=" O GLN Y 278 " (cutoff:3.500A) removed outlier: 4.338A pdb=" N GLY Y 177 " --> pdb=" O ILE Y 333 " (cutoff:3.500A) removed outlier: 4.637A pdb=" N GLY Y 184 " --> pdb=" O LEU Y 364 " (cutoff:3.500A) removed outlier: 8.825A pdb=" N ASP Y 359 " --> pdb=" O ARG Y 385 " (cutoff:3.500A) removed outlier: 4.944A pdb=" N VAL Y 363 " --> pdb=" O ASP Y 381 " (cutoff:3.500A) removed outlier: 6.077A pdb=" N ASP Y 381 " --> pdb=" O VAL Y 363 " (cutoff:3.500A) Processing sheet with id= 53, first strand: chain 'Y' and resid 38 through 41 removed outlier: 6.390A pdb=" N ASP Y 49 " --> pdb=" O SER Y 41 " (cutoff:3.500A) removed outlier: 5.484A pdb=" N ASN Y 83 " --> pdb=" O PHE Y 52 " (cutoff:3.500A) removed outlier: 6.693A pdb=" N ARG Y 86 " --> pdb=" O ALA Y 77 " (cutoff:3.500A) removed outlier: 6.163A pdb=" N VAL Y 73 " --> pdb=" O MET Y 90 " (cutoff:3.500A) removed outlier: 4.670A pdb=" N LEU Y 72 " --> pdb=" O VAL Y 65 " (cutoff:3.500A) removed outlier: 4.447A pdb=" N SER Y 61 " --> pdb=" O VAL Y 76 " (cutoff:3.500A) removed outlier: 7.037A pdb=" N SER Y 62 " --> pdb=" O THR Y 105 " (cutoff:3.500A) Processing sheet with id= 54, first strand: chain 'Y' and resid 37 through 40 removed outlier: 4.460A pdb=" N GLN Y 100 " --> pdb=" O VAL Y 40 " (cutoff:3.500A) Processing sheet with id= 55, first strand: chain 'y' and resid 109 through 113 removed outlier: 7.365A pdb=" N ILE y 109 " --> pdb=" O ILE y 143 " (cutoff:3.500A) Processing sheet with id= 56, first strand: chain 'y' and resid 243 through 249 removed outlier: 6.694A pdb=" N LYS y 243 " --> pdb=" O GLY y 206 " (cutoff:3.500A) removed outlier: 3.517A pdb=" N VAL y 213 " --> pdb=" O ASP y 285 " (cutoff:3.500A) removed outlier: 3.839A pdb=" N SER y 332 " --> pdb=" O GLN y 278 " (cutoff:3.500A) removed outlier: 4.338A pdb=" N GLY y 177 " --> pdb=" O ILE y 333 " (cutoff:3.500A) removed outlier: 4.637A pdb=" N GLY y 184 " --> pdb=" O LEU y 364 " (cutoff:3.500A) removed outlier: 8.825A pdb=" N ASP y 359 " --> pdb=" O ARG y 385 " (cutoff:3.500A) removed outlier: 4.944A pdb=" N VAL y 363 " --> pdb=" O ASP y 381 " (cutoff:3.500A) removed outlier: 6.077A pdb=" N ASP y 381 " --> pdb=" O VAL y 363 " (cutoff:3.500A) Processing sheet with id= 57, first strand: chain 'y' and resid 38 through 41 removed outlier: 6.390A pdb=" N ASP y 49 " --> pdb=" O SER y 41 " (cutoff:3.500A) removed outlier: 5.484A pdb=" N ASN y 83 " --> pdb=" O PHE y 52 " (cutoff:3.500A) removed outlier: 6.693A pdb=" N ARG y 86 " --> pdb=" O ALA y 77 " (cutoff:3.500A) removed outlier: 6.163A pdb=" N VAL y 73 " --> pdb=" O MET y 90 " (cutoff:3.500A) removed outlier: 4.670A pdb=" N LEU y 72 " --> pdb=" O VAL y 65 " (cutoff:3.500A) removed outlier: 4.447A pdb=" N SER y 61 " --> pdb=" O VAL y 76 " (cutoff:3.500A) removed outlier: 7.037A pdb=" N SER y 62 " --> pdb=" O THR y 105 " (cutoff:3.500A) Processing sheet with id= 58, first strand: chain 'y' and resid 37 through 40 removed outlier: 4.460A pdb=" N GLN y 100 " --> pdb=" O VAL y 40 " (cutoff:3.500A) Processing sheet with id= 59, first strand: chain 'Z' and resid 109 through 113 removed outlier: 7.180A pdb=" N ILE Z 109 " --> pdb=" O ILE Z 143 " (cutoff:3.500A) Processing sheet with id= 60, first strand: chain 'Z' and resid 119 through 123 removed outlier: 4.476A pdb=" N ARG Z 120 " --> pdb=" O CYS Z 244 " (cutoff:3.500A) removed outlier: 7.582A pdb=" N LYS Z 243 " --> pdb=" O GLY Z 206 " (cutoff:3.500A) removed outlier: 4.328A pdb=" N PHE Z 207 " --> pdb=" O ASP Z 279 " (cutoff:3.500A) removed outlier: 3.603A pdb=" N VAL Z 284 " --> pdb=" O VAL Z 336 " (cutoff:3.500A) Processing sheet with id= 61, first strand: chain 'Z' and resid 179 through 183 removed outlier: 3.628A pdb=" N LEU Z 364 " --> pdb=" O PHE Z 182 " (cutoff:3.500A) Processing sheet with id= 62, first strand: chain 'Z' and resid 559 through 562 removed outlier: 4.286A pdb=" N LYS Z 566 " --> pdb=" O ASN Z 562 " (cutoff:3.500A) Processing sheet with id= 63, first strand: chain 'Z' and resid 38 through 41 removed outlier: 6.374A pdb=" N ASP Z 49 " --> pdb=" O SER Z 41 " (cutoff:3.500A) removed outlier: 6.597A pdb=" N ARG Z 86 " --> pdb=" O ALA Z 77 " (cutoff:3.500A) removed outlier: 6.273A pdb=" N VAL Z 73 " --> pdb=" O MET Z 90 " (cutoff:3.500A) removed outlier: 5.079A pdb=" N LEU Z 72 " --> pdb=" O VAL Z 65 " (cutoff:3.500A) removed outlier: 4.448A pdb=" N SER Z 61 " --> pdb=" O VAL Z 76 " (cutoff:3.500A) removed outlier: 6.754A pdb=" N SER Z 62 " --> pdb=" O THR Z 105 " (cutoff:3.500A) removed outlier: 4.457A pdb=" N LYS Z 101 " --> pdb=" O GLU Z 66 " (cutoff:3.500A) Processing sheet with id= 64, first strand: chain 'Z' and resid 37 through 40 removed outlier: 4.535A pdb=" N GLN Z 100 " --> pdb=" O VAL Z 40 " (cutoff:3.500A) Processing sheet with id= 65, first strand: chain 'z' and resid 109 through 113 removed outlier: 7.180A pdb=" N ILE z 109 " --> pdb=" O ILE z 143 " (cutoff:3.500A) Processing sheet with id= 66, first strand: chain 'z' and resid 119 through 123 removed outlier: 4.476A pdb=" N ARG z 120 " --> pdb=" O CYS z 244 " (cutoff:3.500A) removed outlier: 7.582A pdb=" N LYS z 243 " --> pdb=" O GLY z 206 " (cutoff:3.500A) removed outlier: 4.328A pdb=" N PHE z 207 " --> pdb=" O ASP z 279 " (cutoff:3.500A) removed outlier: 3.603A pdb=" N VAL z 284 " --> pdb=" O VAL z 336 " (cutoff:3.500A) Processing sheet with id= 67, first strand: chain 'z' and resid 179 through 183 removed outlier: 3.628A pdb=" N LEU z 364 " --> pdb=" O PHE z 182 " (cutoff:3.500A) Processing sheet with id= 68, first strand: chain 'z' and resid 559 through 562 removed outlier: 4.286A pdb=" N LYS z 566 " --> pdb=" O ASN z 562 " (cutoff:3.500A) Processing sheet with id= 69, first strand: chain 'z' and resid 38 through 41 removed outlier: 6.374A pdb=" N ASP z 49 " --> pdb=" O SER z 41 " (cutoff:3.500A) removed outlier: 6.597A pdb=" N ARG z 86 " --> pdb=" O ALA z 77 " (cutoff:3.500A) removed outlier: 6.273A pdb=" N VAL z 73 " --> pdb=" O MET z 90 " (cutoff:3.500A) removed outlier: 5.079A pdb=" N LEU z 72 " --> pdb=" O VAL z 65 " (cutoff:3.500A) removed outlier: 4.448A pdb=" N SER z 61 " --> pdb=" O VAL z 76 " (cutoff:3.500A) removed outlier: 6.754A pdb=" N SER z 62 " --> pdb=" O THR z 105 " (cutoff:3.500A) removed outlier: 4.457A pdb=" N LYS z 101 " --> pdb=" O GLU z 66 " (cutoff:3.500A) Processing sheet with id= 70, first strand: chain 'z' and resid 37 through 40 removed outlier: 4.535A pdb=" N GLN z 100 " --> pdb=" O VAL z 40 " (cutoff:3.500A) 5692 hydrogen bonds defined for protein. 17022 hydrogen bond angles defined for protein. Restraints generated for nucleic acids: 0 hydrogen bonds 0 hydrogen bond angles 0 basepair planarities 0 basepair parallelities 0 stacking parallelities Total time for adding SS restraints: 39.47 Time building geometry restraints manager: 32.83 seconds NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Histogram of bond lengths: 1.20 - 1.32: 22922 1.32 - 1.45: 23414 1.45 - 1.57: 62486 1.57 - 1.69: 42 1.69 - 1.81: 508 Bond restraints: 109372 Sorted by residual: bond pdb=" C4 ATP U1001 " pdb=" C5 ATP U1001 " ideal model delta sigma weight residual 1.388 1.456 -0.068 1.00e-02 1.00e+04 4.59e+01 bond pdb=" C4 ATP v1001 " pdb=" C5 ATP v1001 " ideal model delta sigma weight residual 1.388 1.456 -0.068 1.00e-02 1.00e+04 4.59e+01 bond pdb=" C4 ATP V1000 " pdb=" C5 ATP V1000 " ideal model delta sigma weight residual 1.388 1.455 -0.067 1.00e-02 1.00e+04 4.47e+01 bond pdb=" C4 ATP w1000 " pdb=" C5 ATP w1000 " ideal model delta sigma weight residual 1.388 1.455 -0.067 1.00e-02 1.00e+04 4.47e+01 bond pdb=" C4 ATP T1001 " pdb=" C5 ATP T1001 " ideal model delta sigma weight residual 1.388 1.452 -0.064 1.00e-02 1.00e+04 4.08e+01 ... (remaining 109367 not shown) Histogram of bond angle deviations from ideal: 95.72 - 103.77: 1506 103.77 - 111.81: 50540 111.81 - 119.85: 48354 119.85 - 127.90: 47142 127.90 - 135.94: 780 Bond angle restraints: 148322 Sorted by residual: angle pdb=" PB ATP w1000 " pdb=" O3B ATP w1000 " pdb=" PG ATP w1000 " ideal model delta sigma weight residual 139.87 123.33 16.54 1.00e+00 1.00e+00 2.74e+02 angle pdb=" PB ATP V1000 " pdb=" O3B ATP V1000 " pdb=" PG ATP V1000 " ideal model delta sigma weight residual 139.87 123.33 16.54 1.00e+00 1.00e+00 2.74e+02 angle pdb=" PB ATP U1001 " pdb=" O3B ATP U1001 " pdb=" PG ATP U1001 " ideal model delta sigma weight residual 139.87 126.34 13.53 1.00e+00 1.00e+00 1.83e+02 angle pdb=" PB ATP v1001 " pdb=" O3B ATP v1001 " pdb=" PG ATP v1001 " ideal model delta sigma weight residual 139.87 126.34 13.53 1.00e+00 1.00e+00 1.83e+02 angle pdb=" PA ATP u1001 " pdb=" O3A ATP u1001 " pdb=" PB ATP u1001 " ideal model delta sigma weight residual 136.83 123.72 13.11 1.00e+00 1.00e+00 1.72e+02 ... (remaining 148317 not shown) Histogram of dihedral angle deviations from ideal: 0.00 - 32.42: 64244 32.42 - 64.85: 1496 64.85 - 97.27: 118 97.27 - 129.69: 2 129.69 - 162.12: 4 Dihedral angle restraints: 65864 sinusoidal: 25148 harmonic: 40716 Sorted by residual: dihedral pdb=" CA ALA X 307 " pdb=" C ALA X 307 " pdb=" N VAL X 308 " pdb=" CA VAL X 308 " ideal model delta harmonic sigma weight residual -180.00 -122.79 -57.21 0 5.00e+00 4.00e-02 1.31e+02 dihedral pdb=" CA ALA x 307 " pdb=" C ALA x 307 " pdb=" N VAL x 308 " pdb=" CA VAL x 308 " ideal model delta harmonic sigma weight residual 180.00 -122.79 -57.21 0 5.00e+00 4.00e-02 1.31e+02 dihedral pdb=" CA ALA Z 307 " pdb=" C ALA Z 307 " pdb=" N VAL Z 308 " pdb=" CA VAL Z 308 " ideal model delta harmonic sigma weight residual -180.00 -123.32 -56.68 0 5.00e+00 4.00e-02 1.29e+02 ... (remaining 65861 not shown) Histogram of chiral volume deviations from ideal: 0.000 - 0.088: 14376 0.088 - 0.177: 2744 0.177 - 0.265: 226 0.265 - 0.354: 24 0.354 - 0.442: 8 Chirality restraints: 17378 Sorted by residual: chirality pdb=" CB VAL v 180 " pdb=" CA VAL v 180 " pdb=" CG1 VAL v 180 " pdb=" CG2 VAL v 180 " both_signs ideal model delta sigma weight residual False -2.63 -2.19 -0.44 2.00e-01 2.50e+01 4.88e+00 chirality pdb=" CB VAL U 180 " pdb=" CA VAL U 180 " pdb=" CG1 VAL U 180 " pdb=" CG2 VAL U 180 " both_signs ideal model delta sigma weight residual False -2.63 -2.19 -0.44 2.00e-01 2.50e+01 4.88e+00 chirality pdb=" CB VAL u 180 " pdb=" CA VAL u 180 " pdb=" CG1 VAL u 180 " pdb=" CG2 VAL u 180 " both_signs ideal model delta sigma weight residual False -2.63 -2.21 -0.42 2.00e-01 2.50e+01 4.45e+00 ... (remaining 17375 not shown) Planarity restraints: 19020 Sorted by residual: delta sigma weight rms_deltas residual plane pdb=" CA ALA Y 503 " 0.030 2.00e-02 2.50e+03 5.92e-02 3.50e+01 pdb=" C ALA Y 503 " -0.102 2.00e-02 2.50e+03 pdb=" O ALA Y 503 " 0.038 2.00e-02 2.50e+03 pdb=" N LYS Y 504 " 0.034 2.00e-02 2.50e+03 delta sigma weight rms_deltas residual plane pdb=" CA ALA y 503 " 0.030 2.00e-02 2.50e+03 5.92e-02 3.50e+01 pdb=" C ALA y 503 " -0.102 2.00e-02 2.50e+03 pdb=" O ALA y 503 " 0.038 2.00e-02 2.50e+03 pdb=" N LYS y 504 " 0.034 2.00e-02 2.50e+03 delta sigma weight rms_deltas residual plane pdb=" C LEU a 31 " 0.058 5.00e-02 4.00e+02 8.55e-02 1.17e+01 pdb=" N PRO a 32 " -0.148 5.00e-02 4.00e+02 pdb=" CA PRO a 32 " 0.043 5.00e-02 4.00e+02 pdb=" CD PRO a 32 " 0.048 5.00e-02 4.00e+02 ... (remaining 19017 not shown) Histogram of nonbonded interaction distances: 0.78 - 1.60: 4 1.60 - 2.43: 424 2.43 - 3.25: 107849 3.25 - 4.08: 280383 4.08 - 4.90: 539553 Warning: very small nonbonded interaction distances. Nonbonded interactions: 928213 Sorted by model distance: nonbonded pdb=" CD1 ILE 8 77 " pdb=" CD2 HIS K 79 " model vdw 0.776 3.680 nonbonded pdb=" CD2 HIS 0 79 " pdb=" CD1 ILE d 77 " model vdw 0.776 3.680 nonbonded pdb=" CD1 ILE 8 77 " pdb=" CG HIS K 79 " model vdw 1.539 3.680 nonbonded pdb=" CG HIS 0 79 " pdb=" CD1 ILE d 77 " model vdw 1.539 3.680 nonbonded pdb=" CD1 ILE 8 77 " pdb=" NE2 HIS K 79 " model vdw 1.675 3.540 ... (remaining 928208 not shown) NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Find NCS groups from input model Found NCS groups: ncs_group { reference = chain '0' selection = chain 'K' } ncs_group { reference = chain '1' selection = chain 'L' } ncs_group { reference = chain '2' selection = chain 'N' } ncs_group { reference = chain '3' selection = chain 'O' } ncs_group { reference = chain '4' selection = chain 'W' } ncs_group { reference = chain '5' selection = chain 'a' } ncs_group { reference = chain '6' selection = chain 'b' } ncs_group { reference = chain '7' selection = chain 'c' } ncs_group { reference = chain '8' selection = chain 'd' } ncs_group { reference = chain '9' selection = chain 'e' } ncs_group { reference = chain 'A' selection = chain 'B' selection = chain 'C' selection = chain 'D' selection = chain 'E' selection = chain 'F' selection = chain 'G' selection = chain 'H' selection = chain 'I' selection = chain 'J' selection = chain 'f' selection = chain 'g' selection = chain 'h' selection = chain 'i' selection = chain 'j' selection = chain 'k' selection = chain 'l' selection = chain 'm' selection = chain 'n' selection = chain 'o' } ncs_group { reference = chain 'M' selection = chain 'p' } ncs_group { reference = chain 'P' selection = chain 'q' } ncs_group { reference = chain 'Q' selection = chain 'r' } ncs_group { reference = chain 'R' selection = chain 's' } ncs_group { reference = chain 'S' selection = chain 't' } ncs_group { reference = (chain 'T' and (resid 43 through 562 or resid 1001 through 1002)) selection = (chain 'U' and (resid 43 through 561 or (resid 562 and (name N or name CA or nam \ e C or name O or name CB )) or resid 1001 through 1002)) selection = (chain 'V' and (resid 43 through 561 or (resid 562 and (name N or name CA or nam \ e C or name O or name CB )) or resid 1000 through 1001)) selection = (chain 'u' and (resid 43 through 562 or resid 1001 through 1002)) selection = (chain 'v' and (resid 43 through 561 or (resid 562 and (name N or name CA or nam \ e C or name O or name CB )) or resid 1001 through 1002)) selection = (chain 'w' and (resid 43 through 561 or (resid 562 and (name N or name CA or nam \ e C or name O or name CB )) or resid 1000 through 1001)) } ncs_group { reference = (chain 'X' and resid 37 through 556) selection = (chain 'Y' and resid 37 through 556) selection = (chain 'Z' and resid 37 through 556) selection = (chain 'x' and resid 37 through 556) selection = (chain 'y' and resid 37 through 556) selection = (chain 'z' and resid 37 through 556) } Set up NCS constraints No NCS constraints will be used in refinement. Set refine NCS operators Adjust number of macro_cycles Number of macro_cycles: 10 Reset NCS operators Extract rigid body selections Check and reset occupancies Occupancies: min=1.00 max=1.00 mean=1.00 Load rotamer database and sin/cos tables Set ADP refinement strategy ADPs will be refined as individual isotropic Make a string to write initial .geo file Internal consistency checks Time: Set random seed: 0.000 Set model cs if undefined: 0.000 Decide on map wrapping: 0.000 Normalize map: mean=0, sd=1: 3.710 Set stop_for_unknowns flag: 0.000 Assert model is a single copy model: 0.000 Assert all atoms have isotropic ADPs: 0.000 Construct map_model_manager: 0.060 Extract box with map and model: 28.820 Check model and map are aligned: 1.120 Set scattering table: 0.690 Process input model: 226.660 Find NCS groups from input model: 6.340 Set up NCS constraints: 1.070 Set refine NCS operators: 0.000 Adjust number of macro_cycles: 0.000 Reset NCS operators: 0.000 Extract rigid body selections: 0.000 Check and reset occupancies: 0.020 Load rotamer database and sin/cos tables:8.790 Set ADP refinement strategy: 0.000 Make a string to write initial .geo file:0.000 Internal consistency checks: 0.000 Total: 277.280 ------------------------------------------------------------------------------- Set refinement monitor ********************** ------------------------------------------------------------------------------- Setup refinement engine *********************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8036 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 : 0.014 0.144 109372 Z= 0.934 Angle : 1.115 16.539 148322 Z= 0.619 Chirality : 0.069 0.442 17378 Planarity : 0.008 0.086 19020 Dihedral : 14.225 162.116 39692 Min Nonbonded Distance : 0.776 Molprobity Statistics. All-atom Clashscore : 6.62 Ramachandran Plot: Outliers : 0.24 % Allowed : 4.73 % Favored : 95.03 % Rotamer Outliers : 0.69 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 2.05 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.10 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -5.13 (0.05), residues: 14076 helix: -4.32 (0.03), residues: 7702 sheet: -1.38 (0.13), residues: 1314 loop : -1.98 (0.08), residues: 5060 *********************** REFINEMENT MACRO_CYCLE 1 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 28152 Ramachandran restraints generated. 14076 Oldfield, 0 Emsley, 14076 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 28152 Ramachandran restraints generated. 14076 Oldfield, 0 Emsley, 14076 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 2040 residues out of total 11272 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 78 poor density : 1962 time to evaluate : 9.446 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: 78 outliers final: 30 residues processed: 2017 average time/residue: 1.6751 time to fit residues: 4711.9444 Evaluate side-chains 1254 residues out of total 11272 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 30 poor density : 1224 time to evaluate : 8.254 Switching outliers to nearest non-outliers outliers start: 30 outliers final: 26 residues processed: 5 average time/residue: 0.6592 time to fit residues: 17.4082 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=5.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1396 random chunks: chunk 1178 optimal weight: 3.9990 chunk 1058 optimal weight: 0.0370 chunk 587 optimal weight: 0.4980 chunk 361 optimal weight: 1.9990 chunk 713 optimal weight: 0.3980 chunk 565 optimal weight: 2.9990 chunk 1094 optimal weight: 0.5980 chunk 423 optimal weight: 2.9990 chunk 665 optimal weight: 1.9990 chunk 814 optimal weight: 0.0060 chunk 1267 optimal weight: 0.8980 overall best weight: 0.3074 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: 0 44 ASN 0 60 GLN 1 48 ASN 1 100 GLN 1 257 HIS 1 298 GLN 1 316 ASN 1 527 GLN 1 587 ASN 1 590 HIS 2 68 ASN 2 122 ASN 2 243 GLN 2 289 HIS 3 151 ASN 3 206 ASN 3 256 GLN 3 269 GLN 4 124 ASN 4 135 ASN 4 240 GLN 5 29 GLN 5 59 ASN 5 107 ASN 6 40 ASN 6 74 GLN ** 7 60 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 7 86 HIS 7 98 ASN 7 123 HIS 7 170 HIS 7 184 ASN 8 26 HIS 9 35 GLN ** 9 50 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 94 ASN A 98 GLN ** B 92 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B 94 ASN C 92 ASN C 94 ASN F 98 GLN G 94 ASN H 94 ASN J 98 GLN M 108 ASN M 163 ASN P 223 ASN ** Q 40 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 46 HIS R 38 ASN R 73 ASN R 85 GLN R 110 GLN ** R 171 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** S 96 ASN ** S 174 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** S 186 ASN S 188 GLN ** S 250 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** S 262 ASN T 64 GLN T 104 GLN T 134 ASN T 241 HIS T 264 GLN T 386 GLN T 435 GLN ** T 441 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** U 246 ASN U 248 GLN U 319 HIS U 386 GLN ** U 497 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** U 527 GLN U 529 ASN ** U 539 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 61 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 121 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** V 126 HIS V 139 HIS V 152 ASN V 244 ASN V 264 GLN V 271 GLN V 441 GLN V 486 GLN V 488 GLN V 497 GLN V 529 ASN V 539 ASN X 199 ASN X 278 GLN X 337 GLN X 398 ASN X 408 GLN X 574 ASN Y 83 ASN Y 174 GLN Y 241 ASN Y 398 ASN Z 144 HIS Z 198 ASN Z 199 ASN Z 241 ASN Z 278 GLN Z 337 GLN Z 408 GLN Z 440 GLN Z 574 ASN K 44 ASN K 60 GLN L 100 GLN L 257 HIS L 298 GLN L 316 ASN L 365 GLN L 482 ASN L 527 GLN L 587 ASN L 590 HIS ** N 68 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** N 122 ASN N 243 GLN N 289 HIS ** N 380 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** O 189 HIS O 206 ASN ** O 229 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** O 256 GLN O 269 GLN W 52 GLN W 135 ASN W 240 GLN ** W 245 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** a 29 GLN a 59 ASN a 107 ASN b 40 ASN b 74 GLN b 97 HIS ** c 60 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** c 86 HIS c 98 ASN c 123 HIS c 170 HIS c 184 ASN ** d 26 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** e 35 GLN f 94 ASN ** f 98 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 92 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** g 94 ASN g 98 GLN h 92 ASN h 94 ASN h 98 GLN i 92 ASN k 98 GLN l 92 ASN l 94 ASN m 94 ASN o 98 GLN p 108 ASN p 163 ASN q 52 GLN r 21 ASN r 29 ASN r 46 HIS s 38 ASN s 73 ASN ** s 78 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** s 137 HIS ** s 171 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** t 96 ASN t 159 GLN ** t 174 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** t 188 GLN ** t 250 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** t 262 ASN u 64 GLN u 104 GLN ** u 121 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** u 134 ASN u 264 GLN u 435 GLN ** u 441 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** u 549 HIS v 61 HIS v 83 HIS ** v 152 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** v 246 ASN v 248 GLN v 319 HIS v 386 GLN ** v 497 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** v 529 ASN w 61 HIS ** w 121 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** w 126 HIS w 139 HIS w 241 HIS w 244 ASN w 264 GLN w 271 GLN ** w 358 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 441 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 486 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** w 488 GLN w 497 GLN x 199 ASN x 278 GLN x 337 GLN x 398 ASN x 408 GLN x 574 ASN y 83 ASN y 174 GLN y 241 ASN y 398 ASN y 408 GLN y 448 GLN z 198 ASN z 199 ASN z 241 ASN ** z 250 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** z 278 GLN z 404 GLN z 408 GLN z 574 ASN Total number of N/Q/H flips: 197 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7978 moved from start: 0.1689 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.007 0.276 109372 Z= 0.466 Angle : 1.359 39.580 148322 Z= 0.694 Chirality : 0.077 3.227 17378 Planarity : 0.016 0.502 19020 Dihedral : 8.114 161.058 15154 Min Nonbonded Distance : 1.919 Molprobity Statistics. All-atom Clashscore : 12.12 Ramachandran Plot: Outliers : 0.54 % Allowed : 5.17 % Favored : 94.29 % Rotamer Outliers : 4.26 % Cbeta Deviations : 0.14 % Peptide Plane: Cis-proline : 2.05 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.17 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -3.66 (0.06), residues: 14076 helix: -2.66 (0.04), residues: 7738 sheet: -1.49 (0.14), residues: 1268 loop : -1.94 (0.08), residues: 5070 *********************** REFINEMENT MACRO_CYCLE 2 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 28152 Ramachandran restraints generated. 14076 Oldfield, 0 Emsley, 14076 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 28152 Ramachandran restraints generated. 14076 Oldfield, 0 Emsley, 14076 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1909 residues out of total 11272 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 480 poor density : 1429 time to evaluate : 9.285 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 480 outliers final: 136 residues processed: 1731 average time/residue: 1.6306 time to fit residues: 4031.9992 Evaluate side-chains 1304 residues out of total 11272 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 136 poor density : 1168 time to evaluate : 9.310 Switching outliers to nearest non-outliers outliers start: 136 outliers final: 100 residues processed: 38 average time/residue: 1.1013 time to fit residues: 81.0321 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1396 random chunks: chunk 704 optimal weight: 0.7980 chunk 393 optimal weight: 5.9990 chunk 1055 optimal weight: 0.8980 chunk 863 optimal weight: 0.9990 chunk 349 optimal weight: 10.0000 chunk 1270 optimal weight: 0.8980 chunk 1371 optimal weight: 0.6980 chunk 1131 optimal weight: 1.9990 chunk 1259 optimal weight: 2.9990 chunk 432 optimal weight: 1.9990 chunk 1018 optimal weight: 8.9990 overall best weight: 0.8582 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: 0 44 ASN 1 65 GLN 1 285 GLN 1 482 ASN 1 562 ASN 3 256 GLN 4 124 ASN 5 59 ASN ** 7 60 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A 98 GLN ** B 92 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B 94 ASN B 98 GLN D 92 ASN F 98 GLN R 110 GLN ** R 171 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 174 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 250 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** T 134 ASN T 441 GLN U 61 HIS U 121 ASN U 196 GLN ** U 497 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** U 529 ASN ** U 539 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** V 61 HIS ** V 121 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** V 241 HIS V 539 ASN X 278 GLN ** X 396 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 286 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Z 294 ASN Z 337 GLN Z 440 GLN Z 448 GLN K 44 ASN L 48 ASN L 65 GLN L 206 GLN L 285 GLN L 365 GLN L 562 ASN N 68 ASN O 229 ASN O 256 GLN O 269 GLN a 59 ASN b 93 GLN d 26 HIS f 92 ASN f 98 GLN g 92 ASN g 94 ASN h 98 GLN i 92 ASN j 92 ASN q 140 ASN r 29 ASN s 78 HIS ** s 171 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** t 70 ASN ** t 174 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 250 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** u 386 GLN ** u 441 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** v 152 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** v 196 GLN ** v 358 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** v 497 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** v 529 ASN w 61 HIS w 104 GLN ** w 121 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** w 253 GLN w 386 GLN w 435 GLN ** w 441 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 486 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** w 488 GLN x 278 GLN ** y 157 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** y 448 GLN z 144 HIS z 198 ASN z 250 GLN z 286 ASN z 294 ASN z 337 GLN Total number of N/Q/H flips: 70 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8015 moved from start: 0.2485 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.003 0.059 109372 Z= 0.214 Angle : 0.617 15.233 148322 Z= 0.321 Chirality : 0.043 0.346 17378 Planarity : 0.005 0.068 19020 Dihedral : 6.468 172.151 15154 Min Nonbonded Distance : 1.955 Molprobity Statistics. All-atom Clashscore : 10.05 Ramachandran Plot: Outliers : 0.14 % Allowed : 3.53 % Favored : 96.33 % Rotamer Outliers : 2.92 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 2.05 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.04 % 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: -1.86 (0.07), residues: 14076 helix: -1.01 (0.06), residues: 7824 sheet: -1.24 (0.14), residues: 1296 loop : -1.31 (0.08), residues: 4956 *********************** REFINEMENT MACRO_CYCLE 3 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 28152 Ramachandran restraints generated. 14076 Oldfield, 0 Emsley, 14076 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 28152 Ramachandran restraints generated. 14076 Oldfield, 0 Emsley, 14076 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1791 residues out of total 11272 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 329 poor density : 1462 time to evaluate : 9.258 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 329 outliers final: 108 residues processed: 1694 average time/residue: 1.6415 time to fit residues: 3976.2238 Evaluate side-chains 1298 residues out of total 11272 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 108 poor density : 1190 time to evaluate : 8.370 Switching outliers to nearest non-outliers outliers start: 108 outliers final: 90 residues processed: 21 average time/residue: 1.1045 time to fit residues: 48.9853 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1396 random chunks: chunk 1254 optimal weight: 5.9990 chunk 954 optimal weight: 0.9990 chunk 659 optimal weight: 0.0980 chunk 140 optimal weight: 0.8980 chunk 606 optimal weight: 5.9990 chunk 852 optimal weight: 4.9990 chunk 1274 optimal weight: 0.6980 chunk 1349 optimal weight: 4.9990 chunk 665 optimal weight: 6.9990 chunk 1207 optimal weight: 2.9990 chunk 363 optimal weight: 10.0000 overall best weight: 1.1384 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: 0 44 ASN ** 3 229 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 256 GLN 3 269 GLN 4 124 ASN 5 59 ASN 7 24 GLN ** A 92 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 92 ASN C 98 GLN D 92 ASN D 98 GLN E 92 ASN P 83 GLN P 223 ASN R 110 GLN ** R 171 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 174 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** T 126 HIS T 134 ASN U 121 ASN U 497 GLN ** U 539 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** V 61 HIS ** V 121 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 152 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** V 435 GLN ** V 529 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** V 539 ASN X 574 ASN Z 198 ASN ** Z 286 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Z 398 ASN K 44 ASN ** K 79 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** L 48 ASN L 206 GLN L 209 ASN ** O 229 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** O 256 GLN O 269 GLN a 59 ASN f 92 ASN f 98 GLN g 98 GLN h 92 ASN i 92 ASN i 98 GLN k 98 GLN l 92 ASN ** o 92 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** q 140 ASN q 223 ASN s 110 GLN ** s 171 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 174 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 250 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** u 61 HIS u 126 HIS u 134 ASN u 241 HIS ** u 441 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** v 121 ASN v 149 GLN ** v 152 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** v 264 GLN ** v 358 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** v 497 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** w 61 HIS ** w 121 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** w 152 ASN ** w 441 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 486 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** w 515 GLN x 278 GLN ** x 396 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** x 574 ASN z 286 ASN z 398 ASN z 448 GLN Total number of N/Q/H flips: 57 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8058 moved from start: 0.3025 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.003 0.077 109372 Z= 0.226 Angle : 0.589 14.287 148322 Z= 0.303 Chirality : 0.043 0.263 17378 Planarity : 0.004 0.058 19020 Dihedral : 5.934 178.353 15154 Min Nonbonded Distance : 1.873 Molprobity Statistics. All-atom Clashscore : 9.74 Ramachandran Plot: Outliers : 0.13 % Allowed : 3.65 % Favored : 96.21 % Rotamer Outliers : 3.14 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 2.05 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.05 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -0.84 (0.07), residues: 14076 helix: -0.12 (0.06), residues: 7856 sheet: -0.99 (0.14), residues: 1262 loop : -0.93 (0.09), residues: 4958 *********************** REFINEMENT MACRO_CYCLE 4 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 28152 Ramachandran restraints generated. 14076 Oldfield, 0 Emsley, 14076 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 28152 Ramachandran restraints generated. 14076 Oldfield, 0 Emsley, 14076 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1660 residues out of total 11272 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 354 poor density : 1306 time to evaluate : 9.486 Fit side-chains revert: symmetry clash revert: symmetry clash outliers start: 354 outliers final: 149 residues processed: 1554 average time/residue: 1.6654 time to fit residues: 3694.3784 Evaluate side-chains 1310 residues out of total 11272 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 149 poor density : 1161 time to evaluate : 9.338 Switching outliers to nearest non-outliers outliers start: 149 outliers final: 116 residues processed: 36 average time/residue: 1.1153 time to fit residues: 77.9279 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=3.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1396 random chunks: chunk 1123 optimal weight: 10.0000 chunk 765 optimal weight: 0.7980 chunk 19 optimal weight: 0.6980 chunk 1004 optimal weight: 2.9990 chunk 556 optimal weight: 6.9990 chunk 1151 optimal weight: 4.9990 chunk 932 optimal weight: 0.8980 chunk 1 optimal weight: 0.0020 chunk 689 optimal weight: 0.9980 chunk 1211 optimal weight: 0.6980 chunk 340 optimal weight: 5.9990 overall best weight: 0.6188 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: 3 189 HIS ** 3 229 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 256 GLN 4 124 ASN 5 59 ASN 7 24 GLN A 92 ASN C 98 GLN D 98 GLN F 98 GLN G 92 ASN ** J 92 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** P 83 GLN P 223 ASN R 110 GLN ** R 171 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 174 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** T 134 ASN T 549 HIS U 527 GLN U 539 ASN V 61 HIS ** V 121 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 152 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** V 529 ASN Y 204 HIS Z 198 ASN ** Z 286 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Z 448 GLN ** L 365 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 229 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** O 256 GLN a 59 ASN c 24 GLN c 184 ASN f 92 ASN h 98 GLN i 92 ASN i 98 GLN j 92 ASN l 92 ASN n 98 GLN o 92 ASN q 140 ASN q 223 ASN s 110 GLN ** s 171 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** t 174 GLN ** t 250 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** u 61 HIS u 134 ASN u 441 GLN v 121 ASN v 149 GLN ** v 358 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** v 497 GLN v 527 GLN w 61 HIS ** w 121 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** w 152 ASN w 441 GLN ** w 486 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** x 398 ASN y 448 GLN z 286 ASN Total number of N/Q/H flips: 51 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8037 moved from start: 0.3343 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.003 0.093 109372 Z= 0.167 Angle : 0.547 13.167 148322 Z= 0.281 Chirality : 0.041 0.230 17378 Planarity : 0.004 0.061 19020 Dihedral : 5.568 179.899 15154 Min Nonbonded Distance : 1.916 Molprobity Statistics. All-atom Clashscore : 9.83 Ramachandran Plot: Outliers : 0.13 % Allowed : 3.50 % Favored : 96.38 % Rotamer Outliers : 2.75 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 2.05 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.06 % 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: -0.22 (0.07), residues: 14076 helix: 0.43 (0.06), residues: 7858 sheet: -0.87 (0.15), residues: 1256 loop : -0.70 (0.09), residues: 4962 *********************** REFINEMENT MACRO_CYCLE 5 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 28152 Ramachandran restraints generated. 14076 Oldfield, 0 Emsley, 14076 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 28152 Ramachandran restraints generated. 14076 Oldfield, 0 Emsley, 14076 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1627 residues out of total 11272 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 310 poor density : 1317 time to evaluate : 9.201 Fit side-chains revert: symmetry clash revert: symmetry clash outliers start: 310 outliers final: 151 residues processed: 1541 average time/residue: 1.6598 time to fit residues: 3658.3186 Evaluate side-chains 1299 residues out of total 11272 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 151 poor density : 1148 time to evaluate : 9.236 Switching outliers to nearest non-outliers outliers start: 151 outliers final: 124 residues processed: 31 average time/residue: 1.0436 time to fit residues: 66.8856 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=3.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1396 random chunks: chunk 453 optimal weight: 4.9990 chunk 1215 optimal weight: 2.9990 chunk 266 optimal weight: 3.9990 chunk 792 optimal weight: 0.6980 chunk 333 optimal weight: 8.9990 chunk 1350 optimal weight: 1.9990 chunk 1121 optimal weight: 7.9990 chunk 625 optimal weight: 0.8980 chunk 112 optimal weight: 9.9990 chunk 446 optimal weight: 3.9990 chunk 709 optimal weight: 0.7980 overall best weight: 1.4784 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: 1 365 GLN 1 394 GLN ** 3 229 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 256 GLN 4 124 ASN 5 59 ASN 7 24 GLN C 98 GLN D 98 GLN E 98 GLN G 92 ASN G 98 GLN ** J 92 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** P 83 GLN P 223 ASN R 110 GLN ** R 171 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 174 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** T 134 ASN T 549 HIS ** U 264 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 497 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** V 61 HIS ** V 121 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 152 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Z 286 ASN ** K 79 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 365 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L 394 GLN L 542 HIS ** O 229 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** O 256 GLN a 59 ASN c 24 GLN f 92 ASN i 92 ASN i 98 GLN l 92 ASN l 98 GLN ** m 92 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** o 92 ASN q 223 ASN r 40 GLN s 110 GLN ** s 171 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** u 61 HIS u 134 ASN ** u 529 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** v 149 GLN v 152 ASN ** v 358 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** w 61 HIS ** w 121 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 486 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** w 539 ASN y 448 GLN z 198 ASN z 286 ASN z 448 GLN Total number of N/Q/H flips: 42 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8090 moved from start: 0.3599 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.004 0.070 109372 Z= 0.254 Angle : 0.587 14.461 148322 Z= 0.301 Chirality : 0.044 0.229 17378 Planarity : 0.004 0.060 19020 Dihedral : 5.641 179.538 15154 Min Nonbonded Distance : 1.863 Molprobity Statistics. All-atom Clashscore : 9.92 Ramachandran Plot: Outliers : 0.14 % Allowed : 3.75 % Favored : 96.11 % Rotamer Outliers : 2.96 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 2.05 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.04 % 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: -0.02 (0.07), residues: 14076 helix: 0.58 (0.06), residues: 7896 sheet: -0.79 (0.15), residues: 1262 loop : -0.60 (0.09), residues: 4918 *********************** REFINEMENT MACRO_CYCLE 6 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 28152 Ramachandran restraints generated. 14076 Oldfield, 0 Emsley, 14076 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 28152 Ramachandran restraints generated. 14076 Oldfield, 0 Emsley, 14076 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1585 residues out of total 11272 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 333 poor density : 1252 time to evaluate : 9.303 Fit side-chains revert: symmetry clash outliers start: 333 outliers final: 163 residues processed: 1490 average time/residue: 1.6409 time to fit residues: 3484.3244 Evaluate side-chains 1311 residues out of total 11272 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 163 poor density : 1148 time to evaluate : 8.336 Switching outliers to nearest non-outliers outliers start: 163 outliers final: 125 residues processed: 42 average time/residue: 0.9556 time to fit residues: 77.7784 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=2.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1396 random chunks: chunk 1302 optimal weight: 1.9990 chunk 152 optimal weight: 0.0470 chunk 769 optimal weight: 1.9990 chunk 986 optimal weight: 2.9990 chunk 764 optimal weight: 0.9980 chunk 1136 optimal weight: 3.9990 chunk 754 optimal weight: 0.7980 chunk 1345 optimal weight: 1.9990 chunk 842 optimal weight: 0.3980 chunk 820 optimal weight: 0.7980 chunk 621 optimal weight: 0.7980 overall best weight: 0.5678 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: 0 44 ASN 1 394 GLN ** 2 344 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 164 ASN ** 3 229 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 256 GLN 4 124 ASN 5 59 ASN 7 24 GLN 7 184 ASN A 98 GLN C 92 ASN D 92 ASN D 98 GLN E 92 ASN E 98 GLN G 92 ASN ** J 92 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** J 98 GLN P 65 ASN P 83 GLN P 223 ASN ** Q 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** R 110 GLN ** R 171 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** S 174 GLN S 186 ASN T 134 ASN ** U 264 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 497 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** U 527 GLN U 539 ASN ** V 121 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 152 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** V 529 ASN X 398 ASN ** Z 286 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** K 79 HIS L 365 GLN L 394 GLN ** O 229 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** O 256 GLN a 59 ASN c 24 GLN f 92 ASN i 87 ASN i 92 ASN i 98 GLN k 98 GLN l 92 ASN ** m 92 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** m 98 GLN o 92 ASN r 49 GLN s 110 GLN ** s 171 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** u 61 HIS u 134 ASN u 549 HIS v 152 ASN w 61 HIS ** w 121 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 152 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 486 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** w 539 ASN y 448 GLN z 286 ASN z 448 GLN Total number of N/Q/H flips: 52 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8046 moved from start: 0.3843 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.002 0.038 109372 Z= 0.161 Angle : 0.545 15.776 148322 Z= 0.278 Chirality : 0.041 0.225 17378 Planarity : 0.004 0.098 19020 Dihedral : 5.375 179.737 15154 Min Nonbonded Distance : 1.927 Molprobity Statistics. All-atom Clashscore : 10.06 Ramachandran Plot: Outliers : 0.13 % Allowed : 3.47 % Favored : 96.41 % Rotamer Outliers : 2.43 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 2.05 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.04 % 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: 0.35 (0.07), residues: 14076 helix: 0.91 (0.06), residues: 7902 sheet: -0.70 (0.15), residues: 1276 loop : -0.48 (0.09), residues: 4898 *********************** REFINEMENT MACRO_CYCLE 7 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 28152 Ramachandran restraints generated. 14076 Oldfield, 0 Emsley, 14076 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 28152 Ramachandran restraints generated. 14076 Oldfield, 0 Emsley, 14076 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1568 residues out of total 11272 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 274 poor density : 1294 time to evaluate : 9.236 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 274 outliers final: 154 residues processed: 1503 average time/residue: 1.6590 time to fit residues: 3574.2249 Evaluate side-chains 1344 residues out of total 11272 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 154 poor density : 1190 time to evaluate : 9.266 Switching outliers to nearest non-outliers outliers start: 154 outliers final: 133 residues processed: 22 average time/residue: 1.0549 time to fit residues: 51.4888 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=2.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1396 random chunks: chunk 832 optimal weight: 4.9990 chunk 537 optimal weight: 2.9990 chunk 803 optimal weight: 3.9990 chunk 405 optimal weight: 0.3980 chunk 264 optimal weight: 0.9990 chunk 260 optimal weight: 5.9990 chunk 855 optimal weight: 3.9990 chunk 916 optimal weight: 0.8980 chunk 665 optimal weight: 0.7980 chunk 125 optimal weight: 2.9990 chunk 1057 optimal weight: 9.9990 overall best weight: 1.2184 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** 1 394 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 229 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 256 GLN 4 124 ASN 5 59 ASN 7 24 GLN 7 184 ASN E 98 GLN F 98 GLN G 92 ASN ** H 92 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** J 92 ASN J 98 GLN P 83 GLN ** Q 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 171 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** S 77 GLN S 186 ASN T 134 ASN U 179 ASN U 264 GLN ** U 497 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** V 61 HIS ** V 121 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 152 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** X 78 GLN Y 123 ASN Y 204 HIS Z 286 ASN Z 337 GLN Z 440 GLN K 56 GLN ** K 79 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 394 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 229 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** O 256 GLN a 59 ASN c 24 GLN g 98 GLN h 92 ASN i 92 ASN i 98 GLN l 92 ASN ** m 92 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** m 98 GLN o 92 ASN r 49 GLN ** s 171 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** u 61 HIS u 549 HIS w 61 HIS ** w 121 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 152 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 486 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** w 539 ASN y 448 GLN z 278 GLN z 286 ASN z 440 GLN Total number of N/Q/H flips: 43 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8080 moved from start: 0.3935 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.004 0.062 109372 Z= 0.227 Angle : 0.577 16.252 148322 Z= 0.294 Chirality : 0.043 0.247 17378 Planarity : 0.004 0.062 19020 Dihedral : 5.452 179.752 15154 Min Nonbonded Distance : 1.862 Molprobity Statistics. All-atom Clashscore : 10.22 Ramachandran Plot: Outliers : 0.13 % Allowed : 3.72 % Favored : 96.15 % Rotamer Outliers : 2.38 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 2.05 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.04 % 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: 0.41 (0.07), residues: 14076 helix: 0.97 (0.06), residues: 7898 sheet: -0.72 (0.14), residues: 1290 loop : -0.46 (0.09), residues: 4888 *********************** REFINEMENT MACRO_CYCLE 8 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 28152 Ramachandran restraints generated. 14076 Oldfield, 0 Emsley, 14076 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 28152 Ramachandran restraints generated. 14076 Oldfield, 0 Emsley, 14076 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1478 residues out of total 11272 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 268 poor density : 1210 time to evaluate : 9.369 Fit side-chains revert: symmetry clash outliers start: 268 outliers final: 153 residues processed: 1417 average time/residue: 1.6711 time to fit residues: 3398.1151 Evaluate side-chains 1310 residues out of total 11272 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 153 poor density : 1157 time to evaluate : 8.372 Switching outliers to nearest non-outliers outliers start: 153 outliers final: 130 residues processed: 25 average time/residue: 1.0255 time to fit residues: 53.7319 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1396 random chunks: chunk 1223 optimal weight: 6.9990 chunk 1289 optimal weight: 4.9990 chunk 1176 optimal weight: 0.7980 chunk 1253 optimal weight: 0.5980 chunk 1288 optimal weight: 4.9990 chunk 754 optimal weight: 3.9990 chunk 546 optimal weight: 2.9990 chunk 984 optimal weight: 0.8980 chunk 384 optimal weight: 2.9990 chunk 1133 optimal weight: 9.9990 chunk 1185 optimal weight: 0.9990 overall best weight: 1.2584 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** 1 394 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 344 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 229 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 256 GLN 4 124 ASN 5 59 ASN 7 24 GLN 9 50 ASN E 98 GLN G 92 ASN H 92 ASN J 92 ASN J 98 GLN P 83 GLN ** Q 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 171 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 174 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** S 186 ASN T 134 ASN T 405 GLN ** U 497 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** U 539 ASN V 61 HIS ** V 121 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 152 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 286 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** K 44 ASN K 79 HIS ** L 394 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 344 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 229 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** O 256 GLN a 59 ASN c 24 GLN f 92 ASN g 98 GLN i 92 ASN i 98 GLN l 92 ASN n 92 ASN o 92 ASN r 49 GLN ** s 171 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** u 549 HIS w 61 HIS ** w 121 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 152 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 486 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** w 539 ASN z 278 GLN z 286 ASN Total number of N/Q/H flips: 34 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8083 moved from start: 0.4060 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.004 0.059 109372 Z= 0.229 Angle : 0.579 15.914 148322 Z= 0.296 Chirality : 0.043 0.275 17378 Planarity : 0.004 0.089 19020 Dihedral : 5.474 179.675 15154 Min Nonbonded Distance : 1.865 Molprobity Statistics. All-atom Clashscore : 10.16 Ramachandran Plot: Outliers : 0.14 % Allowed : 3.66 % Favored : 96.20 % Rotamer Outliers : 2.11 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 2.05 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.04 % 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: 0.50 (0.07), residues: 14076 helix: 1.05 (0.06), residues: 7902 sheet: -0.68 (0.14), residues: 1278 loop : -0.42 (0.09), residues: 4896 *********************** REFINEMENT MACRO_CYCLE 9 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 28152 Ramachandran restraints generated. 14076 Oldfield, 0 Emsley, 14076 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 28152 Ramachandran restraints generated. 14076 Oldfield, 0 Emsley, 14076 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1451 residues out of total 11272 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 238 poor density : 1213 time to evaluate : 9.604 Fit side-chains revert: symmetry clash outliers start: 238 outliers final: 160 residues processed: 1398 average time/residue: 1.6612 time to fit residues: 3330.4451 Evaluate side-chains 1313 residues out of total 11272 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 160 poor density : 1153 time to evaluate : 9.229 Switching outliers to nearest non-outliers outliers start: 160 outliers final: 142 residues processed: 20 average time/residue: 1.0798 time to fit residues: 48.5270 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1396 random chunks: chunk 1249 optimal weight: 5.9990 chunk 823 optimal weight: 0.9980 chunk 1325 optimal weight: 4.9990 chunk 809 optimal weight: 9.9990 chunk 628 optimal weight: 2.9990 chunk 921 optimal weight: 0.8980 chunk 1390 optimal weight: 3.9990 chunk 1280 optimal weight: 0.6980 chunk 1107 optimal weight: 0.5980 chunk 114 optimal weight: 1.9990 chunk 855 optimal weight: 3.9990 overall best weight: 1.0382 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: 0 56 GLN ** 1 394 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 229 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 256 GLN 4 124 ASN 5 59 ASN 7 24 GLN 9 50 ASN E 98 GLN G 92 ASN ** Q 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 171 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** T 134 ASN ** U 497 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** U 527 GLN ** V 121 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 152 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** V 529 ASN Z 286 ASN K 79 HIS ** L 394 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 229 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** O 256 GLN a 59 ASN c 24 GLN h 92 ASN i 92 ASN i 98 GLN l 92 ASN l 98 GLN n 92 ASN ** o 92 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** o 98 GLN r 49 GLN ** s 171 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** u 549 HIS w 61 HIS ** w 121 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 152 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 486 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** w 539 ASN z 286 ASN Total number of N/Q/H flips: 28 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8076 moved from start: 0.4165 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.003 0.053 109372 Z= 0.206 Angle : 0.574 17.081 148322 Z= 0.293 Chirality : 0.043 0.289 17378 Planarity : 0.004 0.072 19020 Dihedral : 5.413 179.708 15154 Min Nonbonded Distance : 1.879 Molprobity Statistics. All-atom Clashscore : 10.28 Ramachandran Plot: Outliers : 0.13 % Allowed : 3.64 % Favored : 96.23 % Rotamer Outliers : 1.82 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 2.05 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.04 % 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: 0.61 (0.07), residues: 14076 helix: 1.13 (0.06), residues: 7918 sheet: -0.71 (0.15), residues: 1258 loop : -0.35 (0.09), residues: 4900 ********************** REFINEMENT MACRO_CYCLE 10 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 28152 Ramachandran restraints generated. 14076 Oldfield, 0 Emsley, 14076 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 28152 Ramachandran restraints generated. 14076 Oldfield, 0 Emsley, 14076 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1401 residues out of total 11272 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 205 poor density : 1196 time to evaluate : 8.501 Fit side-chains revert: symmetry clash outliers start: 205 outliers final: 161 residues processed: 1360 average time/residue: 1.6309 time to fit residues: 3189.4413 Evaluate side-chains 1323 residues out of total 11272 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 161 poor density : 1162 time to evaluate : 8.324 Switching outliers to nearest non-outliers outliers start: 161 outliers final: 144 residues processed: 19 average time/residue: 0.9778 time to fit residues: 43.4445 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1396 random chunks: chunk 679 optimal weight: 0.4980 chunk 879 optimal weight: 1.9990 chunk 1179 optimal weight: 3.9990 chunk 339 optimal weight: 10.0000 chunk 1021 optimal weight: 0.9990 chunk 163 optimal weight: 0.7980 chunk 307 optimal weight: 0.7980 chunk 1109 optimal weight: 0.8980 chunk 464 optimal weight: 0.8980 chunk 1139 optimal weight: 1.9990 chunk 140 optimal weight: 2.9990 overall best weight: 0.7780 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** 1 394 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 344 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 229 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 256 GLN 4 124 ASN 5 59 ASN 7 184 ASN 9 50 ASN E 98 GLN G 92 ASN H 92 ASN J 98 GLN ** Q 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 171 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** T 134 ASN ** U 497 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** U 539 ASN ** V 121 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 152 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Z 286 ASN K 79 HIS ** L 394 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 229 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** O 256 GLN a 59 ASN c 24 GLN i 98 GLN l 98 GLN ** n 92 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 92 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** o 98 GLN r 49 GLN ** s 171 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** u 549 HIS w 61 HIS ** w 121 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 152 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 486 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 539 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** z 286 ASN Total number of N/Q/H flips: 23 ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.3593 r_free = 0.3593 target = 0.133811 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 34)----------------| | r_work = 0.3177 r_free = 0.3177 target = 0.101955 restraints weight = 139276.366| |-----------------------------------------------------------------------------| r_work (start): 0.3081 rms_B_bonded: 1.91 r_work: 0.2821 rms_B_bonded: 2.26 restraints_weight: 0.5000 r_work: 0.2690 rms_B_bonded: 3.66 restraints_weight: 0.2500 r_work (final): 0.2690 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8443 moved from start: 0.4257 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.003 0.044 109372 Z= 0.180 Angle : 0.560 12.183 148322 Z= 0.286 Chirality : 0.042 0.277 17378 Planarity : 0.004 0.075 19020 Dihedral : 5.330 179.871 15154 Min Nonbonded Distance : 1.900 Molprobity Statistics. All-atom Clashscore : 10.11 Ramachandran Plot: Outliers : 0.12 % Allowed : 3.57 % Favored : 96.31 % Rotamer Outliers : 1.70 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 2.05 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.04 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 0.72 (0.07), residues: 14076 helix: 1.23 (0.06), residues: 7936 sheet: -0.68 (0.14), residues: 1278 loop : -0.31 (0.09), residues: 4862 =============================================================================== Job complete usr+sys time: 47231.31 seconds wall clock time: 814 minutes 38.16 seconds (48878.16 seconds total)