Starting phenix.real_space_refine (version: 1.21rc1) on Sun Jul 16 10:23:55 2023 by dcliebschner =============================================================================== Processing files: ------------------------------------------------------------------------------- Found model, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7am2_11821/07_2023/7am2_11821_trim_updated.pdb Found real_map, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7am2_11821/07_2023/7am2_11821.map Processing PHIL parameters: ------------------------------------------------------------------------------- Adding command-line PHIL: ------------------------- refinement.macro_cycles=10 scattering_table=electron resolution=3.4 write_initial_geo_file=False Final processed PHIL parameters: ------------------------------------------------------------------------------- data_manager { real_map_files = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7am2_11821/07_2023/7am2_11821.map" default_real_map = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7am2_11821/07_2023/7am2_11821.map" model { file = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7am2_11821/07_2023/7am2_11821_trim_updated.pdb" } default_model = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7am2_11821/07_2023/7am2_11821_trim_updated.pdb" } resolution = 3.4 write_initial_geo_file = False refinement { macro_cycles = 10 } Starting job =============================================================================== ------------------------------------------------------------------------------- Citation: ********* Afonine PV, Poon BK, Read RJ, Sobolev OV, Terwilliger TC, Urzhumtsev A, Adams PD. (2018) Real-space refinement in PHENIX for cryo-EM and crystallography. Acta Cryst. D74:531-544. Validating inputs ------------------------------------------------------------------------------- Processing inputs ***************** Set random seed Set to: 0 Set model cs if undefined Decide on map wrapping Map wrapping is set to: False Normalize map: mean=0, sd=1 Input map: mean= -0.000 sd= 0.013 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: 5 Type Number sf(0) Gaussians P 842 5.49 5 S 546 5.16 5 C 85031 2.51 5 N 25119 2.21 5 O 27985 1.98 5 sf(0) = scattering factor at diffraction angle 0. Process input model Symmetric amino acids flipped Residue "A ARG 36": "NH1" <-> "NH2" Residue "A GLU 43": "OE1" <-> "OE2" Residue "A GLU 76": "OE1" <-> "OE2" Residue "A ARG 99": "NH1" <-> "NH2" Residue "A GLU 122": "OE1" <-> "OE2" Residue "A GLU 188": "OE1" <-> "OE2" Residue "A GLU 236": "OE1" <-> "OE2" Residue "A ARG 271": "NH1" <-> "NH2" Residue "A ARG 333": "NH1" <-> "NH2" Residue "B GLU 23": "OE1" <-> "OE2" Residue "B ARG 77": "NH1" <-> "NH2" Residue "B GLU 287": "OE1" <-> "OE2" Residue "B ARG 293": "NH1" <-> "NH2" Residue "B ARG 359": "NH1" <-> "NH2" Residue "B GLU 387": "OE1" <-> "OE2" Residue "B GLU 409": "OE1" <-> "OE2" Residue "B ARG 423": "NH1" <-> "NH2" Residue "B ARG 428": "NH1" <-> "NH2" Residue "C ARG 63": "NH1" <-> "NH2" Residue "C ARG 126": "NH1" <-> "NH2" Residue "C GLU 177": "OE1" <-> "OE2" Residue "E GLU 20": "OE1" <-> "OE2" Residue "E ARG 115": "NH1" <-> "NH2" Residue "E GLU 234": "OE1" <-> "OE2" Residue "F ARG 8": "NH1" <-> "NH2" Residue "F GLU 92": "OE1" <-> "OE2" Residue "F GLU 106": "OE1" <-> "OE2" Residue "G GLU 72": "OE1" <-> "OE2" Residue "G ARG 135": "NH1" <-> "NH2" Residue "G ARG 145": "NH1" <-> "NH2" Residue "G ARG 150": "NH1" <-> "NH2" Residue "G GLU 167": "OE1" <-> "OE2" Residue "G ARG 174": "NH1" <-> "NH2" Residue "G GLU 224": "OE1" <-> "OE2" Residue "G GLU 233": "OE1" <-> "OE2" Residue "G GLU 270": "OE1" <-> "OE2" Residue "G ARG 293": "NH1" <-> "NH2" Residue "G GLU 303": "OE1" <-> "OE2" Residue "G ARG 315": "NH1" <-> "NH2" Residue "G ARG 322": "NH1" <-> "NH2" Residue "G ARG 327": "NH1" <-> "NH2" Residue "G GLU 335": "OE1" <-> "OE2" Residue "I ASP 39": "OD1" <-> "OD2" Residue "I GLU 42": "OE1" <-> "OE2" Residue "I ARG 137": "NH1" <-> "NH2" Residue "I PHE 162": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I GLU 184": "OE1" <-> "OE2" Residue "I GLU 220": "OE1" <-> "OE2" Residue "I GLU 252": "OE1" <-> "OE2" Residue "J GLU 5": "OE1" <-> "OE2" Residue "J GLU 50": "OE1" <-> "OE2" Residue "J GLU 62": "OE1" <-> "OE2" Residue "J GLU 80": "OE1" <-> "OE2" Residue "J GLU 113": "OE1" <-> "OE2" Residue "K GLU 16": "OE1" <-> "OE2" Residue "K GLU 52": "OE1" <-> "OE2" Residue "K ARG 150": "NH1" <-> "NH2" Residue "K ARG 164": "NH1" <-> "NH2" Residue "K ARG 170": "NH1" <-> "NH2" Residue "L GLU 84": "OE1" <-> "OE2" Residue "L ARG 103": "NH1" <-> "NH2" Residue "L ARG 119": "NH1" <-> "NH2" Residue "L GLU 124": "OE1" <-> "OE2" Residue "L ARG 146": "NH1" <-> "NH2" Residue "M ARG 13": "NH1" <-> "NH2" Residue "M GLU 35": "OE1" <-> "OE2" Residue "M ARG 40": "NH1" <-> "NH2" Residue "M ARG 68": "NH1" <-> "NH2" Residue "M GLU 94": "OE1" <-> "OE2" Residue "M ARG 117": "NH1" <-> "NH2" Residue "M GLU 121": "OE1" <-> "OE2" Residue "M GLU 149": "OE1" <-> "OE2" Residue "M GLU 160": "OE1" <-> "OE2" Residue "M ARG 218": "NH1" <-> "NH2" Residue "N ARG 47": "NH1" <-> "NH2" Residue "N ARG 63": "NH1" <-> "NH2" Residue "N ARG 66": "NH1" <-> "NH2" Residue "N GLU 75": "OE1" <-> "OE2" Residue "N ARG 78": "NH1" <-> "NH2" Residue "N ARG 114": "NH1" <-> "NH2" Residue "N GLU 118": "OE1" <-> "OE2" Residue "N ARG 125": "NH1" <-> "NH2" Residue "N ARG 133": "NH1" <-> "NH2" Residue "N ARG 196": "NH1" <-> "NH2" Residue "N GLU 208": "OE1" <-> "OE2" Residue "N GLU 224": "OE1" <-> "OE2" Residue "O ARG 29": "NH1" <-> "NH2" Residue "O ARG 33": "NH1" <-> "NH2" Residue "O ARG 35": "NH1" <-> "NH2" Residue "O GLU 71": "OE1" <-> "OE2" Residue "O ARG 78": "NH1" <-> "NH2" Residue "O GLU 82": "OE1" <-> "OE2" Residue "O GLU 92": "OE1" <-> "OE2" Residue "O ARG 121": "NH1" <-> "NH2" Residue "O GLU 143": "OE1" <-> "OE2" Residue "O GLU 148": "OE1" <-> "OE2" Residue "O GLU 225": "OE1" <-> "OE2" Residue "O GLU 228": "OE1" <-> "OE2" Residue "O GLU 234": "OE1" <-> "OE2" Residue "O GLU 246": "OE1" <-> "OE2" Residue "O ARG 279": "NH1" <-> "NH2" Residue "O ARG 305": "NH1" <-> "NH2" Residue "O ARG 320": "NH1" <-> "NH2" Residue "Q ARG 21": "NH1" <-> "NH2" Residue "Q ARG 48": "NH1" <-> "NH2" Residue "Q GLU 72": "OE1" <-> "OE2" Residue "Q GLU 84": "OE1" <-> "OE2" Residue "Q GLU 147": "OE1" <-> "OE2" Residue "Q GLU 182": "OE1" <-> "OE2" Residue "Q GLU 210": "OE1" <-> "OE2" Residue "Q ARG 218": "NH1" <-> "NH2" Residue "Q GLU 221": "OE1" <-> "OE2" Residue "Q ARG 223": "NH1" <-> "NH2" Residue "R ARG 40": "NH1" <-> "NH2" Residue "R ARG 41": "NH1" <-> "NH2" Residue "R GLU 66": "OE1" <-> "OE2" Residue "R GLU 74": "OE1" <-> "OE2" Residue "R ARG 111": "NH1" <-> "NH2" Residue "R ARG 147": "NH1" <-> "NH2" Residue "R ARG 148": "NH1" <-> "NH2" Residue "R ARG 199": "NH1" <-> "NH2" Residue "R ARG 200": "NH1" <-> "NH2" Residue "R ARG 238": "NH1" <-> "NH2" Residue "R ARG 272": "NH1" <-> "NH2" Residue "R ARG 277": "NH1" <-> "NH2" Residue "R ARG 288": "NH1" <-> "NH2" Residue "R ARG 310": "NH1" <-> "NH2" Residue "R ARG 333": "NH1" <-> "NH2" Residue "R GLU 362": "OE1" <-> "OE2" Residue "R ARG 385": "NH1" <-> "NH2" Residue "R GLU 391": "OE1" <-> "OE2" Residue "R ARG 438": "NH1" <-> "NH2" Residue "R GLU 442": "OE1" <-> "OE2" Residue "S ARG 309": "NH1" <-> "NH2" Residue "S ARG 331": "NH1" <-> "NH2" Residue "S ARG 360": "NH1" <-> "NH2" Residue "S GLU 381": "OE1" <-> "OE2" Residue "S ARG 383": "NH1" <-> "NH2" Residue "T ARG 50": "NH1" <-> "NH2" Residue "T GLU 55": "OE1" <-> "OE2" Residue "T GLU 65": "OE1" <-> "OE2" Residue "V GLU 30": "OE1" <-> "OE2" Residue "V ARG 63": "NH1" <-> "NH2" Residue "V ARG 69": "NH1" <-> "NH2" Residue "V GLU 84": "OE1" <-> "OE2" Residue "V ARG 104": "NH1" <-> "NH2" Residue "V ARG 144": "NH1" <-> "NH2" Residue "V GLU 147": "OE1" <-> "OE2" Residue "Z ARG 80": "NH1" <-> "NH2" Residue "BA ASP 60": "OD1" <-> "OD2" Residue "BA ARG 78": "NH1" <-> "NH2" Residue "BA ARG 80": "NH1" <-> "NH2" Residue "BA GLU 109": "OE1" <-> "OE2" Residue "BA ARG 110": "NH1" <-> "NH2" Residue "BA GLU 119": "OE1" <-> "OE2" Residue "BA ARG 137": "NH1" <-> "NH2" Residue "CA ARG 78": "NH1" <-> "NH2" Residue "CA GLU 99": "OE1" <-> "OE2" Residue "CA ARG 107": "NH1" <-> "NH2" Residue "CA ARG 134": "NH1" <-> "NH2" Residue "CA ARG 143": "NH1" <-> "NH2" Residue "CA ARG 156": "NH1" <-> "NH2" Residue "CA PHE 157": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "CA ARG 161": "NH1" <-> "NH2" Residue "CA ARG 172": "NH1" <-> "NH2" Residue "CA ARG 174": "NH1" <-> "NH2" Residue "CA GLU 188": "OE1" <-> "OE2" Residue "CA ARG 208": "NH1" <-> "NH2" Residue "CA GLU 209": "OE1" <-> "OE2" Residue "CA ARG 216": "NH1" <-> "NH2" Residue "CA ARG 228": "NH1" <-> "NH2" Residue "CA GLU 235": "OE1" <-> "OE2" Residue "CA ARG 238": "NH1" <-> "NH2" Residue "CA ARG 249": "NH1" <-> "NH2" Residue "CA ARG 265": "NH1" <-> "NH2" Residue "CA ARG 267": "NH1" <-> "NH2" Residue "CA GLU 281": "OE1" <-> "OE2" Residue "CA ARG 299": "NH1" <-> "NH2" Residue "CA ARG 300": "NH1" <-> "NH2" Residue "CA ARG 304": "NH1" <-> "NH2" Residue "CA ARG 344": "NH1" <-> "NH2" Residue "CA GLU 347": "OE1" <-> "OE2" Residue "CA ARG 353": "NH1" <-> "NH2" Residue "CA ARG 356": "NH1" <-> "NH2" Residue "CA ARG 360": "NH1" <-> "NH2" Residue "CA GLU 381": "OE1" <-> "OE2" Residue "CA GLU 394": "OE1" <-> "OE2" Residue "CA ARG 416": "NH1" <-> "NH2" Residue "CA ARG 429": "NH1" <-> "NH2" Residue "CA ARG 466": "NH1" <-> "NH2" Residue "CA ARG 499": "NH1" <-> "NH2" Residue "CA ARG 509": "NH1" <-> "NH2" Residue "CA ARG 515": "NH1" <-> "NH2" Residue "CA ARG 552": "NH1" <-> "NH2" Residue "CA ARG 554": "NH1" <-> "NH2" Residue "CA ARG 556": "NH1" <-> "NH2" Residue "CA GLU 557": "OE1" <-> "OE2" Residue "CA ARG 566": "NH1" <-> "NH2" Residue "CA ARG 577": "NH1" <-> "NH2" Residue "CA ARG 578": "NH1" <-> "NH2" Residue "BB GLU 14": "OE1" <-> "OE2" Residue "BB ARG 33": "NH1" <-> "NH2" Residue "BB GLU 34": "OE1" <-> "OE2" Residue "BB ARG 40": "NH1" <-> "NH2" Residue "BB GLU 58": "OE1" <-> "OE2" Residue "BB ARG 88": "NH1" <-> "NH2" Residue "BB ARG 91": "NH1" <-> "NH2" Residue "BB GLU 100": "OE1" <-> "OE2" Residue "BB GLU 105": "OE1" <-> "OE2" Residue "CB ARG 66": "NH1" <-> "NH2" Residue "CB GLU 89": "OE1" <-> "OE2" Residue "CB ARG 92": "NH1" <-> "NH2" Residue "CB ARG 109": "NH1" <-> "NH2" Residue "CB ARG 115": "NH1" <-> "NH2" Residue "CB GLU 120": "OE1" <-> "OE2" Residue "CB GLU 123": "OE1" <-> "OE2" Residue "CB ARG 129": "NH1" <-> "NH2" Residue "CB GLU 141": "OE1" <-> "OE2" Residue "CB GLU 146": "OE1" <-> "OE2" Residue "CB ARG 153": "NH1" <-> "NH2" Residue "CB GLU 167": "OE1" <-> "OE2" Residue "CB ARG 169": "NH1" <-> "NH2" Residue "BK ARG 190": "NH1" <-> "NH2" Residue "BK ARG 206": "NH1" <-> "NH2" Residue "BK GLU 210": "OE1" <-> "OE2" Residue "BK GLU 224": "OE1" <-> "OE2" Residue "BK GLU 267": "OE1" <-> "OE2" Residue "BK GLU 275": "OE1" <-> "OE2" Residue "BK ARG 316": "NH1" <-> "NH2" Residue "BK ARG 320": "NH1" <-> "NH2" Residue "BK ARG 329": "NH1" <-> "NH2" Residue "BK ARG 427": "NH1" <-> "NH2" Residue "BK ARG 442": "NH1" <-> "NH2" Residue "BK ARG 455": "NH1" <-> "NH2" Residue "BK ARG 473": "NH1" <-> "NH2" Residue "BK ARG 499": "NH1" <-> "NH2" Residue "BK ARG 502": "NH1" <-> "NH2" Residue "BK ARG 511": "NH1" <-> "NH2" Residue "BK ARG 521": "NH1" <-> "NH2" Residue "BK GLU 534": "OE1" <-> "OE2" Residue "BK ARG 555": "NH1" <-> "NH2" Residue "BK ARG 564": "NH1" <-> "NH2" Residue "BK ARG 575": "NH1" <-> "NH2" Residue "BK ARG 580": "NH1" <-> "NH2" Residue "BK ARG 619": "NH1" <-> "NH2" Residue "BK ARG 620": "NH1" <-> "NH2" Residue "BK ARG 625": "NH1" <-> "NH2" Residue "BK GLU 638": "OE1" <-> "OE2" Residue "BK ARG 663": "NH1" <-> "NH2" Residue "BK ARG 691": "NH1" <-> "NH2" Residue "BK ARG 758": "NH1" <-> "NH2" Residue "BK ARG 760": "NH1" <-> "NH2" Residue "BK ARG 769": "NH1" <-> "NH2" Residue "BK GLU 771": "OE1" <-> "OE2" Residue "BK ARG 793": "NH1" <-> "NH2" Residue "BK ARG 808": "NH1" <-> "NH2" Residue "BQ ARG 63": "NH1" <-> "NH2" Residue "BQ GLU 110": "OE1" <-> "OE2" Residue "BQ ARG 115": "NH1" <-> "NH2" Residue "BQ ARG 122": "NH1" <-> "NH2" Residue "BQ ARG 140": "NH1" <-> "NH2" Residue "BQ ARG 145": "NH1" <-> "NH2" Residue "BQ ARG 161": "NH1" <-> "NH2" Residue "BQ ARG 241": "NH1" <-> "NH2" Residue "BQ GLU 254": "OE1" <-> "OE2" Residue "BQ ARG 314": "NH1" <-> "NH2" Residue "BQ ARG 336": "NH1" <-> "NH2" Residue "BQ ARG 339": "NH1" <-> "NH2" Residue "BQ GLU 346": "OE1" <-> "OE2" Residue "BQ ARG 377": "NH1" <-> "NH2" Residue "BQ ARG 380": "NH1" <-> "NH2" Residue "BQ ARG 395": "NH1" <-> "NH2" Residue "BN ARG 99": "NH1" <-> "NH2" Residue "BN ARG 126": "NH1" <-> "NH2" Residue "BN ARG 136": "NH1" <-> "NH2" Residue "BN ARG 137": "NH1" <-> "NH2" Residue "BN ARG 141": "NH1" <-> "NH2" Residue "BN GLU 151": "OE1" <-> "OE2" Residue "BN ARG 181": "NH1" <-> "NH2" Residue "BN GLU 185": "OE1" <-> "OE2" Residue "BN ARG 187": "NH1" <-> "NH2" Residue "BN ARG 191": "NH1" <-> "NH2" Residue "BN ARG 200": "NH1" <-> "NH2" Residue "BN ARG 238": "NH1" <-> "NH2" Residue "BE GLU 90": "OE1" <-> "OE2" Residue "BE GLU 92": "OE1" <-> "OE2" Residue "BO ARG 32": "NH1" <-> "NH2" Residue "BO ARG 39": "NH1" <-> "NH2" Residue "BO ARG 78": "NH1" <-> "NH2" Residue "BO ARG 87": "NH1" <-> "NH2" Residue "BO ARG 92": "NH1" <-> "NH2" Residue "BO ARG 100": "NH1" <-> "NH2" Residue "BO ARG 105": "NH1" <-> "NH2" Residue "BO ARG 119": "NH1" <-> "NH2" Residue "BO ARG 139": "NH1" <-> "NH2" Residue "BO ARG 149": "NH1" <-> "NH2" Residue "BO ARG 159": "NH1" <-> "NH2" Residue "BO ARG 165": "NH1" <-> "NH2" Residue "BO ARG 172": "NH1" <-> "NH2" Residue "At ARG 17": "NH1" <-> "NH2" Residue "At GLU 24": "OE1" <-> "OE2" Residue "At GLU 49": "OE1" <-> "OE2" Residue "At GLU 107": "OE1" <-> "OE2" Residue "At GLU 115": "OE1" <-> "OE2" Residue "At GLU 125": "OE1" <-> "OE2" Residue "At ARG 131": "NH1" <-> "NH2" Residue "At ARG 132": "NH1" <-> "NH2" Residue "At ARG 133": "NH1" <-> "NH2" Residue "At GLU 144": "OE1" <-> "OE2" Residue "At ARG 150": "NH1" <-> "NH2" Residue "At GLU 165": "OE1" <-> "OE2" Residue "At ARG 174": "NH1" <-> "NH2" Residue "Au ARG 145": "NH1" <-> "NH2" Residue "Ae ARG 67": "NH1" <-> "NH2" Residue "Ae GLU 70": "OE1" <-> "OE2" Residue "Ae GLU 96": "OE1" <-> "OE2" Residue "Ae ARG 109": "NH1" <-> "NH2" Residue "Af GLU 17": "OE1" <-> "OE2" Residue "Af ARG 28": "NH1" <-> "NH2" Residue "Af ARG 50": "NH1" <-> "NH2" Residue "Af GLU 67": "OE1" <-> "OE2" Residue "Af ARG 80": "NH1" <-> "NH2" Residue "Af ARG 85": "NH1" <-> "NH2" Residue "Af ARG 98": "NH1" <-> "NH2" Residue "Af GLU 154": "OE1" <-> "OE2" Residue "Ah ARG 93": "NH1" <-> "NH2" Residue "Ah ARG 104": "NH1" <-> "NH2" Residue "Ah GLU 107": "OE1" <-> "OE2" Residue "Ah ARG 112": "NH1" <-> "NH2" Residue "Ah GLU 117": "OE1" <-> "OE2" Residue "Ah GLU 129": "OE1" <-> "OE2" Residue "Ah GLU 138": "OE1" <-> "OE2" Residue "Ah ARG 177": "NH1" <-> "NH2" Residue "Ah ARG 273": "NH1" <-> "NH2" Residue "Ah ARG 277": "NH1" <-> "NH2" Residue "Ah ARG 338": "NH1" <-> "NH2" Residue "Ah GLU 348": "OE1" <-> "OE2" Residue "Ah ARG 350": "NH1" <-> "NH2" Residue "Ah GLU 360": "OE1" <-> "OE2" Residue "Ah GLU 375": "OE1" <-> "OE2" Residue "Ah ARG 426": "NH1" <-> "NH2" Residue "Ah ARG 453": "NH1" <-> "NH2" Residue "Ap ARG 20": "NH1" <-> "NH2" Residue "Ap ARG 25": "NH1" <-> "NH2" Residue "Ap GLU 98": "OE1" <-> "OE2" Residue "Ap ARG 119": "NH1" <-> "NH2" Residue "Ap ARG 133": "NH1" <-> "NH2" Residue "Ap ARG 139": "NH1" <-> "NH2" Residue "Ap GLU 141": "OE1" <-> "OE2" Residue "Ap ARG 150": "NH1" <-> "NH2" Residue "Ap GLU 156": "OE1" <-> "OE2" Residue "Ap ARG 165": "NH1" <-> "NH2" Residue "Ap ARG 173": "NH1" <-> "NH2" Residue "Ap ARG 195": "NH1" <-> "NH2" Residue "Ap ARG 222": "NH1" <-> "NH2" Residue "Al GLU 102": "OE1" <-> "OE2" Residue "Al ARG 145": "NH1" <-> "NH2" Residue "Al ARG 149": "NH1" <-> "NH2" Residue "Al GLU 170": "OE1" <-> "OE2" Residue "Al GLU 177": "OE1" <-> "OE2" Residue "Al GLU 220": "OE1" <-> "OE2" Residue "Al GLU 237": "OE1" <-> "OE2" Residue "Ab GLU 6": "OE1" <-> "OE2" Residue "Ab ARG 11": "NH1" <-> "NH2" Residue "Ab ARG 38": "NH1" <-> "NH2" Residue "Ab ARG 72": "NH1" <-> "NH2" Residue "Ab ARG 85": "NH1" <-> "NH2" Residue "Ab ARG 165": "NH1" <-> "NH2" Residue "Ab ARG 166": "NH1" <-> "NH2" Residue "Aa ARG 75": "NH1" <-> "NH2" Residue "Aa ARG 82": "NH1" <-> "NH2" Residue "Aa ARG 121": "NH1" <-> "NH2" Residue "Aa GLU 125": "OE1" <-> "OE2" Residue "Aa ARG 161": "NH1" <-> "NH2" Residue "BP ARG -41": "NH1" <-> "NH2" Residue "BP GLU -26": "OE1" <-> "OE2" Residue "BP GLU -11": "OE1" <-> "OE2" Residue "BP ARG -6": "NH1" <-> "NH2" Residue "BP ARG 9": "NH1" <-> "NH2" Residue "BP GLU 63": "OE1" <-> "OE2" Residue "BP GLU 64": "OE1" <-> "OE2" Residue "BP GLU 81": "OE1" <-> "OE2" Residue "Az GLU 91": "OE1" <-> "OE2" Residue "Az GLU 137": "OE1" <-> "OE2" Residue "Az GLU 141": "OE1" <-> "OE2" Residue "Am ARG 97": "NH1" <-> "NH2" Residue "Am GLU 108": "OE1" <-> "OE2" Residue "Am GLU 127": "OE1" <-> "OE2" Residue "Am ARG 128": "NH1" <-> "NH2" Residue "Am GLU 161": "OE1" <-> "OE2" Residue "Am ARG 205": "NH1" <-> "NH2" Residue "Am GLU 221": "OE1" <-> "OE2" Residue "Am ARG 223": "NH1" <-> "NH2" Residue "Am PHE 235": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Am ARG 272": "NH1" <-> "NH2" Residue "Am ARG 273": "NH1" <-> "NH2" Residue "Am ARG 281": "NH1" <-> "NH2" Residue "Am GLU 289": "OE1" <-> "OE2" Residue "Am ARG 311": "NH1" <-> "NH2" Residue "Am GLU 334": "OE1" <-> "OE2" Residue "As ARG 57": "NH1" <-> "NH2" Residue "As ARG 108": "NH1" <-> "NH2" Residue "As GLU 162": "OE1" <-> "OE2" Residue "As ARG 165": "NH1" <-> "NH2" Residue "As ARG 170": "NH1" <-> "NH2" Residue "BG ARG 1278": "NH1" <-> "NH2" Residue "BG ARG 1279": "NH1" <-> "NH2" Residue "BG ARG 1283": "NH1" <-> "NH2" Residue "BG ARG 1297": "NH1" <-> "NH2" Residue "BG ARG 1307": "NH1" <-> "NH2" Residue "BG ARG 1326": "NH1" <-> "NH2" Residue "BG ARG 1329": "NH1" <-> "NH2" Residue "Ad ARG 45": "NH1" <-> "NH2" Residue "Ad ARG 81": "NH1" <-> "NH2" Residue "Ad GLU 196": "OE1" <-> "OE2" Residue "Aw ARG 8": "NH1" <-> "NH2" Residue "Aw ARG 21": "NH1" <-> "NH2" Residue "Aw ARG 22": "NH1" <-> "NH2" Residue "Aw ARG 123": "NH1" <-> "NH2" Residue "Aw ARG 127": "NH1" <-> "NH2" Residue "Aw GLU 155": "OE1" <-> "OE2" Residue "Aw ARG 177": "NH1" <-> "NH2" Residue "BH ARG 49": "NH1" <-> "NH2" Residue "BH ARG 54": "NH1" <-> "NH2" Residue "BH ARG 154": "NH1" <-> "NH2" Residue "BH ARG 179": "NH1" <-> "NH2" Residue "Aj ARG 126": "NH1" <-> "NH2" Residue "Aj ARG 133": "NH1" <-> "NH2" Residue "Aj ARG 141": "NH1" <-> "NH2" Residue "Aj ARG 195": "NH1" <-> "NH2" Residue "Aj ARG 196": "NH1" <-> "NH2" Residue "Aj GLU 222": "OE1" <-> "OE2" Residue "Aj ARG 258": "NH1" <-> "NH2" Residue "Aj GLU 285": "OE1" <-> "OE2" Residue "Aj GLU 289": "OE1" <-> "OE2" Residue "Aj GLU 299": "OE1" <-> "OE2" Residue "Aj GLU 346": "OE1" <-> "OE2" Residue "Aj ARG 377": "NH1" <-> "NH2" Residue "Aj ARG 380": "NH1" <-> "NH2" Residue "Aj ARG 402": "NH1" <-> "NH2" Residue "Aj GLU 448": "OE1" <-> "OE2" Residue "Aj ARG 480": "NH1" <-> "NH2" Residue "Aj ARG 483": "NH1" <-> "NH2" Residue "Aj ARG 486": "NH1" <-> "NH2" Residue "Ar GLU 14": "OE1" <-> "OE2" Residue "Ar GLU 38": "OE1" <-> "OE2" Residue "Ar ARG 44": "NH1" <-> "NH2" Residue "Ar ARG 79": "NH1" <-> "NH2" Residue "Ar GLU 82": "OE1" <-> "OE2" Residue "Ar PHE 90": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Ar GLU 149": "OE1" <-> "OE2" Residue "An ARG 101": "NH1" <-> "NH2" Residue "An GLU 108": "OE1" <-> "OE2" Residue "An ARG 145": "NH1" <-> "NH2" Residue "An GLU 150": "OE1" <-> "OE2" Residue "An GLU 156": "OE1" <-> "OE2" Residue "An ARG 161": "NH1" <-> "NH2" Residue "An GLU 164": "OE1" <-> "OE2" Residue "An GLU 169": "OE1" <-> "OE2" Residue "An GLU 170": "OE1" <-> "OE2" Residue "An ARG 180": "NH1" <-> "NH2" Residue "An ARG 187": "NH1" <-> "NH2" Residue "An GLU 225": "OE1" <-> "OE2" Residue "An ARG 228": "NH1" <-> "NH2" Residue "An ARG 232": "NH1" <-> "NH2" Residue "An GLU 259": "OE1" <-> "OE2" Residue "An GLU 279": "OE1" <-> "OE2" Residue "An GLU 295": "OE1" <-> "OE2" Residue "An ARG 311": "NH1" <-> "NH2" Residue "An ARG 312": "NH1" <-> "NH2" Residue "BF GLU 43": "OE1" <-> "OE2" Residue "BF ARG 63": "NH1" <-> "NH2" Residue "BF ARG 81": "NH1" <-> "NH2" Residue "BF ARG 89": "NH1" <-> "NH2" Residue "BF ARG 96": "NH1" <-> "NH2" Residue "BF ARG 99": "NH1" <-> "NH2" Residue "BF ARG 105": "NH1" <-> "NH2" Residue "Av GLU 62": "OE1" <-> "OE2" Residue "Av GLU 110": "OE1" <-> "OE2" Residue "BM ARG 17": "NH1" <-> "NH2" Residue "BM GLU 30": "OE1" <-> "OE2" Residue "BM ARG 31": "NH1" <-> "NH2" Residue "BM ARG 34": "NH1" <-> "NH2" Residue "BM ARG 46": "NH1" <-> "NH2" Residue "BM GLU 67": "OE1" <-> "OE2" Residue "BM ARG 71": "NH1" <-> "NH2" Residue "BM ARG 79": "NH1" <-> "NH2" Residue "BM ARG 80": "NH1" <-> "NH2" Residue "BM ARG 89": "NH1" <-> "NH2" Residue "BM ARG 121": "NH1" <-> "NH2" Residue "BM ARG 137": "NH1" <-> "NH2" Residue "BM ARG 140": "NH1" <-> "NH2" Residue "BM ARG 141": "NH1" <-> "NH2" Residue "BM ARG 142": "NH1" <-> "NH2" Residue "BM ARG 160": "NH1" <-> "NH2" Residue "BM GLU 173": "OE1" <-> "OE2" Residue "BM ARG 177": "NH1" <-> "NH2" Residue "BM ARG 182": "NH1" <-> "NH2" Residue "BM ARG 213": "NH1" <-> "NH2" Residue "BM GLU 215": "OE1" <-> "OE2" Residue "BM ARG 221": "NH1" <-> "NH2" Residue "BM ARG 237": "NH1" <-> "NH2" Residue "BM ARG 246": "NH1" <-> "NH2" Residue "BM ARG 251": "NH1" <-> "NH2" Residue "BM ARG 255": "NH1" <-> "NH2" Residue "BM ARG 263": "NH1" <-> "NH2" Residue "BM ARG 271": "NH1" <-> "NH2" Residue "BM ARG 282": "NH1" <-> "NH2" Residue "BM ARG 289": "NH1" <-> "NH2" Residue "BM ARG 323": "NH1" <-> "NH2" Residue "BM ARG 335": "NH1" <-> "NH2" Residue "BM ARG 339": "NH1" <-> "NH2" Residue "BM ARG 348": "NH1" <-> "NH2" Residue "BM GLU 377": "OE1" <-> "OE2" Residue "BM ARG 389": "NH1" <-> "NH2" Residue "Ag ARG 43": "NH1" <-> "NH2" Residue "Ag ARG 77": "NH1" <-> "NH2" Residue "Ag GLU 92": "OE1" <-> "OE2" Residue "Ag ARG 107": "NH1" <-> "NH2" Residue "Bl ARG 104": "NH1" <-> "NH2" Residue "Bl ARG 147": "NH1" <-> "NH2" Residue "Bl ARG 194": "NH1" <-> "NH2" Residue "Bl ARG 232": "NH1" <-> "NH2" Residue "Bl GLU 253": "OE1" <-> "OE2" Residue "Bl GLU 256": "OE1" <-> "OE2" Residue "Bl ARG 257": "NH1" <-> "NH2" Residue "Bl GLU 262": "OE1" <-> "OE2" Residue "Ax GLU 78": "OE1" <-> "OE2" Residue "Ax ARG 163": "NH1" <-> "NH2" Residue "BS ARG 290": "NH1" <-> "NH2" Residue "BS ARG 293": "NH1" <-> "NH2" Residue "BS ARG 301": "NH1" <-> "NH2" Residue "BS ARG 304": "NH1" <-> "NH2" Residue "BS ARG 364": "NH1" <-> "NH2" Residue "BY ARG 103": "NH1" <-> "NH2" Residue "BY ARG 119": "NH1" <-> "NH2" Residue "BY ARG 123": "NH1" <-> "NH2" Residue "BY ARG 125": "NH1" <-> "NH2" Residue "BY GLU 137": "OE1" <-> "OE2" Residue "BY ARG 142": "NH1" <-> "NH2" Residue "BY ARG 143": "NH1" <-> "NH2" Residue "BY ARG 152": "NH1" <-> "NH2" Residue "BY ARG 186": "NH1" <-> "NH2" Residue "BY ARG 189": "NH1" <-> "NH2" Residue "BY ARG 230": "NH1" <-> "NH2" Residue "BY ARG 236": "NH1" <-> "NH2" Residue "BY GLU 252": "OE1" <-> "OE2" Residue "BY GLU 266": "OE1" <-> "OE2" Residue "BY ARG 267": "NH1" <-> "NH2" Residue "BY GLU 300": "OE1" <-> "OE2" Residue "BY GLU 345": "OE1" <-> "OE2" Residue "BX ARG 103": "NH1" <-> "NH2" Residue "BX ARG 119": "NH1" <-> "NH2" Residue "BX ARG 125": "NH1" <-> "NH2" Residue "BX ARG 142": "NH1" <-> "NH2" Residue "BX ARG 143": "NH1" <-> "NH2" Residue "BX ARG 152": "NH1" <-> "NH2" Residue "BX GLU 178": "OE1" <-> "OE2" Residue "BX ARG 186": "NH1" <-> "NH2" Residue "BX ARG 189": "NH1" <-> "NH2" Residue "BX ARG 230": "NH1" <-> "NH2" Residue "BX ARG 236": "NH1" <-> "NH2" Residue "BX GLU 252": "OE1" <-> "OE2" Residue "BX ARG 267": "NH1" <-> "NH2" Residue "BX ARG 344": "NH1" <-> "NH2" Residue "BX GLU 345": "OE1" <-> "OE2" Residue "BZ GLU 79": "OE1" <-> "OE2" Residue "BZ ARG 96": "NH1" <-> "NH2" Residue "BZ ARG 98": "NH1" <-> "NH2" Residue "BZ ARG 107": "NH1" <-> "NH2" Residue "BZ ARG 111": "NH1" <-> "NH2" Residue "BZ GLU 113": "OE1" <-> "OE2" Residue "BZ GLU 127": "OE1" <-> "OE2" Residue "BZ GLU 165": "OE1" <-> "OE2" Residue "BZ GLU 172": "OE1" <-> "OE2" Residue "BZ ARG 204": "NH1" <-> "NH2" Residue "BZ ARG 229": "NH1" <-> "NH2" Residue "BZ ARG 235": "NH1" <-> "NH2" Residue "BZ ARG 239": "NH1" <-> "NH2" Residue "BZ GLU 271": "OE1" <-> "OE2" Residue "BZ ARG 319": "NH1" <-> "NH2" Residue "BZ ARG 320": "NH1" <-> "NH2" Residue "BZ ARG 332": "NH1" <-> "NH2" Residue "BZ ARG 359": "NH1" <-> "NH2" Residue "BZ ARG 399": "NH1" <-> "NH2" Residue "CC GLU 80": "OE1" <-> "OE2" Residue "CC GLU 131": "OE1" <-> "OE2" Residue "CC GLU 141": "OE1" <-> "OE2" Residue "CD ARG 39": "NH1" <-> "NH2" Residue "CD GLU 44": "OE1" <-> "OE2" Residue "CD ARG 69": "NH1" <-> "NH2" Residue "CD ARG 70": "NH1" <-> "NH2" Residue "CD ARG 88": "NH1" <-> "NH2" Residue "CD ARG 89": "NH1" <-> "NH2" Residue "CD ARG 100": "NH1" <-> "NH2" Residue "CD ARG 105": "NH1" <-> "NH2" Residue "CD GLU 112": "OE1" <-> "OE2" Residue "BT GLU 77": "OE1" <-> "OE2" Residue "BT ARG 79": "NH1" <-> "NH2" Residue "BT ARG 93": "NH1" <-> "NH2" Residue "BT ARG 117": "NH1" <-> "NH2" Residue "BT ARG 125": "NH1" <-> "NH2" Residue "BT ARG 136": "NH1" <-> "NH2" Residue "BT ARG 137": "NH1" <-> "NH2" Residue "BT ARG 140": "NH1" <-> "NH2" Residue "BT ARG 148": "NH1" <-> "NH2" Residue "BT ARG 184": "NH1" <-> "NH2" Residue "BT GLU 188": "OE1" <-> "OE2" Residue "BT ARG 193": "NH1" <-> "NH2" Residue "BT ARG 197": "NH1" <-> "NH2" Residue "BT ARG 198": "NH1" <-> "NH2" Residue "BT ARG 200": "NH1" <-> "NH2" Residue "BT GLU 203": "OE1" <-> "OE2" Residue "BT GLU 285": "OE1" <-> "OE2" Residue "BT ARG 291": "NH1" <-> "NH2" Residue "BT ARG 306": "NH1" <-> "NH2" Residue "BT ARG 322": "NH1" <-> "NH2" Residue "BT ARG 325": "NH1" <-> "NH2" Residue "BT ARG 346": "NH1" <-> "NH2" Residue "BT ARG 347": "NH1" <-> "NH2" Residue "BU ARG 69": "NH1" <-> "NH2" Residue "BU GLU 73": "OE1" <-> "OE2" Residue "BU GLU 98": "OE1" <-> "OE2" Residue "BU GLU 99": "OE1" <-> "OE2" Residue "BU ARG 102": "NH1" <-> "NH2" Residue "BU ARG 162": "NH1" <-> "NH2" Residue "BU ARG 174": "NH1" <-> "NH2" Residue "BU ARG 176": "NH1" <-> "NH2" Residue "BU ARG 220": "NH1" <-> "NH2" Residue "BU ARG 222": "NH1" <-> "NH2" Residue "BU ARG 230": "NH1" <-> "NH2" Residue "BU ARG 236": "NH1" <-> "NH2" Residue "BU GLU 259": "OE1" <-> "OE2" Residue "BU ARG 288": "NH1" <-> "NH2" Residue "BU ARG 295": "NH1" <-> "NH2" Residue "BU ARG 300": "NH1" <-> "NH2" Residue "BU ARG 310": "NH1" <-> "NH2" Residue "BU ARG 370": "NH1" <-> "NH2" Residue "BU ARG 410": "NH1" <-> "NH2" Residue "BU ARG 411": "NH1" <-> "NH2" Residue "BU ARG 419": "NH1" <-> "NH2" Residue "BU ARG 433": "NH1" <-> "NH2" Residue "BU ARG 436": "NH1" <-> "NH2" Residue "BU ARG 443": "NH1" <-> "NH2" Residue "BU ARG 479": "NH1" <-> "NH2" Residue "BU ARG 484": "NH1" <-> "NH2" Residue "BW ARG 96": "NH1" <-> "NH2" Residue "BW ARG 150": "NH1" <-> "NH2" Residue "BW GLU 161": "OE1" <-> "OE2" Residue "BW ARG 179": "NH1" <-> "NH2" Residue "BW ARG 187": "NH1" <-> "NH2" Residue "BW ARG 189": "NH1" <-> "NH2" Residue "BW ARG 190": "NH1" <-> "NH2" Residue "BW ARG 192": "NH1" <-> "NH2" Residue "BW GLU 204": "OE1" <-> "OE2" Residue "BW ARG 212": "NH1" <-> "NH2" Residue "BW ARG 229": "NH1" <-> "NH2" Residue "BW ARG 255": "NH1" <-> "NH2" Residue "BW ARG 258": "NH1" <-> "NH2" Residue "BW ARG 260": "NH1" <-> "NH2" Residue "BW ARG 261": "NH1" <-> "NH2" Residue "BW ARG 297": "NH1" <-> "NH2" Residue "BW ARG 319": "NH1" <-> "NH2" Residue "BW GLU 322": "OE1" <-> "OE2" Residue "BW ARG 327": "NH1" <-> "NH2" Residue "BW ARG 347": "NH1" <-> "NH2" Residue "BW ARG 349": "NH1" <-> "NH2" Residue "BW ARG 351": "NH1" <-> "NH2" Residue "BW ARG 356": "NH1" <-> "NH2" Residue "BW ARG 357": "NH1" <-> "NH2" Residue "BW GLU 358": "OE1" <-> "OE2" Residue "BW ARG 370": "NH1" <-> "NH2" Residue "BW ARG 507": "NH1" <-> "NH2" Residue "BW ARG 508": "NH1" <-> "NH2" Residue "BW ARG 514": "NH1" <-> "NH2" Residue "BW ARG 527": "NH1" <-> "NH2" Residue "BW ARG 601": "NH1" <-> "NH2" Residue "BW TYR 609": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BW ARG 644": "NH1" <-> "NH2" Residue "BW ARG 649": "NH1" <-> "NH2" Residue "BW ARG 658": "NH1" <-> "NH2" Residue "BV GLU 99": "OE1" <-> "OE2" Residue "BV ARG 134": "NH1" <-> "NH2" Residue "BV ARG 157": "NH1" <-> "NH2" Residue "BV ARG 159": "NH1" <-> "NH2" Residue "BV GLU 160": "OE1" <-> "OE2" Residue "BV ARG 164": "NH1" <-> "NH2" Residue "BV ARG 177": "NH1" <-> "NH2" Residue "BV ARG 182": "NH1" <-> "NH2" Residue "BV ARG 189": "NH1" <-> "NH2" Residue "BV ARG 207": "NH1" <-> "NH2" Residue "BV GLU 210": "OE1" <-> "OE2" Residue "BV ARG 217": "NH1" <-> "NH2" Residue "BV GLU 218": "OE1" <-> "OE2" Residue "BV ARG 219": "NH1" <-> "NH2" Residue "BV ARG 231": "NH1" <-> "NH2" Residue "BV ARG 234": "NH1" <-> "NH2" Residue "BV ARG 269": "NH1" <-> "NH2" Residue "BV ARG 279": "NH1" <-> "NH2" Residue "BV GLU 283": "OE1" <-> "OE2" Residue "BV ARG 302": "NH1" <-> "NH2" Residue "BV ARG 309": "NH1" <-> "NH2" Residue "BR ARG 42": "NH1" <-> "NH2" Residue "BR ARG 56": "NH1" <-> "NH2" Residue "BR ARG 73": "NH1" <-> "NH2" Residue "BR ARG 85": "NH1" <-> "NH2" Residue "BR ARG 94": "NH1" <-> "NH2" Residue "BR ARG 108": "NH1" <-> "NH2" Residue "BR GLU 112": "OE1" <-> "OE2" Residue "BR ARG 136": "NH1" <-> "NH2" Residue "BR ARG 143": "NH1" <-> "NH2" Residue "BR ARG 249": "NH1" <-> "NH2" Residue "BR ARG 253": "NH1" <-> "NH2" Residue "BR ARG 269": "NH1" <-> "NH2" Residue "BR GLU 270": "OE1" <-> "OE2" Residue "BR ARG 275": "NH1" <-> "NH2" Residue "BR ARG 277": "NH1" <-> "NH2" Residue "BR GLU 283": "OE1" <-> "OE2" Residue "BR ARG 287": "NH1" <-> "NH2" Time to flip residues: 0.29s Monomer Library directory: "/net/cci-filer2/raid1/xp/phenix/phenix-1.21rc1-5013/modules/chem_data/mon_lib" Total number of atoms: 139523 Number of models: 1 Model: "" Number of chains: 80 Chain: "A" Number of atoms: 2909 Number of conformers: 1 Conformer: "" Number of residues, atoms: 356, 2909 Classifications: {'peptide': 356} Link IDs: {'PTRANS': 27, 'TRANS': 328} Chain: "B" Number of atoms: 3513 Number of conformers: 1 Conformer: "" Number of residues, atoms: 435, 3513 Classifications: {'peptide': 435} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 40, 'TRANS': 394} Chain: "C" Number of atoms: 1772 Number of conformers: 1 Conformer: "" Number of residues, atoms: 212, 1772 Classifications: {'peptide': 212} Link IDs: {'PTRANS': 21, 'TRANS': 190} Chain: "E" Number of atoms: 1818 Number of conformers: 1 Conformer: "" Number of residues, atoms: 225, 1818 Classifications: {'peptide': 225} Link IDs: {'PCIS': 1, 'PTRANS': 14, 'TRANS': 209} Chain: "F" Number of atoms: 1231 Number of conformers: 1 Conformer: "" Number of residues, atoms: 147, 1231 Classifications: {'peptide': 147} Link IDs: {'PTRANS': 10, 'TRANS': 136} Chain: "G" Number of atoms: 2767 Number of conformers: 1 Conformer: "" Number of residues, atoms: 334, 2767 Classifications: {'peptide': 334} Link IDs: {'PCIS': 1, 'PTRANS': 23, 'TRANS': 309} Chain: "I" Number of atoms: 2153 Number of conformers: 1 Conformer: "" Number of residues, atoms: 257, 2153 Classifications: {'peptide': 257} Link IDs: {'PTRANS': 19, 'TRANS': 237} Chain: "J" Number of atoms: 1146 Number of conformers: 1 Conformer: "" Number of residues, atoms: 141, 1146 Classifications: {'peptide': 141} Link IDs: {'PTRANS': 7, 'TRANS': 133} Chain: "K" Number of atoms: 1467 Number of conformers: 1 Conformer: "" Number of residues, atoms: 179, 1467 Classifications: {'peptide': 179} Link IDs: {'PTRANS': 12, 'TRANS': 166} Chain: "L" Number of atoms: 1419 Number of conformers: 1 Conformer: "" Number of residues, atoms: 178, 1419 Classifications: {'peptide': 178} Link IDs: {'PTRANS': 12, 'TRANS': 165} Chain: "M" Number of atoms: 2116 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2116 Classifications: {'peptide': 259} Link IDs: {'CIS': 1, 'PTRANS': 15, 'TRANS': 242} Chain: "N" Number of atoms: 1599 Number of conformers: 1 Conformer: "" Number of residues, atoms: 189, 1599 Classifications: {'peptide': 189} Link IDs: {'PTRANS': 18, 'TRANS': 170} Chain: "O" Number of atoms: 2477 Number of conformers: 1 Conformer: "" Number of residues, atoms: 300, 2477 Classifications: {'peptide': 300} Link IDs: {'PTRANS': 18, 'TRANS': 281} Chain: "Q" Number of atoms: 1785 Number of conformers: 1 Conformer: "" Number of residues, atoms: 217, 1785 Classifications: {'peptide': 217} Link IDs: {'PTRANS': 12, 'TRANS': 204} Chain: "R" Number of atoms: 3755 Number of conformers: 1 Conformer: "" Number of residues, atoms: 472, 3755 Classifications: {'peptide': 472} Modifications used: {'COO': 1} Link IDs: {'CIS': 1, 'PCIS': 1, 'PTRANS': 39, 'TRANS': 430} Chain: "S" Number of atoms: 1244 Number of conformers: 1 Conformer: "" Number of residues, atoms: 150, 1244 Classifications: {'peptide': 150} Link IDs: {'PTRANS': 9, 'TRANS': 140} Chain: "T" Number of atoms: 487 Number of conformers: 1 Conformer: "" Number of residues, atoms: 55, 487 Classifications: {'peptide': 55} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 4, 'TRANS': 50} Chain: "V" Number of atoms: 1202 Number of conformers: 1 Conformer: "" Number of residues, atoms: 141, 1202 Classifications: {'peptide': 141} Link IDs: {'PTRANS': 8, 'TRANS': 132} Chain: "Z" Number of atoms: 907 Number of conformers: 1 Conformer: "" Number of residues, atoms: 113, 907 Classifications: {'peptide': 113} Link IDs: {'PTRANS': 14, 'TRANS': 98} Chain: "BA" Number of atoms: 786 Number of conformers: 1 Conformer: "" Number of residues, atoms: 106, 786 Classifications: {'peptide': 106} Link IDs: {'PTRANS': 6, 'TRANS': 99} Chain: "CA" Number of atoms: 4230 Number of conformers: 1 Conformer: "" Number of residues, atoms: 537, 4230 Classifications: {'peptide': 537} Link IDs: {'CIS': 1, 'PTRANS': 31, 'TRANS': 504} Chain: "UA" Number of atoms: 1015 Number of conformers: 1 Conformer: "" Number of residues, atoms: 203, 1015 Classifications: {'peptide': 203} Link IDs: {'TRANS': 202} Chain: "BB" Number of atoms: 894 Number of conformers: 1 Conformer: "" Number of residues, atoms: 106, 894 Classifications: {'peptide': 106} Link IDs: {'PTRANS': 6, 'TRANS': 99} Chain: "CB" Number of atoms: 1074 Number of conformers: 1 Conformer: "" Number of residues, atoms: 135, 1074 Classifications: {'peptide': 135} Link IDs: {'PTRANS': 3, 'TRANS': 131} Chain: "BK" Number of atoms: 5419 Number of conformers: 1 Conformer: "" Number of residues, atoms: 694, 5419 Classifications: {'peptide': 694} Link IDs: {'PTRANS': 37, 'TRANS': 656} Chain breaks: 1 Chain: "BQ" Number of atoms: 3230 Number of conformers: 1 Conformer: "" Number of residues, atoms: 413, 3230 Classifications: {'peptide': 413} Link IDs: {'PCIS': 1, 'PTRANS': 25, 'TRANS': 386} Chain breaks: 1 Chain: "BN" Number of atoms: 1507 Number of conformers: 1 Conformer: "" Number of residues, atoms: 196, 1507 Classifications: {'peptide': 196} Link IDs: {'PTRANS': 14, 'TRANS': 181} Chain breaks: 1 Chain: "BE" Number of atoms: 325 Number of conformers: 1 Conformer: "" Number of residues, atoms: 37, 325 Classifications: {'peptide': 37} Link IDs: {'PTRANS': 3, 'TRANS': 33} Chain: "BO" Number of atoms: 1281 Number of conformers: 1 Conformer: "" Number of residues, atoms: 158, 1281 Classifications: {'peptide': 158} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 5, 'TRANS': 152} Chain breaks: 1 Chain: "At" Number of atoms: 1346 Number of conformers: 1 Conformer: "" Number of residues, atoms: 165, 1346 Classifications: {'peptide': 165} Link IDs: {'PTRANS': 6, 'TRANS': 158} Chain: "Au" Number of atoms: 681 Number of conformers: 1 Conformer: "" Number of residues, atoms: 80, 681 Classifications: {'peptide': 80} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 4, 'TRANS': 75} Chain: "Ae" Number of atoms: 2354 Number of conformers: 1 Conformer: "" Number of residues, atoms: 290, 2354 Classifications: {'peptide': 290} Link IDs: {'PTRANS': 24, 'TRANS': 265} Chain: "Af" Number of atoms: 1192 Number of conformers: 1 Conformer: "" Number of residues, atoms: 145, 1192 Classifications: {'peptide': 145} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 16, 'TRANS': 128} Chain: "Ah" Number of atoms: 3242 Number of conformers: 1 Conformer: "" Number of residues, atoms: 399, 3242 Classifications: {'peptide': 399} Link IDs: {'PTRANS': 20, 'TRANS': 378} Chain breaks: 1 Chain: "Ap" Number of atoms: 1775 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1775 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 8, 'TRANS': 205} Chain: "Al" Number of atoms: 1857 Number of conformers: 1 Conformer: "" Number of residues, atoms: 228, 1857 Classifications: {'peptide': 228} Link IDs: {'PTRANS': 16, 'TRANS': 211} Chain: "Ab" Number of atoms: 1413 Number of conformers: 1 Conformer: "" Number of residues, atoms: 168, 1413 Classifications: {'peptide': 168} Link IDs: {'PTRANS': 9, 'TRANS': 158} Chain: "Aa" Number of atoms: 1076 Number of conformers: 1 Conformer: "" Number of residues, atoms: 135, 1076 Classifications: {'peptide': 135} Link IDs: {'PTRANS': 9, 'TRANS': 125} Chain: "BP" Number of atoms: 1070 Number of conformers: 1 Conformer: "" Number of residues, atoms: 131, 1070 Classifications: {'peptide': 131} Link IDs: {'PTRANS': 14, 'TRANS': 116} Chain: "Az" Number of atoms: 1150 Number of conformers: 1 Conformer: "" Number of residues, atoms: 130, 1150 Classifications: {'peptide': 130} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 7, 'TRANS': 122} Chain: "Am" Number of atoms: 2435 Number of conformers: 1 Conformer: "" Number of residues, atoms: 296, 2435 Classifications: {'peptide': 296} Link IDs: {'PTRANS': 17, 'TRANS': 278} Chain: "As" Number of atoms: 1187 Number of conformers: 1 Conformer: "" Number of residues, atoms: 144, 1187 Classifications: {'peptide': 144} Link IDs: {'CIS': 2, 'PTRANS': 3, 'TRANS': 138} Chain: "BG" Number of atoms: 675 Number of conformers: 1 Conformer: "" Number of residues, atoms: 85, 675 Classifications: {'peptide': 85} Link IDs: {'PTRANS': 7, 'TRANS': 77} Chain: "Ad" Number of atoms: 1502 Number of conformers: 1 Conformer: "" Number of residues, atoms: 189, 1502 Classifications: {'peptide': 189} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 14, 'TRANS': 174} Chain breaks: 1 Chain: "Aw" Number of atoms: 1509 Number of conformers: 1 Conformer: "" Number of residues, atoms: 185, 1509 Classifications: {'peptide': 185} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 13, 'TRANS': 171} Chain: "BH" Number of atoms: 1394 Number of conformers: 1 Conformer: "" Number of residues, atoms: 181, 1394 Classifications: {'peptide': 181} Link IDs: {'PTRANS': 11, 'TRANS': 169} Chain: "Aj" Number of atoms: 2777 Number of conformers: 1 Conformer: "" Number of residues, atoms: 342, 2777 Classifications: {'peptide': 342} Link IDs: {'PTRANS': 17, 'TRANS': 324} Chain breaks: 1 Chain: "Ar" Number of atoms: 1644 Number of conformers: 1 Conformer: "" Number of residues, atoms: 195, 1644 Classifications: {'peptide': 195} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 8, 'TRANS': 186} Chain: "An" Number of atoms: 1946 Number of conformers: 1 Conformer: "" Number of residues, atoms: 238, 1946 Classifications: {'peptide': 238} Link IDs: {'PTRANS': 14, 'TRANS': 223} Chain: "BF" Number of atoms: 661 Number of conformers: 1 Conformer: "" Number of residues, atoms: 79, 661 Classifications: {'peptide': 79} Link IDs: {'PTRANS': 4, 'TRANS': 74} Chain: "Av" Number of atoms: 828 Number of conformers: 1 Conformer: "" Number of residues, atoms: 100, 828 Classifications: {'peptide': 100} Link IDs: {'PTRANS': 9, 'TRANS': 90} Chain: "BM" Number of atoms: 3069 Number of conformers: 1 Conformer: "" Number of residues, atoms: 389, 3069 Classifications: {'peptide': 389} Link IDs: {'CIS': 1, 'PTRANS': 22, 'TRANS': 365} Chain: "Ag" Number of atoms: 1031 Number of conformers: 1 Conformer: "" Number of residues, atoms: 124, 1031 Classifications: {'peptide': 124} Link IDs: {'PTRANS': 8, 'TRANS': 115} Chain: "Bl" Number of atoms: 1409 Number of conformers: 1 Conformer: "" Number of residues, atoms: 186, 1409 Classifications: {'peptide': 186} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 11, 'TRANS': 174} Chain: "Ax" Number of atoms: 1388 Number of conformers: 1 Conformer: "" Number of residues, atoms: 167, 1388 Classifications: {'peptide': 167} Link IDs: {'PTRANS': 11, 'TRANS': 155} Chain: "BS" Number of atoms: 978 Number of conformers: 1 Conformer: "" Number of residues, atoms: 125, 978 Classifications: {'peptide': 125} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 19, 'TRANS': 105} Chain breaks: 1 Chain: "BY" Number of atoms: 2111 Number of conformers: 1 Conformer: "" Number of residues, atoms: 275, 2111 Classifications: {'peptide': 275} Link IDs: {'CIS': 2, 'PTRANS': 16, 'TRANS': 256} Chain: "BX" Number of atoms: 2086 Number of conformers: 1 Conformer: "" Number of residues, atoms: 272, 2086 Classifications: {'peptide': 272} Link IDs: {'PTRANS': 16, 'TRANS': 255} Chain: "BZ" Number of atoms: 2829 Number of conformers: 1 Conformer: "" Number of residues, atoms: 351, 2829 Classifications: {'peptide': 351} Link IDs: {'CIS': 1, 'PTRANS': 25, 'TRANS': 324} Chain breaks: 1 Chain: "CC" Number of atoms: 668 Number of conformers: 1 Conformer: "" Number of residues, atoms: 84, 668 Classifications: {'peptide': 84} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 4, 'TRANS': 79} Chain: "CD" Number of atoms: 761 Number of conformers: 1 Conformer: "" Number of residues, atoms: 90, 761 Classifications: {'peptide': 90} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 3, 'TRANS': 86} Chain: "BT" Number of atoms: 2346 Number of conformers: 1 Conformer: "" Number of residues, atoms: 300, 2346 Classifications: {'peptide': 300} Link IDs: {'PTRANS': 20, 'TRANS': 279} Chain: "BU" Number of atoms: 3680 Number of conformers: 1 Conformer: "" Number of residues, atoms: 463, 3680 Classifications: {'peptide': 463} Link IDs: {'CIS': 1, 'PTRANS': 15, 'TRANS': 446} Chain: "BW" Number of atoms: 3589 Number of conformers: 1 Conformer: "" Number of residues, atoms: 447, 3589 Classifications: {'peptide': 447} Incomplete info: {'backbone_only': 1, 'truncation_to_alanine': 1} Link IDs: {'PTRANS': 22, 'TRANS': 424} Chain breaks: 1 Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 5 Unresolved non-hydrogen angles: 7 Unresolved non-hydrogen dihedrals: 4 Unresolved non-hydrogen chiralities: 1 Chain: "BV" Number of atoms: 1596 Number of conformers: 1 Conformer: "" Number of residues, atoms: 199, 1596 Classifications: {'peptide': 199} Link IDs: {'PTRANS': 10, 'TRANS': 188} Chain breaks: 1 Chain: "U7" Number of atoms: 200 Number of conformers: 1 Conformer: "" Number of residues, atoms: 40, 200 Classifications: {'peptide': 40} Incomplete info: {'truncation_to_alanine': 40} Link IDs: {'TRANS': 39} Unresolved non-hydrogen bonds: 80 Unresolved non-hydrogen angles: 120 Unresolved non-hydrogen dihedrals: 40 Planarities with less than four sites: {'UNK:plan-1': 40} Unresolved non-hydrogen planarities: 40 Chain: "U6" Number of atoms: 935 Number of conformers: 1 Conformer: "" Number of residues, atoms: 187, 935 Classifications: {'peptide': 187} Link IDs: {'CIS': 1, 'TRANS': 185} Chain: "U1" Number of atoms: 230 Number of conformers: 1 Conformer: "" Number of residues, atoms: 46, 230 Classifications: {'peptide': 46} Link IDs: {'TRANS': 45} Chain: "U3" Number of atoms: 375 Number of conformers: 1 Conformer: "" Number of residues, atoms: 75, 375 Classifications: {'peptide': 75} Link IDs: {'TRANS': 74} Chain: "U4" Number of atoms: 680 Number of conformers: 1 Conformer: "" Number of residues, atoms: 136, 680 Classifications: {'peptide': 136} Link IDs: {'TRANS': 135} Chain: "U5" Number of atoms: 470 Number of conformers: 1 Conformer: "" Number of residues, atoms: 94, 470 Classifications: {'peptide': 94} Link IDs: {'TRANS': 93} Chain: "BR" Number of atoms: 1703 Number of conformers: 1 Conformer: "" Number of residues, atoms: 214, 1703 Classifications: {'peptide': 214} Link IDs: {'PTRANS': 13, 'TRANS': 200} Chain breaks: 1 Chain: "U2" Number of atoms: 185 Number of conformers: 1 Conformer: "" Number of residues, atoms: 37, 185 Classifications: {'peptide': 37} Link IDs: {'TRANS': 36} Chain: "1" Number of atoms: 16777 Number of conformers: 1 Conformer: "" Number of residues, atoms: 797, 16777 Inner-chain residues flagged as termini: ['pdbres=" U 1 446 "', 'pdbres=" A 1 465 "'] Classifications: {'RNA': 797} Modifications used: {'5*END': 2, 'rna2p_pur': 105, 'rna2p_pyr': 143, 'rna3p_pur': 284, 'rna3p_pyr': 263} Link IDs: {'rna2p': 247, 'rna3p': 549} Chain breaks: 5 Unresolved chain link angles: 4 Unresolved non-hydrogen bonds: 8 Unresolved non-hydrogen angles: 14 Unresolved non-hydrogen chiralities: 2 Unresolved non-hydrogen planarities: 4 Chain: "R1" Number of atoms: 62 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 62 Classifications: {'RNA': 3} Modifications used: {'rna2p_pyr': 2, 'rna3p_pur': 1} Link IDs: {'rna2p': 1, 'rna3p': 1} Chain: "R2" Number of atoms: 665 Number of conformers: 1 Conformer: "" Number of residues, atoms: 34, 665 Inner-chain residues flagged as termini: ['pdbres=" UR2 128 "'] Classifications: {'RNA': 34} Modifications used: {'5*END': 1, 'rna2p_pyr': 13, 'rna3p_pyr': 20} Link IDs: {'rna2p': 12, 'rna3p': 21} Chain breaks: 2 Unresolved chain link angles: 2 Unresolved non-hydrogen bonds: 12 Unresolved non-hydrogen angles: 23 Unresolved non-hydrogen chiralities: 1 Unresolved non-hydrogen planarities: 10 Chain: "R5" Number of atoms: 100 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 100 Classifications: {'RNA': 5} Modifications used: {'rna2p_pyr': 1, 'rna3p_pyr': 4} Link IDs: {'rna3p': 4} Chain: "U8" Number of atoms: 295 Number of conformers: 1 Conformer: "" Number of residues, atoms: 59, 295 Classifications: {'peptide': 59} Link IDs: {'TRANS': 58} Chain: "BU" Number of atoms: 32 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 32 Unusual residues: {'GTP': 1} Classifications: {'undetermined': 1} Chain: "BW" Number of atoms: 31 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 31 Unusual residues: {'ATP': 1} Classifications: {'undetermined': 1} Time building chain proxies: 47.44, per 1000 atoms: 0.34 Number of scatterers: 139523 At special positions: 0 Unit cell: (271.2, 255.6, 279.6, 90, 90, 90) Space group: P 1 (No. 1) Number of sites at special positions: 0 Number of scattering types: 5 Type Number sf(0) S 546 16.00 P 842 15.00 O 27985 8.00 N 25119 7.00 C 85031 6.00 sf(0) = scattering factor at diffraction angle 0. Number of disulfides: simple=11, symmetry=0 Simple disulfide: pdb=" SG CYS T 63 " - pdb=" SG CYS T 73 " distance=2.03 Simple disulfide: pdb=" SG CYS T 63 " - pdb=" SG CYS T 78 " distance=2.03 Simple disulfide: pdb=" SG CYS T 73 " - pdb=" SG CYS T 78 " distance=2.04 Simple disulfide: pdb=" SG CYSBO 68 " - pdb=" SG CYSBO 74 " distance=2.04 Simple disulfide: pdb=" SG CYSAx 105 " - pdb=" SG CYSAx 108 " distance=2.03 Simple disulfide: pdb=" SG CYSAx 108 " - pdb=" SG CYSAx 142 " distance=2.03 Simple disulfide: pdb=" SG CYSAx 145 " - pdb=" SG CYSAx 148 " distance=2.04 Simple disulfide: pdb=" SG CYSAx 145 " - pdb=" SG CYSAx 166 " distance=2.02 Simple disulfide: pdb=" SG CYSAx 148 " - pdb=" SG CYSAx 166 " distance=2.04 Simple disulfide: pdb=" SG CYSAx 148 " - pdb=" SG CYSAx 169 " distance=2.04 Simple disulfide: pdb=" SG CYSAx 166 " - pdb=" SG CYSAx 169 " distance=2.01 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: 44.56 Conformation dependent library (CDL) restraints added in 14.1 seconds 30428 Ramachandran restraints generated. 15214 Oldfield, 0 Emsley, 15214 emsley8k and 0 Phi/Psi/2. Adding C-beta torsion restraints... Skipped Input volumes are d-peptide like pdb=" CB HIS G 310 " Number of C-beta restraints generated: 29182 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... Warning! O4 atom is missing from residue U 11094 Was trying to link: A 1 875 N6 with U 11094 O4, Saenger class: 20 Warning! O2 atom is missing from residue U 11094 Was trying to link: A 1 875 N6 with U 11094 O2, Saenger class: 21 Warning! O4 atom is missing from residue U 11094 Was trying to link: A 1 875 N6 with U 11094 O4, Saenger class: 23 Warning! O2 atom is missing from residue U 11094 Was trying to link: A 1 875 N6 with U 11094 O2, Saenger class: 24 Secondary structure from input PDB file: 577 helices and 89 sheets defined 46.6% alpha, 8.4% beta 47 base pairs and 261 stacking pairs defined. Time for finding SS restraints: 56.84 Creating SS restraints... Processing helix chain 'A' and resid 43 through 48 removed outlier: 4.487A pdb=" N ARG A 47 " --> pdb=" O GLU A 43 " (cutoff:3.500A) removed outlier: 5.397A pdb=" N ASP A 48 " --> pdb=" O GLU A 44 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 43 through 48' Processing helix chain 'A' and resid 87 through 104 removed outlier: 3.748A pdb=" N TYR A 94 " --> pdb=" O ARG A 90 " (cutoff:3.500A) Processing helix chain 'A' and resid 108 through 116 removed outlier: 4.117A pdb=" N TYR A 112 " --> pdb=" O TYR A 108 " (cutoff:3.500A) removed outlier: 4.840A pdb=" N ALA A 113 " --> pdb=" O GLN A 109 " (cutoff:3.500A) removed outlier: 5.847A pdb=" N TRP A 114 " --> pdb=" O ASP A 110 " (cutoff:3.500A) removed outlier: 5.036A pdb=" N ASP A 115 " --> pdb=" O THR A 111 " (cutoff:3.500A) Processing helix chain 'A' and resid 191 through 202 removed outlier: 4.451A pdb=" N PHE A 197 " --> pdb=" O HIS A 193 " (cutoff:3.500A) removed outlier: 3.689A pdb=" N ALA A 201 " --> pdb=" O PHE A 197 " (cutoff:3.500A) Processing helix chain 'A' and resid 250 through 255 Processing helix chain 'A' and resid 363 through 368 removed outlier: 4.291A pdb=" N LEU A 367 " --> pdb=" O ASP A 363 " (cutoff:3.500A) removed outlier: 5.242A pdb=" N ALA A 368 " --> pdb=" O LEU A 364 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 363 through 368' Processing helix chain 'A' and resid 227 through 232 removed outlier: 3.553A pdb=" N HIS A 230 " --> pdb=" O ASP A 227 " (cutoff:3.500A) removed outlier: 4.762A pdb=" N LYS A 232 " --> pdb=" O ARG A 229 " (cutoff:3.500A) Processing helix chain 'B' and resid 117 through 139 removed outlier: 4.746A pdb=" N LYS B 123 " --> pdb=" O GLU B 119 " (cutoff:3.500A) removed outlier: 3.674A pdb=" N VAL B 130 " --> pdb=" O SER B 126 " (cutoff:3.500A) removed outlier: 5.259A pdb=" N GLN B 133 " --> pdb=" O LEU B 129 " (cutoff:3.500A) removed outlier: 6.231A pdb=" N ASN B 134 " --> pdb=" O VAL B 130 " (cutoff:3.500A) removed outlier: 6.860A pdb=" N PHE B 135 " --> pdb=" O ARG B 131 " (cutoff:3.500A) removed outlier: 10.548A pdb=" N SER B 136 " --> pdb=" O CYS B 132 " (cutoff:3.500A) removed outlier: 7.235A pdb=" N SER B 137 " --> pdb=" O GLN B 133 " (cutoff:3.500A) removed outlier: 4.291A pdb=" N LYS B 138 " --> pdb=" O ASN B 134 " (cutoff:3.500A) removed outlier: 4.561A pdb=" N TRP B 139 " --> pdb=" O PHE B 135 " (cutoff:3.500A) Processing helix chain 'B' and resid 192 through 211 removed outlier: 3.632A pdb=" N SER B 199 " --> pdb=" O THR B 195 " (cutoff:3.500A) removed outlier: 3.614A pdb=" N LEU B 206 " --> pdb=" O MET B 202 " (cutoff:3.500A) removed outlier: 3.640A pdb=" N MET B 208 " --> pdb=" O VAL B 204 " (cutoff:3.500A) removed outlier: 3.884A pdb=" N GLY B 211 " --> pdb=" O LYS B 207 " (cutoff:3.500A) Processing helix chain 'B' and resid 225 through 237 removed outlier: 4.040A pdb=" N TYR B 229 " --> pdb=" O THR B 225 " (cutoff:3.500A) Processing helix chain 'B' and resid 263 through 271 removed outlier: 4.126A pdb=" N PHE B 271 " --> pdb=" O PHE B 267 " (cutoff:3.500A) Processing helix chain 'B' and resid 316 through 324 removed outlier: 3.598A pdb=" N ALA B 320 " --> pdb=" O ASN B 316 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N LEU B 321 " --> pdb=" O ALA B 317 " (cutoff:3.500A) removed outlier: 5.223A pdb=" N ASP B 324 " --> pdb=" O ALA B 320 " (cutoff:3.500A) Processing helix chain 'B' and resid 329 through 348 removed outlier: 4.260A pdb=" N THR B 342 " --> pdb=" O ASP B 338 " (cutoff:3.500A) removed outlier: 4.457A pdb=" N HIS B 343 " --> pdb=" O GLU B 339 " (cutoff:3.500A) removed outlier: 3.694A pdb=" N ALA B 346 " --> pdb=" O THR B 342 " (cutoff:3.500A) removed outlier: 3.883A pdb=" N LEU B 348 " --> pdb=" O LYS B 344 " (cutoff:3.500A) Processing helix chain 'B' and resid 349 through 360 removed outlier: 4.328A pdb=" N GLN B 355 " --> pdb=" O HIS B 351 " (cutoff:3.500A) removed outlier: 3.738A pdb=" N LEU B 356 " --> pdb=" O ILE B 352 " (cutoff:3.500A) Proline residue: B 357 - end of helix Processing helix chain 'B' and resid 376 through 391 removed outlier: 3.759A pdb=" N ALA B 383 " --> pdb=" O MET B 379 " (cutoff:3.500A) removed outlier: 5.079A pdb=" N ALA B 391 " --> pdb=" O GLU B 387 " (cutoff:3.500A) Processing helix chain 'B' and resid 109 through 114 Processing helix chain 'C' and resid 28 through 33 removed outlier: 3.829A pdb=" N VAL C 32 " --> pdb=" O PRO C 28 " (cutoff:3.500A) removed outlier: 5.329A pdb=" N GLY C 33 " --> pdb=" O GLY C 29 " (cutoff:3.500A) No H-bonds generated for 'chain 'C' and resid 28 through 33' Processing helix chain 'C' and resid 43 through 50 Proline residue: C 50 - end of helix Processing helix chain 'C' and resid 51 through 59 removed outlier: 4.401A pdb=" N SER C 58 " --> pdb=" O ARG C 54 " (cutoff:3.500A) removed outlier: 5.104A pdb=" N THR C 59 " --> pdb=" O MET C 55 " (cutoff:3.500A) Processing helix chain 'C' and resid 60 through 68 removed outlier: 3.831A pdb=" N LYS C 65 " --> pdb=" O ALA C 61 " (cutoff:3.500A) removed outlier: 4.611A pdb=" N GLU C 68 " --> pdb=" O MET C 64 " (cutoff:3.500A) Processing helix chain 'C' and resid 82 through 87 removed outlier: 6.696A pdb=" N VAL C 87 " --> pdb=" O LEU C 83 " (cutoff:3.500A) Processing helix chain 'C' and resid 92 through 97 removed outlier: 4.429A pdb=" N HIS C 96 " --> pdb=" O ASP C 92 " (cutoff:3.500A) removed outlier: 3.766A pdb=" N ARG C 97 " --> pdb=" O HIS C 93 " (cutoff:3.500A) No H-bonds generated for 'chain 'C' and resid 92 through 97' Processing helix chain 'C' and resid 140 through 146 Processing helix chain 'C' and resid 147 through 152 removed outlier: 4.036A pdb=" N GLN C 151 " --> pdb=" O GLU C 147 " (cutoff:3.500A) removed outlier: 4.768A pdb=" N ARG C 152 " --> pdb=" O LEU C 148 " (cutoff:3.500A) No H-bonds generated for 'chain 'C' and resid 147 through 152' Processing helix chain 'C' and resid 158 through 166 removed outlier: 4.671A pdb=" N LYS C 163 " --> pdb=" O GLU C 159 " (cutoff:3.500A) removed outlier: 3.964A pdb=" N GLY C 166 " --> pdb=" O TYR C 162 " (cutoff:3.500A) Processing helix chain 'C' and resid 181 through 197 removed outlier: 3.854A pdb=" N GLU C 190 " --> pdb=" O LYS C 186 " (cutoff:3.500A) removed outlier: 3.517A pdb=" N GLN C 192 " --> pdb=" O LEU C 188 " (cutoff:3.500A) removed outlier: 3.869A pdb=" N TYR C 194 " --> pdb=" O GLU C 190 " (cutoff:3.500A) removed outlier: 3.629A pdb=" N GLU C 197 " --> pdb=" O SER C 193 " (cutoff:3.500A) Processing helix chain 'C' and resid 198 through 204 removed outlier: 4.563A pdb=" N ILE C 203 " --> pdb=" O TRP C 199 " (cutoff:3.500A) removed outlier: 5.494A pdb=" N GLU C 204 " --> pdb=" O LYS C 200 " (cutoff:3.500A) Processing helix chain 'E' and resid 28 through 40 removed outlier: 3.567A pdb=" N GLU E 32 " --> pdb=" O ASP E 28 " (cutoff:3.500A) removed outlier: 4.220A pdb=" N ALA E 33 " --> pdb=" O PRO E 29 " (cutoff:3.500A) removed outlier: 3.996A pdb=" N PHE E 39 " --> pdb=" O ALA E 35 " (cutoff:3.500A) removed outlier: 3.623A pdb=" N ALA E 40 " --> pdb=" O LYS E 36 " (cutoff:3.500A) Processing helix chain 'E' and resid 65 through 75 removed outlier: 4.246A pdb=" N LEU E 75 " --> pdb=" O GLU E 71 " (cutoff:3.500A) Processing helix chain 'E' and resid 78 through 91 removed outlier: 5.393A pdb=" N PHE E 82 " --> pdb=" O LYS E 78 " (cutoff:3.500A) removed outlier: 3.810A pdb=" N ARG E 89 " --> pdb=" O ALA E 85 " (cutoff:3.500A) Processing helix chain 'E' and resid 123 through 129 removed outlier: 5.204A pdb=" N ARG E 127 " --> pdb=" O TRP E 123 " (cutoff:3.500A) removed outlier: 3.557A pdb=" N ALA E 128 " --> pdb=" O PHE E 124 " (cutoff:3.500A) Processing helix chain 'E' and resid 132 through 137 removed outlier: 6.707A pdb=" N GLY E 137 " --> pdb=" O ARG E 133 " (cutoff:3.500A) Processing helix chain 'E' and resid 150 through 162 removed outlier: 5.086A pdb=" N TYR E 155 " --> pdb=" O LEU E 151 " (cutoff:3.500A) removed outlier: 4.091A pdb=" N ILE E 157 " --> pdb=" O MET E 153 " (cutoff:3.500A) removed outlier: 4.036A pdb=" N ALA E 158 " --> pdb=" O CYS E 154 " (cutoff:3.500A) removed outlier: 3.795A pdb=" N LYS E 159 " --> pdb=" O TYR E 155 " (cutoff:3.500A) removed outlier: 4.084A pdb=" N MET E 160 " --> pdb=" O GLU E 156 " (cutoff:3.500A) removed outlier: 3.838A pdb=" N LYS E 161 " --> pdb=" O ILE E 157 " (cutoff:3.500A) removed outlier: 4.798A pdb=" N GLN E 162 " --> pdb=" O ALA E 158 " (cutoff:3.500A) Processing helix chain 'E' and resid 172 through 187 removed outlier: 4.295A pdb=" N ARG E 176 " --> pdb=" O PRO E 172 " (cutoff:3.500A) removed outlier: 4.689A pdb=" N ARG E 178 " --> pdb=" O GLU E 174 " (cutoff:3.500A) removed outlier: 5.032A pdb=" N ARG E 179 " --> pdb=" O VAL E 175 " (cutoff:3.500A) removed outlier: 3.904A pdb=" N VAL E 180 " --> pdb=" O ARG E 176 " (cutoff:3.500A) removed outlier: 3.700A pdb=" N VAL E 181 " --> pdb=" O VAL E 177 " (cutoff:3.500A) Processing helix chain 'E' and resid 191 through 196 removed outlier: 4.376A pdb=" N ASP E 195 " --> pdb=" O ILE E 191 " (cutoff:3.500A) removed outlier: 4.547A pdb=" N THR E 196 " --> pdb=" O ILE E 192 " (cutoff:3.500A) No H-bonds generated for 'chain 'E' and resid 191 through 196' Processing helix chain 'E' and resid 212 through 237 removed outlier: 4.854A pdb=" N LYS E 216 " --> pdb=" O GLU E 212 " (cutoff:3.500A) removed outlier: 4.498A pdb=" N HIS E 217 " --> pdb=" O GLU E 213 " (cutoff:3.500A) removed outlier: 3.644A pdb=" N LYS E 219 " --> pdb=" O GLU E 215 " (cutoff:3.500A) removed outlier: 4.271A pdb=" N HIS E 221 " --> pdb=" O HIS E 217 " (cutoff:3.500A) removed outlier: 3.624A pdb=" N GLN E 224 " --> pdb=" O VAL E 220 " (cutoff:3.500A) removed outlier: 3.517A pdb=" N GLU E 226 " --> pdb=" O MET E 222 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N ALA E 227 " --> pdb=" O ILE E 223 " (cutoff:3.500A) removed outlier: 4.297A pdb=" N ALA E 230 " --> pdb=" O GLU E 226 " (cutoff:3.500A) removed outlier: 3.674A pdb=" N GLU E 232 " --> pdb=" O LEU E 228 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N LEU E 233 " --> pdb=" O LYS E 229 " (cutoff:3.500A) removed outlier: 3.716A pdb=" N GLU E 234 " --> pdb=" O ALA E 230 " (cutoff:3.500A) Proline residue: E 237 - end of helix Processing helix chain 'F' and resid 22 through 35 removed outlier: 3.591A pdb=" N ALA F 27 " --> pdb=" O LEU F 23 " (cutoff:3.500A) removed outlier: 4.578A pdb=" N LYS F 28 " --> pdb=" O PRO F 24 " (cutoff:3.500A) removed outlier: 3.771A pdb=" N ALA F 31 " --> pdb=" O ALA F 27 " (cutoff:3.500A) Processing helix chain 'F' and resid 65 through 70 removed outlier: 4.214A pdb=" N VAL F 70 " --> pdb=" O ASN F 66 " (cutoff:3.500A) Processing helix chain 'F' and resid 86 through 94 removed outlier: 4.063A pdb=" N GLU F 92 " --> pdb=" O SER F 88 " (cutoff:3.500A) removed outlier: 3.881A pdb=" N ARG F 93 " --> pdb=" O GLU F 89 " (cutoff:3.500A) Processing helix chain 'F' and resid 95 through 111 removed outlier: 3.707A pdb=" N MET F 99 " --> pdb=" O PRO F 95 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N GLU F 106 " --> pdb=" O TYR F 102 " (cutoff:3.500A) removed outlier: 3.904A pdb=" N ARG F 109 " --> pdb=" O ASP F 105 " (cutoff:3.500A) removed outlier: 4.108A pdb=" N HIS F 110 " --> pdb=" O GLU F 106 " (cutoff:3.500A) Processing helix chain 'F' and resid 114 through 125 removed outlier: 3.731A pdb=" N ALA F 120 " --> pdb=" O LYS F 116 " (cutoff:3.500A) Proline residue: F 121 - end of helix removed outlier: 4.187A pdb=" N LYS F 124 " --> pdb=" O ALA F 120 " (cutoff:3.500A) removed outlier: 4.488A pdb=" N ALA F 125 " --> pdb=" O PRO F 121 " (cutoff:3.500A) Processing helix chain 'G' and resid 16 through 22 removed outlier: 4.521A pdb=" N THR G 20 " --> pdb=" O PRO G 16 " (cutoff:3.500A) removed outlier: 4.304A pdb=" N VAL G 21 " --> pdb=" O VAL G 17 " (cutoff:3.500A) Proline residue: G 22 - end of helix No H-bonds generated for 'chain 'G' and resid 16 through 22' Processing helix chain 'G' and resid 27 through 33 removed outlier: 3.703A pdb=" N ILE G 31 " --> pdb=" O PRO G 27 " (cutoff:3.500A) Proline residue: G 33 - end of helix Processing helix chain 'G' and resid 68 through 73 removed outlier: 3.669A pdb=" N ARG G 73 " --> pdb=" O ARG G 69 " (cutoff:3.500A) Processing helix chain 'G' and resid 80 through 88 removed outlier: 3.541A pdb=" N GLN G 84 " --> pdb=" O SER G 80 " (cutoff:3.500A) Proline residue: G 88 - end of helix Processing helix chain 'G' and resid 93 through 98 removed outlier: 4.162A pdb=" N LEU G 97 " --> pdb=" O SER G 93 " (cutoff:3.500A) removed outlier: 5.074A pdb=" N THR G 98 " --> pdb=" O TRP G 94 " (cutoff:3.500A) No H-bonds generated for 'chain 'G' and resid 93 through 98' Processing helix chain 'G' and resid 127 through 136 removed outlier: 3.875A pdb=" N ARG G 135 " --> pdb=" O ASN G 131 " (cutoff:3.500A) removed outlier: 3.515A pdb=" N GLY G 136 " --> pdb=" O ASP G 132 " (cutoff:3.500A) Processing helix chain 'G' and resid 149 through 154 removed outlier: 3.921A pdb=" N LEU G 153 " --> pdb=" O PRO G 149 " (cutoff:3.500A) Processing helix chain 'G' and resid 176 through 187 removed outlier: 3.746A pdb=" N LEU G 180 " --> pdb=" O SER G 176 " (cutoff:3.500A) removed outlier: 3.673A pdb=" N ALA G 183 " --> pdb=" O LYS G 179 " (cutoff:3.500A) removed outlier: 4.044A pdb=" N ASP G 185 " --> pdb=" O LEU G 181 " (cutoff:3.500A) removed outlier: 3.719A pdb=" N GLY G 187 " --> pdb=" O ALA G 183 " (cutoff:3.500A) Processing helix chain 'G' and resid 196 through 204 removed outlier: 3.685A pdb=" N LEU G 200 " --> pdb=" O THR G 196 " (cutoff:3.500A) Processing helix chain 'G' and resid 207 through 212 removed outlier: 4.239A pdb=" N VAL G 211 " --> pdb=" O ALA G 207 " (cutoff:3.500A) removed outlier: 5.389A pdb=" N VAL G 212 " --> pdb=" O ASP G 208 " (cutoff:3.500A) No H-bonds generated for 'chain 'G' and resid 207 through 212' Processing helix chain 'G' and resid 238 through 249 removed outlier: 4.036A pdb=" N GLY G 249 " --> pdb=" O LEU G 245 " (cutoff:3.500A) Processing helix chain 'G' and resid 258 through 268 Proline residue: G 268 - end of helix Processing helix chain 'G' and resid 281 through 288 removed outlier: 3.822A pdb=" N ASN G 287 " --> pdb=" O LYS G 283 " (cutoff:3.500A) Processing helix chain 'G' and resid 298 through 304 removed outlier: 3.730A pdb=" N ASP G 304 " --> pdb=" O GLN G 300 " (cutoff:3.500A) Processing helix chain 'G' and resid 313 through 319 removed outlier: 5.894A pdb=" N THR G 317 " --> pdb=" O ALA G 313 " (cutoff:3.500A) removed outlier: 4.514A pdb=" N ALA G 318 " --> pdb=" O GLY G 314 " (cutoff:3.500A) removed outlier: 5.249A pdb=" N HIS G 319 " --> pdb=" O ARG G 315 " (cutoff:3.500A) No H-bonds generated for 'chain 'G' and resid 313 through 319' Processing helix chain 'G' and resid 329 through 334 removed outlier: 4.621A pdb=" N GLU G 334 " --> pdb=" O PHE G 329 " (cutoff:3.500A) No H-bonds generated for 'chain 'G' and resid 329 through 334' Processing helix chain 'I' and resid 62 through 81 removed outlier: 3.750A pdb=" N GLU I 76 " --> pdb=" O ARG I 72 " (cutoff:3.500A) removed outlier: 3.606A pdb=" N LEU I 77 " --> pdb=" O MET I 73 " (cutoff:3.500A) removed outlier: 4.214A pdb=" N ARG I 79 " --> pdb=" O THR I 75 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N LYS I 80 " --> pdb=" O GLU I 76 " (cutoff:3.500A) removed outlier: 3.832A pdb=" N ASP I 81 " --> pdb=" O LEU I 77 " (cutoff:3.500A) Processing helix chain 'I' and resid 88 through 107 removed outlier: 3.909A pdb=" N ALA I 92 " --> pdb=" O ALA I 88 " (cutoff:3.500A) removed outlier: 4.134A pdb=" N LEU I 96 " --> pdb=" O ALA I 92 " (cutoff:3.500A) removed outlier: 3.519A pdb=" N VAL I 101 " --> pdb=" O ALA I 97 " (cutoff:3.500A) removed outlier: 3.906A pdb=" N ALA I 106 " --> pdb=" O GLU I 102 " (cutoff:3.500A) removed outlier: 3.872A pdb=" N GLY I 107 " --> pdb=" O LEU I 103 " (cutoff:3.500A) Processing helix chain 'I' and resid 108 through 120 removed outlier: 3.808A pdb=" N ARG I 112 " --> pdb=" O ASP I 108 " (cutoff:3.500A) removed outlier: 4.071A pdb=" N GLN I 113 " --> pdb=" O THR I 109 " (cutoff:3.500A) removed outlier: 3.956A pdb=" N TYR I 117 " --> pdb=" O GLN I 113 " (cutoff:3.500A) removed outlier: 3.995A pdb=" N PHE I 118 " --> pdb=" O GLN I 114 " (cutoff:3.500A) removed outlier: 5.901A pdb=" N HIS I 120 " --> pdb=" O ALA I 116 " (cutoff:3.500A) Processing helix chain 'I' and resid 121 through 136 removed outlier: 3.870A pdb=" N VAL I 125 " --> pdb=" O ASP I 121 " (cutoff:3.500A) removed outlier: 4.228A pdb=" N ASP I 126 " --> pdb=" O PRO I 122 " (cutoff:3.500A) Proline residue: I 133 - end of helix Processing helix chain 'I' and resid 202 through 218 removed outlier: 4.211A pdb=" N GLN I 206 " --> pdb=" O PRO I 202 " (cutoff:3.500A) removed outlier: 4.237A pdb=" N MET I 207 " --> pdb=" O PRO I 203 " (cutoff:3.500A) removed outlier: 3.951A pdb=" N PHE I 209 " --> pdb=" O MET I 205 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N ARG I 211 " --> pdb=" O MET I 207 " (cutoff:3.500A) removed outlier: 3.866A pdb=" N TRP I 212 " --> pdb=" O ALA I 208 " (cutoff:3.500A) removed outlier: 4.550A pdb=" N LYS I 215 " --> pdb=" O ARG I 211 " (cutoff:3.500A) removed outlier: 4.353A pdb=" N PHE I 216 " --> pdb=" O TRP I 212 " (cutoff:3.500A) removed outlier: 4.793A pdb=" N LYS I 217 " --> pdb=" O ALA I 213 " (cutoff:3.500A) removed outlier: 5.443A pdb=" N THR I 218 " --> pdb=" O SER I 214 " (cutoff:3.500A) Processing helix chain 'I' and resid 219 through 236 removed outlier: 3.775A pdb=" N LEU I 227 " --> pdb=" O HIS I 223 " (cutoff:3.500A) removed outlier: 3.926A pdb=" N HIS I 229 " --> pdb=" O TRP I 225 " (cutoff:3.500A) removed outlier: 3.518A pdb=" N ALA I 230 " --> pdb=" O ARG I 226 " (cutoff:3.500A) Processing helix chain 'I' and resid 252 through 260 removed outlier: 3.923A pdb=" N GLU I 256 " --> pdb=" O GLU I 252 " (cutoff:3.500A) removed outlier: 4.499A pdb=" N GLU I 257 " --> pdb=" O LYS I 253 " (cutoff:3.500A) removed outlier: 4.416A pdb=" N TRP I 258 " --> pdb=" O GLU I 254 " (cutoff:3.500A) Processing helix chain 'J' and resid 9 through 14 removed outlier: 3.523A pdb=" N SER J 14 " --> pdb=" O HIS J 10 " (cutoff:3.500A) Processing helix chain 'J' and resid 16 through 24 removed outlier: 3.865A pdb=" N PHE J 20 " --> pdb=" O ALA J 16 " (cutoff:3.500A) removed outlier: 5.777A pdb=" N SER J 21 " --> pdb=" O ASN J 17 " (cutoff:3.500A) removed outlier: 6.123A pdb=" N ARG J 22 " --> pdb=" O ALA J 18 " (cutoff:3.500A) removed outlier: 4.288A pdb=" N LEU J 23 " --> pdb=" O PHE J 19 " (cutoff:3.500A) Proline residue: J 24 - end of helix No H-bonds generated for 'chain 'J' and resid 16 through 24' Processing helix chain 'J' and resid 25 through 40 removed outlier: 3.522A pdb=" N ARG J 30 " --> pdb=" O SER J 26 " (cutoff:3.500A) removed outlier: 3.571A pdb=" N ALA J 31 " --> pdb=" O ARG J 27 " (cutoff:3.500A) removed outlier: 3.922A pdb=" N GLU J 35 " --> pdb=" O ALA J 31 " (cutoff:3.500A) removed outlier: 3.623A pdb=" N ALA J 36 " --> pdb=" O LEU J 32 " (cutoff:3.500A) removed outlier: 4.155A pdb=" N GLY J 40 " --> pdb=" O ALA J 36 " (cutoff:3.500A) Processing helix chain 'J' and resid 48 through 53 removed outlier: 5.099A pdb=" N ILE J 52 " --> pdb=" O THR J 48 " (cutoff:3.500A) Processing helix chain 'J' and resid 120 through 139 removed outlier: 4.423A pdb=" N ASP J 126 " --> pdb=" O GLU J 122 " (cutoff:3.500A) removed outlier: 3.549A pdb=" N GLY J 138 " --> pdb=" O ALA J 134 " (cutoff:3.500A) removed outlier: 4.315A pdb=" N ARG J 139 " --> pdb=" O TRP J 135 " (cutoff:3.500A) Processing helix chain 'K' and resid 13 through 22 removed outlier: 4.031A pdb=" N ARG K 19 " --> pdb=" O ALA K 15 " (cutoff:3.500A) removed outlier: 3.902A pdb=" N LEU K 20 " --> pdb=" O GLU K 16 " (cutoff:3.500A) removed outlier: 4.444A pdb=" N ARG K 21 " --> pdb=" O LEU K 17 " (cutoff:3.500A) removed outlier: 4.862A pdb=" N GLY K 22 " --> pdb=" O ASP K 18 " (cutoff:3.500A) Processing helix chain 'K' and resid 25 through 32 removed outlier: 4.055A pdb=" N LEU K 30 " --> pdb=" O GLY K 26 " (cutoff:3.500A) removed outlier: 5.322A pdb=" N ARG K 32 " --> pdb=" O ALA K 28 " (cutoff:3.500A) Processing helix chain 'K' and resid 33 through 52 removed outlier: 3.549A pdb=" N ARG K 38 " --> pdb=" O VAL K 34 " (cutoff:3.500A) removed outlier: 3.501A pdb=" N PHE K 41 " --> pdb=" O LYS K 37 " (cutoff:3.500A) removed outlier: 3.585A pdb=" N ARG K 44 " --> pdb=" O THR K 40 " (cutoff:3.500A) removed outlier: 3.586A pdb=" N ARG K 48 " --> pdb=" O ARG K 44 " (cutoff:3.500A) removed outlier: 3.653A pdb=" N VAL K 51 " --> pdb=" O THR K 47 " (cutoff:3.500A) removed outlier: 3.583A pdb=" N GLU K 52 " --> pdb=" O ARG K 48 " (cutoff:3.500A) Processing helix chain 'K' and resid 53 through 74 removed outlier: 3.526A pdb=" N TRP K 57 " --> pdb=" O GLN K 53 " (cutoff:3.500A) removed outlier: 4.063A pdb=" N ALA K 60 " --> pdb=" O HIS K 56 " (cutoff:3.500A) removed outlier: 3.982A pdb=" N VAL K 62 " --> pdb=" O GLU K 58 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N ARG K 63 " --> pdb=" O ARG K 59 " (cutoff:3.500A) removed outlier: 3.591A pdb=" N ASN K 65 " --> pdb=" O ILE K 61 " (cutoff:3.500A) removed outlier: 3.738A pdb=" N ASP K 67 " --> pdb=" O ARG K 63 " (cutoff:3.500A) removed outlier: 3.874A pdb=" N GLU K 72 " --> pdb=" O SER K 68 " (cutoff:3.500A) removed outlier: 4.869A pdb=" N HIS K 73 " --> pdb=" O ALA K 69 " (cutoff:3.500A) Processing helix chain 'K' and resid 76 through 88 removed outlier: 4.474A pdb=" N ASN K 82 " --> pdb=" O GLN K 78 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N ALA K 85 " --> pdb=" O ARG K 81 " (cutoff:3.500A) removed outlier: 3.652A pdb=" N GLN K 87 " --> pdb=" O ASP K 83 " (cutoff:3.500A) removed outlier: 3.860A pdb=" N ASN K 88 " --> pdb=" O LEU K 84 " (cutoff:3.500A) Processing helix chain 'K' and resid 92 through 102 removed outlier: 3.878A pdb=" N GLN K 97 " --> pdb=" O PRO K 93 " (cutoff:3.500A) Processing helix chain 'K' and resid 103 through 116 removed outlier: 3.542A pdb=" N ALA K 115 " --> pdb=" O MET K 111 " (cutoff:3.500A) Processing helix chain 'K' and resid 130 through 136 removed outlier: 4.428A pdb=" N TYR K 134 " --> pdb=" O PRO K 130 " (cutoff:3.500A) removed outlier: 5.774A pdb=" N THR K 136 " --> pdb=" O GLU K 132 " (cutoff:3.500A) Processing helix chain 'K' and resid 145 through 162 removed outlier: 3.757A pdb=" N ARG K 150 " --> pdb=" O PRO K 146 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N GLU K 153 " --> pdb=" O ARG K 149 " (cutoff:3.500A) removed outlier: 3.761A pdb=" N THR K 162 " --> pdb=" O ARG K 158 " (cutoff:3.500A) Processing helix chain 'K' and resid 166 through 171 removed outlier: 4.152A pdb=" N ARG K 170 " --> pdb=" O ASP K 166 " (cutoff:3.500A) Processing helix chain 'K' and resid 175 through 188 removed outlier: 3.901A pdb=" N ASP K 181 " --> pdb=" O GLN K 177 " (cutoff:3.500A) removed outlier: 3.687A pdb=" N ALA K 182 " --> pdb=" O ALA K 178 " (cutoff:3.500A) removed outlier: 5.473A pdb=" N TRP K 183 " --> pdb=" O TRP K 179 " (cutoff:3.500A) removed outlier: 6.229A pdb=" N LYS K 184 " --> pdb=" O MET K 180 " (cutoff:3.500A) removed outlier: 3.789A pdb=" N GLU K 185 " --> pdb=" O ASP K 181 " (cutoff:3.500A) removed outlier: 4.527A pdb=" N TYR K 186 " --> pdb=" O ALA K 182 " (cutoff:3.500A) removed outlier: 4.153A pdb=" N ASP K 187 " --> pdb=" O TRP K 183 " (cutoff:3.500A) removed outlier: 5.632A pdb=" N LEU K 188 " --> pdb=" O LYS K 184 " (cutoff:3.500A) Processing helix chain 'L' and resid 6 through 18 removed outlier: 4.303A pdb=" N GLN L 14 " --> pdb=" O ALA L 10 " (cutoff:3.500A) Proline residue: L 15 - end of helix removed outlier: 4.618A pdb=" N GLU L 18 " --> pdb=" O GLN L 14 " (cutoff:3.500A) Processing helix chain 'L' and resid 166 through 172 removed outlier: 3.604A pdb=" N GLU L 171 " --> pdb=" O ASN L 167 " (cutoff:3.500A) removed outlier: 4.280A pdb=" N ALA L 172 " --> pdb=" O LYS L 168 " (cutoff:3.500A) Processing helix chain 'M' and resid 110 through 130 removed outlier: 3.679A pdb=" N CYS M 115 " --> pdb=" O TRP M 111 " (cutoff:3.500A) removed outlier: 3.939A pdb=" N LEU M 118 " --> pdb=" O TYR M 114 " (cutoff:3.500A) removed outlier: 3.957A pdb=" N GLN M 123 " --> pdb=" O GLU M 119 " (cutoff:3.500A) removed outlier: 4.289A pdb=" N GLN M 128 " --> pdb=" O LYS M 124 " (cutoff:3.500A) removed outlier: 3.969A pdb=" N LEU M 129 " --> pdb=" O ALA M 125 " (cutoff:3.500A) Proline residue: M 130 - end of helix Processing helix chain 'M' and resid 142 through 154 removed outlier: 4.049A pdb=" N ILE M 148 " --> pdb=" O LYS M 144 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N GLU M 149 " --> pdb=" O LYS M 145 " (cutoff:3.500A) removed outlier: 4.216A pdb=" N VAL M 152 " --> pdb=" O ILE M 148 " (cutoff:3.500A) removed outlier: 4.828A pdb=" N LEU M 153 " --> pdb=" O GLU M 149 " (cutoff:3.500A) Processing helix chain 'M' and resid 157 through 169 removed outlier: 3.844A pdb=" N ALA M 163 " --> pdb=" O ARG M 159 " (cutoff:3.500A) removed outlier: 3.903A pdb=" N GLN M 164 " --> pdb=" O GLU M 160 " (cutoff:3.500A) removed outlier: 3.500A pdb=" N LYS M 166 " --> pdb=" O MET M 162 " (cutoff:3.500A) removed outlier: 3.905A pdb=" N LEU M 167 " --> pdb=" O ALA M 163 " (cutoff:3.500A) removed outlier: 3.672A pdb=" N SER M 168 " --> pdb=" O GLN M 164 " (cutoff:3.500A) Proline residue: M 169 - end of helix Processing helix chain 'M' and resid 170 through 191 removed outlier: 3.785A pdb=" N GLN M 184 " --> pdb=" O LEU M 180 " (cutoff:3.500A) removed outlier: 4.236A pdb=" N ALA M 187 " --> pdb=" O ALA M 183 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N GLU M 188 " --> pdb=" O GLN M 184 " (cutoff:3.500A) Processing helix chain 'M' and resid 250 through 255 Processing helix chain 'M' and resid 72 through 77 removed outlier: 3.792A pdb=" N LEU M 77 " --> pdb=" O LEU M 72 " (cutoff:3.500A) No H-bonds generated for 'chain 'M' and resid 72 through 77' Processing helix chain 'N' and resid 72 through 77 removed outlier: 3.779A pdb=" N TYR N 76 " --> pdb=" O THR N 72 " (cutoff:3.500A) Processing helix chain 'N' and resid 107 through 119 removed outlier: 5.245A pdb=" N LEU N 111 " --> pdb=" O GLY N 107 " (cutoff:3.500A) removed outlier: 3.713A pdb=" N VAL N 112 " --> pdb=" O LYS N 108 " (cutoff:3.500A) removed outlier: 3.981A pdb=" N ALA N 116 " --> pdb=" O VAL N 112 " (cutoff:3.500A) removed outlier: 3.560A pdb=" N GLU N 118 " --> pdb=" O ARG N 114 " (cutoff:3.500A) Processing helix chain 'N' and resid 128 through 134 removed outlier: 3.905A pdb=" N SER N 134 " --> pdb=" O GLY N 130 " (cutoff:3.500A) Processing helix chain 'N' and resid 137 through 146 removed outlier: 4.190A pdb=" N SER N 143 " --> pdb=" O PRO N 139 " (cutoff:3.500A) removed outlier: 3.619A pdb=" N ARG N 144 " --> pdb=" O PHE N 140 " (cutoff:3.500A) removed outlier: 3.682A pdb=" N TYR N 145 " --> pdb=" O PHE N 141 " (cutoff:3.500A) removed outlier: 3.598A pdb=" N PHE N 146 " --> pdb=" O PHE N 142 " (cutoff:3.500A) Processing helix chain 'N' and resid 154 through 159 removed outlier: 3.904A pdb=" N VAL N 158 " --> pdb=" O VAL N 154 " (cutoff:3.500A) removed outlier: 3.791A pdb=" N LEU N 159 " --> pdb=" O LEU N 155 " (cutoff:3.500A) No H-bonds generated for 'chain 'N' and resid 154 through 159' Processing helix chain 'N' and resid 175 through 186 removed outlier: 3.576A pdb=" N TYR N 182 " --> pdb=" O GLU N 178 " (cutoff:3.500A) removed outlier: 3.846A pdb=" N ASN N 185 " --> pdb=" O ASN N 181 " (cutoff:3.500A) removed outlier: 3.657A pdb=" N ILE N 186 " --> pdb=" O TYR N 182 " (cutoff:3.500A) Processing helix chain 'O' and resid 33 through 39 removed outlier: 4.312A pdb=" N TYR O 37 " --> pdb=" O ARG O 33 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N LYS O 38 " --> pdb=" O SER O 34 " (cutoff:3.500A) removed outlier: 4.103A pdb=" N ARG O 39 " --> pdb=" O ARG O 35 " (cutoff:3.500A) No H-bonds generated for 'chain 'O' and resid 33 through 39' Processing helix chain 'O' and resid 52 through 57 removed outlier: 3.676A pdb=" N LEU O 56 " --> pdb=" O ASN O 52 " (cutoff:3.500A) Proline residue: O 57 - end of helix No H-bonds generated for 'chain 'O' and resid 52 through 57' Processing helix chain 'O' and resid 60 through 65 removed outlier: 4.404A pdb=" N LEU O 64 " --> pdb=" O LYS O 60 " (cutoff:3.500A) removed outlier: 4.670A pdb=" N LYS O 65 " --> pdb=" O PRO O 61 " (cutoff:3.500A) No H-bonds generated for 'chain 'O' and resid 60 through 65' Processing helix chain 'O' and resid 77 through 88 removed outlier: 4.418A pdb=" N LEU O 81 " --> pdb=" O ASP O 77 " (cutoff:3.500A) removed outlier: 5.305A pdb=" N GLU O 82 " --> pdb=" O ARG O 78 " (cutoff:3.500A) removed outlier: 5.571A pdb=" N LEU O 83 " --> pdb=" O GLU O 79 " (cutoff:3.500A) removed outlier: 3.799A pdb=" N SER O 86 " --> pdb=" O GLU O 82 " (cutoff:3.500A) removed outlier: 3.594A pdb=" N ILE O 87 " --> pdb=" O LEU O 83 " (cutoff:3.500A) Processing helix chain 'O' and resid 111 through 123 removed outlier: 3.853A pdb=" N GLY O 120 " --> pdb=" O ILE O 116 " (cutoff:3.500A) removed outlier: 3.551A pdb=" N ARG O 121 " --> pdb=" O GLN O 117 " (cutoff:3.500A) removed outlier: 3.760A pdb=" N TYR O 122 " --> pdb=" O ILE O 118 " (cutoff:3.500A) Proline residue: O 123 - end of helix Processing helix chain 'O' and resid 196 through 201 removed outlier: 4.169A pdb=" N VAL O 200 " --> pdb=" O SER O 196 " (cutoff:3.500A) removed outlier: 5.573A pdb=" N ARG O 201 " --> pdb=" O VAL O 197 " (cutoff:3.500A) No H-bonds generated for 'chain 'O' and resid 196 through 201' Processing helix chain 'O' and resid 258 through 264 removed outlier: 3.511A pdb=" N ALA O 262 " --> pdb=" O ALA O 258 " (cutoff:3.500A) removed outlier: 3.541A pdb=" N ASP O 263 " --> pdb=" O ILE O 259 " (cutoff:3.500A) Processing helix chain 'O' and resid 268 through 325 removed outlier: 3.811A pdb=" N GLU O 272 " --> pdb=" O ASP O 268 " (cutoff:3.500A) removed outlier: 3.538A pdb=" N MET O 273 " --> pdb=" O ARG O 269 " (cutoff:3.500A) Proline residue: O 274 - end of helix removed outlier: 3.925A pdb=" N VAL O 278 " --> pdb=" O PRO O 274 " (cutoff:3.500A) removed outlier: 3.995A pdb=" N ALA O 283 " --> pdb=" O ARG O 279 " (cutoff:3.500A) removed outlier: 3.680A pdb=" N VAL O 289 " --> pdb=" O GLU O 285 " (cutoff:3.500A) removed outlier: 4.188A pdb=" N GLN O 293 " --> pdb=" O VAL O 289 " (cutoff:3.500A) removed outlier: 5.386A pdb=" N LYS O 294 " --> pdb=" O ASP O 290 " (cutoff:3.500A) removed outlier: 4.246A pdb=" N SER O 295 " --> pdb=" O SER O 291 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N HIS O 299 " --> pdb=" O SER O 295 " (cutoff:3.500A) removed outlier: 5.243A pdb=" N ALA O 301 " --> pdb=" O GLU O 297 " (cutoff:3.500A) removed outlier: 3.914A pdb=" N LEU O 302 " --> pdb=" O TYR O 298 " (cutoff:3.500A) removed outlier: 3.516A pdb=" N ARG O 305 " --> pdb=" O ALA O 301 " (cutoff:3.500A) removed outlier: 3.869A pdb=" N ASP O 309 " --> pdb=" O ARG O 305 " (cutoff:3.500A) removed outlier: 3.832A pdb=" N GLN O 311 " --> pdb=" O ALA O 307 " (cutoff:3.500A) removed outlier: 3.523A pdb=" N THR O 312 " --> pdb=" O GLN O 308 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N ASP O 316 " --> pdb=" O THR O 312 " (cutoff:3.500A) removed outlier: 3.597A pdb=" N VAL O 317 " --> pdb=" O PHE O 313 " (cutoff:3.500A) removed outlier: 3.611A pdb=" N LEU O 318 " --> pdb=" O GLN O 314 " (cutoff:3.500A) removed outlier: 4.779A pdb=" N THR O 322 " --> pdb=" O LEU O 318 " (cutoff:3.500A) removed outlier: 4.531A pdb=" N GLU O 323 " --> pdb=" O VAL O 319 " (cutoff:3.500A) Processing helix chain 'Q' and resid 29 through 38 removed outlier: 5.479A pdb=" N ARG Q 33 " --> pdb=" O GLY Q 29 " (cutoff:3.500A) removed outlier: 3.907A pdb=" N MET Q 37 " --> pdb=" O ARG Q 33 " (cutoff:3.500A) Processing helix chain 'Q' and resid 40 through 46 removed outlier: 4.432A pdb=" N ALA Q 44 " --> pdb=" O PRO Q 40 " (cutoff:3.500A) removed outlier: 4.929A pdb=" N TRP Q 45 " --> pdb=" O PRO Q 41 " (cutoff:3.500A) removed outlier: 5.242A pdb=" N CYS Q 46 " --> pdb=" O TRP Q 42 " (cutoff:3.500A) No H-bonds generated for 'chain 'Q' and resid 40 through 46' Processing helix chain 'Q' and resid 50 through 59 removed outlier: 3.959A pdb=" N ASP Q 59 " --> pdb=" O TYR Q 55 " (cutoff:3.500A) Processing helix chain 'Q' and resid 123 through 134 removed outlier: 3.577A pdb=" N MET Q 127 " --> pdb=" O VAL Q 123 " (cutoff:3.500A) removed outlier: 4.442A pdb=" N PHE Q 128 " --> pdb=" O GLU Q 124 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N ILE Q 130 " --> pdb=" O ALA Q 126 " (cutoff:3.500A) removed outlier: 4.562A pdb=" N GLU Q 131 " --> pdb=" O MET Q 127 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N LYS Q 132 " --> pdb=" O PHE Q 128 " (cutoff:3.500A) Processing helix chain 'Q' and resid 135 through 144 removed outlier: 3.679A pdb=" N PHE Q 139 " --> pdb=" O GLY Q 135 " (cutoff:3.500A) removed outlier: 3.855A pdb=" N ILE Q 140 " --> pdb=" O PHE Q 136 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N ARG Q 143 " --> pdb=" O PHE Q 139 " (cutoff:3.500A) removed outlier: 4.880A pdb=" N SER Q 144 " --> pdb=" O ILE Q 140 " (cutoff:3.500A) Processing helix chain 'Q' and resid 150 through 185 removed outlier: 4.697A pdb=" N GLU Q 154 " --> pdb=" O SER Q 150 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N ARG Q 155 " --> pdb=" O THR Q 151 " (cutoff:3.500A) removed outlier: 4.074A pdb=" N ARG Q 157 " --> pdb=" O GLY Q 153 " (cutoff:3.500A) removed outlier: 4.101A pdb=" N HIS Q 159 " --> pdb=" O ARG Q 155 " (cutoff:3.500A) removed outlier: 3.879A pdb=" N VAL Q 162 " --> pdb=" O ARG Q 158 " (cutoff:3.500A) removed outlier: 3.597A pdb=" N LYS Q 169 " --> pdb=" O LYS Q 165 " (cutoff:3.500A) removed outlier: 3.923A pdb=" N VAL Q 172 " --> pdb=" O GLN Q 168 " (cutoff:3.500A) removed outlier: 3.638A pdb=" N LEU Q 180 " --> pdb=" O GLN Q 176 " (cutoff:3.500A) removed outlier: 3.559A pdb=" N GLU Q 182 " --> pdb=" O LYS Q 178 " (cutoff:3.500A) removed outlier: 3.722A pdb=" N VAL Q 183 " --> pdb=" O ALA Q 179 " (cutoff:3.500A) Processing helix chain 'Q' and resid 193 through 205 removed outlier: 4.564A pdb=" N ASP Q 198 " --> pdb=" O GLU Q 194 " (cutoff:3.500A) removed outlier: 4.713A pdb=" N ALA Q 199 " --> pdb=" O GLU Q 195 " (cutoff:3.500A) removed outlier: 3.973A pdb=" N TYR Q 204 " --> pdb=" O VAL Q 200 " (cutoff:3.500A) Processing helix chain 'Q' and resid 207 through 226 removed outlier: 3.502A pdb=" N PHE Q 211 " --> pdb=" O ASP Q 207 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N VAL Q 219 " --> pdb=" O MET Q 215 " (cutoff:3.500A) removed outlier: 3.832A pdb=" N MET Q 220 " --> pdb=" O ALA Q 216 " (cutoff:3.500A) removed outlier: 3.941A pdb=" N ARG Q 223 " --> pdb=" O VAL Q 219 " (cutoff:3.500A) removed outlier: 4.723A pdb=" N SER Q 225 " --> pdb=" O GLU Q 221 " (cutoff:3.500A) removed outlier: 4.564A pdb=" N VAL Q 226 " --> pdb=" O GLN Q 222 " (cutoff:3.500A) Processing helix chain 'Q' and resid 186 through 191 removed outlier: 4.007A pdb=" N LYS Q 190 " --> pdb=" O GLU Q 187 " (cutoff:3.500A) removed outlier: 4.473A pdb=" N ALA Q 191 " --> pdb=" O LEU Q 188 " (cutoff:3.500A) Processing helix chain 'R' and resid 9 through 18 removed outlier: 3.777A pdb=" N LEU R 13 " --> pdb=" O ASN R 9 " (cutoff:3.500A) removed outlier: 4.848A pdb=" N TYR R 14 " --> pdb=" O VAL R 10 " (cutoff:3.500A) removed outlier: 4.994A pdb=" N GLU R 15 " --> pdb=" O ALA R 11 " (cutoff:3.500A) removed outlier: 4.265A pdb=" N PHE R 16 " --> pdb=" O ALA R 12 " (cutoff:3.500A) removed outlier: 3.947A pdb=" N VAL R 17 " --> pdb=" O LEU R 13 " (cutoff:3.500A) removed outlier: 5.709A pdb=" N ASP R 18 " --> pdb=" O TYR R 14 " (cutoff:3.500A) No H-bonds generated for 'chain 'R' and resid 9 through 18' Processing helix chain 'R' and resid 19 through 24 Processing helix chain 'R' and resid 35 through 42 removed outlier: 4.356A pdb=" N ARG R 41 " --> pdb=" O GLU R 37 " (cutoff:3.500A) removed outlier: 4.283A pdb=" N LYS R 42 " --> pdb=" O SER R 38 " (cutoff:3.500A) Processing helix chain 'R' and resid 45 through 72 removed outlier: 3.775A pdb=" N GLN R 49 " --> pdb=" O ALA R 45 " (cutoff:3.500A) removed outlier: 3.625A pdb=" N ILE R 50 " --> pdb=" O ASP R 46 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N GLU R 57 " --> pdb=" O SER R 53 " (cutoff:3.500A) removed outlier: 3.740A pdb=" N MET R 60 " --> pdb=" O LYS R 56 " (cutoff:3.500A) removed outlier: 3.769A pdb=" N THR R 63 " --> pdb=" O ASN R 59 " (cutoff:3.500A) removed outlier: 3.979A pdb=" N ILE R 64 " --> pdb=" O MET R 60 " (cutoff:3.500A) removed outlier: 3.903A pdb=" N GLU R 66 " --> pdb=" O SER R 62 " (cutoff:3.500A) removed outlier: 4.637A pdb=" N HIS R 67 " --> pdb=" O THR R 63 " (cutoff:3.500A) removed outlier: 3.543A pdb=" N HIS R 71 " --> pdb=" O HIS R 67 " (cutoff:3.500A) removed outlier: 4.422A pdb=" N GLN R 72 " --> pdb=" O TYR R 68 " (cutoff:3.500A) Processing helix chain 'R' and resid 81 through 118 removed outlier: 4.472A pdb=" N LYS R 85 " --> pdb=" O PRO R 81 " (cutoff:3.500A) removed outlier: 4.724A pdb=" N GLU R 88 " --> pdb=" O LEU R 84 " (cutoff:3.500A) removed outlier: 3.690A pdb=" N MET R 91 " --> pdb=" O VAL R 87 " (cutoff:3.500A) removed outlier: 3.798A pdb=" N VAL R 94 " --> pdb=" O SER R 90 " (cutoff:3.500A) removed outlier: 3.919A pdb=" N ARG R 96 " --> pdb=" O GLU R 92 " (cutoff:3.500A) removed outlier: 4.162A pdb=" N VAL R 97 " --> pdb=" O ASN R 93 " (cutoff:3.500A) removed outlier: 3.784A pdb=" N ALA R 103 " --> pdb=" O LYS R 99 " (cutoff:3.500A) removed outlier: 3.891A pdb=" N THR R 106 " --> pdb=" O ASP R 102 " (cutoff:3.500A) removed outlier: 4.208A pdb=" N GLU R 108 " --> pdb=" O GLU R 104 " (cutoff:3.500A) removed outlier: 3.962A pdb=" N LYS R 114 " --> pdb=" O VAL R 110 " (cutoff:3.500A) removed outlier: 3.778A pdb=" N GLU R 115 " --> pdb=" O ARG R 111 " (cutoff:3.500A) removed outlier: 4.062A pdb=" N ALA R 118 " --> pdb=" O LYS R 114 " (cutoff:3.500A) Processing helix chain 'R' and resid 131 through 137 removed outlier: 4.430A pdb=" N HIS R 135 " --> pdb=" O PRO R 131 " (cutoff:3.500A) removed outlier: 4.619A pdb=" N ASP R 136 " --> pdb=" O PRO R 132 " (cutoff:3.500A) Proline residue: R 137 - end of helix No H-bonds generated for 'chain 'R' and resid 131 through 137' Processing helix chain 'R' and resid 150 through 158 removed outlier: 3.636A pdb=" N LEU R 154 " --> pdb=" O ASP R 150 " (cutoff:3.500A) removed outlier: 4.033A pdb=" N ARG R 155 " --> pdb=" O GLU R 151 " (cutoff:3.500A) Processing helix chain 'R' and resid 178 through 207 removed outlier: 3.773A pdb=" N THR R 183 " --> pdb=" O GLU R 179 " (cutoff:3.500A) removed outlier: 3.717A pdb=" N ARG R 186 " --> pdb=" O LEU R 182 " (cutoff:3.500A) removed outlier: 3.648A pdb=" N GLU R 189 " --> pdb=" O LYS R 185 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N GLN R 190 " --> pdb=" O ARG R 186 " (cutoff:3.500A) removed outlier: 3.632A pdb=" N TRP R 192 " --> pdb=" O ALA R 188 " (cutoff:3.500A) removed outlier: 3.525A pdb=" N VAL R 202 " --> pdb=" O GLU R 198 " (cutoff:3.500A) removed outlier: 4.288A pdb=" N LYS R 207 " --> pdb=" O GLU R 203 " (cutoff:3.500A) Processing helix chain 'R' and resid 220 through 225 removed outlier: 3.920A pdb=" N HIS R 224 " --> pdb=" O SER R 220 " (cutoff:3.500A) removed outlier: 3.979A pdb=" N THR R 225 " --> pdb=" O VAL R 221 " (cutoff:3.500A) No H-bonds generated for 'chain 'R' and resid 220 through 225' Processing helix chain 'R' and resid 241 through 247 removed outlier: 4.112A pdb=" N CYS R 247 " --> pdb=" O ILE R 243 " (cutoff:3.500A) Processing helix chain 'R' and resid 250 through 255 removed outlier: 4.504A pdb=" N GLY R 254 " --> pdb=" O ASP R 250 " (cutoff:3.500A) removed outlier: 3.984A pdb=" N ALA R 255 " --> pdb=" O SER R 251 " (cutoff:3.500A) No H-bonds generated for 'chain 'R' and resid 250 through 255' Processing helix chain 'R' and resid 260 through 265 Proline residue: R 265 - end of helix Processing helix chain 'R' and resid 278 through 289 removed outlier: 3.959A pdb=" N LYS R 284 " --> pdb=" O LEU R 280 " (cutoff:3.500A) removed outlier: 3.626A pdb=" N GLN R 286 " --> pdb=" O HIS R 282 " (cutoff:3.500A) removed outlier: 4.853A pdb=" N ARG R 288 " --> pdb=" O LYS R 284 " (cutoff:3.500A) removed outlier: 5.512A pdb=" N SER R 289 " --> pdb=" O TYR R 285 " (cutoff:3.500A) Processing helix chain 'R' and resid 322 through 327 removed outlier: 3.895A pdb=" N ILE R 326 " --> pdb=" O HIS R 322 " (cutoff:3.500A) removed outlier: 4.632A pdb=" N GLU R 327 " --> pdb=" O PRO R 323 " (cutoff:3.500A) No H-bonds generated for 'chain 'R' and resid 322 through 327' Processing helix chain 'R' and resid 341 through 349 removed outlier: 3.677A pdb=" N SER R 347 " --> pdb=" O ALA R 343 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N SER R 349 " --> pdb=" O VAL R 345 " (cutoff:3.500A) Processing helix chain 'R' and resid 371 through 376 removed outlier: 4.329A pdb=" N VAL R 375 " --> pdb=" O PRO R 371 " (cutoff:3.500A) Processing helix chain 'R' and resid 377 through 396 removed outlier: 3.684A pdb=" N GLU R 381 " --> pdb=" O PRO R 377 " (cutoff:3.500A) removed outlier: 4.044A pdb=" N ALA R 382 " --> pdb=" O VAL R 378 " (cutoff:3.500A) removed outlier: 3.610A pdb=" N VAL R 383 " --> pdb=" O TYR R 379 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N ARG R 384 " --> pdb=" O GLN R 380 " (cutoff:3.500A) removed outlier: 4.194A pdb=" N GLU R 386 " --> pdb=" O ALA R 382 " (cutoff:3.500A) removed outlier: 4.669A pdb=" N ALA R 388 " --> pdb=" O ARG R 384 " (cutoff:3.500A) removed outlier: 3.831A pdb=" N GLU R 391 " --> pdb=" O MET R 387 " (cutoff:3.500A) removed outlier: 3.928A pdb=" N LEU R 393 " --> pdb=" O GLN R 389 " (cutoff:3.500A) removed outlier: 3.901A pdb=" N MET R 394 " --> pdb=" O GLU R 390 " (cutoff:3.500A) removed outlier: 4.048A pdb=" N TRP R 396 " --> pdb=" O THR R 392 " (cutoff:3.500A) Processing helix chain 'R' and resid 403 through 411 removed outlier: 4.602A pdb=" N ASP R 407 " --> pdb=" O LYS R 403 " (cutoff:3.500A) removed outlier: 4.013A pdb=" N LEU R 408 " --> pdb=" O TYR R 404 " (cutoff:3.500A) removed outlier: 3.830A pdb=" N TYR R 409 " --> pdb=" O GLN R 405 " (cutoff:3.500A) removed outlier: 3.649A pdb=" N THR R 410 " --> pdb=" O TYR R 406 " (cutoff:3.500A) Processing helix chain 'R' and resid 413 through 422 removed outlier: 3.892A pdb=" N TYR R 420 " --> pdb=" O GLN R 416 " (cutoff:3.500A) removed outlier: 3.813A pdb=" N TYR R 422 " --> pdb=" O VAL R 418 " (cutoff:3.500A) Processing helix chain 'R' and resid 423 through 437 removed outlier: 4.022A pdb=" N ASP R 427 " --> pdb=" O SER R 423 " (cutoff:3.500A) removed outlier: 3.653A pdb=" N ASP R 430 " --> pdb=" O VAL R 426 " (cutoff:3.500A) removed outlier: 4.245A pdb=" N LEU R 434 " --> pdb=" O ASP R 430 " (cutoff:3.500A) Processing helix chain 'R' and resid 453 through 458 removed outlier: 4.380A pdb=" N VAL R 457 " --> pdb=" O GLY R 453 " (cutoff:3.500A) Proline residue: R 458 - end of helix No H-bonds generated for 'chain 'R' and resid 453 through 458' Processing helix chain 'S' and resid 265 through 270 removed outlier: 4.834A pdb=" N PHE S 269 " --> pdb=" O HIS S 265 " (cutoff:3.500A) removed outlier: 5.648A pdb=" N SER S 270 " --> pdb=" O PRO S 266 " (cutoff:3.500A) No H-bonds generated for 'chain 'S' and resid 265 through 270' Processing helix chain 'S' and resid 271 through 281 removed outlier: 3.715A pdb=" N MET S 276 " --> pdb=" O GLU S 272 " (cutoff:3.500A) removed outlier: 3.710A pdb=" N GLU S 279 " --> pdb=" O ARG S 275 " (cutoff:3.500A) removed outlier: 3.738A pdb=" N LEU S 280 " --> pdb=" O MET S 276 " (cutoff:3.500A) Processing helix chain 'S' and resid 294 through 305 removed outlier: 3.505A pdb=" N ARG S 298 " --> pdb=" O ILE S 294 " (cutoff:3.500A) removed outlier: 4.184A pdb=" N ARG S 300 " --> pdb=" O PRO S 296 " (cutoff:3.500A) removed outlier: 3.861A pdb=" N VAL S 304 " --> pdb=" O ARG S 300 " (cutoff:3.500A) Processing helix chain 'S' and resid 314 through 323 removed outlier: 4.335A pdb=" N LYS S 319 " --> pdb=" O LEU S 315 " (cutoff:3.500A) removed outlier: 4.655A pdb=" N GLY S 323 " --> pdb=" O LYS S 319 " (cutoff:3.500A) Processing helix chain 'S' and resid 329 through 337 removed outlier: 4.119A pdb=" N LEU S 333 " --> pdb=" O SER S 329 " (cutoff:3.500A) removed outlier: 4.317A pdb=" N GLN S 336 " --> pdb=" O ASP S 332 " (cutoff:3.500A) removed outlier: 4.870A pdb=" N ILE S 337 " --> pdb=" O LEU S 333 " (cutoff:3.500A) Processing helix chain 'S' and resid 349 through 389 removed outlier: 3.503A pdb=" N ARG S 353 " --> pdb=" O ASN S 349 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N MET S 359 " --> pdb=" O LYS S 355 " (cutoff:3.500A) removed outlier: 3.652A pdb=" N ARG S 363 " --> pdb=" O MET S 359 " (cutoff:3.500A) removed outlier: 3.763A pdb=" N MET S 364 " --> pdb=" O ARG S 360 " (cutoff:3.500A) removed outlier: 3.687A pdb=" N ARG S 365 " --> pdb=" O LEU S 361 " (cutoff:3.500A) removed outlier: 3.773A pdb=" N LEU S 375 " --> pdb=" O HIS S 371 " (cutoff:3.500A) removed outlier: 3.596A pdb=" N GLU S 376 " --> pdb=" O ARG S 372 " (cutoff:3.500A) removed outlier: 3.703A pdb=" N LEU S 379 " --> pdb=" O LEU S 375 " (cutoff:3.500A) removed outlier: 3.667A pdb=" N LEU S 380 " --> pdb=" O GLU S 376 " (cutoff:3.500A) removed outlier: 4.227A pdb=" N LEU S 387 " --> pdb=" O ARG S 383 " (cutoff:3.500A) removed outlier: 4.084A pdb=" N GLN S 388 " --> pdb=" O HIS S 384 " (cutoff:3.500A) Processing helix chain 'T' and resid 34 through 44 removed outlier: 3.689A pdb=" N ARG T 40 " --> pdb=" O MET T 36 " (cutoff:3.500A) removed outlier: 4.100A pdb=" N LYS T 41 " --> pdb=" O GLN T 37 " (cutoff:3.500A) removed outlier: 4.570A pdb=" N THR T 42 " --> pdb=" O LEU T 38 " (cutoff:3.500A) removed outlier: 3.785A pdb=" N TYR T 43 " --> pdb=" O ARG T 39 " (cutoff:3.500A) removed outlier: 4.611A pdb=" N GLY T 44 " --> pdb=" O ARG T 40 " (cutoff:3.500A) Processing helix chain 'T' and resid 45 through 51 removed outlier: 4.106A pdb=" N ARG T 50 " --> pdb=" O HIS T 46 " (cutoff:3.500A) Processing helix chain 'T' and resid 75 through 82 removed outlier: 3.518A pdb=" N ILE T 81 " --> pdb=" O ASP T 77 " (cutoff:3.500A) removed outlier: 5.113A pdb=" N LYS T 82 " --> pdb=" O CYS T 78 " (cutoff:3.500A) Processing helix chain 'V' and resid 14 through 20 removed outlier: 3.737A pdb=" N ARG V 19 " --> pdb=" O GLU V 15 " (cutoff:3.500A) removed outlier: 5.919A pdb=" N GLN V 20 " --> pdb=" O GLU V 16 " (cutoff:3.500A) Processing helix chain 'V' and resid 37 through 44 removed outlier: 3.628A pdb=" N MET V 42 " --> pdb=" O GLN V 38 " (cutoff:3.500A) removed outlier: 3.856A pdb=" N ARG V 43 " --> pdb=" O VAL V 39 " (cutoff:3.500A) Processing helix chain 'V' and resid 84 through 97 removed outlier: 3.691A pdb=" N ARG V 89 " --> pdb=" O PRO V 85 " (cutoff:3.500A) removed outlier: 3.836A pdb=" N ARG V 94 " --> pdb=" O LEU V 90 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N LEU V 95 " --> pdb=" O TYR V 91 " (cutoff:3.500A) removed outlier: 3.997A pdb=" N ILE V 97 " --> pdb=" O SER V 93 " (cutoff:3.500A) Processing helix chain 'V' and resid 113 through 123 removed outlier: 4.300A pdb=" N SER V 121 " --> pdb=" O ILE V 117 " (cutoff:3.500A) removed outlier: 4.064A pdb=" N LEU V 123 " --> pdb=" O GLN V 119 " (cutoff:3.500A) Processing helix chain 'V' and resid 135 through 140 removed outlier: 3.694A pdb=" N ALA V 139 " --> pdb=" O GLY V 135 " (cutoff:3.500A) Proline residue: V 140 - end of helix No H-bonds generated for 'chain 'V' and resid 135 through 140' Processing helix chain 'Z' and resid 50 through 55 removed outlier: 4.283A pdb=" N ASP Z 54 " --> pdb=" O PRO Z 50 " (cutoff:3.500A) Processing helix chain 'Z' and resid 82 through 95 Proline residue: Z 87 - end of helix removed outlier: 3.970A pdb=" N ASN Z 91 " --> pdb=" O PRO Z 87 " (cutoff:3.500A) removed outlier: 3.637A pdb=" N MET Z 92 " --> pdb=" O ARG Z 88 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N MET Z 93 " --> pdb=" O VAL Z 89 " (cutoff:3.500A) Processing helix chain 'Z' and resid 135 through 140 removed outlier: 4.656A pdb=" N ILE Z 139 " --> pdb=" O ASP Z 135 " (cutoff:3.500A) removed outlier: 5.523A pdb=" N ARG Z 140 " --> pdb=" O PRO Z 136 " (cutoff:3.500A) No H-bonds generated for 'chain 'Z' and resid 135 through 140' Processing helix chain 'BA' and resid 48 through 59 removed outlier: 3.991A pdb=" N METBA 52 " --> pdb=" O THRBA 48 " (cutoff:3.500A) removed outlier: 3.940A pdb=" N ALABA 55 " --> pdb=" O ASPBA 51 " (cutoff:3.500A) removed outlier: 3.531A pdb=" N LEUBA 56 " --> pdb=" O METBA 52 " (cutoff:3.500A) removed outlier: 4.181A pdb=" N LEUBA 57 " --> pdb=" O LYSBA 53 " (cutoff:3.500A) removed outlier: 3.874A pdb=" N SERBA 58 " --> pdb=" O LYSBA 54 " (cutoff:3.500A) removed outlier: 3.578A pdb=" N ILEBA 59 " --> pdb=" O ALABA 55 " (cutoff:3.500A) Processing helix chain 'BA' and resid 73 through 81 removed outlier: 3.536A pdb=" N ARGBA 80 " --> pdb=" O GLUBA 76 " (cutoff:3.500A) Proline residue: BA 81 - end of helix Processing helix chain 'BA' and resid 91 through 98 removed outlier: 3.668A pdb=" N ILEBA 95 " --> pdb=" O HISBA 91 " (cutoff:3.500A) removed outlier: 3.713A pdb=" N SERBA 97 " --> pdb=" O HISBA 93 " (cutoff:3.500A) Processing helix chain 'BA' and resid 100 through 105 removed outlier: 4.231A pdb=" N LEUBA 104 " --> pdb=" O ALABA 100 " (cutoff:3.500A) Proline residue: BA 105 - end of helix No H-bonds generated for 'chain 'BA' and resid 100 through 105' Processing helix chain 'BA' and resid 119 through 134 removed outlier: 3.916A pdb=" N ALABA 126 " --> pdb=" O ARGBA 122 " (cutoff:3.500A) removed outlier: 4.312A pdb=" N ALABA 129 " --> pdb=" O ASNBA 125 " (cutoff:3.500A) removed outlier: 3.562A pdb=" N LEUBA 130 " --> pdb=" O ALABA 126 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N TRPBA 133 " --> pdb=" O ALABA 129 " (cutoff:3.500A) Processing helix chain 'BA' and resid 142 through 150 removed outlier: 5.557A pdb=" N VALBA 146 " --> pdb=" O SERBA 142 " (cutoff:3.500A) removed outlier: 3.872A pdb=" N SERBA 147 " --> pdb=" O VALBA 143 " (cutoff:3.500A) removed outlier: 3.596A pdb=" N GLUBA 148 " --> pdb=" O ASPBA 144 " (cutoff:3.500A) removed outlier: 4.011A pdb=" N ALABA 149 " --> pdb=" O ALABA 145 " (cutoff:3.500A) removed outlier: 5.695A pdb=" N ILEBA 150 " --> pdb=" O VALBA 146 " (cutoff:3.500A) No H-bonds generated for 'chain 'BA' and resid 142 through 150' Processing helix chain 'CA' and resid 165 through 177 removed outlier: 3.872A pdb=" N ARGCA 172 " --> pdb=" O SERCA 168 " (cutoff:3.500A) removed outlier: 4.090A pdb=" N ARGCA 174 " --> pdb=" O CYSCA 170 " (cutoff:3.500A) Processing helix chain 'CA' and resid 207 through 215 removed outlier: 4.161A pdb=" N LEUCA 211 " --> pdb=" O THRCA 207 " (cutoff:3.500A) Proline residue: CA 212 - end of helix removed outlier: 4.208A pdb=" N SERCA 215 " --> pdb=" O LEUCA 211 " (cutoff:3.500A) No H-bonds generated for 'chain 'CA' and resid 207 through 215' Processing helix chain 'CA' and resid 232 through 241 removed outlier: 3.993A pdb=" N LEUCA 236 " --> pdb=" O ALACA 232 " (cutoff:3.500A) Proline residue: CA 237 - end of helix removed outlier: 4.507A pdb=" N SERCA 240 " --> pdb=" O LEUCA 236 " (cutoff:3.500A) removed outlier: 4.223A pdb=" N VALCA 241 " --> pdb=" O PROCA 237 " (cutoff:3.500A) No H-bonds generated for 'chain 'CA' and resid 232 through 241' Processing helix chain 'CA' and resid 258 through 272 removed outlier: 3.543A pdb=" N VALCA 262 " --> pdb=" O ASPCA 258 " (cutoff:3.500A) removed outlier: 3.603A pdb=" N ALACA 263 " --> pdb=" O GLUCA 259 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N HISCA 268 " --> pdb=" O GLNCA 264 " (cutoff:3.500A) Processing helix chain 'CA' and resid 279 through 284 removed outlier: 4.535A pdb=" N PHECA 283 " --> pdb=" O GLYCA 279 " (cutoff:3.500A) Processing helix chain 'CA' and resid 289 through 300 removed outlier: 3.910A pdb=" N METCA 293 " --> pdb=" O THRCA 289 " (cutoff:3.500A) removed outlier: 3.752A pdb=" N PHECA 296 " --> pdb=" O ASPCA 292 " (cutoff:3.500A) removed outlier: 4.071A pdb=" N PHECA 298 " --> pdb=" O ALACA 294 " (cutoff:3.500A) removed outlier: 4.441A pdb=" N ARGCA 300 " --> pdb=" O PHECA 296 " (cutoff:3.500A) Processing helix chain 'CA' and resid 301 through 317 removed outlier: 3.670A pdb=" N SERCA 305 " --> pdb=" O GLUCA 301 " (cutoff:3.500A) removed outlier: 3.736A pdb=" N GLYCA 307 " --> pdb=" O HISCA 303 " (cutoff:3.500A) removed outlier: 3.603A pdb=" N ALACA 308 " --> pdb=" O ARGCA 304 " (cutoff:3.500A) removed outlier: 3.592A pdb=" N THRCA 312 " --> pdb=" O ALACA 308 " (cutoff:3.500A) Processing helix chain 'CA' and resid 318 through 330 removed outlier: 4.189A pdb=" N GLNCA 322 " --> pdb=" O PROCA 318 " (cutoff:3.500A) Proline residue: CA 323 - end of helix removed outlier: 3.561A pdb=" N ASNCA 329 " --> pdb=" O LEUCA 325 " (cutoff:3.500A) Processing helix chain 'CA' and resid 334 through 350 removed outlier: 3.794A pdb=" N ALACA 338 " --> pdb=" O THRCA 334 " (cutoff:3.500A) removed outlier: 6.511A pdb=" N VALCA 339 " --> pdb=" O VALCA 335 " (cutoff:3.500A) removed outlier: 3.821A pdb=" N VALCA 345 " --> pdb=" O GLUCA 341 " (cutoff:3.500A) removed outlier: 4.102A pdb=" N LYSCA 350 " --> pdb=" O CYSCA 346 " (cutoff:3.500A) Processing helix chain 'CA' and resid 352 through 371 removed outlier: 4.212A pdb=" N GLUCA 357 " --> pdb=" O ARGCA 353 " (cutoff:3.500A) removed outlier: 6.358A pdb=" N LEUCA 358 " --> pdb=" O GLUCA 354 " (cutoff:3.500A) removed outlier: 7.658A pdb=" N LEUCA 359 " --> pdb=" O THRCA 355 " (cutoff:3.500A) removed outlier: 5.401A pdb=" N ARGCA 360 " --> pdb=" O ARGCA 356 " (cutoff:3.500A) removed outlier: 3.784A pdb=" N GLNCA 369 " --> pdb=" O TYRCA 365 " (cutoff:3.500A) removed outlier: 4.599A pdb=" N CYSCA 370 " --> pdb=" O HISCA 366 " (cutoff:3.500A) removed outlier: 4.816A pdb=" N HISCA 371 " --> pdb=" O LEUCA 367 " (cutoff:3.500A) Processing helix chain 'CA' and resid 379 through 387 removed outlier: 3.577A pdb=" N ALACA 386 " --> pdb=" O ASPCA 382 " (cutoff:3.500A) removed outlier: 4.352A pdb=" N CYSCA 387 " --> pdb=" O VALCA 383 " (cutoff:3.500A) Processing helix chain 'CA' and resid 389 through 394 removed outlier: 6.486A pdb=" N ALACA 393 " --> pdb=" O ILECA 389 " (cutoff:3.500A) removed outlier: 4.405A pdb=" N GLUCA 394 " --> pdb=" O METCA 390 " (cutoff:3.500A) No H-bonds generated for 'chain 'CA' and resid 389 through 394' Processing helix chain 'CA' and resid 396 through 413 removed outlier: 3.799A pdb=" N VALCA 401 " --> pdb=" O ALACA 397 " (cutoff:3.500A) removed outlier: 4.553A pdb=" N TRPCA 402 " --> pdb=" O ALACA 398 " (cutoff:3.500A) removed outlier: 4.802A pdb=" N PHECA 413 " --> pdb=" O ARGCA 409 " (cutoff:3.500A) Processing helix chain 'CA' and resid 439 through 447 removed outlier: 4.923A pdb=" N TYRCA 446 " --> pdb=" O ASPCA 442 " (cutoff:3.500A) Processing helix chain 'CA' and resid 460 through 466 removed outlier: 4.728A pdb=" N GLUCA 464 " --> pdb=" O THRCA 460 " (cutoff:3.500A) Processing helix chain 'CA' and resid 471 through 484 removed outlier: 4.302A pdb=" N GLNCA 479 " --> pdb=" O ALACA 475 " (cutoff:3.500A) removed outlier: 4.751A pdb=" N PHECA 480 " --> pdb=" O PHECA 476 " (cutoff:3.500A) removed outlier: 4.266A pdb=" N LYSCA 483 " --> pdb=" O GLNCA 479 " (cutoff:3.500A) removed outlier: 3.698A pdb=" N HISCA 484 " --> pdb=" O PHECA 480 " (cutoff:3.500A) Processing helix chain 'CA' and resid 497 through 502 removed outlier: 4.624A pdb=" N ALACA 502 " --> pdb=" O PROCA 498 " (cutoff:3.500A) Processing helix chain 'CA' and resid 533 through 541 removed outlier: 3.589A pdb=" N LEUCA 537 " --> pdb=" O SERCA 533 " (cutoff:3.500A) removed outlier: 4.133A pdb=" N LEUCA 538 " --> pdb=" O ASPCA 534 " (cutoff:3.500A) removed outlier: 3.790A pdb=" N HISCA 541 " --> pdb=" O LEUCA 537 " (cutoff:3.500A) Processing helix chain 'CA' and resid 564 through 578 removed outlier: 4.320A pdb=" N ARGCA 568 " --> pdb=" O SERCA 564 " (cutoff:3.500A) removed outlier: 4.580A pdb=" N ARGCA 577 " --> pdb=" O CYSCA 573 " (cutoff:3.500A) Processing helix chain 'CA' and resid 595 through 601 Processing helix chain 'UA' and resid 1 through 6 Processing helix chain 'UA' and resid 10 through 19 removed outlier: 3.773A pdb=" N ALAUA 14 " --> pdb=" O ALAUA 10 " (cutoff:3.500A) removed outlier: 4.044A pdb=" N ALAUA 18 " --> pdb=" O ALAUA 14 " (cutoff:3.500A) removed outlier: 6.088A pdb=" N ALAUA 19 " --> pdb=" O ALAUA 15 " (cutoff:3.500A) Processing helix chain 'UA' and resid 26 through 34 removed outlier: 3.894A pdb=" N ALAUA 33 " --> pdb=" O ALAUA 29 " (cutoff:3.500A) removed outlier: 5.507A pdb=" N ALAUA 34 " --> pdb=" O ALAUA 30 " (cutoff:3.500A) Processing helix chain 'UA' and resid 48 through 63 removed outlier: 4.244A pdb=" N ALAUA 55 " --> pdb=" O ALAUA 51 " (cutoff:3.500A) removed outlier: 4.456A pdb=" N ALAUA 57 " --> pdb=" O ALAUA 53 " (cutoff:3.500A) removed outlier: 5.369A pdb=" N ALAUA 58 " --> pdb=" O ALAUA 54 " (cutoff:3.500A) removed outlier: 3.672A pdb=" N ALAUA 59 " --> pdb=" O ALAUA 55 " (cutoff:3.500A) removed outlier: 4.315A pdb=" N ALAUA 60 " --> pdb=" O ALAUA 56 " (cutoff:3.500A) removed outlier: 3.799A pdb=" N ALAUA 61 " --> pdb=" O ALAUA 57 " (cutoff:3.500A) Processing helix chain 'UA' and resid 66 through 79 removed outlier: 4.451A pdb=" N ALAUA 70 " --> pdb=" O ALAUA 66 " (cutoff:3.500A) removed outlier: 4.839A pdb=" N ALAUA 71 " --> pdb=" O ALAUA 67 " (cutoff:3.500A) removed outlier: 5.799A pdb=" N ALAUA 72 " --> pdb=" O ALAUA 68 " (cutoff:3.500A) removed outlier: 4.244A pdb=" N ALAUA 73 " --> pdb=" O ALAUA 69 " (cutoff:3.500A) removed outlier: 3.520A pdb=" N ALAUA 74 " --> pdb=" O ALAUA 70 " (cutoff:3.500A) removed outlier: 4.994A pdb=" N ALAUA 79 " --> pdb=" O ALAUA 75 " (cutoff:3.500A) Processing helix chain 'UA' and resid 88 through 102 removed outlier: 4.280A pdb=" N ALAUA 92 " --> pdb=" O ALAUA 88 " (cutoff:3.500A) removed outlier: 4.151A pdb=" N ALAUA 95 " --> pdb=" O ALAUA 91 " (cutoff:3.500A) removed outlier: 4.200A pdb=" N ALAUA 96 " --> pdb=" O ALAUA 92 " (cutoff:3.500A) removed outlier: 4.704A pdb=" N ALAUA 101 " --> pdb=" O ALAUA 97 " (cutoff:3.500A) removed outlier: 4.513A pdb=" N ALAUA 102 " --> pdb=" O ALAUA 98 " (cutoff:3.500A) Processing helix chain 'UA' and resid 120 through 183 removed outlier: 3.859A pdb=" N ALAUA 127 " --> pdb=" O ALAUA 123 " (cutoff:3.500A) removed outlier: 4.714A pdb=" N ALAUA 130 " --> pdb=" O ALAUA 126 " (cutoff:3.500A) removed outlier: 3.532A pdb=" N ALAUA 131 " --> pdb=" O ALAUA 127 " (cutoff:3.500A) removed outlier: 3.772A pdb=" N ALAUA 132 " --> pdb=" O ALAUA 128 " (cutoff:3.500A) removed outlier: 4.616A pdb=" N ALAUA 133 " --> pdb=" O ALAUA 129 " (cutoff:3.500A) removed outlier: 5.236A pdb=" N ALAUA 134 " --> pdb=" O ALAUA 130 " (cutoff:3.500A) removed outlier: 4.445A pdb=" N ALAUA 137 " --> pdb=" O ALAUA 133 " (cutoff:3.500A) removed outlier: 3.746A pdb=" N ALAUA 138 " --> pdb=" O ALAUA 134 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N ALAUA 139 " --> pdb=" O ALAUA 135 " (cutoff:3.500A) removed outlier: 3.976A pdb=" N ALAUA 140 " --> pdb=" O ALAUA 136 " (cutoff:3.500A) removed outlier: 3.610A pdb=" N ALAUA 141 " --> pdb=" O ALAUA 137 " (cutoff:3.500A) removed outlier: 3.808A pdb=" N ALAUA 142 " --> pdb=" O ALAUA 138 " (cutoff:3.500A) removed outlier: 3.768A pdb=" N ALAUA 143 " --> pdb=" O ALAUA 139 " (cutoff:3.500A) removed outlier: 3.690A pdb=" N ALAUA 145 " --> pdb=" O ALAUA 141 " (cutoff:3.500A) removed outlier: 3.598A pdb=" N ALAUA 148 " --> pdb=" O ALAUA 144 " (cutoff:3.500A) removed outlier: 4.195A pdb=" N ALAUA 150 " --> pdb=" O ALAUA 146 " (cutoff:3.500A) removed outlier: 4.698A pdb=" N ALAUA 151 " --> pdb=" O ALAUA 147 " (cutoff:3.500A) removed outlier: 3.618A pdb=" N ALAUA 153 " --> pdb=" O ALAUA 149 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N ALAUA 156 " --> pdb=" O ALAUA 152 " (cutoff:3.500A) removed outlier: 4.217A pdb=" N ALAUA 158 " --> pdb=" O ALAUA 154 " (cutoff:3.500A) removed outlier: 4.406A pdb=" N ALAUA 159 " --> pdb=" O ALAUA 155 " (cutoff:3.500A) removed outlier: 3.956A pdb=" N ALAUA 161 " --> pdb=" O ALAUA 157 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N ALAUA 164 " --> pdb=" O ALAUA 160 " (cutoff:3.500A) removed outlier: 3.623A pdb=" N ALAUA 165 " --> pdb=" O ALAUA 161 " (cutoff:3.500A) removed outlier: 3.793A pdb=" N ALAUA 167 " --> pdb=" O ALAUA 163 " (cutoff:3.500A) removed outlier: 4.224A pdb=" N ALAUA 168 " --> pdb=" O ALAUA 164 " (cutoff:3.500A) removed outlier: 3.855A pdb=" N ALAUA 169 " --> pdb=" O ALAUA 165 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N ALAUA 170 " --> pdb=" O ALAUA 166 " (cutoff:3.500A) removed outlier: 4.044A pdb=" N ALAUA 171 " --> pdb=" O ALAUA 167 " (cutoff:3.500A) removed outlier: 4.196A pdb=" N ALAUA 173 " --> pdb=" O ALAUA 169 " (cutoff:3.500A) removed outlier: 3.653A pdb=" N ALAUA 176 " --> pdb=" O ALAUA 172 " (cutoff:3.500A) removed outlier: 3.652A pdb=" N ALAUA 179 " --> pdb=" O ALAUA 175 " (cutoff:3.500A) removed outlier: 5.396A pdb=" N ALAUA 181 " --> pdb=" O ALAUA 177 " (cutoff:3.500A) removed outlier: 3.803A pdb=" N ALAUA 182 " --> pdb=" O ALAUA 178 " (cutoff:3.500A) Processing helix chain 'UA' and resid 184 through 203 removed outlier: 5.286A pdb=" N ALAUA 188 " --> pdb=" O ALAUA 184 " (cutoff:3.500A) removed outlier: 4.221A pdb=" N ALAUA 189 " --> pdb=" O ALAUA 185 " (cutoff:3.500A) removed outlier: 4.069A pdb=" N ALAUA 195 " --> pdb=" O ALAUA 191 " (cutoff:3.500A) removed outlier: 4.291A pdb=" N ALAUA 198 " --> pdb=" O ALAUA 194 " (cutoff:3.500A) removed outlier: 4.330A pdb=" N ALAUA 200 " --> pdb=" O ALAUA 196 " (cutoff:3.500A) removed outlier: 5.781A pdb=" N ALAUA 201 " --> pdb=" O ALAUA 197 " (cutoff:3.500A) removed outlier: 3.753A pdb=" N ALAUA 202 " --> pdb=" O ALAUA 198 " (cutoff:3.500A) removed outlier: 4.825A pdb=" N ALAUA 203 " --> pdb=" O ALAUA 199 " (cutoff:3.500A) Processing helix chain 'BB' and resid 11 through 46 removed outlier: 4.292A pdb=" N HISBB 17 " --> pdb=" O LYSBB 13 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N VALBB 19 " --> pdb=" O HISBB 15 " (cutoff:3.500A) removed outlier: 3.540A pdb=" N LEUBB 21 " --> pdb=" O HISBB 17 " (cutoff:3.500A) Proline residue: BB 22 - end of helix removed outlier: 3.608A pdb=" N TYRBB 30 " --> pdb=" O ALABB 26 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N LEUBB 38 " --> pdb=" O GLUBB 34 " (cutoff:3.500A) removed outlier: 4.009A pdb=" N VALBB 46 " --> pdb=" O LYSBB 42 " (cutoff:3.500A) Processing helix chain 'BB' and resid 50 through 55 removed outlier: 5.129A pdb=" N VALBB 54 " --> pdb=" O ALABB 50 " (cutoff:3.500A) removed outlier: 5.017A pdb=" N GLNBB 55 " --> pdb=" O ALABB 51 " (cutoff:3.500A) No H-bonds generated for 'chain 'BB' and resid 50 through 55' Processing helix chain 'BB' and resid 83 through 93 removed outlier: 3.591A pdb=" N ARGBB 88 " --> pdb=" O PROBB 84 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N ARGBB 91 " --> pdb=" O THRBB 87 " (cutoff:3.500A) removed outlier: 3.766A pdb=" N ASNBB 92 " --> pdb=" O ARGBB 88 " (cutoff:3.500A) Processing helix chain 'BB' and resid 99 through 105 removed outlier: 3.824A pdb=" N TRPBB 103 " --> pdb=" O LYSBB 99 " (cutoff:3.500A) removed outlier: 3.912A pdb=" N GLUBB 105 " --> pdb=" O ASNBB 101 " (cutoff:3.500A) Processing helix chain 'CB' and resid 51 through 64 removed outlier: 3.673A pdb=" N ALACB 57 " --> pdb=" O VALCB 53 " (cutoff:3.500A) removed outlier: 4.800A pdb=" N SERCB 62 " --> pdb=" O ASNCB 58 " (cutoff:3.500A) removed outlier: 3.818A pdb=" N LEUCB 63 " --> pdb=" O ILECB 59 " (cutoff:3.500A) removed outlier: 3.808A pdb=" N LYSCB 64 " --> pdb=" O LEUCB 60 " (cutoff:3.500A) Processing helix chain 'CB' and resid 90 through 108 removed outlier: 3.861A pdb=" N ALACB 97 " --> pdb=" O HISCB 93 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N ASPCB 103 " --> pdb=" O TRPCB 99 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N ALACB 104 " --> pdb=" O ALACB 100 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N HISCB 108 " --> pdb=" O ALACB 104 " (cutoff:3.500A) Processing helix chain 'CB' and resid 138 through 143 removed outlier: 6.183A pdb=" N GLUCB 142 " --> pdb=" O SERCB 138 " (cutoff:3.500A) removed outlier: 4.136A pdb=" N METCB 143 " --> pdb=" O PHECB 139 " (cutoff:3.500A) No H-bonds generated for 'chain 'CB' and resid 138 through 143' Processing helix chain 'CB' and resid 146 through 151 removed outlier: 5.349A pdb=" N ALACB 150 " --> pdb=" O GLUCB 146 " (cutoff:3.500A) removed outlier: 4.301A pdb=" N VALCB 151 " --> pdb=" O ARGCB 147 " (cutoff:3.500A) No H-bonds generated for 'chain 'CB' and resid 146 through 151' Processing helix chain 'CB' and resid 168 through 175 removed outlier: 4.487A pdb=" N HISCB 174 " --> pdb=" O GLNCB 170 " (cutoff:3.500A) removed outlier: 3.742A pdb=" N GLYCB 175 " --> pdb=" O VALCB 171 " (cutoff:3.500A) Processing helix chain 'BK' and resid 176 through 188 removed outlier: 3.537A pdb=" N GLNBK 183 " --> pdb=" O ASPBK 179 " (cutoff:3.500A) Proline residue: BK 188 - end of helix Processing helix chain 'BK' and resid 189 through 205 removed outlier: 3.928A pdb=" N ALABK 195 " --> pdb=" O GLUBK 191 " (cutoff:3.500A) removed outlier: 3.722A pdb=" N VALBK 197 " --> pdb=" O ARGBK 193 " (cutoff:3.500A) removed outlier: 3.922A pdb=" N ASPBK 199 " --> pdb=" O ALABK 195 " (cutoff:3.500A) removed outlier: 4.164A pdb=" N THRBK 203 " --> pdb=" O ASPBK 199 " (cutoff:3.500A) removed outlier: 5.484A pdb=" N GLNBK 205 " --> pdb=" O ALABK 201 " (cutoff:3.500A) Processing helix chain 'BK' and resid 208 through 224 removed outlier: 4.333A pdb=" N SERBK 221 " --> pdb=" O TYRBK 217 " (cutoff:3.500A) removed outlier: 4.516A pdb=" N LEUBK 222 " --> pdb=" O GLUBK 218 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N PHEBK 223 " --> pdb=" O LEUBK 219 " (cutoff:3.500A) removed outlier: 4.586A pdb=" N GLUBK 224 " --> pdb=" O SERBK 220 " (cutoff:3.500A) Processing helix chain 'BK' and resid 248 through 266 removed outlier: 3.996A pdb=" N VALBK 263 " --> pdb=" O ASPBK 259 " (cutoff:3.500A) removed outlier: 4.130A pdb=" N VALBK 266 " --> pdb=" O THRBK 262 " (cutoff:3.500A) Processing helix chain 'BK' and resid 271 through 277 removed outlier: 4.030A pdb=" N GLUBK 275 " --> pdb=" O HISBK 271 " (cutoff:3.500A) removed outlier: 4.472A pdb=" N SERBK 276 " --> pdb=" O ARGBK 272 " (cutoff:3.500A) Proline residue: BK 277 - end of helix No H-bonds generated for 'chain 'BK' and resid 271 through 277' Processing helix chain 'BK' and resid 278 through 291 removed outlier: 4.451A pdb=" N HISBK 285 " --> pdb=" O ALABK 281 " (cutoff:3.500A) removed outlier: 4.808A pdb=" N LYSBK 291 " --> pdb=" O LEUBK 287 " (cutoff:3.500A) Processing helix chain 'BK' and resid 294 through 301 removed outlier: 4.569A pdb=" N TRPBK 298 " --> pdb=" O GLUBK 294 " (cutoff:3.500A) removed outlier: 4.027A pdb=" N TYRBK 299 " --> pdb=" O PROBK 295 " (cutoff:3.500A) removed outlier: 5.369A pdb=" N LEUBK 301 " --> pdb=" O LYSBK 297 " (cutoff:3.500A) Processing helix chain 'BK' and resid 328 through 341 removed outlier: 3.808A pdb=" N ASPBK 333 " --> pdb=" O ARGBK 329 " (cutoff:3.500A) removed outlier: 4.030A pdb=" N GLUBK 336 " --> pdb=" O LEUBK 332 " (cutoff:3.500A) removed outlier: 3.696A pdb=" N ASPBK 337 " --> pdb=" O ASPBK 333 " (cutoff:3.500A) removed outlier: 3.517A pdb=" N VALBK 339 " --> pdb=" O LEUBK 335 " (cutoff:3.500A) removed outlier: 3.957A pdb=" N SERBK 341 " --> pdb=" O ASPBK 337 " (cutoff:3.500A) Processing helix chain 'BK' and resid 376 through 392 removed outlier: 3.583A pdb=" N ASPBK 382 " --> pdb=" O ASPBK 378 " (cutoff:3.500A) removed outlier: 3.903A pdb=" N SERBK 388 " --> pdb=" O METBK 384 " (cutoff:3.500A) removed outlier: 3.947A pdb=" N METBK 391 " --> pdb=" O PHEBK 387 " (cutoff:3.500A) Proline residue: BK 392 - end of helix Processing helix chain 'BK' and resid 397 through 416 removed outlier: 3.850A pdb=" N LEUBK 401 " --> pdb=" O SERBK 397 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N LEUBK 404 " --> pdb=" O VALBK 400 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N GLUBK 407 " --> pdb=" O ALABK 403 " (cutoff:3.500A) removed outlier: 4.039A pdb=" N METBK 410 " --> pdb=" O ASPBK 406 " (cutoff:3.500A) removed outlier: 3.805A pdb=" N LYSBK 414 " --> pdb=" O METBK 410 " (cutoff:3.500A) removed outlier: 4.691A pdb=" N VALBK 415 " --> pdb=" O ARGBK 411 " (cutoff:3.500A) Processing helix chain 'BK' and resid 421 through 439 removed outlier: 3.725A pdb=" N LEUBK 428 " --> pdb=" O GLNBK 424 " (cutoff:3.500A) removed outlier: 4.016A pdb=" N GLUBK 429 " --> pdb=" O ALABK 425 " (cutoff:3.500A) removed outlier: 4.236A pdb=" N LEUBK 435 " --> pdb=" O LEUBK 431 " (cutoff:3.500A) removed outlier: 3.829A pdb=" N GLNBK 436 " --> pdb=" O TYRBK 432 " (cutoff:3.500A) removed outlier: 6.031A pdb=" N METBK 438 " --> pdb=" O LEUBK 434 " (cutoff:3.500A) removed outlier: 4.320A pdb=" N ASPBK 439 " --> pdb=" O LEUBK 435 " (cutoff:3.500A) Processing helix chain 'BK' and resid 442 through 451 removed outlier: 3.862A pdb=" N LEUBK 446 " --> pdb=" O ARGBK 442 " (cutoff:3.500A) removed outlier: 4.486A pdb=" N GLYBK 451 " --> pdb=" O ASPBK 447 " (cutoff:3.500A) Processing helix chain 'BK' and resid 452 through 461 removed outlier: 3.972A pdb=" N ALABK 456 " --> pdb=" O GLYBK 452 " (cutoff:3.500A) removed outlier: 3.845A pdb=" N HISBK 457 " --> pdb=" O GLNBK 453 " (cutoff:3.500A) removed outlier: 6.854A pdb=" N SERBK 458 " --> pdb=" O LEUBK 454 " (cutoff:3.500A) removed outlier: 4.903A pdb=" N THRBK 459 " --> pdb=" O ARGBK 455 " (cutoff:3.500A) removed outlier: 7.832A pdb=" N ALABK 460 " --> pdb=" O ALABK 456 " (cutoff:3.500A) Proline residue: BK 461 - end of helix No H-bonds generated for 'chain 'BK' and resid 452 through 461' Processing helix chain 'BK' and resid 490 through 501 removed outlier: 3.757A pdb=" N PHEBK 494 " --> pdb=" O GLYBK 490 " (cutoff:3.500A) removed outlier: 4.810A pdb=" N ARGBK 499 " --> pdb=" O SERBK 495 " (cutoff:3.500A) removed outlier: 4.356A pdb=" N ASPBK 500 " --> pdb=" O ALABK 496 " (cutoff:3.500A) removed outlier: 5.559A pdb=" N LYSBK 501 " --> pdb=" O VALBK 497 " (cutoff:3.500A) Processing helix chain 'BK' and resid 502 through 524 removed outlier: 3.654A pdb=" N LYSBK 506 " --> pdb=" O ARGBK 502 " (cutoff:3.500A) removed outlier: 3.667A pdb=" N ALABK 507 " --> pdb=" O ALABK 503 " (cutoff:3.500A) removed outlier: 3.883A pdb=" N ARGBK 511 " --> pdb=" O ALABK 507 " (cutoff:3.500A) removed outlier: 4.072A pdb=" N LEUBK 512 " --> pdb=" O ALABK 508 " (cutoff:3.500A) removed outlier: 3.565A pdb=" N ARGBK 521 " --> pdb=" O LEUBK 517 " (cutoff:3.500A) Processing helix chain 'BK' and resid 525 through 544 removed outlier: 3.583A pdb=" N HISBK 529 " --> pdb=" O ASPBK 525 " (cutoff:3.500A) removed outlier: 3.992A pdb=" N VALBK 533 " --> pdb=" O HISBK 529 " (cutoff:3.500A) removed outlier: 4.262A pdb=" N GLUBK 538 " --> pdb=" O GLUBK 534 " (cutoff:3.500A) removed outlier: 4.219A pdb=" N LEUBK 539 " --> pdb=" O SERBK 535 " (cutoff:3.500A) removed outlier: 4.239A pdb=" N SERBK 542 " --> pdb=" O GLUBK 538 " (cutoff:3.500A) removed outlier: 3.766A pdb=" N LEUBK 543 " --> pdb=" O LEUBK 539 " (cutoff:3.500A) removed outlier: 5.896A pdb=" N THRBK 544 " --> pdb=" O LEUBK 540 " (cutoff:3.500A) Processing helix chain 'BK' and resid 545 through 557 removed outlier: 3.539A pdb=" N ALABK 553 " --> pdb=" O ALABK 549 " (cutoff:3.500A) removed outlier: 3.724A pdb=" N GLNBK 554 " --> pdb=" O LEUBK 550 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N GLUBK 556 " --> pdb=" O PHEBK 552 " (cutoff:3.500A) removed outlier: 3.793A pdb=" N GLNBK 557 " --> pdb=" O ALABK 553 " (cutoff:3.500A) Processing helix chain 'BK' and resid 558 through 567 removed outlier: 4.523A pdb=" N LEUBK 563 " --> pdb=" O ASPBK 559 " (cutoff:3.500A) removed outlier: 4.027A pdb=" N ALABK 565 " --> pdb=" O ILEBK 561 " (cutoff:3.500A) removed outlier: 4.112A pdb=" N VALBK 566 " --> pdb=" O THRBK 562 " (cutoff:3.500A) Proline residue: BK 567 - end of helix Processing helix chain 'BK' and resid 569 through 578 removed outlier: 3.574A pdb=" N ARGBK 575 " --> pdb=" O ASPBK 571 " (cutoff:3.500A) Processing helix chain 'BK' and resid 599 through 605 removed outlier: 5.671A pdb=" N ALABK 603 " --> pdb=" O ALABK 599 " (cutoff:3.500A) removed outlier: 4.268A pdb=" N HISBK 604 " --> pdb=" O ALABK 600 " (cutoff:3.500A) removed outlier: 4.615A pdb=" N LEUBK 605 " --> pdb=" O VALBK 601 " (cutoff:3.500A) No H-bonds generated for 'chain 'BK' and resid 599 through 605' Processing helix chain 'BK' and resid 626 through 631 Processing helix chain 'BK' and resid 632 through 638 removed outlier: 5.473A pdb=" N GLUBK 638 " --> pdb=" O VALBK 634 " (cutoff:3.500A) Processing helix chain 'BK' and resid 644 through 650 removed outlier: 3.839A pdb=" N VALBK 648 " --> pdb=" O HISBK 644 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N SERBK 649 " --> pdb=" O SERBK 645 " (cutoff:3.500A) removed outlier: 4.797A pdb=" N LYSBK 650 " --> pdb=" O SERBK 646 " (cutoff:3.500A) No H-bonds generated for 'chain 'BK' and resid 644 through 650' Processing helix chain 'BK' and resid 652 through 665 removed outlier: 4.202A pdb=" N ALABK 657 " --> pdb=" O ASPBK 653 " (cutoff:3.500A) removed outlier: 3.695A pdb=" N VALBK 658 " --> pdb=" O ALABK 654 " (cutoff:3.500A) removed outlier: 4.622A pdb=" N ARGBK 663 " --> pdb=" O ALABK 659 " (cutoff:3.500A) removed outlier: 4.698A pdb=" N SERBK 664 " --> pdb=" O ARGBK 660 " (cutoff:3.500A) removed outlier: 4.841A pdb=" N GLYBK 665 " --> pdb=" O ARGBK 661 " (cutoff:3.500A) Processing helix chain 'BK' and resid 672 through 685 removed outlier: 4.272A pdb=" N ALABK 682 " --> pdb=" O ALABK 678 " (cutoff:3.500A) removed outlier: 3.551A pdb=" N GLNBK 684 " --> pdb=" O GLNBK 680 " (cutoff:3.500A) Processing helix chain 'BK' and resid 688 through 709 removed outlier: 4.275A pdb=" N THRBK 694 " --> pdb=" O LYSBK 690 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ILEBK 701 " --> pdb=" O ARGBK 697 " (cutoff:3.500A) removed outlier: 4.099A pdb=" N VALBK 702 " --> pdb=" O ALABK 698 " (cutoff:3.500A) removed outlier: 3.730A pdb=" N GLUBK 707 " --> pdb=" O SERBK 703 " (cutoff:3.500A) removed outlier: 4.564A pdb=" N ALABK 708 " --> pdb=" O TYRBK 704 " (cutoff:3.500A) removed outlier: 3.948A pdb=" N GLYBK 709 " --> pdb=" O GLUBK 705 " (cutoff:3.500A) Processing helix chain 'BK' and resid 715 through 723 removed outlier: 3.601A pdb=" N TYRBK 721 " --> pdb=" O THRBK 717 " (cutoff:3.500A) Processing helix chain 'BK' and resid 730 through 746 removed outlier: 4.354A pdb=" N TRPBK 736 " --> pdb=" O ASPBK 732 " (cutoff:3.500A) removed outlier: 3.783A pdb=" N ALABK 739 " --> pdb=" O LEUBK 735 " (cutoff:3.500A) removed outlier: 3.600A pdb=" N ALABK 743 " --> pdb=" O ALABK 739 " (cutoff:3.500A) removed outlier: 4.201A pdb=" N ARGBK 744 " --> pdb=" O ALABK 740 " (cutoff:3.500A) Processing helix chain 'BK' and resid 759 through 764 removed outlier: 4.947A pdb=" N ASNBK 763 " --> pdb=" O SERBK 759 " (cutoff:3.500A) Proline residue: BK 764 - end of helix No H-bonds generated for 'chain 'BK' and resid 759 through 764' Processing helix chain 'BK' and resid 787 through 795 removed outlier: 4.322A pdb=" N ALABK 791 " --> pdb=" O PROBK 787 " (cutoff:3.500A) removed outlier: 5.074A pdb=" N LEUBK 792 " --> pdb=" O LEUBK 788 " (cutoff:3.500A) removed outlier: 4.796A pdb=" N ARGBK 793 " --> pdb=" O LEUBK 789 " (cutoff:3.500A) removed outlier: 5.105A pdb=" N SERBK 794 " --> pdb=" O GLNBK 790 " (cutoff:3.500A) removed outlier: 5.603A pdb=" N LYSBK 795 " --> pdb=" O ALABK 791 " (cutoff:3.500A) No H-bonds generated for 'chain 'BK' and resid 787 through 795' Processing helix chain 'BK' and resid 796 through 802 removed outlier: 4.939A pdb=" N HISBK 802 " --> pdb=" O ARGBK 798 " (cutoff:3.500A) Processing helix chain 'BK' and resid 821 through 830 removed outlier: 4.356A pdb=" N ARGBK 826 " --> pdb=" O PROBK 822 " (cutoff:3.500A) removed outlier: 4.548A pdb=" N PHEBK 827 " --> pdb=" O ILEBK 823 " (cutoff:3.500A) removed outlier: 3.669A pdb=" N VALBK 828 " --> pdb=" O ARGBK 824 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N TYRBK 829 " --> pdb=" O ALABK 825 " (cutoff:3.500A) removed outlier: 4.456A pdb=" N ARGBK 830 " --> pdb=" O ARGBK 826 " (cutoff:3.500A) Processing helix chain 'BK' and resid 777 through 782 removed outlier: 4.073A pdb=" N ASPBK 780 " --> pdb=" O SERBK 777 " (cutoff:3.500A) removed outlier: 4.556A pdb=" N LEUBK 781 " --> pdb=" O THRBK 778 " (cutoff:3.500A) Processing helix chain 'BQ' and resid 44 through 54 removed outlier: 3.509A pdb=" N METBQ 48 " --> pdb=" O GLYBQ 44 " (cutoff:3.500A) removed outlier: 4.007A pdb=" N LYSBQ 49 " --> pdb=" O PROBQ 45 " (cutoff:3.500A) removed outlier: 4.409A pdb=" N TYRBQ 50 " --> pdb=" O TYRBQ 46 " (cutoff:3.500A) removed outlier: 3.719A pdb=" N TRPBQ 51 " --> pdb=" O VALBQ 47 " (cutoff:3.500A) removed outlier: 3.538A pdb=" N THRBQ 53 " --> pdb=" O LYSBQ 49 " (cutoff:3.500A) Processing helix chain 'BQ' and resid 66 through 78 removed outlier: 3.597A pdb=" N PHEBQ 70 " --> pdb=" O ARGBQ 66 " (cutoff:3.500A) removed outlier: 5.325A pdb=" N GLNBQ 75 " --> pdb=" O LEUBQ 71 " (cutoff:3.500A) removed outlier: 4.623A pdb=" N GLNBQ 76 " --> pdb=" O ALABQ 72 " (cutoff:3.500A) Processing helix chain 'BQ' and resid 80 through 91 removed outlier: 3.907A pdb=" N GLUBQ 85 " --> pdb=" O ILEBQ 81 " (cutoff:3.500A) removed outlier: 5.487A pdb=" N TRPBQ 86 " --> pdb=" O GLUBQ 82 " (cutoff:3.500A) removed outlier: 4.436A pdb=" N GLNBQ 88 " --> pdb=" O GLUBQ 84 " (cutoff:3.500A) removed outlier: 4.925A pdb=" N CYSBQ 89 " --> pdb=" O GLUBQ 85 " (cutoff:3.500A) removed outlier: 3.758A pdb=" N PHEBQ 90 " --> pdb=" O TRPBQ 86 " (cutoff:3.500A) Processing helix chain 'BQ' and resid 93 through 112 removed outlier: 3.599A pdb=" N GLUBQ 97 " --> pdb=" O ASNBQ 93 " (cutoff:3.500A) removed outlier: 3.542A pdb=" N ALABQ 101 " --> pdb=" O GLUBQ 97 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N THRBQ 102 " --> pdb=" O LEUBQ 98 " (cutoff:3.500A) removed outlier: 4.204A pdb=" N SERBQ 103 " --> pdb=" O LYSBQ 99 " (cutoff:3.500A) removed outlier: 4.654A pdb=" N GLUBQ 111 " --> pdb=" O LYSBQ 107 " (cutoff:3.500A) Processing helix chain 'BQ' and resid 128 through 143 removed outlier: 4.826A pdb=" N ALABQ 133 " --> pdb=" O SERBQ 129 " (cutoff:3.500A) Proline residue: BQ 134 - end of helix removed outlier: 3.550A pdb=" N GLNBQ 137 " --> pdb=" O ALABQ 133 " (cutoff:3.500A) removed outlier: 3.629A pdb=" N ARGBQ 140 " --> pdb=" O ALABQ 136 " (cutoff:3.500A) Processing helix chain 'BQ' and resid 147 through 158 removed outlier: 3.720A pdb=" N VALBQ 151 " --> pdb=" O PROBQ 147 " (cutoff:3.500A) removed outlier: 4.436A pdb=" N LEUBQ 155 " --> pdb=" O VALBQ 151 " (cutoff:3.500A) removed outlier: 3.625A pdb=" N GLYBQ 156 " --> pdb=" O ARGBQ 152 " (cutoff:3.500A) Proline residue: BQ 158 - end of helix Processing helix chain 'BQ' and resid 159 through 178 removed outlier: 4.372A pdb=" N ARGBQ 163 " --> pdb=" O ALABQ 159 " (cutoff:3.500A) removed outlier: 3.766A pdb=" N LYSBQ 165 " --> pdb=" O ARGBQ 161 " (cutoff:3.500A) removed outlier: 4.464A pdb=" N CYSBQ 178 " --> pdb=" O SERBQ 174 " (cutoff:3.500A) Processing helix chain 'BQ' and resid 180 through 192 removed outlier: 3.991A pdb=" N LEUBQ 186 " --> pdb=" O PROBQ 182 " (cutoff:3.500A) removed outlier: 3.709A pdb=" N LEUBQ 189 " --> pdb=" O ARGBQ 185 " (cutoff:3.500A) removed outlier: 3.784A pdb=" N ALABQ 190 " --> pdb=" O LEUBQ 186 " (cutoff:3.500A) Processing helix chain 'BQ' and resid 233 through 254 removed outlier: 3.898A pdb=" N ILEBQ 240 " --> pdb=" O GLUBQ 236 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N GLYBQ 249 " --> pdb=" O THRBQ 245 " (cutoff:3.500A) removed outlier: 3.504A pdb=" N CYSBQ 250 " --> pdb=" O PHEBQ 246 " (cutoff:3.500A) removed outlier: 3.814A pdb=" N THRBQ 251 " --> pdb=" O SERBQ 247 " (cutoff:3.500A) Processing helix chain 'BQ' and resid 255 through 270 removed outlier: 4.010A pdb=" N SERBQ 261 " --> pdb=" O GLUBQ 257 " (cutoff:3.500A) removed outlier: 3.723A pdb=" N SERBQ 265 " --> pdb=" O SERBQ 261 " (cutoff:3.500A) removed outlier: 4.686A pdb=" N GLYBQ 268 " --> pdb=" O SERBQ 264 " (cutoff:3.500A) removed outlier: 4.816A pdb=" N PHEBQ 269 " --> pdb=" O SERBQ 265 " (cutoff:3.500A) removed outlier: 3.942A pdb=" N SERBQ 270 " --> pdb=" O SERBQ 266 " (cutoff:3.500A) Processing helix chain 'BQ' and resid 273 through 291 removed outlier: 3.952A pdb=" N GLYBQ 277 " --> pdb=" O ASPBQ 273 " (cutoff:3.500A) removed outlier: 3.548A pdb=" N VALBQ 278 " --> pdb=" O ASNBQ 274 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N SERBQ 284 " --> pdb=" O HISBQ 280 " (cutoff:3.500A) removed outlier: 3.839A pdb=" N ILEBQ 288 " --> pdb=" O SERBQ 284 " (cutoff:3.500A) removed outlier: 5.610A pdb=" N LEUBQ 289 " --> pdb=" O ALABQ 285 " (cutoff:3.500A) Processing helix chain 'BQ' and resid 292 through 307 removed outlier: 3.670A pdb=" N ALABQ 296 " --> pdb=" O LEUBQ 292 " (cutoff:3.500A) removed outlier: 4.216A pdb=" N GLUBQ 297 " --> pdb=" O TYRBQ 293 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N PHEBQ 298 " --> pdb=" O LYSBQ 294 " (cutoff:3.500A) removed outlier: 3.561A pdb=" N ALABQ 303 " --> pdb=" O HISBQ 299 " (cutoff:3.500A) removed outlier: 3.739A pdb=" N GLUBQ 307 " --> pdb=" O ALABQ 303 " (cutoff:3.500A) Processing helix chain 'BQ' and resid 314 through 332 removed outlier: 4.439A pdb=" N GLYBQ 318 " --> pdb=" O ARGBQ 314 " (cutoff:3.500A) removed outlier: 3.976A pdb=" N ARGBQ 319 " --> pdb=" O LYSBQ 315 " (cutoff:3.500A) removed outlier: 3.918A pdb=" N GLYBQ 320 " --> pdb=" O SERBQ 316 " (cutoff:3.500A) removed outlier: 4.908A pdb=" N TYRBQ 321 " --> pdb=" O GLYBQ 317 " (cutoff:3.500A) removed outlier: 3.994A pdb=" N LEUBQ 323 " --> pdb=" O ARGBQ 319 " (cutoff:3.500A) removed outlier: 4.808A pdb=" N TRPBQ 324 " --> pdb=" O GLYBQ 320 " (cutoff:3.500A) removed outlier: 4.896A pdb=" N THRBQ 328 " --> pdb=" O TRPBQ 324 " (cutoff:3.500A) Processing helix chain 'BQ' and resid 333 through 348 removed outlier: 3.722A pdb=" N ARGBQ 339 " --> pdb=" O ASPBQ 335 " (cutoff:3.500A) removed outlier: 4.087A pdb=" N GLUBQ 342 " --> pdb=" O SERBQ 338 " (cutoff:3.500A) removed outlier: 3.594A pdb=" N GLUBQ 346 " --> pdb=" O GLUBQ 342 " (cutoff:3.500A) removed outlier: 3.812A pdb=" N VALBQ 347 " --> pdb=" O LYSBQ 343 " (cutoff:3.500A) Processing helix chain 'BQ' and resid 351 through 365 removed outlier: 3.513A pdb=" N GLUBQ 359 " --> pdb=" O LYSBQ 355 " (cutoff:3.500A) removed outlier: 4.235A pdb=" N ALABQ 362 " --> pdb=" O GLNBQ 358 " (cutoff:3.500A) removed outlier: 3.716A pdb=" N GLYBQ 363 " --> pdb=" O GLUBQ 359 " (cutoff:3.500A) removed outlier: 4.125A pdb=" N ALABQ 364 " --> pdb=" O LYSBQ 360 " (cutoff:3.500A) removed outlier: 4.133A pdb=" N VALBQ 365 " --> pdb=" O LEUBQ 361 " (cutoff:3.500A) Processing helix chain 'BQ' and resid 381 through 391 removed outlier: 3.603A pdb=" N GLNBQ 385 " --> pdb=" O SERBQ 381 " (cutoff:3.500A) removed outlier: 3.576A pdb=" N ARGBQ 387 " --> pdb=" O GLYBQ 383 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N LEUBQ 389 " --> pdb=" O GLNBQ 385 " (cutoff:3.500A) removed outlier: 4.452A pdb=" N HISBQ 391 " --> pdb=" O ARGBQ 387 " (cutoff:3.500A) Processing helix chain 'BQ' and resid 425 through 430 removed outlier: 3.855A pdb=" N VALBQ 429 " --> pdb=" O VALBQ 425 " (cutoff:3.500A) removed outlier: 5.458A pdb=" N GLYBQ 430 " --> pdb=" O PHEBQ 426 " (cutoff:3.500A) No H-bonds generated for 'chain 'BQ' and resid 425 through 430' Processing helix chain 'BQ' and resid 25 through 30 Proline residue: BQ 30 - end of helix No H-bonds generated for 'chain 'BQ' and resid 25 through 30' Processing helix chain 'BQ' and resid 366 through 372 removed outlier: 3.598A pdb=" N ALABQ 371 " --> pdb=" O PROBQ 366 " (cutoff:3.500A) removed outlier: 5.016A pdb=" N SERBQ 372 " --> pdb=" O ALABQ 367 " (cutoff:3.500A) No H-bonds generated for 'chain 'BQ' and resid 366 through 372' Processing helix chain 'BN' and resid 93 through 105 removed outlier: 3.851A pdb=" N ARGBN 97 " --> pdb=" O VALBN 93 " (cutoff:3.500A) removed outlier: 5.286A pdb=" N GLUBN 98 " --> pdb=" O PROBN 94 " (cutoff:3.500A) removed outlier: 4.439A pdb=" N ARGBN 99 " --> pdb=" O SERBN 95 " (cutoff:3.500A) removed outlier: 5.751A pdb=" N ILEBN 101 " --> pdb=" O ARGBN 97 " (cutoff:3.500A) removed outlier: 3.945A pdb=" N ARGBN 102 " --> pdb=" O GLUBN 98 " (cutoff:3.500A) removed outlier: 4.109A pdb=" N GLUBN 103 " --> pdb=" O ARGBN 99 " (cutoff:3.500A) removed outlier: 4.908A pdb=" N TYRBN 104 " --> pdb=" O ILEBN 100 " (cutoff:3.500A) Processing helix chain 'BN' and resid 124 through 130 removed outlier: 3.919A pdb=" N VALBN 128 " --> pdb=" O THRBN 124 " (cutoff:3.500A) removed outlier: 3.607A pdb=" N ALABN 129 " --> pdb=" O ALABN 125 " (cutoff:3.500A) removed outlier: 6.269A pdb=" N ALABN 130 " --> pdb=" O ARGBN 126 " (cutoff:3.500A) No H-bonds generated for 'chain 'BN' and resid 124 through 130' Processing helix chain 'BN' and resid 131 through 144 removed outlier: 4.174A pdb=" N VALBN 135 " --> pdb=" O CYSBN 131 " (cutoff:3.500A) removed outlier: 4.612A pdb=" N ARGBN 136 " --> pdb=" O LYSBN 132 " (cutoff:3.500A) removed outlier: 4.034A pdb=" N ARGBN 141 " --> pdb=" O ARGBN 137 " (cutoff:3.500A) Processing helix chain 'BN' and resid 184 through 191 removed outlier: 4.714A pdb=" N ARGBN 188 " --> pdb=" O ALABN 184 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N VALBN 189 " --> pdb=" O GLUBN 185 " (cutoff:3.500A) Processing helix chain 'BN' and resid 224 through 242 removed outlier: 4.062A pdb=" N LEUBN 232 " --> pdb=" O HISBN 228 " (cutoff:3.500A) removed outlier: 4.919A pdb=" N GLNBN 235 " --> pdb=" O PHEBN 231 " (cutoff:3.500A) removed outlier: 3.520A pdb=" N ARGBN 238 " --> pdb=" O GLUBN 234 " (cutoff:3.500A) removed outlier: 4.020A pdb=" N HISBN 239 " --> pdb=" O GLNBN 235 " (cutoff:3.500A) removed outlier: 3.750A pdb=" N METBN 240 " --> pdb=" O LEUBN 236 " (cutoff:3.500A) removed outlier: 3.914A pdb=" N THRBN 241 " --> pdb=" O HISBN 237 " (cutoff:3.500A) removed outlier: 4.147A pdb=" N THRBN 242 " --> pdb=" O ARGBN 238 " (cutoff:3.500A) Processing helix chain 'BN' and resid 286 through 294 removed outlier: 3.886A pdb=" N HISBN 292 " --> pdb=" O VALBN 288 " (cutoff:3.500A) removed outlier: 3.549A pdb=" N ASPBN 293 " --> pdb=" O ALABN 289 " (cutoff:3.500A) Processing helix chain 'BO' and resid 30 through 36 removed outlier: 4.297A pdb=" N ASNBO 34 " --> pdb=" O TRPBO 30 " (cutoff:3.500A) removed outlier: 3.582A pdb=" N LEUBO 35 " --> pdb=" O PHEBO 31 " (cutoff:3.500A) Processing helix chain 'BO' and resid 91 through 96 Proline residue: BO 95 - end of helix No H-bonds generated for 'chain 'BO' and resid 91 through 96' Processing helix chain 'BO' and resid 176 through 181 removed outlier: 4.326A pdb=" N LYSBO 181 " --> pdb=" O LYSBO 177 " (cutoff:3.500A) Processing helix chain 'At' and resid 13 through 18 removed outlier: 3.973A pdb=" N ARGAt 17 " --> pdb=" O METAt 13 " (cutoff:3.500A) removed outlier: 5.203A pdb=" N GLYAt 18 " --> pdb=" O LYSAt 14 " (cutoff:3.500A) No H-bonds generated for 'chain 'At' and resid 13 through 18' Processing helix chain 'At' and resid 37 through 71 removed outlier: 3.743A pdb=" N METAt 42 " --> pdb=" O ALAAt 38 " (cutoff:3.500A) removed outlier: 3.610A pdb=" N ARGAt 43 " --> pdb=" O ARGAt 39 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N TRPAt 44 " --> pdb=" O SERAt 40 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N GLNAt 52 " --> pdb=" O METAt 48 " (cutoff:3.500A) removed outlier: 3.899A pdb=" N THRAt 53 " --> pdb=" O GLUAt 49 " (cutoff:3.500A) removed outlier: 4.049A pdb=" N ASNAt 55 " --> pdb=" O LEUAt 51 " (cutoff:3.500A) removed outlier: 4.005A pdb=" N ASNAt 58 " --> pdb=" O ARGAt 54 " (cutoff:3.500A) removed outlier: 3.631A pdb=" N ARGAt 61 " --> pdb=" O METAt 57 " (cutoff:3.500A) removed outlier: 3.708A pdb=" N THRAt 63 " --> pdb=" O ALAAt 59 " (cutoff:3.500A) removed outlier: 3.622A pdb=" N ASNAt 69 " --> pdb=" O SERAt 65 " (cutoff:3.500A) Processing helix chain 'At' and resid 78 through 88 removed outlier: 4.397A pdb=" N GLUAt 85 " --> pdb=" O GLUAt 81 " (cutoff:3.500A) removed outlier: 3.692A pdb=" N ARGAt 86 " --> pdb=" O ARGAt 82 " (cutoff:3.500A) Processing helix chain 'At' and resid 98 through 132 removed outlier: 3.849A pdb=" N ARGAt 104 " --> pdb=" O THRAt 100 " (cutoff:3.500A) removed outlier: 4.647A pdb=" N GLUAt 107 " --> pdb=" O ALAAt 103 " (cutoff:3.500A) removed outlier: 3.666A pdb=" N METAt 108 " --> pdb=" O ARGAt 104 " (cutoff:3.500A) removed outlier: 3.838A pdb=" N LEUAt 110 " --> pdb=" O ALAAt 106 " (cutoff:3.500A) removed outlier: 4.225A pdb=" N LEUAt 111 " --> pdb=" O GLUAt 107 " (cutoff:3.500A) removed outlier: 4.299A pdb=" N ARGAt 113 " --> pdb=" O VALAt 109 " (cutoff:3.500A) removed outlier: 3.855A pdb=" N LYSAt 121 " --> pdb=" O GLUAt 117 " (cutoff:3.500A) removed outlier: 3.972A pdb=" N LYSAt 122 " --> pdb=" O ALAAt 118 " (cutoff:3.500A) removed outlier: 3.501A pdb=" N SERAt 126 " --> pdb=" O LYSAt 122 " (cutoff:3.500A) removed outlier: 4.444A pdb=" N ARGAt 131 " --> pdb=" O GLNAt 127 " (cutoff:3.500A) removed outlier: 4.568A pdb=" N ARGAt 132 " --> pdb=" O ARGAt 128 " (cutoff:3.500A) Processing helix chain 'At' and resid 148 through 158 removed outlier: 3.626A pdb=" N ALAAt 153 " --> pdb=" O PROAt 149 " (cutoff:3.500A) removed outlier: 5.086A pdb=" N SERAt 154 " --> pdb=" O ARGAt 150 " (cutoff:3.500A) removed outlier: 4.849A pdb=" N SERAt 157 " --> pdb=" O ALAAt 153 " (cutoff:3.500A) removed outlier: 4.744A pdb=" N ASNAt 158 " --> pdb=" O SERAt 154 " (cutoff:3.500A) Processing helix chain 'Au' and resid 115 through 168 removed outlier: 3.722A pdb=" N ALAAu 123 " --> pdb=" O VALAu 119 " (cutoff:3.500A) removed outlier: 3.674A pdb=" N LYSAu 126 " --> pdb=" O HISAu 122 " (cutoff:3.500A) removed outlier: 4.016A pdb=" N ASPAu 129 " --> pdb=" O GLUAu 125 " (cutoff:3.500A) removed outlier: 3.705A pdb=" N HISAu 135 " --> pdb=" O ALAAu 131 " (cutoff:3.500A) removed outlier: 4.453A pdb=" N ARGAu 139 " --> pdb=" O HISAu 135 " (cutoff:3.500A) removed outlier: 3.526A pdb=" N LEUAu 140 " --> pdb=" O ARGAu 136 " (cutoff:3.500A) removed outlier: 3.669A pdb=" N VALAu 141 " --> pdb=" O ASPAu 137 " (cutoff:3.500A) removed outlier: 3.926A pdb=" N GLUAu 142 " --> pdb=" O ARGAu 138 " (cutoff:3.500A) removed outlier: 4.089A pdb=" N GLNAu 143 " --> pdb=" O ARGAu 139 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N LYSAu 155 " --> pdb=" O GLYAu 151 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N ARGAu 158 " --> pdb=" O METAu 154 " (cutoff:3.500A) removed outlier: 4.559A pdb=" N GLUAu 166 " --> pdb=" O ARGAu 162 " (cutoff:3.500A) removed outlier: 3.566A pdb=" N HISAu 167 " --> pdb=" O TRPAu 163 " (cutoff:3.500A) Processing helix chain 'Au' and resid 176 through 183 removed outlier: 4.533A pdb=" N ASPAu 180 " --> pdb=" O GLYAu 176 " (cutoff:3.500A) removed outlier: 4.876A pdb=" N GLUAu 183 " --> pdb=" O VALAu 179 " (cutoff:3.500A) Processing helix chain 'Ae' and resid 8 through 15 removed outlier: 3.607A pdb=" N LEUAe 13 " --> pdb=" O THRAe 9 " (cutoff:3.500A) removed outlier: 3.688A pdb=" N LYSAe 15 " --> pdb=" O ALAAe 11 " (cutoff:3.500A) Processing helix chain 'Ae' and resid 78 through 85 Processing helix chain 'Ae' and resid 137 through 143 removed outlier: 4.149A pdb=" N TRPAe 141 " --> pdb=" O ALAAe 137 " (cutoff:3.500A) removed outlier: 3.692A pdb=" N GLUAe 142 " --> pdb=" O PROAe 138 " (cutoff:3.500A) removed outlier: 6.625A pdb=" N ARGAe 143 " --> pdb=" O SERAe 139 " (cutoff:3.500A) No H-bonds generated for 'chain 'Ae' and resid 137 through 143' Processing helix chain 'Ae' and resid 147 through 152 Proline residue: Ae 152 - end of helix Processing helix chain 'Ae' and resid 193 through 210 removed outlier: 3.650A pdb=" N ASPAe 202 " --> pdb=" O LYSAe 198 " (cutoff:3.500A) removed outlier: 4.214A pdb=" N SERAe 209 " --> pdb=" O ARGAe 205 " (cutoff:3.500A) removed outlier: 5.100A pdb=" N ALAAe 210 " --> pdb=" O ARGAe 206 " (cutoff:3.500A) Processing helix chain 'Ae' and resid 251 through 274 removed outlier: 3.920A pdb=" N GLNAe 257 " --> pdb=" O GLNAe 253 " (cutoff:3.500A) removed outlier: 3.525A pdb=" N TRPAe 264 " --> pdb=" O METAe 260 " (cutoff:3.500A) Processing helix chain 'Ae' and resid 283 through 293 removed outlier: 5.647A pdb=" N TRPAe 287 " --> pdb=" O ASPAe 283 " (cutoff:3.500A) removed outlier: 4.458A pdb=" N GLUAe 288 " --> pdb=" O ASPAe 284 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N GLNAe 289 " --> pdb=" O TYRAe 285 " (cutoff:3.500A) removed outlier: 3.509A pdb=" N LEUAe 290 " --> pdb=" O LYSAe 286 " (cutoff:3.500A) removed outlier: 6.170A pdb=" N ILEAe 291 " --> pdb=" O TRPAe 287 " (cutoff:3.500A) removed outlier: 5.023A pdb=" N ALAAe 292 " --> pdb=" O GLUAe 288 " (cutoff:3.500A) removed outlier: 5.027A pdb=" N PHEAe 293 " --> pdb=" O GLNAe 289 " (cutoff:3.500A) No H-bonds generated for 'chain 'Ae' and resid 283 through 293' Processing helix chain 'Ae' and resid 71 through 76 removed outlier: 3.938A pdb=" N ASNAe 74 " --> pdb=" O GLYAe 71 " (cutoff:3.500A) removed outlier: 4.402A pdb=" N THRAe 75 " --> pdb=" O ASNAe 72 " (cutoff:3.500A) removed outlier: 3.685A pdb=" N METAe 76 " --> pdb=" O THRAe 73 " (cutoff:3.500A) No H-bonds generated for 'chain 'Ae' and resid 71 through 76' Processing helix chain 'Ae' and resid 215 through 220 removed outlier: 5.420A pdb=" N PHEAe 220 " --> pdb=" O ASPAe 217 " (cutoff:3.500A) Processing helix chain 'Af' and resid 11 through 20 removed outlier: 5.715A pdb=" N ARGAf 16 " --> pdb=" O ARGAf 12 " (cutoff:3.500A) removed outlier: 4.511A pdb=" N GLUAf 17 " --> pdb=" O THRAf 13 " (cutoff:3.500A) removed outlier: 4.548A pdb=" N LEUAf 18 " --> pdb=" O ALAAf 14 " (cutoff:3.500A) removed outlier: 4.114A pdb=" N LEUAf 19 " --> pdb=" O TRPAf 15 " (cutoff:3.500A) removed outlier: 4.179A pdb=" N HISAf 20 " --> pdb=" O ARGAf 16 " (cutoff:3.500A) Processing helix chain 'Af' and resid 23 through 46 removed outlier: 3.514A pdb=" N GLNAf 30 " --> pdb=" O ALAAf 26 " (cutoff:3.500A) removed outlier: 3.938A pdb=" N LEUAf 32 " --> pdb=" O ARGAf 28 " (cutoff:3.500A) removed outlier: 3.693A pdb=" N LYSAf 33 " --> pdb=" O GLNAf 29 " (cutoff:3.500A) removed outlier: 3.840A pdb=" N METAf 39 " --> pdb=" O ASPAf 35 " (cutoff:3.500A) removed outlier: 3.805A pdb=" N ALAAf 42 " --> pdb=" O GLUAf 38 " (cutoff:3.500A) removed outlier: 3.818A pdb=" N ILEAf 43 " --> pdb=" O METAf 39 " (cutoff:3.500A) removed outlier: 3.832A pdb=" N LEUAf 44 " --> pdb=" O ASNAf 40 " (cutoff:3.500A) removed outlier: 4.350A pdb=" N ARGAf 45 " --> pdb=" O GLUAf 41 " (cutoff:3.500A) removed outlier: 4.276A pdb=" N GLUAf 46 " --> pdb=" O ALAAf 42 " (cutoff:3.500A) Processing helix chain 'Af' and resid 62 through 69 removed outlier: 5.323A pdb=" N ALAAf 69 " --> pdb=" O VALAf 65 " (cutoff:3.500A) Processing helix chain 'Af' and resid 80 through 89 removed outlier: 3.530A pdb=" N GLNAf 86 " --> pdb=" O GLYAf 82 " (cutoff:3.500A) Processing helix chain 'Af' and resid 95 through 106 removed outlier: 4.066A pdb=" N GLNAf 100 " --> pdb=" O PROAf 96 " (cutoff:3.500A) removed outlier: 3.506A pdb=" N GLUAf 101 " --> pdb=" O GLUAf 97 " (cutoff:3.500A) removed outlier: 3.521A pdb=" N LEUAf 102 " --> pdb=" O ARGAf 98 " (cutoff:3.500A) removed outlier: 5.016A pdb=" N GLNAf 105 " --> pdb=" O GLUAf 101 " (cutoff:3.500A) removed outlier: 4.231A pdb=" N LEUAf 106 " --> pdb=" O LEUAf 102 " (cutoff:3.500A) Processing helix chain 'Af' and resid 125 through 131 removed outlier: 3.503A pdb=" N GLUAf 129 " --> pdb=" O ALAAf 125 " (cutoff:3.500A) Processing helix chain 'Af' and resid 149 through 154 removed outlier: 3.651A pdb=" N ARGAf 152 " --> pdb=" O GLNAf 149 " (cutoff:3.500A) removed outlier: 3.825A pdb=" N SERAf 153 " --> pdb=" O PROAf 150 " (cutoff:3.500A) removed outlier: 5.202A pdb=" N GLUAf 154 " --> pdb=" O SERAf 151 " (cutoff:3.500A) No H-bonds generated for 'chain 'Af' and resid 149 through 154' Processing helix chain 'Ah' and resid 97 through 103 removed outlier: 4.463A pdb=" N CYSAh 101 " --> pdb=" O LEUAh 97 " (cutoff:3.500A) removed outlier: 6.020A pdb=" N ASPAh 103 " --> pdb=" O ASPAh 99 " (cutoff:3.500A) Processing helix chain 'Ah' and resid 104 through 127 removed outlier: 4.528A pdb=" N ARGAh 108 " --> pdb=" O ARGAh 104 " (cutoff:3.500A) removed outlier: 3.720A pdb=" N ASNAh 115 " --> pdb=" O TYRAh 111 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N LEUAh 116 " --> pdb=" O ARGAh 112 " (cutoff:3.500A) removed outlier: 5.979A pdb=" N THRAh 118 " --> pdb=" O TYRAh 114 " (cutoff:3.500A) removed outlier: 4.447A pdb=" N LYSAh 119 " --> pdb=" O ASNAh 115 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N ASPAh 126 " --> pdb=" O TRPAh 122 " (cutoff:3.500A) Processing helix chain 'Ah' and resid 128 through 142 removed outlier: 4.654A pdb=" N GLYAh 132 " --> pdb=" O PROAh 128 " (cutoff:3.500A) removed outlier: 5.737A pdb=" N METAh 133 " --> pdb=" O GLUAh 129 " (cutoff:3.500A) removed outlier: 3.541A pdb=" N LEUAh 134 " --> pdb=" O LEUAh 130 " (cutoff:3.500A) removed outlier: 3.920A pdb=" N LEUAh 135 " --> pdb=" O ILEAh 131 " (cutoff:3.500A) removed outlier: 4.261A pdb=" N HISAh 136 " --> pdb=" O GLYAh 132 " (cutoff:3.500A) Processing helix chain 'Ah' and resid 148 through 167 removed outlier: 3.842A pdb=" N LEUAh 152 " --> pdb=" O ALAAh 148 " (cutoff:3.500A) removed outlier: 4.688A pdb=" N ALAAh 154 " --> pdb=" O ASPAh 150 " (cutoff:3.500A) removed outlier: 4.056A pdb=" N HISAh 157 " --> pdb=" O ASPAh 153 " (cutoff:3.500A) removed outlier: 4.006A pdb=" N ARGAh 160 " --> pdb=" O LEUAh 156 " (cutoff:3.500A) removed outlier: 3.577A pdb=" N GLUAh 161 " --> pdb=" O HISAh 157 " (cutoff:3.500A) removed outlier: 4.691A pdb=" N ARGAh 163 " --> pdb=" O THRAh 159 " (cutoff:3.500A) removed outlier: 4.054A pdb=" N ARGAh 166 " --> pdb=" O ALAAh 162 " (cutoff:3.500A) Processing helix chain 'Ah' and resid 198 through 218 removed outlier: 4.069A pdb=" N METAh 206 " --> pdb=" O ARGAh 202 " (cutoff:3.500A) removed outlier: 4.406A pdb=" N ASPAh 207 " --> pdb=" O HISAh 203 " (cutoff:3.500A) removed outlier: 3.733A pdb=" N LEUAh 208 " --> pdb=" O ALAAh 204 " (cutoff:3.500A) Processing helix chain 'Ah' and resid 223 through 229 removed outlier: 3.820A pdb=" N ARGAh 227 " --> pdb=" O TYRAh 223 " (cutoff:3.500A) removed outlier: 3.703A pdb=" N TRPAh 228 " --> pdb=" O LEUAh 224 " (cutoff:3.500A) removed outlier: 6.585A pdb=" N GLYAh 229 " --> pdb=" O TRPAh 225 " (cutoff:3.500A) No H-bonds generated for 'chain 'Ah' and resid 223 through 229' Processing helix chain 'Ah' and resid 259 through 265 removed outlier: 3.590A pdb=" N VALAh 263 " --> pdb=" O THRAh 259 " (cutoff:3.500A) Proline residue: Ah 265 - end of helix Processing helix chain 'Ah' and resid 268 through 277 removed outlier: 4.330A pdb=" N GLUAh 274 " --> pdb=" O GLUAh 270 " (cutoff:3.500A) removed outlier: 5.235A pdb=" N ARGAh 275 " --> pdb=" O GLNAh 271 " (cutoff:3.500A) removed outlier: 4.419A pdb=" N TYRAh 276 " --> pdb=" O ILEAh 272 " (cutoff:3.500A) removed outlier: 3.972A pdb=" N ARGAh 277 " --> pdb=" O ARGAh 273 " (cutoff:3.500A) Processing helix chain 'Ah' and resid 283 through 288 removed outlier: 4.236A pdb=" N PHEAh 287 " --> pdb=" O ASPAh 283 " (cutoff:3.500A) Processing helix chain 'Ah' and resid 308 through 321 removed outlier: 3.556A pdb=" N ALAAh 312 " --> pdb=" O ALAAh 308 " (cutoff:3.500A) removed outlier: 3.680A pdb=" N LYSAh 315 " --> pdb=" O VALAh 311 " (cutoff:3.500A) removed outlier: 3.717A pdb=" N LYSAh 320 " --> pdb=" O ASPAh 316 " (cutoff:3.500A) Processing helix chain 'Ah' and resid 334 through 346 removed outlier: 4.006A pdb=" N THRAh 339 " --> pdb=" O ALAAh 335 " (cutoff:3.500A) removed outlier: 4.452A pdb=" N LEUAh 340 " --> pdb=" O ASPAh 336 " (cutoff:3.500A) removed outlier: 3.937A pdb=" N TYRAh 342 " --> pdb=" O ARGAh 338 " (cutoff:3.500A) removed outlier: 3.577A pdb=" N SERAh 344 " --> pdb=" O LEUAh 340 " (cutoff:3.500A) Processing helix chain 'Ah' and resid 347 through 358 removed outlier: 3.736A pdb=" N VALAh 352 " --> pdb=" O GLUAh 348 " (cutoff:3.500A) removed outlier: 3.535A pdb=" N GLYAh 355 " --> pdb=" O ALAAh 351 " (cutoff:3.500A) removed outlier: 4.389A pdb=" N ALAAh 357 " --> pdb=" O ALAAh 353 " (cutoff:3.500A) removed outlier: 4.926A pdb=" N SERAh 358 " --> pdb=" O ASPAh 354 " (cutoff:3.500A) Processing helix chain 'Ah' and resid 359 through 366 removed outlier: 4.025A pdb=" N VALAh 363 " --> pdb=" O TRPAh 359 " (cutoff:3.500A) removed outlier: 3.903A pdb=" N ASPAh 364 " --> pdb=" O GLUAh 360 " (cutoff:3.500A) Processing helix chain 'Ah' and resid 367 through 388 removed outlier: 4.488A pdb=" N ASPAh 374 " --> pdb=" O GLNAh 370 " (cutoff:3.500A) removed outlier: 5.571A pdb=" N GLUAh 375 " --> pdb=" O ALAAh 371 " (cutoff:3.500A) removed outlier: 6.458A pdb=" N LYSAh 376 " --> pdb=" O GLUAh 372 " (cutoff:3.500A) removed outlier: 4.122A pdb=" N ALAAh 380 " --> pdb=" O LYSAh 376 " (cutoff:3.500A) removed outlier: 3.758A pdb=" N ARGAh 381 " --> pdb=" O ILEAh 377 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N ASNAh 385 " --> pdb=" O ARGAh 381 " (cutoff:3.500A) removed outlier: 4.326A pdb=" N HISAh 388 " --> pdb=" O GLNAh 384 " (cutoff:3.500A) Processing helix chain 'Ah' and resid 389 through 401 removed outlier: 3.570A pdb=" N ALAAh 395 " --> pdb=" O GLUAh 391 " (cutoff:3.500A) removed outlier: 3.581A pdb=" N CYSAh 401 " --> pdb=" O PHEAh 397 " (cutoff:3.500A) Processing helix chain 'Ah' and resid 410 through 431 removed outlier: 3.776A pdb=" N LEUAh 425 " --> pdb=" O TYRAh 421 " (cutoff:3.500A) removed outlier: 3.697A pdb=" N ARGAh 426 " --> pdb=" O LEUAh 422 " (cutoff:3.500A) removed outlier: 4.090A pdb=" N ARGAh 427 " --> pdb=" O THRAh 423 " (cutoff:3.500A) removed outlier: 3.875A pdb=" N CYSAh 429 " --> pdb=" O LEUAh 425 " (cutoff:3.500A) removed outlier: 4.814A pdb=" N THRAh 430 " --> pdb=" O ARGAh 426 " (cutoff:3.500A) Processing helix chain 'Ah' and resid 432 through 441 removed outlier: 3.863A pdb=" N ALAAh 437 " --> pdb=" O ALAAh 433 " (cutoff:3.500A) Processing helix chain 'Ah' and resid 443 through 451 removed outlier: 3.755A pdb=" N ARGAh 447 " --> pdb=" O THRAh 443 " (cutoff:3.500A) removed outlier: 3.615A pdb=" N VALAh 448 " --> pdb=" O ASPAh 444 " (cutoff:3.500A) Processing helix chain 'Ah' and resid 453 through 475 removed outlier: 3.807A pdb=" N VALAh 458 " --> pdb=" O ASPAh 454 " (cutoff:3.500A) removed outlier: 3.520A pdb=" N HISAh 461 " --> pdb=" O LEUAh 457 " (cutoff:3.500A) removed outlier: 4.210A pdb=" N LEUAh 467 " --> pdb=" O GLUAh 463 " (cutoff:3.500A) removed outlier: 4.028A pdb=" N ASPAh 468 " --> pdb=" O ASPAh 464 " (cutoff:3.500A) removed outlier: 3.798A pdb=" N LYSAh 469 " --> pdb=" O ALAAh 465 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N LYSAh 470 " --> pdb=" O ILEAh 466 " (cutoff:3.500A) removed outlier: 4.304A pdb=" N ARGAh 472 " --> pdb=" O ASPAh 468 " (cutoff:3.500A) removed outlier: 3.571A pdb=" N LEUAh 473 " --> pdb=" O LYSAh 469 " (cutoff:3.500A) Processing helix chain 'Ap' and resid 41 through 48 removed outlier: 3.695A pdb=" N PHEAp 46 " --> pdb=" O ASNAp 42 " (cutoff:3.500A) removed outlier: 5.187A pdb=" N LYSAp 47 " --> pdb=" O GLUAp 43 " (cutoff:3.500A) removed outlier: 4.374A pdb=" N ALAAp 48 " --> pdb=" O GLNAp 44 " (cutoff:3.500A) Processing helix chain 'Ap' and resid 56 through 71 removed outlier: 3.599A pdb=" N ASNAp 70 " --> pdb=" O VALAp 66 " (cutoff:3.500A) Processing helix chain 'Ap' and resid 74 through 85 removed outlier: 4.060A pdb=" N TRPAp 79 " --> pdb=" O VALAp 75 " (cutoff:3.500A) removed outlier: 4.381A pdb=" N CYSAp 82 " --> pdb=" O LEUAp 78 " (cutoff:3.500A) removed outlier: 3.806A pdb=" N LEUAp 83 " --> pdb=" O TRPAp 79 " (cutoff:3.500A) removed outlier: 4.803A pdb=" N HISAp 84 " --> pdb=" O GLUAp 80 " (cutoff:3.500A) removed outlier: 4.506A pdb=" N ASPAp 85 " --> pdb=" O HISAp 81 " (cutoff:3.500A) Processing helix chain 'Ap' and resid 92 through 107 removed outlier: 3.607A pdb=" N LEUAp 96 " --> pdb=" O SERAp 92 " (cutoff:3.500A) removed outlier: 3.610A pdb=" N VALAp 99 " --> pdb=" O HISAp 95 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N ALAAp 105 " --> pdb=" O GLNAp 101 " (cutoff:3.500A) removed outlier: 3.760A pdb=" N GLYAp 107 " --> pdb=" O ALAAp 103 " (cutoff:3.500A) Processing helix chain 'Ap' and resid 128 through 147 removed outlier: 3.517A pdb=" N ARGAp 133 " --> pdb=" O PHEAp 129 " (cutoff:3.500A) removed outlier: 4.666A pdb=" N ALAAp 134 " --> pdb=" O GLUAp 130 " (cutoff:3.500A) removed outlier: 3.535A pdb=" N LEUAp 135 " --> pdb=" O GLUAp 131 " (cutoff:3.500A) removed outlier: 4.877A pdb=" N ALAAp 142 " --> pdb=" O ALAAp 138 " (cutoff:3.500A) removed outlier: 3.687A pdb=" N ASPAp 144 " --> pdb=" O ALAAp 140 " (cutoff:3.500A) removed outlier: 4.912A pdb=" N LEUAp 145 " --> pdb=" O GLUAp 141 " (cutoff:3.500A) removed outlier: 4.528A pdb=" N SERAp 147 " --> pdb=" O GLNAp 143 " (cutoff:3.500A) Processing helix chain 'Ap' and resid 148 through 153 removed outlier: 3.862A pdb=" N ALAAp 152 " --> pdb=" O GLYAp 148 " (cutoff:3.500A) removed outlier: 4.216A pdb=" N SERAp 153 " --> pdb=" O LEUAp 149 " (cutoff:3.500A) No H-bonds generated for 'chain 'Ap' and resid 148 through 153' Processing helix chain 'Ap' and resid 154 through 170 removed outlier: 3.940A pdb=" N TYRAp 160 " --> pdb=" O GLUAp 156 " (cutoff:3.500A) removed outlier: 5.057A pdb=" N GLUAp 162 " --> pdb=" O SERAp 158 " (cutoff:3.500A) removed outlier: 6.027A pdb=" N SERAp 163 " --> pdb=" O ALAAp 159 " (cutoff:3.500A) removed outlier: 3.944A pdb=" N PHEAp 164 " --> pdb=" O TYRAp 160 " (cutoff:3.500A) removed outlier: 5.270A pdb=" N ARGAp 165 " --> pdb=" O SERAp 161 " (cutoff:3.500A) removed outlier: 3.657A pdb=" N GLUAp 166 " --> pdb=" O GLUAp 162 " (cutoff:3.500A) removed outlier: 4.339A pdb=" N ASNAp 168 " --> pdb=" O PHEAp 164 " (cutoff:3.500A) removed outlier: 4.482A pdb=" N GLUAp 169 " --> pdb=" O ARGAp 165 " (cutoff:3.500A) removed outlier: 3.959A pdb=" N ASPAp 170 " --> pdb=" O GLUAp 166 " (cutoff:3.500A) Processing helix chain 'Ap' and resid 171 through 194 removed outlier: 3.777A pdb=" N PHEAp 176 " --> pdb=" O LYSAp 172 " (cutoff:3.500A) removed outlier: 4.543A pdb=" N LEUAp 178 " --> pdb=" O GLUAp 174 " (cutoff:3.500A) removed outlier: 3.561A pdb=" N SERAp 180 " --> pdb=" O PHEAp 176 " (cutoff:3.500A) removed outlier: 4.890A pdb=" N GLUAp 181 " --> pdb=" O ARGAp 177 " (cutoff:3.500A) removed outlier: 5.223A pdb=" N VALAp 183 " --> pdb=" O LEUAp 179 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N ALAAp 184 " --> pdb=" O SERAp 180 " (cutoff:3.500A) removed outlier: 4.087A pdb=" N THRAp 186 " --> pdb=" O GLNAp 182 " (cutoff:3.500A) removed outlier: 5.092A pdb=" N THRAp 187 " --> pdb=" O VALAp 183 " (cutoff:3.500A) removed outlier: 3.643A pdb=" N THRAp 188 " --> pdb=" O ALAAp 184 " (cutoff:3.500A) removed outlier: 3.589A pdb=" N HISAp 189 " --> pdb=" O ASPAp 185 " (cutoff:3.500A) removed outlier: 3.603A pdb=" N PHEAp 193 " --> pdb=" O HISAp 189 " (cutoff:3.500A) Processing helix chain 'Al' and resid 102 through 107 removed outlier: 4.098A pdb=" N VALAl 106 " --> pdb=" O GLUAl 102 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ILEAl 107 " --> pdb=" O ALAAl 103 " (cutoff:3.500A) No H-bonds generated for 'chain 'Al' and resid 102 through 107' Processing helix chain 'Al' and resid 109 through 117 removed outlier: 4.174A pdb=" N LEUAl 114 " --> pdb=" O TYRAl 110 " (cutoff:3.500A) removed outlier: 4.205A pdb=" N GLUAl 115 " --> pdb=" O ALAAl 111 " (cutoff:3.500A) removed outlier: 4.106A pdb=" N ASNAl 116 " --> pdb=" O LEUAl 112 " (cutoff:3.500A) removed outlier: 7.196A pdb=" N VALAl 117 " --> pdb=" O LEUAl 113 " (cutoff:3.500A) Processing helix chain 'Al' and resid 137 through 162 removed outlier: 4.000A pdb=" N LEUAl 142 " --> pdb=" O PROAl 138 " (cutoff:3.500A) removed outlier: 3.916A pdb=" N ARGAl 145 " --> pdb=" O GLUAl 141 " (cutoff:3.500A) removed outlier: 3.689A pdb=" N LYSAl 148 " --> pdb=" O ALAAl 144 " (cutoff:3.500A) removed outlier: 4.241A pdb=" N LEUAl 155 " --> pdb=" O SERAl 151 " (cutoff:3.500A) removed outlier: 5.061A pdb=" N ILEAl 156 " --> pdb=" O GLNAl 152 " (cutoff:3.500A) Proline residue: Al 157 - end of helix Processing helix chain 'Al' and resid 202 through 223 removed outlier: 3.677A pdb=" N ALAAl 207 " --> pdb=" O VALAl 203 " (cutoff:3.500A) removed outlier: 3.588A pdb=" N GLUAl 208 " --> pdb=" O LYSAl 204 " (cutoff:3.500A) removed outlier: 3.746A pdb=" N ILEAl 214 " --> pdb=" O VALAl 210 " (cutoff:3.500A) removed outlier: 3.737A pdb=" N ALAAl 217 " --> pdb=" O GLYAl 213 " (cutoff:3.500A) removed outlier: 4.374A pdb=" N ASNAl 219 " --> pdb=" O VALAl 215 " (cutoff:3.500A) removed outlier: 4.579A pdb=" N ILEAl 221 " --> pdb=" O ALAAl 217 " (cutoff:3.500A) removed outlier: 4.269A pdb=" N GLYAl 222 " --> pdb=" O CYSAl 218 " (cutoff:3.500A) removed outlier: 4.289A pdb=" N SERAl 223 " --> pdb=" O ASNAl 219 " (cutoff:3.500A) Processing helix chain 'Al' and resid 227 through 238 removed outlier: 4.188A pdb=" N METAl 232 " --> pdb=" O PROAl 228 " (cutoff:3.500A) removed outlier: 3.789A pdb=" N LEUAl 234 " --> pdb=" O GLUAl 230 " (cutoff:3.500A) removed outlier: 4.339A pdb=" N LEUAl 235 " --> pdb=" O VALAl 231 " (cutoff:3.500A) Processing helix chain 'Al' and resid 255 through 261 Processing helix chain 'Al' and resid 269 through 274 removed outlier: 3.568A pdb=" N VALAl 273 " --> pdb=" O GLUAl 269 " (cutoff:3.500A) removed outlier: 3.885A pdb=" N VALAl 274 " --> pdb=" O PROAl 270 " (cutoff:3.500A) No H-bonds generated for 'chain 'Al' and resid 269 through 274' Processing helix chain 'Al' and resid 279 through 289 removed outlier: 5.825A pdb=" N VALAl 284 " --> pdb=" O ARGAl 280 " (cutoff:3.500A) removed outlier: 4.289A pdb=" N LEUAl 285 " --> pdb=" O THRAl 281 " (cutoff:3.500A) removed outlier: 3.897A pdb=" N ASPAl 286 " --> pdb=" O GLNAl 282 " (cutoff:3.500A) Processing helix chain 'Al' and resid 297 through 308 removed outlier: 4.351A pdb=" N ARGAl 301 " --> pdb=" O HISAl 297 " (cutoff:3.500A) removed outlier: 3.622A pdb=" N ALAAl 308 " --> pdb=" O ILEAl 304 " (cutoff:3.500A) Processing helix chain 'Al' and resid 240 through 245 removed outlier: 4.240A pdb=" N GLNAl 243 " --> pdb=" O LEUAl 240 " (cutoff:3.500A) removed outlier: 4.194A pdb=" N TYRAl 244 " --> pdb=" O GLNAl 241 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N VALAl 245 " --> pdb=" O ASNAl 242 " (cutoff:3.500A) No H-bonds generated for 'chain 'Al' and resid 240 through 245' Processing helix chain 'Ab' and resid 23 through 32 removed outlier: 3.546A pdb=" N PHEAb 28 " --> pdb=" O ALAAb 24 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N ALAAb 30 " --> pdb=" O ARGAb 26 " (cutoff:3.500A) removed outlier: 3.664A pdb=" N THRAb 31 " --> pdb=" O GLNAb 27 " (cutoff:3.500A) Processing helix chain 'Ab' and resid 33 through 41 removed outlier: 3.537A pdb=" N GLNAb 39 " --> pdb=" O GLUAb 35 " (cutoff:3.500A) Proline residue: Ab 41 - end of helix Processing helix chain 'Ab' and resid 75 through 90 removed outlier: 3.758A pdb=" N ARGAb 82 " --> pdb=" O GLYAb 78 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N LEUAb 86 " --> pdb=" O ARGAb 82 " (cutoff:3.500A) removed outlier: 3.825A pdb=" N VALAb 87 " --> pdb=" O PHEAb 83 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ASNAb 88 " --> pdb=" O HISAb 84 " (cutoff:3.500A) removed outlier: 3.959A pdb=" N GLUAb 89 " --> pdb=" O ARGAb 85 " (cutoff:3.500A) removed outlier: 5.698A pdb=" N GLYAb 90 " --> pdb=" O LEUAb 86 " (cutoff:3.500A) Processing helix chain 'Ab' and resid 98 through 103 removed outlier: 3.534A pdb=" N LEUAb 102 " --> pdb=" O SERAb 98 " (cutoff:3.500A) removed outlier: 5.953A pdb=" N HISAb 103 " --> pdb=" O ALAAb 99 " (cutoff:3.500A) No H-bonds generated for 'chain 'Ab' and resid 98 through 103' Processing helix chain 'Ab' and resid 114 through 119 removed outlier: 4.761A pdb=" N TRPAb 118 " --> pdb=" O ASNAb 114 " (cutoff:3.500A) removed outlier: 3.943A pdb=" N ASNAb 119 " --> pdb=" O PROAb 115 " (cutoff:3.500A) No H-bonds generated for 'chain 'Ab' and resid 114 through 119' Processing helix chain 'Ab' and resid 138 through 165 removed outlier: 3.601A pdb=" N ASPAb 143 " --> pdb=" O GLUAb 139 " (cutoff:3.500A) removed outlier: 3.695A pdb=" N ALAAb 155 " --> pdb=" O ALAAb 151 " (cutoff:3.500A) removed outlier: 3.881A pdb=" N ALAAb 161 " --> pdb=" O GLUAb 157 " (cutoff:3.500A) removed outlier: 4.093A pdb=" N VALAb 164 " --> pdb=" O ILEAb 160 " (cutoff:3.500A) Processing helix chain 'Aa' and resid 91 through 96 removed outlier: 4.469A pdb=" N PHEAa 95 " --> pdb=" O LEUAa 91 " (cutoff:3.500A) removed outlier: 5.222A pdb=" N ARGAa 96 " --> pdb=" O SERAa 92 " (cutoff:3.500A) No H-bonds generated for 'chain 'Aa' and resid 91 through 96' Processing helix chain 'Aa' and resid 111 through 128 removed outlier: 4.176A pdb=" N ARGAa 117 " --> pdb=" O ALAAa 113 " (cutoff:3.500A) removed outlier: 3.541A pdb=" N GLNAa 120 " --> pdb=" O METAa 116 " (cutoff:3.500A) removed outlier: 5.420A pdb=" N GLYAa 127 " --> pdb=" O HISAa 123 " (cutoff:3.500A) removed outlier: 4.333A pdb=" N LYSAa 128 " --> pdb=" O THRAa 124 " (cutoff:3.500A) Processing helix chain 'Aa' and resid 133 through 149 removed outlier: 3.636A pdb=" N ARGAa 142 " --> pdb=" O TYRAa 138 " (cutoff:3.500A) removed outlier: 3.746A pdb=" N GLNAa 144 " --> pdb=" O ASNAa 140 " (cutoff:3.500A) removed outlier: 3.654A pdb=" N ALAAa 145 " --> pdb=" O SERAa 141 " (cutoff:3.500A) removed outlier: 4.992A pdb=" N ASPAa 149 " --> pdb=" O ALAAa 145 " (cutoff:3.500A) Processing helix chain 'Aa' and resid 158 through 170 removed outlier: 3.518A pdb=" N ALAAa 163 " --> pdb=" O GLNAa 159 " (cutoff:3.500A) removed outlier: 6.357A pdb=" N TRPAa 166 " --> pdb=" O LYSAa 162 " (cutoff:3.500A) removed outlier: 6.583A pdb=" N ASNAa 167 " --> pdb=" O ALAAa 163 " (cutoff:3.500A) removed outlier: 3.896A pdb=" N VALAa 168 " --> pdb=" O HISAa 164 " (cutoff:3.500A) removed outlier: 5.014A pdb=" N LYSAa 170 " --> pdb=" O TRPAa 166 " (cutoff:3.500A) Processing helix chain 'BP' and resid -4 through 5 removed outlier: 5.121A pdb=" N TRPBP 0 " --> pdb=" O THRBP -4 " (cutoff:3.500A) removed outlier: 4.394A pdb=" N METBP 1 " --> pdb=" O HISBP -3 " (cutoff:3.500A) removed outlier: 3.681A pdb=" N LEUBP 2 " --> pdb=" O ILEBP -2 " (cutoff:3.500A) removed outlier: 4.016A pdb=" N GLYBP 5 " --> pdb=" O METBP 1 " (cutoff:3.500A) Processing helix chain 'BP' and resid 14 through 19 removed outlier: 4.158A pdb=" N ILEBP 19 " --> pdb=" O PROBP 15 " (cutoff:3.500A) Processing helix chain 'BP' and resid 33 through 64 removed outlier: 4.402A pdb=" N LEUBP 39 " --> pdb=" O LYSBP 35 " (cutoff:3.500A) removed outlier: 3.653A pdb=" N LEUBP 47 " --> pdb=" O GLNBP 43 " (cutoff:3.500A) removed outlier: 4.301A pdb=" N LEUBP 50 " --> pdb=" O LEUBP 46 " (cutoff:3.500A) removed outlier: 3.543A pdb=" N SERBP 53 " --> pdb=" O GLNBP 49 " (cutoff:3.500A) Processing helix chain 'BP' and resid 72 through 80 removed outlier: 3.982A pdb=" N ARGBP 76 " --> pdb=" O THRBP 72 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N SERBP 77 " --> pdb=" O PROBP 73 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N TRPBP 78 " --> pdb=" O GLUBP 74 " (cutoff:3.500A) Proline residue: BP 80 - end of helix Processing helix chain 'Az' and resid 23 through 30 removed outlier: 3.589A pdb=" N LYSAz 27 " --> pdb=" O SERAz 23 " (cutoff:3.500A) removed outlier: 4.344A pdb=" N ARGAz 28 " --> pdb=" O HISAz 24 " (cutoff:3.500A) Processing helix chain 'Az' and resid 47 through 55 removed outlier: 4.698A pdb=" N LEUAz 51 " --> pdb=" O ASPAz 47 " (cutoff:3.500A) removed outlier: 4.915A pdb=" N VALAz 52 " --> pdb=" O PROAz 48 " (cutoff:3.500A) removed outlier: 5.377A pdb=" N HISAz 53 " --> pdb=" O ARGAz 49 " (cutoff:3.500A) removed outlier: 4.806A pdb=" N ALAAz 54 " --> pdb=" O LYSAz 50 " (cutoff:3.500A) removed outlier: 6.092A pdb=" N ASNAz 55 " --> pdb=" O LEUAz 51 " (cutoff:3.500A) No H-bonds generated for 'chain 'Az' and resid 47 through 55' Processing helix chain 'Az' and resid 68 through 76 removed outlier: 4.332A pdb=" N GLUAz 72 " --> pdb=" O ASPAz 68 " (cutoff:3.500A) removed outlier: 4.853A pdb=" N HISAz 73 " --> pdb=" O PROAz 69 " (cutoff:3.500A) removed outlier: 3.575A pdb=" N ASNAz 74 " --> pdb=" O HISAz 70 " (cutoff:3.500A) removed outlier: 3.703A pdb=" N ALAAz 75 " --> pdb=" O TRPAz 71 " (cutoff:3.500A) removed outlier: 6.307A pdb=" N HISAz 76 " --> pdb=" O GLUAz 72 " (cutoff:3.500A) No H-bonds generated for 'chain 'Az' and resid 68 through 76' Processing helix chain 'Az' and resid 89 through 98 removed outlier: 3.748A pdb=" N LYSAz 93 " --> pdb=" O PROAz 89 " (cutoff:3.500A) removed outlier: 4.796A pdb=" N ASPAz 94 " --> pdb=" O LYSAz 90 " (cutoff:3.500A) removed outlier: 6.566A pdb=" N ALAAz 95 " --> pdb=" O GLUAz 91 " (cutoff:3.500A) removed outlier: 4.929A pdb=" N TYRAz 96 " --> pdb=" O TYRAz 92 " (cutoff:3.500A) removed outlier: 4.014A pdb=" N TRPAz 97 " --> pdb=" O LYSAz 93 " (cutoff:3.500A) removed outlier: 5.909A pdb=" N TRPAz 98 " --> pdb=" O ASPAz 94 " (cutoff:3.500A) No H-bonds generated for 'chain 'Az' and resid 89 through 98' Processing helix chain 'Az' and resid 99 through 106 removed outlier: 3.566A pdb=" N ARGAz 105 " --> pdb=" O LEUAz 101 " (cutoff:3.500A) removed outlier: 5.988A pdb=" N VALAz 106 " --> pdb=" O GLNAz 102 " (cutoff:3.500A) Processing helix chain 'Az' and resid 109 through 114 removed outlier: 3.796A pdb=" N VALAz 113 " --> pdb=" O PROAz 109 " (cutoff:3.500A) Processing helix chain 'Az' and resid 120 through 126 removed outlier: 4.879A pdb=" N LYSAz 124 " --> pdb=" O LYSAz 120 " (cutoff:3.500A) removed outlier: 3.578A pdb=" N TYRAz 125 " --> pdb=" O ASPAz 121 " (cutoff:3.500A) removed outlier: 5.802A pdb=" N ASPAz 126 " --> pdb=" O LYSAz 122 " (cutoff:3.500A) No H-bonds generated for 'chain 'Az' and resid 120 through 126' Processing helix chain 'Az' and resid 139 through 151 removed outlier: 3.539A pdb=" N VALAz 144 " --> pdb=" O TYRAz 140 " (cutoff:3.500A) removed outlier: 4.574A pdb=" N METAz 150 " --> pdb=" O ASNAz 146 " (cutoff:3.500A) removed outlier: 3.680A pdb=" N CYSAz 151 " --> pdb=" O ALAAz 147 " (cutoff:3.500A) Processing helix chain 'Am' and resid 53 through 65 removed outlier: 3.719A pdb=" N GLNAm 57 " --> pdb=" O PROAm 53 " (cutoff:3.500A) removed outlier: 4.203A pdb=" N GLUAm 58 " --> pdb=" O ASNAm 54 " (cutoff:3.500A) removed outlier: 4.640A pdb=" N ARGAm 59 " --> pdb=" O ASNAm 55 " (cutoff:3.500A) removed outlier: 3.534A pdb=" N PHEAm 61 " --> pdb=" O GLNAm 57 " (cutoff:3.500A) removed outlier: 3.648A pdb=" N ASNAm 62 " --> pdb=" O GLUAm 58 " (cutoff:3.500A) removed outlier: 3.681A pdb=" N GLYAm 65 " --> pdb=" O PHEAm 61 " (cutoff:3.500A) Processing helix chain 'Am' and resid 85 through 97 removed outlier: 6.099A pdb=" N TRPAm 90 " --> pdb=" O PROAm 86 " (cutoff:3.500A) removed outlier: 3.793A pdb=" N ARGAm 91 " --> pdb=" O GLUAm 87 " (cutoff:3.500A) removed outlier: 3.978A pdb=" N LEUAm 92 " --> pdb=" O ALAAm 88 " (cutoff:3.500A) Processing helix chain 'Am' and resid 103 through 121 removed outlier: 4.221A pdb=" N CYSAm 107 " --> pdb=" O GLYAm 103 " (cutoff:3.500A) removed outlier: 3.852A pdb=" N GLUAm 108 " --> pdb=" O LYSAm 104 " (cutoff:3.500A) Proline residue: Am 116 - end of helix removed outlier: 4.096A pdb=" N LYSAm 120 " --> pdb=" O PROAm 116 " (cutoff:3.500A) Processing helix chain 'Am' and resid 123 through 140 removed outlier: 5.855A pdb=" N GLUAm 127 " --> pdb=" O LYSAm 123 " (cutoff:3.500A) removed outlier: 4.929A pdb=" N ARGAm 128 " --> pdb=" O GLUAm 124 " (cutoff:3.500A) removed outlier: 3.860A pdb=" N LYSAm 138 " --> pdb=" O ARGAm 134 " (cutoff:3.500A) removed outlier: 3.560A pdb=" N ARGAm 139 " --> pdb=" O HISAm 135 " (cutoff:3.500A) Processing helix chain 'Am' and resid 143 through 158 removed outlier: 3.944A pdb=" N LYSAm 158 " --> pdb=" O ALAAm 154 " (cutoff:3.500A) Processing helix chain 'Am' and resid 159 through 174 removed outlier: 3.539A pdb=" N GLUAm 169 " --> pdb=" O GLNAm 165 " (cutoff:3.500A) removed outlier: 3.530A pdb=" N LEUAm 173 " --> pdb=" O GLUAm 169 " (cutoff:3.500A) removed outlier: 3.742A pdb=" N GLYAm 174 " --> pdb=" O METAm 170 " (cutoff:3.500A) Processing helix chain 'Am' and resid 178 through 193 removed outlier: 3.542A pdb=" N METAm 185 " --> pdb=" O SERAm 181 " (cutoff:3.500A) removed outlier: 4.560A pdb=" N GLYAm 193 " --> pdb=" O ALAAm 189 " (cutoff:3.500A) Processing helix chain 'Am' and resid 195 through 210 removed outlier: 4.649A pdb=" N SERAm 199 " --> pdb=" O PROAm 195 " (cutoff:3.500A) removed outlier: 5.936A pdb=" N GLUAm 200 " --> pdb=" O PROAm 196 " (cutoff:3.500A) removed outlier: 3.614A pdb=" N ALAAm 201 " --> pdb=" O GLUAm 197 " (cutoff:3.500A) removed outlier: 4.526A pdb=" N TYRAm 202 " --> pdb=" O LYSAm 198 " (cutoff:3.500A) removed outlier: 3.567A pdb=" N PHEAm 203 " --> pdb=" O SERAm 199 " (cutoff:3.500A) Processing helix chain 'Am' and resid 217 through 233 removed outlier: 3.818A pdb=" N ARGAm 223 " --> pdb=" O ASPAm 219 " (cutoff:3.500A) removed outlier: 3.531A pdb=" N TRPAm 225 " --> pdb=" O GLUAm 221 " (cutoff:3.500A) removed outlier: 4.324A pdb=" N GLYAm 233 " --> pdb=" O LEUAm 229 " (cutoff:3.500A) Processing helix chain 'Am' and resid 271 through 285 removed outlier: 4.199A pdb=" N METAm 277 " --> pdb=" O ARGAm 273 " (cutoff:3.500A) removed outlier: 3.910A pdb=" N GLNAm 278 " --> pdb=" O ASPAm 274 " (cutoff:3.500A) removed outlier: 3.807A pdb=" N GLNAm 279 " --> pdb=" O LEUAm 275 " (cutoff:3.500A) removed outlier: 3.890A pdb=" N ALAAm 282 " --> pdb=" O GLNAm 278 " (cutoff:3.500A) removed outlier: 3.667A pdb=" N ARGAm 283 " --> pdb=" O GLNAm 279 " (cutoff:3.500A) Processing helix chain 'Am' and resid 286 through 292 removed outlier: 6.866A pdb=" N LEUAm 290 " --> pdb=" O SERAm 286 " (cutoff:3.500A) removed outlier: 4.252A pdb=" N VALAm 291 " --> pdb=" O GLYAm 287 " (cutoff:3.500A) removed outlier: 5.358A pdb=" N GLYAm 292 " --> pdb=" O LYSAm 288 " (cutoff:3.500A) No H-bonds generated for 'chain 'Am' and resid 286 through 292' Processing helix chain 'Am' and resid 293 through 301 removed outlier: 5.748A pdb=" N THRAm 298 " --> pdb=" O VALAm 294 " (cutoff:3.500A) removed outlier: 4.882A pdb=" N ARGAm 299 " --> pdb=" O TYRAm 295 " (cutoff:3.500A) removed outlier: 3.929A pdb=" N ARGAm 300 " --> pdb=" O THRAm 296 " (cutoff:3.500A) removed outlier: 4.772A pdb=" N GLNAm 301 " --> pdb=" O LYSAm 297 " (cutoff:3.500A) Processing helix chain 'Am' and resid 310 through 316 removed outlier: 4.147A pdb=" N TYRAm 314 " --> pdb=" O LEUAm 310 " (cutoff:3.500A) removed outlier: 3.623A pdb=" N ASNAm 315 " --> pdb=" O ARGAm 311 " (cutoff:3.500A) Processing helix chain 'As' and resid 53 through 68 removed outlier: 4.073A pdb=" N ARGAs 57 " --> pdb=" O THRAs 53 " (cutoff:3.500A) removed outlier: 4.604A pdb=" N ARGAs 58 " --> pdb=" O ASNAs 54 " (cutoff:3.500A) removed outlier: 3.682A pdb=" N TRPAs 59 " --> pdb=" O GLUAs 55 " (cutoff:3.500A) removed outlier: 3.586A pdb=" N HISAs 63 " --> pdb=" O TRPAs 59 " (cutoff:3.500A) removed outlier: 4.205A pdb=" N LEUAs 64 " --> pdb=" O TRPAs 60 " (cutoff:3.500A) removed outlier: 4.985A pdb=" N GLUAs 65 " --> pdb=" O LEUAs 61 " (cutoff:3.500A) removed outlier: 5.391A pdb=" N CYSAs 66 " --> pdb=" O VALAs 62 " (cutoff:3.500A) removed outlier: 4.260A pdb=" N ALAAs 67 " --> pdb=" O HISAs 63 " (cutoff:3.500A) Proline residue: As 68 - end of helix Processing helix chain 'As' and resid 83 through 94 removed outlier: 3.657A pdb=" N THRAs 87 " --> pdb=" O GLYAs 83 " (cutoff:3.500A) removed outlier: 4.154A pdb=" N ARGAs 93 " --> pdb=" O LYSAs 89 " (cutoff:3.500A) Processing helix chain 'As' and resid 97 through 104 removed outlier: 3.727A pdb=" N GLUAs 103 " --> pdb=" O GLUAs 99 " (cutoff:3.500A) removed outlier: 3.778A pdb=" N LEUAs 104 " --> pdb=" O GLNAs 100 " (cutoff:3.500A) Processing helix chain 'As' and resid 105 through 115 removed outlier: 6.351A pdb=" N VALAs 109 " --> pdb=" O ASPAs 105 " (cutoff:3.500A) removed outlier: 3.783A pdb=" N ASPAs 110 " --> pdb=" O SERAs 106 " (cutoff:3.500A) Processing helix chain 'As' and resid 120 through 141 removed outlier: 3.893A pdb=" N HISAs 127 " --> pdb=" O VALAs 123 " (cutoff:3.500A) removed outlier: 5.957A pdb=" N THRAs 133 " --> pdb=" O ARGAs 129 " (cutoff:3.500A) Proline residue: As 134 - end of helix removed outlier: 3.979A pdb=" N ARGAs 138 " --> pdb=" O PROAs 134 " (cutoff:3.500A) removed outlier: 3.759A pdb=" N VALAs 140 " --> pdb=" O LYSAs 136 " (cutoff:3.500A) removed outlier: 3.624A pdb=" N SERAs 141 " --> pdb=" O GLNAs 137 " (cutoff:3.500A) Processing helix chain 'As' and resid 143 through 188 removed outlier: 6.184A pdb=" N GLNAs 147 " --> pdb=" O GLYAs 143 " (cutoff:3.500A) removed outlier: 4.274A pdb=" N LEUAs 148 " --> pdb=" O VALAs 144 " (cutoff:3.500A) removed outlier: 7.106A pdb=" N GLNAs 149 " --> pdb=" O GLUAs 145 " (cutoff:3.500A) removed outlier: 8.473A pdb=" N SERAs 150 " --> pdb=" O SERAs 146 " (cutoff:3.500A) removed outlier: 7.929A pdb=" N ARGAs 151 " --> pdb=" O GLNAs 147 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N LEUAs 153 " --> pdb=" O GLNAs 149 " (cutoff:3.500A) removed outlier: 3.957A pdb=" N GLUAs 154 " --> pdb=" O SERAs 150 " (cutoff:3.500A) removed outlier: 3.617A pdb=" N LYSAs 158 " --> pdb=" O GLUAs 154 " (cutoff:3.500A) removed outlier: 3.599A pdb=" N GLUAs 160 " --> pdb=" O ARGAs 156 " (cutoff:3.500A) removed outlier: 3.700A pdb=" N LEUAs 161 " --> pdb=" O LYSAs 157 " (cutoff:3.500A) removed outlier: 3.805A pdb=" N ARGAs 165 " --> pdb=" O LEUAs 161 " (cutoff:3.500A) removed outlier: 3.885A pdb=" N GLUAs 166 " --> pdb=" O GLUAs 162 " (cutoff:3.500A) removed outlier: 4.208A pdb=" N LEUAs 167 " --> pdb=" O ARGAs 163 " (cutoff:3.500A) removed outlier: 3.529A pdb=" N LEUAs 168 " --> pdb=" O GLNAs 164 " (cutoff:3.500A) removed outlier: 3.685A pdb=" N GLUAs 171 " --> pdb=" O LEUAs 167 " (cutoff:3.500A) removed outlier: 4.543A pdb=" N THRAs 174 " --> pdb=" O ARGAs 170 " (cutoff:3.500A) removed outlier: 4.158A pdb=" N ARGAs 184 " --> pdb=" O GLUAs 180 " (cutoff:3.500A) removed outlier: 4.030A pdb=" N LEUAs 186 " --> pdb=" O THRAs 182 " (cutoff:3.500A) removed outlier: 4.195A pdb=" N ARGAs 187 " --> pdb=" O LEUAs 183 " (cutoff:3.500A) removed outlier: 3.865A pdb=" N GLUAs 188 " --> pdb=" O ARGAs 184 " (cutoff:3.500A) Processing helix chain 'BG' and resid 1276 through 1281 removed outlier: 4.534A pdb=" N LEUBG1280 " --> pdb=" O PHEBG1276 " (cutoff:3.500A) removed outlier: 4.360A pdb=" N LEUBG1281 " --> pdb=" O THRBG1277 " (cutoff:3.500A) No H-bonds generated for 'chain 'BG' and resid 1276 through 1281' Processing helix chain 'BG' and resid 1319 through 1329 removed outlier: 3.792A pdb=" N LEUBG1323 " --> pdb=" O SERBG1319 " (cutoff:3.500A) removed outlier: 3.629A pdb=" N GLNBG1328 " --> pdb=" O TYRBG1324 " (cutoff:3.500A) Processing helix chain 'BG' and resid 1332 through 1337 Proline residue: BG1337 - end of helix Processing helix chain 'BG' and resid 1312 through 1317 Proline residue: BG1316 - end of helix Processing helix chain 'Ad' and resid 61 through 71 Processing helix chain 'Ad' and resid 79 through 84 removed outlier: 4.244A pdb=" N GLNAd 84 " --> pdb=" O PHEAd 80 " (cutoff:3.500A) Processing helix chain 'Ad' and resid 191 through 203 removed outlier: 3.899A pdb=" N GLUAd 198 " --> pdb=" O ARGAd 194 " (cutoff:3.500A) Processing helix chain 'Ad' and resid 221 through 236 removed outlier: 3.541A pdb=" N ARGAd 225 " --> pdb=" O ASNAd 221 " (cutoff:3.500A) removed outlier: 3.629A pdb=" N ALAAd 226 " --> pdb=" O LEUAd 222 " (cutoff:3.500A) removed outlier: 3.615A pdb=" N TRPAd 231 " --> pdb=" O VALAd 227 " (cutoff:3.500A) removed outlier: 4.200A pdb=" N GLYAd 236 " --> pdb=" O LEUAd 232 " (cutoff:3.500A) Processing helix chain 'Ad' and resid 27 through 34 removed outlier: 5.197A pdb=" N LEUAd 30 " --> pdb=" O THRAd 27 " (cutoff:3.500A) removed outlier: 4.285A pdb=" N ARGAd 31 " --> pdb=" O PROAd 28 " (cutoff:3.500A) removed outlier: 5.550A pdb=" N HISAd 32 " --> pdb=" O GLUAd 29 " (cutoff:3.500A) removed outlier: 3.899A pdb=" N ALAAd 34 " --> pdb=" O ARGAd 31 " (cutoff:3.500A) Processing helix chain 'Aw' and resid 29 through 52 removed outlier: 3.914A pdb=" N ILEAw 34 " --> pdb=" O ALAAw 30 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N ARGAw 41 " --> pdb=" O HISAw 37 " (cutoff:3.500A) removed outlier: 3.519A pdb=" N VALAw 43 " --> pdb=" O ALAAw 39 " (cutoff:3.500A) removed outlier: 3.677A pdb=" N LEUAw 48 " --> pdb=" O THRAw 44 " (cutoff:3.500A) removed outlier: 3.508A pdb=" N LYSAw 52 " --> pdb=" O LEUAw 48 " (cutoff:3.500A) Processing helix chain 'Aw' and resid 58 through 63 removed outlier: 3.548A pdb=" N SERAw 62 " --> pdb=" O PHEAw 58 " (cutoff:3.500A) removed outlier: 5.067A pdb=" N LEUAw 63 " --> pdb=" O PROAw 59 " (cutoff:3.500A) No H-bonds generated for 'chain 'Aw' and resid 58 through 63' Processing helix chain 'Aw' and resid 71 through 113 removed outlier: 3.910A pdb=" N LEUAw 83 " --> pdb=" O HISAw 79 " (cutoff:3.500A) removed outlier: 4.953A pdb=" N THRAw 84 " --> pdb=" O THRAw 80 " (cutoff:3.500A) removed outlier: 3.729A pdb=" N GLUAw 85 " --> pdb=" O ARGAw 81 " (cutoff:3.500A) removed outlier: 4.996A pdb=" N SERAw 86 " --> pdb=" O GLUAw 82 " (cutoff:3.500A) removed outlier: 3.585A pdb=" N ARGAw 88 " --> pdb=" O THRAw 84 " (cutoff:3.500A) removed outlier: 3.570A pdb=" N HISAw 89 " --> pdb=" O GLUAw 85 " (cutoff:3.500A) removed outlier: 3.769A pdb=" N ARGAw 90 " --> pdb=" O SERAw 86 " (cutoff:3.500A) removed outlier: 4.022A pdb=" N GLNAw 100 " --> pdb=" O ARGAw 96 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N THRAw 102 " --> pdb=" O GLNAw 98 " (cutoff:3.500A) removed outlier: 4.062A pdb=" N ILEAw 103 " --> pdb=" O GLNAw 99 " (cutoff:3.500A) removed outlier: 3.770A pdb=" N ALAAw 106 " --> pdb=" O THRAw 102 " (cutoff:3.500A) removed outlier: 4.161A pdb=" N LYSAw 113 " --> pdb=" O GLUAw 109 " (cutoff:3.500A) Processing helix chain 'Aw' and resid 116 through 124 removed outlier: 3.809A pdb=" N GLUAw 121 " --> pdb=" O PROAw 117 " (cutoff:3.500A) removed outlier: 3.977A pdb=" N ASPAw 122 " --> pdb=" O ALAAw 118 " (cutoff:3.500A) Processing helix chain 'Aw' and resid 130 through 136 removed outlier: 4.253A pdb=" N TYRAw 134 " --> pdb=" O ASPAw 130 " (cutoff:3.500A) Processing helix chain 'Aw' and resid 148 through 153 removed outlier: 3.798A pdb=" N HISAw 152 " --> pdb=" O ASNAw 148 " (cutoff:3.500A) Proline residue: Aw 153 - end of helix No H-bonds generated for 'chain 'Aw' and resid 148 through 153' Processing helix chain 'Aw' and resid 155 through 160 removed outlier: 4.375A pdb=" N VALAw 159 " --> pdb=" O GLUAw 155 " (cutoff:3.500A) Proline residue: Aw 160 - end of helix No H-bonds generated for 'chain 'Aw' and resid 155 through 160' Processing helix chain 'Aw' and resid 10 through 16 removed outlier: 3.977A pdb=" N VALAw 15 " --> pdb=" O HISAw 12 " (cutoff:3.500A) removed outlier: 4.771A pdb=" N ALAAw 16 " --> pdb=" O SERAw 13 " (cutoff:3.500A) Processing helix chain 'BH' and resid 52 through 65 removed outlier: 3.555A pdb=" N SERBH 56 " --> pdb=" O VALBH 52 " (cutoff:3.500A) Processing helix chain 'BH' and resid 165 through 176 removed outlier: 3.583A pdb=" N VALBH 169 " --> pdb=" O GLYBH 165 " (cutoff:3.500A) removed outlier: 3.841A pdb=" N LYSBH 174 " --> pdb=" O ASNBH 170 " (cutoff:3.500A) Processing helix chain 'Aj' and resid 136 through 144 removed outlier: 3.544A pdb=" N LYSAj 142 " --> pdb=" O ALAAj 138 " (cutoff:3.500A) removed outlier: 3.668A pdb=" N GLNAj 144 " --> pdb=" O ALAAj 140 " (cutoff:3.500A) Processing helix chain 'Aj' and resid 200 through 218 removed outlier: 3.740A pdb=" N LYSAj 206 " --> pdb=" O GLYAj 202 " (cutoff:3.500A) removed outlier: 3.628A pdb=" N GLNAj 210 " --> pdb=" O LYSAj 206 " (cutoff:3.500A) removed outlier: 4.210A pdb=" N GLYAj 211 " --> pdb=" O LEUAj 207 " (cutoff:3.500A) removed outlier: 3.532A pdb=" N GLUAj 216 " --> pdb=" O ASPAj 212 " (cutoff:3.500A) removed outlier: 3.538A pdb=" N GLYAj 217 " --> pdb=" O TYRAj 213 " (cutoff:3.500A) Processing helix chain 'Aj' and resid 219 through 238 removed outlier: 3.673A pdb=" N GLUAj 235 " --> pdb=" O ALAAj 231 " (cutoff:3.500A) removed outlier: 3.548A pdb=" N LEUAj 236 " --> pdb=" O LYSAj 232 " (cutoff:3.500A) Processing helix chain 'Aj' and resid 242 through 260 removed outlier: 3.720A pdb=" N GLYAj 247 " --> pdb=" O PROAj 243 " (cutoff:3.500A) removed outlier: 4.206A pdb=" N ARGAj 249 " --> pdb=" O VALAj 245 " (cutoff:3.500A) removed outlier: 3.921A pdb=" N LEUAj 250 " --> pdb=" O ALAAj 246 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N LYSAj 251 " --> pdb=" O GLYAj 247 " (cutoff:3.500A) removed outlier: 3.917A pdb=" N GLYAj 254 " --> pdb=" O LEUAj 250 " (cutoff:3.500A) removed outlier: 3.654A pdb=" N THRAj 259 " --> pdb=" O ALAAj 255 " (cutoff:3.500A) removed outlier: 3.569A pdb=" N GLYAj 260 " --> pdb=" O PHEAj 256 " (cutoff:3.500A) Processing helix chain 'Aj' and resid 261 through 279 removed outlier: 3.873A pdb=" N ALAAj 271 " --> pdb=" O ALAAj 267 " (cutoff:3.500A) removed outlier: 4.595A pdb=" N LEUAj 273 " --> pdb=" O CYSAj 269 " (cutoff:3.500A) removed outlier: 4.131A pdb=" N GLNAj 274 " --> pdb=" O GLUAj 270 " (cutoff:3.500A) removed outlier: 3.746A pdb=" N METAj 275 " --> pdb=" O ALAAj 271 " (cutoff:3.500A) removed outlier: 3.733A pdb=" N SERAj 278 " --> pdb=" O GLNAj 274 " (cutoff:3.500A) removed outlier: 3.869A pdb=" N ALAAj 279 " --> pdb=" O METAj 275 " (cutoff:3.500A) Processing helix chain 'Aj' and resid 283 through 302 removed outlier: 3.579A pdb=" N GLUAj 289 " --> pdb=" O GLUAj 285 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N PHEAj 292 " --> pdb=" O VALAj 288 " (cutoff:3.500A) removed outlier: 3.584A pdb=" N GLYAj 295 " --> pdb=" O LEUAj 291 " (cutoff:3.500A) removed outlier: 3.798A pdb=" N SERAj 298 " --> pdb=" O LEUAj 294 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N GLUAj 299 " --> pdb=" O GLYAj 295 " (cutoff:3.500A) Processing helix chain 'Aj' and resid 303 through 320 removed outlier: 3.612A pdb=" N GLYAj 307 " --> pdb=" O ASPAj 303 " (cutoff:3.500A) removed outlier: 4.436A pdb=" N THRAj 308 " --> pdb=" O ALAAj 304 " (cutoff:3.500A) removed outlier: 6.162A pdb=" N VALAj 309 " --> pdb=" O ALAAj 305 " (cutoff:3.500A) removed outlier: 6.536A pdb=" N PHEAj 310 " --> pdb=" O ALAAj 306 " (cutoff:3.500A) removed outlier: 5.158A pdb=" N GLUAj 311 " --> pdb=" O GLYAj 307 " (cutoff:3.500A) removed outlier: 4.375A pdb=" N GLUAj 312 " --> pdb=" O THRAj 308 " (cutoff:3.500A) removed outlier: 3.770A pdb=" N LEUAj 316 " --> pdb=" O GLUAj 312 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N VALAj 317 " --> pdb=" O ALAAj 313 " (cutoff:3.500A) Processing helix chain 'Aj' and resid 323 through 337 removed outlier: 5.290A pdb=" N HISAj 327 " --> pdb=" O SERAj 323 " (cutoff:3.500A) removed outlier: 5.583A pdb=" N METAj 329 " --> pdb=" O GLNAj 325 " (cutoff:3.500A) removed outlier: 5.748A pdb=" N LEUAj 330 " --> pdb=" O SERAj 326 " (cutoff:3.500A) removed outlier: 3.689A pdb=" N ARGAj 331 " --> pdb=" O HISAj 327 " (cutoff:3.500A) removed outlier: 4.837A pdb=" N LEUAj 332 " --> pdb=" O LYSAj 328 " (cutoff:3.500A) removed outlier: 4.186A pdb=" N LEUAj 333 " --> pdb=" O METAj 329 " (cutoff:3.500A) Proline residue: Aj 334 - end of helix removed outlier: 4.192A pdb=" N GLYAj 337 " --> pdb=" O LEUAj 333 " (cutoff:3.500A) Processing helix chain 'Aj' and resid 344 through 349 removed outlier: 4.413A pdb=" N PHEAj 348 " --> pdb=" O PHEAj 344 " (cutoff:3.500A) removed outlier: 4.315A pdb=" N VALAj 349 " --> pdb=" O GLUAj 345 " (cutoff:3.500A) No H-bonds generated for 'chain 'Aj' and resid 344 through 349' Processing helix chain 'Aj' and resid 352 through 357 Processing helix chain 'Aj' and resid 358 through 378 removed outlier: 4.292A pdb=" N GLUAj 371 " --> pdb=" O LEUAj 367 " (cutoff:3.500A) removed outlier: 3.562A pdb=" N PHEAj 373 " --> pdb=" O ARGAj 369 " (cutoff:3.500A) Processing helix chain 'Aj' and resid 379 through 402 removed outlier: 4.009A pdb=" N VALAj 383 " --> pdb=" O ASPAj 379 " (cutoff:3.500A) removed outlier: 4.189A pdb=" N GLNAj 389 " --> pdb=" O ARGAj 385 " (cutoff:3.500A) removed outlier: 3.631A pdb=" N LYSAj 396 " --> pdb=" O GLUAj 392 " (cutoff:3.500A) removed outlier: 3.894A pdb=" N LYSAj 397 " --> pdb=" O LEUAj 393 " (cutoff:3.500A) removed outlier: 4.271A pdb=" N ASNAj 400 " --> pdb=" O LYSAj 396 " (cutoff:3.500A) removed outlier: 3.682A pdb=" N METAj 401 " --> pdb=" O LYSAj 397 " (cutoff:3.500A) Processing helix chain 'Aj' and resid 417 through 422 removed outlier: 4.132A pdb=" N LEUAj 422 " --> pdb=" O ARGAj 418 " (cutoff:3.500A) Processing helix chain 'Aj' and resid 427 through 435 removed outlier: 3.831A pdb=" N LEUAj 432 " --> pdb=" O PROAj 428 " (cutoff:3.500A) removed outlier: 4.011A pdb=" N ARGAj 433 " --> pdb=" O ASPAj 429 " (cutoff:3.500A) removed outlier: 3.886A pdb=" N SERAj 435 " --> pdb=" O LEUAj 431 " (cutoff:3.500A) Processing helix chain 'Aj' and resid 444 through 449 removed outlier: 3.911A pdb=" N GLUAj 448 " --> pdb=" O ASPAj 444 " (cutoff:3.500A) removed outlier: 5.064A pdb=" N LEUAj 449 " --> pdb=" O PHEAj 445 " (cutoff:3.500A) No H-bonds generated for 'chain 'Aj' and resid 444 through 449' Processing helix chain 'Aj' and resid 478 through 498 removed outlier: 3.891A pdb=" N METAj 484 " --> pdb=" O ARGAj 480 " (cutoff:3.500A) removed outlier: 5.227A pdb=" N PHEAj 485 " --> pdb=" O SERAj 481 " (cutoff:3.500A) removed outlier: 4.332A pdb=" N ARGAj 486 " --> pdb=" O GLNAj 482 " (cutoff:3.500A) removed outlier: 5.796A pdb=" N ASPAj 487 " --> pdb=" O ARGAj 483 " (cutoff:3.500A) removed outlier: 6.735A pdb=" N ALAAj 488 " --> pdb=" O METAj 484 " (cutoff:3.500A) removed outlier: 4.473A pdb=" N GLUAj 489 " --> pdb=" O PHEAj 485 " (cutoff:3.500A) removed outlier: 4.746A pdb=" N LYSAj 490 " --> pdb=" O ARGAj 486 " (cutoff:3.500A) removed outlier: 3.604A pdb=" N PHEAj 492 " --> pdb=" O ALAAj 488 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N GLUAj 493 " --> pdb=" O GLUAj 489 " (cutoff:3.500A) removed outlier: 4.224A pdb=" N LYSAj 494 " --> pdb=" O LYSAj 490 " (cutoff:3.500A) removed outlier: 3.978A pdb=" N TYRAj 495 " --> pdb=" O ASNAj 491 " (cutoff:3.500A) removed outlier: 3.738A pdb=" N ILEAj 496 " --> pdb=" O PHEAj 492 " (cutoff:3.500A) removed outlier: 3.506A pdb=" N ARGAj 497 " --> pdb=" O GLUAj 493 " (cutoff:3.500A) removed outlier: 5.572A pdb=" N ALAAj 498 " --> pdb=" O LYSAj 494 " (cutoff:3.500A) Processing helix chain 'Aj' and resid 472 through 477 removed outlier: 3.619A pdb=" N ARGAj 476 " --> pdb=" O PROAj 473 " (cutoff:3.500A) Processing helix chain 'Ar' and resid 48 through 54 removed outlier: 3.788A pdb=" N SERAr 52 " --> pdb=" O GLNAr 48 " (cutoff:3.500A) removed outlier: 4.430A pdb=" N GLUAr 53 " --> pdb=" O LYSAr 49 " (cutoff:3.500A) Processing helix chain 'Ar' and resid 60 through 66 removed outlier: 4.471A pdb=" N GLNAr 65 " --> pdb=" O ALAAr 61 " (cutoff:3.500A) removed outlier: 3.773A pdb=" N GLYAr 66 " --> pdb=" O GLUAr 62 " (cutoff:3.500A) Processing helix chain 'Ar' and resid 84 through 107 removed outlier: 3.538A pdb=" N LEUAr 88 " --> pdb=" O ASNAr 84 " (cutoff:3.500A) removed outlier: 3.585A pdb=" N ALAAr 92 " --> pdb=" O LEUAr 88 " (cutoff:3.500A) removed outlier: 3.611A pdb=" N ARGAr 93 " --> pdb=" O ASPAr 89 " (cutoff:3.500A) removed outlier: 3.690A pdb=" N TRPAr 97 " --> pdb=" O ARGAr 93 " (cutoff:3.500A) removed outlier: 3.568A pdb=" N LEUAr 98 " --> pdb=" O LYSAr 94 " (cutoff:3.500A) Processing helix chain 'Ar' and resid 127 through 139 removed outlier: 3.844A pdb=" N ILEAr 131 " --> pdb=" O ARGAr 127 " (cutoff:3.500A) removed outlier: 4.066A pdb=" N TRPAr 136 " --> pdb=" O ALAAr 132 " (cutoff:3.500A) Processing helix chain 'Ar' and resid 173 through 178 removed outlier: 4.883A pdb=" N LEUAr 177 " --> pdb=" O GLYAr 173 " (cutoff:3.500A) removed outlier: 3.531A pdb=" N ALAAr 178 " --> pdb=" O ALAAr 174 " (cutoff:3.500A) No H-bonds generated for 'chain 'Ar' and resid 173 through 178' Processing helix chain 'Ar' and resid 144 through 149 removed outlier: 4.996A pdb=" N GLUAr 149 " --> pdb=" O ARGAr 146 " (cutoff:3.500A) Processing helix chain 'An' and resid 106 through 111 removed outlier: 6.353A pdb=" N ALAAn 110 " --> pdb=" O ASPAn 106 " (cutoff:3.500A) Processing helix chain 'An' and resid 117 through 141 removed outlier: 4.243A pdb=" N GLNAn 122 " --> pdb=" O ASPAn 118 " (cutoff:3.500A) removed outlier: 3.604A pdb=" N TYRAn 124 " --> pdb=" O GLUAn 120 " (cutoff:3.500A) removed outlier: 3.688A pdb=" N LEUAn 125 " --> pdb=" O ILEAn 121 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N THRAn 130 " --> pdb=" O LEUAn 126 " (cutoff:3.500A) removed outlier: 3.792A pdb=" N ILEAn 133 " --> pdb=" O LEUAn 129 " (cutoff:3.500A) removed outlier: 4.801A pdb=" N PHEAn 134 " --> pdb=" O THRAn 130 " (cutoff:3.500A) removed outlier: 5.462A pdb=" N ALAAn 135 " --> pdb=" O GLUAn 131 " (cutoff:3.500A) removed outlier: 4.901A pdb=" N GLUAn 136 " --> pdb=" O VALAn 132 " (cutoff:3.500A) removed outlier: 5.098A pdb=" N THRAn 137 " --> pdb=" O ILEAn 133 " (cutoff:3.500A) removed outlier: 6.005A pdb=" N GLNAn 138 " --> pdb=" O PHEAn 134 " (cutoff:3.500A) removed outlier: 5.006A pdb=" N ARGAn 139 " --> pdb=" O ALAAn 135 " (cutoff:3.500A) removed outlier: 4.909A pdb=" N ASPAn 140 " --> pdb=" O GLUAn 136 " (cutoff:3.500A) Processing helix chain 'An' and resid 159 through 166 removed outlier: 3.654A pdb=" N ILEAn 163 " --> pdb=" O GLUAn 159 " (cutoff:3.500A) Processing helix chain 'An' and resid 170 through 181 removed outlier: 4.649A pdb=" N ARGAn 180 " --> pdb=" O ARGAn 176 " (cutoff:3.500A) removed outlier: 4.264A pdb=" N VALAn 181 " --> pdb=" O VALAn 177 " (cutoff:3.500A) Processing helix chain 'An' and resid 191 through 199 removed outlier: 4.597A pdb=" N LYSAn 199 " --> pdb=" O ARGAn 195 " (cutoff:3.500A) Processing helix chain 'An' and resid 200 through 216 removed outlier: 4.770A pdb=" N ASPAn 206 " --> pdb=" O ALAAn 202 " (cutoff:3.500A) removed outlier: 3.569A pdb=" N PHEAn 207 " --> pdb=" O ASNAn 203 " (cutoff:3.500A) removed outlier: 3.664A pdb=" N HISAn 211 " --> pdb=" O PHEAn 207 " (cutoff:3.500A) removed outlier: 3.882A pdb=" N VALAn 212 " --> pdb=" O VALAn 208 " (cutoff:3.500A) Processing helix chain 'An' and resid 224 through 234 removed outlier: 4.178A pdb=" N VALAn 230 " --> pdb=" O ALAAn 226 " (cutoff:3.500A) removed outlier: 4.129A pdb=" N HISAn 234 " --> pdb=" O VALAn 230 " (cutoff:3.500A) Processing helix chain 'An' and resid 241 through 246 removed outlier: 4.553A pdb=" N ALAAn 245 " --> pdb=" O GLYAn 241 " (cutoff:3.500A) removed outlier: 3.918A pdb=" N LEUAn 246 " --> pdb=" O PHEAn 242 " (cutoff:3.500A) No H-bonds generated for 'chain 'An' and resid 241 through 246' Processing helix chain 'An' and resid 253 through 263 removed outlier: 4.298A pdb=" N GLUAn 257 " --> pdb=" O ALAAn 253 " (cutoff:3.500A) removed outlier: 4.577A pdb=" N TRPAn 258 " --> pdb=" O VALAn 254 " (cutoff:3.500A) removed outlier: 4.249A pdb=" N GLUAn 259 " --> pdb=" O VALAn 255 " (cutoff:3.500A) removed outlier: 5.246A pdb=" N ARGAn 260 " --> pdb=" O GLNAn 256 " (cutoff:3.500A) removed outlier: 3.838A pdb=" N METAn 261 " --> pdb=" O GLUAn 257 " (cutoff:3.500A) removed outlier: 4.615A pdb=" N HISAn 263 " --> pdb=" O GLUAn 259 " (cutoff:3.500A) Processing helix chain 'An' and resid 284 through 307 removed outlier: 3.561A pdb=" N ARGAn 289 " --> pdb=" O LEUAn 285 " (cutoff:3.500A) removed outlier: 3.743A pdb=" N GLUAn 290 " --> pdb=" O THRAn 286 " (cutoff:3.500A) removed outlier: 4.119A pdb=" N ALAAn 296 " --> pdb=" O ARGAn 292 " (cutoff:3.500A) removed outlier: 3.763A pdb=" N ALAAn 299 " --> pdb=" O GLUAn 295 " (cutoff:3.500A) removed outlier: 3.974A pdb=" N GLYAn 307 " --> pdb=" O ASPAn 303 " (cutoff:3.500A) Processing helix chain 'An' and resid 308 through 322 removed outlier: 3.621A pdb=" N METAn 314 " --> pdb=" O ARGAn 310 " (cutoff:3.500A) removed outlier: 3.960A pdb=" N ILEAn 317 " --> pdb=" O HISAn 313 " (cutoff:3.500A) removed outlier: 4.023A pdb=" N GLNAn 322 " --> pdb=" O LYSAn 318 " (cutoff:3.500A) Processing helix chain 'BF' and resid 31 through 40 removed outlier: 3.518A pdb=" N ALABF 37 " --> pdb=" O ASPBF 33 " (cutoff:3.500A) removed outlier: 4.781A pdb=" N GLUBF 38 " --> pdb=" O GLUBF 34 " (cutoff:3.500A) Processing helix chain 'BF' and resid 42 through 52 removed outlier: 3.805A pdb=" N VALBF 46 " --> pdb=" O ASPBF 42 " (cutoff:3.500A) removed outlier: 3.606A pdb=" N ALABF 47 " --> pdb=" O GLUBF 43 " (cutoff:3.500A) removed outlier: 4.260A pdb=" N SERBF 48 " --> pdb=" O ALABF 44 " (cutoff:3.500A) removed outlier: 3.540A pdb=" N LEUBF 49 " --> pdb=" O TYRBF 45 " (cutoff:3.500A) removed outlier: 3.768A pdb=" N TYRBF 50 " --> pdb=" O VALBF 46 " (cutoff:3.500A) Proline residue: BF 52 - end of helix Processing helix chain 'BF' and resid 64 through 69 removed outlier: 3.571A pdb=" N GLNBF 68 " --> pdb=" O TYRBF 64 " (cutoff:3.500A) removed outlier: 5.276A pdb=" N GLYBF 69 " --> pdb=" O PROBF 65 " (cutoff:3.500A) No H-bonds generated for 'chain 'BF' and resid 64 through 69' Processing helix chain 'BF' and resid 80 through 85 removed outlier: 4.076A pdb=" N PHEBF 85 " --> pdb=" O ARGBF 81 " (cutoff:3.500A) Processing helix chain 'BF' and resid 91 through 99 Processing helix chain 'BF' and resid 102 through 107 removed outlier: 4.868A pdb=" N ILEBF 106 " --> pdb=" O ASPBF 102 " (cutoff:3.500A) removed outlier: 3.877A pdb=" N SERBF 107 " --> pdb=" O HISBF 103 " (cutoff:3.500A) No H-bonds generated for 'chain 'BF' and resid 102 through 107' Processing helix chain 'Av' and resid 42 through 54 removed outlier: 3.573A pdb=" N ARGAv 50 " --> pdb=" O LEUAv 46 " (cutoff:3.500A) removed outlier: 4.386A pdb=" N LYSAv 52 " --> pdb=" O ARGAv 48 " (cutoff:3.500A) removed outlier: 4.064A pdb=" N PHEAv 53 " --> pdb=" O GLUAv 49 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N METAv 54 " --> pdb=" O ARGAv 50 " (cutoff:3.500A) Processing helix chain 'Av' and resid 76 through 81 removed outlier: 5.061A pdb=" N GLYAv 80 " --> pdb=" O METAv 76 " (cutoff:3.500A) removed outlier: 4.010A pdb=" N LYSAv 81 " --> pdb=" O TYRAv 77 " (cutoff:3.500A) No H-bonds generated for 'chain 'Av' and resid 76 through 81' Processing helix chain 'Av' and resid 107 through 115 removed outlier: 4.308A pdb=" N ASNAv 111 " --> pdb=" O GLYAv 107 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N LYSAv 112 " --> pdb=" O ILEAv 108 " (cutoff:3.500A) removed outlier: 4.766A pdb=" N ILEAv 113 " --> pdb=" O PHEAv 109 " (cutoff:3.500A) removed outlier: 4.455A pdb=" N VALAv 114 " --> pdb=" O GLUAv 110 " (cutoff:3.500A) removed outlier: 4.416A pdb=" N ALAAv 115 " --> pdb=" O ASNAv 111 " (cutoff:3.500A) No H-bonds generated for 'chain 'Av' and resid 107 through 115' Processing helix chain 'BM' and resid 4 through 11 Processing helix chain 'BM' and resid 29 through 38 removed outlier: 3.792A pdb=" N GLNBM 37 " --> pdb=" O LEUBM 33 " (cutoff:3.500A) Proline residue: BM 38 - end of helix Processing helix chain 'BM' and resid 40 through 62 removed outlier: 3.807A pdb=" N LYSBM 47 " --> pdb=" O TYRBM 43 " (cutoff:3.500A) removed outlier: 4.774A pdb=" N HISBM 48 " --> pdb=" O ALABM 44 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N PHEBM 56 " --> pdb=" O GLNBM 52 " (cutoff:3.500A) removed outlier: 4.559A pdb=" N LEUBM 61 " --> pdb=" O LEUBM 57 " (cutoff:3.500A) Processing helix chain 'BM' and resid 70 through 84 removed outlier: 4.010A pdb=" N HISBM 74 " --> pdb=" O LEUBM 70 " (cutoff:3.500A) removed outlier: 3.967A pdb=" N VALBM 75 " --> pdb=" O ARGBM 71 " (cutoff:3.500A) removed outlier: 3.778A pdb=" N VALBM 78 " --> pdb=" O HISBM 74 " (cutoff:3.500A) removed outlier: 4.483A pdb=" N ARGBM 79 " --> pdb=" O VALBM 75 " (cutoff:3.500A) removed outlier: 3.788A pdb=" N ARGBM 80 " --> pdb=" O TYRBM 76 " (cutoff:3.500A) removed outlier: 4.150A pdb=" N GLNBM 81 " --> pdb=" O TYRBM 77 " (cutoff:3.500A) removed outlier: 4.520A pdb=" N ASPBM 84 " --> pdb=" O ARGBM 80 " (cutoff:3.500A) Processing helix chain 'BM' and resid 85 through 100 removed outlier: 3.971A pdb=" N ARGBM 89 " --> pdb=" O GLUBM 85 " (cutoff:3.500A) removed outlier: 3.536A pdb=" N THRBM 92 " --> pdb=" O ASPBM 88 " (cutoff:3.500A) removed outlier: 3.653A pdb=" N METBM 94 " --> pdb=" O GLNBM 90 " (cutoff:3.500A) removed outlier: 4.118A pdb=" N ALABM 99 " --> pdb=" O GLUBM 95 " (cutoff:3.500A) Processing helix chain 'BM' and resid 120 through 133 removed outlier: 3.972A pdb=" N LEUBM 126 " --> pdb=" O LEUBM 122 " (cutoff:3.500A) removed outlier: 3.569A pdb=" N LEUBM 129 " --> pdb=" O GLUBM 125 " (cutoff:3.500A) removed outlier: 3.906A pdb=" N ALABM 132 " --> pdb=" O LEUBM 128 " (cutoff:3.500A) removed outlier: 4.657A pdb=" N LYSBM 133 " --> pdb=" O LEUBM 129 " (cutoff:3.500A) Processing helix chain 'BM' and resid 136 through 146 removed outlier: 4.408A pdb=" N LEUBM 144 " --> pdb=" O ARGBM 140 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N ASNBM 145 " --> pdb=" O ARGBM 141 " (cutoff:3.500A) Proline residue: BM 146 - end of helix Processing helix chain 'BM' and resid 147 through 163 removed outlier: 3.689A pdb=" N ALABM 152 " --> pdb=" O ALABM 148 " (cutoff:3.500A) removed outlier: 3.713A pdb=" N HISBM 153 " --> pdb=" O ALABM 149 " (cutoff:3.500A) removed outlier: 4.055A pdb=" N METBM 158 " --> pdb=" O ASPBM 154 " (cutoff:3.500A) removed outlier: 4.327A pdb=" N VALBM 161 " --> pdb=" O CYSBM 157 " (cutoff:3.500A) Processing helix chain 'BM' and resid 171 through 183 Proline residue: BM 181 - end of helix Processing helix chain 'BM' and resid 196 through 201 removed outlier: 3.810A pdb=" N GLYBM 200 " --> pdb=" O ILEBM 196 " (cutoff:3.500A) Processing helix chain 'BM' and resid 208 through 217 removed outlier: 3.718A pdb=" N GLUBM 215 " --> pdb=" O LEUBM 211 " (cutoff:3.500A) removed outlier: 4.192A pdb=" N GLNBM 216 " --> pdb=" O GLUBM 212 " (cutoff:3.500A) Processing helix chain 'BM' and resid 224 through 241 removed outlier: 4.488A pdb=" N ASNBM 228 " --> pdb=" O PROBM 224 " (cutoff:3.500A) removed outlier: 3.863A pdb=" N GLYBM 231 " --> pdb=" O TYRBM 227 " (cutoff:3.500A) removed outlier: 3.979A pdb=" N GLUBM 234 " --> pdb=" O VALBM 230 " (cutoff:3.500A) Proline residue: BM 238 - end of helix Processing helix chain 'BM' and resid 242 through 249 removed outlier: 3.949A pdb=" N PHEBM 247 " --> pdb=" O ALABM 243 " (cutoff:3.500A) Processing helix chain 'BM' and resid 251 through 257 removed outlier: 3.648A pdb=" N ARGBM 255 " --> pdb=" O ARGBM 251 " (cutoff:3.500A) Proline residue: BM 256 - end of helix No H-bonds generated for 'chain 'BM' and resid 251 through 257' Processing helix chain 'BM' and resid 268 through 294 removed outlier: 4.092A pdb=" N LYSBM 272 " --> pdb=" O HISBM 268 " (cutoff:3.500A) removed outlier: 3.650A pdb=" N VALBM 273 " --> pdb=" O VALBM 269 " (cutoff:3.500A) removed outlier: 5.562A pdb=" N GLYBM 274 " --> pdb=" O PHEBM 270 " (cutoff:3.500A) removed outlier: 4.191A pdb=" N SERBM 275 " --> pdb=" O ARGBM 271 " (cutoff:3.500A) removed outlier: 3.845A pdb=" N HISBM 276 " --> pdb=" O LYSBM 272 " (cutoff:3.500A) Proline residue: BM 277 - end of helix removed outlier: 6.587A pdb=" N ARGBM 282 " --> pdb=" O LEUBM 278 " (cutoff:3.500A) removed outlier: 5.775A pdb=" N ALABM 283 " --> pdb=" O TYRBM 279 " (cutoff:3.500A) removed outlier: 5.808A pdb=" N SERBM 284 " --> pdb=" O LEUBM 280 " (cutoff:3.500A) removed outlier: 6.420A pdb=" N LEUBM 285 " --> pdb=" O GLNBM 281 " (cutoff:3.500A) removed outlier: 4.471A pdb=" N LEUBM 293 " --> pdb=" O ARGBM 289 " (cutoff:3.500A) Processing helix chain 'BM' and resid 295 through 302 removed outlier: 4.341A pdb=" N ALABM 301 " --> pdb=" O SERBM 297 " (cutoff:3.500A) Processing helix chain 'BM' and resid 311 through 318 removed outlier: 5.421A pdb=" N ALABM 315 " --> pdb=" O CYSBM 311 " (cutoff:3.500A) removed outlier: 4.249A pdb=" N LEUBM 316 " --> pdb=" O VALBM 312 " (cutoff:3.500A) removed outlier: 4.325A pdb=" N PHEBM 317 " --> pdb=" O GLNBM 313 " (cutoff:3.500A) Proline residue: BM 318 - end of helix No H-bonds generated for 'chain 'BM' and resid 311 through 318' Processing helix chain 'BM' and resid 323 through 339 removed outlier: 4.150A pdb=" N LEUBM 327 " --> pdb=" O ARGBM 323 " (cutoff:3.500A) removed outlier: 3.686A pdb=" N TYRBM 328 " --> pdb=" O CYSBM 324 " (cutoff:3.500A) removed outlier: 4.136A pdb=" N THRBM 329 " --> pdb=" O GLNBM 325 " (cutoff:3.500A) removed outlier: 4.802A pdb=" N SERBM 330 " --> pdb=" O TYRBM 326 " (cutoff:3.500A) Proline residue: BM 331 - end of helix removed outlier: 4.071A pdb=" N TRPBM 338 " --> pdb=" O ALABM 334 " (cutoff:3.500A) Processing helix chain 'BM' and resid 349 through 370 Proline residue: BM 356 - end of helix removed outlier: 3.857A pdb=" N ALABM 363 " --> pdb=" O GLUBM 359 " (cutoff:3.500A) removed outlier: 3.955A pdb=" N LEUBM 365 " --> pdb=" O LEUBM 361 " (cutoff:3.500A) removed outlier: 4.718A pdb=" N VALBM 366 " --> pdb=" O ALABM 362 " (cutoff:3.500A) removed outlier: 4.180A pdb=" N GLYBM 369 " --> pdb=" O LEUBM 365 " (cutoff:3.500A) Processing helix chain 'BM' and resid 371 through 387 removed outlier: 4.413A pdb=" N ILEBM 376 " --> pdb=" O ALABM 372 " (cutoff:3.500A) removed outlier: 4.887A pdb=" N GLUBM 377 " --> pdb=" O LYSBM 373 " (cutoff:3.500A) removed outlier: 3.703A pdb=" N ASNBM 381 " --> pdb=" O GLUBM 377 " (cutoff:3.500A) removed outlier: 5.159A pdb=" N LEUBM 382 " --> pdb=" O ALABM 378 " (cutoff:3.500A) removed outlier: 4.409A pdb=" N LEUBM 383 " --> pdb=" O ASPBM 379 " (cutoff:3.500A) removed outlier: 3.542A pdb=" N HISBM 384 " --> pdb=" O THRBM 380 " (cutoff:3.500A) removed outlier: 4.204A pdb=" N THRBM 386 " --> pdb=" O LEUBM 382 " (cutoff:3.500A) removed outlier: 4.773A pdb=" N VALBM 387 " --> pdb=" O LEUBM 383 " (cutoff:3.500A) Processing helix chain 'Ag' and resid 56 through 63 removed outlier: 3.567A pdb=" N LYSAg 60 " --> pdb=" O SERAg 56 " (cutoff:3.500A) removed outlier: 5.463A pdb=" N TRPAg 63 " --> pdb=" O GLUAg 59 " (cutoff:3.500A) Processing helix chain 'Ag' and resid 79 through 91 removed outlier: 3.655A pdb=" N LEUAg 83 " --> pdb=" O SERAg 79 " (cutoff:3.500A) removed outlier: 3.520A pdb=" N GLUAg 85 " --> pdb=" O ALAAg 81 " (cutoff:3.500A) removed outlier: 3.807A pdb=" N LEUAg 87 " --> pdb=" O LEUAg 83 " (cutoff:3.500A) removed outlier: 4.813A pdb=" N GLUAg 88 " --> pdb=" O LYSAg 84 " (cutoff:3.500A) removed outlier: 4.637A pdb=" N METAg 89 " --> pdb=" O GLUAg 85 " (cutoff:3.500A) removed outlier: 3.907A pdb=" N VALAg 90 " --> pdb=" O ALAAg 86 " (cutoff:3.500A) Proline residue: Ag 91 - end of helix Processing helix chain 'Ag' and resid 116 through 121 removed outlier: 4.120A pdb=" N ASNAg 120 " --> pdb=" O ARGAg 116 " (cutoff:3.500A) removed outlier: 5.334A pdb=" N TYRAg 121 " --> pdb=" O TRPAg 117 " (cutoff:3.500A) No H-bonds generated for 'chain 'Ag' and resid 116 through 121' Processing helix chain 'Ag' and resid 122 through 135 removed outlier: 3.976A pdb=" N TYRAg 129 " --> pdb=" O HISAg 125 " (cutoff:3.500A) Processing helix chain 'Ag' and resid 28 through 33 removed outlier: 4.102A pdb=" N LEUAg 32 " --> pdb=" O PROAg 29 " (cutoff:3.500A) Processing helix chain 'Ag' and resid 95 through 100 removed outlier: 3.565A pdb=" N ASPAg 98 " --> pdb=" O GLUAg 95 " (cutoff:3.500A) removed outlier: 4.625A pdb=" N VALAg 99 " --> pdb=" O THRAg 96 " (cutoff:3.500A) Proline residue: Ag 100 - end of helix No H-bonds generated for 'chain 'Ag' and resid 95 through 100' Processing helix chain 'Bl' and resid 106 through 118 Processing helix chain 'Bl' and resid 129 through 134 Proline residue: Bl 134 - end of helix Processing helix chain 'Bl' and resid 137 through 142 removed outlier: 4.490A pdb=" N LEUBl 141 " --> pdb=" O ARGBl 137 " (cutoff:3.500A) Proline residue: Bl 142 - end of helix No H-bonds generated for 'chain 'Bl' and resid 137 through 142' Processing helix chain 'Bl' and resid 183 through 190 removed outlier: 4.432A pdb=" N ALABl 189 " --> pdb=" O GLUBl 185 " (cutoff:3.500A) removed outlier: 4.116A pdb=" N SERBl 190 " --> pdb=" O GLUBl 186 " (cutoff:3.500A) Processing helix chain 'Bl' and resid 220 through 225 removed outlier: 4.737A pdb=" N ASNBl 224 " --> pdb=" O ALABl 220 " (cutoff:3.500A) removed outlier: 5.389A pdb=" N GLYBl 225 " --> pdb=" O PROBl 221 " (cutoff:3.500A) No H-bonds generated for 'chain 'Bl' and resid 220 through 225' Processing helix chain 'Bl' and resid 236 through 247 Proline residue: Bl 247 - end of helix Processing helix chain 'Ax' and resid 63 through 69 removed outlier: 5.791A pdb=" N ALAAx 69 " --> pdb=" O METAx 65 " (cutoff:3.500A) Processing helix chain 'Ax' and resid 166 through 171 Processing helix chain 'BS' and resid 285 through 297 removed outlier: 3.592A pdb=" N ALABS 291 " --> pdb=" O PHEBS 287 " (cutoff:3.500A) removed outlier: 3.805A pdb=" N ARGBS 293 " --> pdb=" O GLNBS 289 " (cutoff:3.500A) removed outlier: 3.740A pdb=" N HISBS 297 " --> pdb=" O ARGBS 293 " (cutoff:3.500A) Processing helix chain 'BS' and resid 388 through 400 removed outlier: 3.700A pdb=" N LEUBS 392 " --> pdb=" O ARGBS 388 " (cutoff:3.500A) removed outlier: 4.050A pdb=" N LYSBS 394 " --> pdb=" O ALABS 390 " (cutoff:3.500A) removed outlier: 3.999A pdb=" N TYRBS 398 " --> pdb=" O LYSBS 394 " (cutoff:3.500A) Processing helix chain 'BS' and resid 299 through 304 removed outlier: 4.305A pdb=" N HISBS 302 " --> pdb=" O VALBS 299 " (cutoff:3.500A) removed outlier: 4.247A pdb=" N ILEBS 303 " --> pdb=" O LEUBS 300 " (cutoff:3.500A) removed outlier: 4.419A pdb=" N ARGBS 304 " --> pdb=" O ARGBS 301 " (cutoff:3.500A) No H-bonds generated for 'chain 'BS' and resid 299 through 304' Processing helix chain 'BS' and resid 364 through 369 removed outlier: 4.919A pdb=" N ALABS 367 " --> pdb=" O ARGBS 364 " (cutoff:3.500A) removed outlier: 4.930A pdb=" N TYRBS 369 " --> pdb=" O ALABS 366 " (cutoff:3.500A) Processing helix chain 'BY' and resid 84 through 97 removed outlier: 4.470A pdb=" N PHEBY 90 " --> pdb=" O LEUBY 86 " (cutoff:3.500A) removed outlier: 3.901A pdb=" N THRBY 95 " --> pdb=" O LEUBY 91 " (cutoff:3.500A) removed outlier: 3.987A pdb=" N ASNBY 96 " --> pdb=" O LYSBY 92 " (cutoff:3.500A) removed outlier: 5.504A pdb=" N ASPBY 97 " --> pdb=" O LEUBY 93 " (cutoff:3.500A) Processing helix chain 'BY' and resid 112 through 117 removed outlier: 4.587A pdb=" N GLUBY 116 " --> pdb=" O ALABY 112 " (cutoff:3.500A) Processing helix chain 'BY' and resid 131 through 136 Proline residue: BY 136 - end of helix Processing helix chain 'BY' and resid 151 through 159 removed outlier: 3.535A pdb=" N ALABY 157 " --> pdb=" O SERBY 153 " (cutoff:3.500A) removed outlier: 4.402A pdb=" N VALBY 158 " --> pdb=" O VALBY 154 " (cutoff:3.500A) Processing helix chain 'BY' and resid 179 through 184 removed outlier: 4.236A pdb=" N ASNBY 183 " --> pdb=" O LYSBY 179 " (cutoff:3.500A) removed outlier: 5.716A pdb=" N HISBY 184 " --> pdb=" O LEUBY 180 " (cutoff:3.500A) No H-bonds generated for 'chain 'BY' and resid 179 through 184' Processing helix chain 'BY' and resid 198 through 213 removed outlier: 4.145A pdb=" N LEUBY 202 " --> pdb=" O ASPBY 198 " (cutoff:3.500A) removed outlier: 7.716A pdb=" N GLYBY 203 " --> pdb=" O PROBY 199 " (cutoff:3.500A) removed outlier: 4.285A pdb=" N LEUBY 205 " --> pdb=" O VALBY 201 " (cutoff:3.500A) removed outlier: 4.345A pdb=" N THRBY 208 " --> pdb=" O THRBY 204 " (cutoff:3.500A) removed outlier: 3.658A pdb=" N ALABY 209 " --> pdb=" O LEUBY 205 " (cutoff:3.500A) removed outlier: 4.488A pdb=" N SERBY 210 " --> pdb=" O LEUBY 206 " (cutoff:3.500A) Processing helix chain 'BY' and resid 228 through 236 removed outlier: 3.860A pdb=" N ARGBY 233 " --> pdb=" O HISBY 229 " (cutoff:3.500A) removed outlier: 3.599A pdb=" N ALABY 235 " --> pdb=" O VALBY 231 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N ARGBY 236 " --> pdb=" O VALBY 232 " (cutoff:3.500A) Processing helix chain 'BY' and resid 237 through 242 removed outlier: 4.316A pdb=" N GLNBY 241 " --> pdb=" O GLYBY 237 " (cutoff:3.500A) removed outlier: 6.352A pdb=" N THRBY 242 " --> pdb=" O ALABY 238 " (cutoff:3.500A) No H-bonds generated for 'chain 'BY' and resid 237 through 242' Processing helix chain 'BY' and resid 255 through 266 removed outlier: 3.869A pdb=" N GLYBY 259 " --> pdb=" O ASPBY 255 " (cutoff:3.500A) removed outlier: 5.074A pdb=" N VALBY 265 " --> pdb=" O LEUBY 261 " (cutoff:3.500A) Processing helix chain 'BY' and resid 282 through 290 removed outlier: 3.695A pdb=" N GLYBY 286 " --> pdb=" O ALABY 282 " (cutoff:3.500A) removed outlier: 4.681A pdb=" N THRBY 288 " --> pdb=" O VALBY 284 " (cutoff:3.500A) removed outlier: 3.831A pdb=" N ALABY 289 " --> pdb=" O ASPBY 285 " (cutoff:3.500A) removed outlier: 3.921A pdb=" N GLYBY 290 " --> pdb=" O GLYBY 286 " (cutoff:3.500A) Processing helix chain 'BY' and resid 306 through 313 removed outlier: 4.615A pdb=" N SERBY 310 " --> pdb=" O VALBY 306 " (cutoff:3.500A) removed outlier: 4.500A pdb=" N VALBY 311 " --> pdb=" O PHEBY 307 " (cutoff:3.500A) removed outlier: 4.553A pdb=" N VALBY 312 " --> pdb=" O ARGBY 308 " (cutoff:3.500A) removed outlier: 4.987A pdb=" N GLYBY 313 " --> pdb=" O SERBY 309 " (cutoff:3.500A) No H-bonds generated for 'chain 'BY' and resid 306 through 313' Processing helix chain 'BY' and resid 329 through 344 removed outlier: 3.821A pdb=" N LEUBY 333 " --> pdb=" O TYRBY 329 " (cutoff:3.500A) removed outlier: 4.174A pdb=" N SERBY 334 " --> pdb=" O ALABY 330 " (cutoff:3.500A) removed outlier: 3.792A pdb=" N ARGBY 335 " --> pdb=" O ALABY 331 " (cutoff:3.500A) removed outlier: 4.216A pdb=" N GLUBY 336 " --> pdb=" O SERBY 332 " (cutoff:3.500A) removed outlier: 3.664A pdb=" N LEUBY 337 " --> pdb=" O LEUBY 333 " (cutoff:3.500A) removed outlier: 3.509A pdb=" N SERBY 339 " --> pdb=" O ARGBY 335 " (cutoff:3.500A) removed outlier: 3.873A pdb=" N GLNBY 342 " --> pdb=" O ALABY 338 " (cutoff:3.500A) removed outlier: 5.806A pdb=" N ALABY 343 " --> pdb=" O SERBY 339 " (cutoff:3.500A) removed outlier: 4.391A pdb=" N ARGBY 344 " --> pdb=" O VALBY 340 " (cutoff:3.500A) Processing helix chain 'BY' and resid 345 through 351 removed outlier: 3.597A pdb=" N SERBY 349 " --> pdb=" O GLUBY 345 " (cutoff:3.500A) removed outlier: 3.904A pdb=" N PHEBY 351 " --> pdb=" O LEUBY 347 " (cutoff:3.500A) Processing helix chain 'BY' and resid 98 through 103 removed outlier: 4.266A pdb=" N ARGBY 103 " --> pdb=" O LYSBY 98 " (cutoff:3.500A) No H-bonds generated for 'chain 'BY' and resid 98 through 103' Processing helix chain 'BX' and resid 84 through 96 removed outlier: 4.188A pdb=" N ASNBX 96 " --> pdb=" O LYSBX 92 " (cutoff:3.500A) Processing helix chain 'BX' and resid 97 through 104 removed outlier: 4.169A pdb=" N GLNBX 101 " --> pdb=" O ASPBX 97 " (cutoff:3.500A) removed outlier: 3.567A pdb=" N ALABX 102 " --> pdb=" O LYSBX 98 " (cutoff:3.500A) removed outlier: 4.381A pdb=" N ARGBX 103 " --> pdb=" O TYRBX 99 " (cutoff:3.500A) Processing helix chain 'BX' and resid 110 through 121 removed outlier: 4.241A pdb=" N GLUBX 115 " --> pdb=" O ARGBX 111 " (cutoff:3.500A) removed outlier: 3.906A pdb=" N ALABX 120 " --> pdb=" O GLUBX 116 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N GLYBX 121 " --> pdb=" O LEUBX 117 " (cutoff:3.500A) Processing helix chain 'BX' and resid 151 through 159 removed outlier: 4.509A pdb=" N THRBX 159 " --> pdb=" O SERBX 155 " (cutoff:3.500A) Processing helix chain 'BX' and resid 175 through 181 removed outlier: 4.519A pdb=" N LYSBX 179 " --> pdb=" O PROBX 175 " (cutoff:3.500A) removed outlier: 4.781A pdb=" N LEUBX 180 " --> pdb=" O METBX 176 " (cutoff:3.500A) Processing helix chain 'BX' and resid 199 through 213 removed outlier: 5.750A pdb=" N GLYBX 203 " --> pdb=" O PROBX 199 " (cutoff:3.500A) removed outlier: 3.530A pdb=" N GLNBX 213 " --> pdb=" O ALABX 209 " (cutoff:3.500A) Processing helix chain 'BX' and resid 228 through 236 Processing helix chain 'BX' and resid 257 through 272 removed outlier: 3.909A pdb=" N LEUBX 261 " --> pdb=" O VALBX 257 " (cutoff:3.500A) removed outlier: 4.304A pdb=" N ASNBX 262 " --> pdb=" O TYRBX 258 " (cutoff:3.500A) removed outlier: 3.744A pdb=" N HISBX 263 " --> pdb=" O GLYBX 259 " (cutoff:3.500A) removed outlier: 3.931A pdb=" N ILEBX 264 " --> pdb=" O LEUBX 260 " (cutoff:3.500A) removed outlier: 4.326A pdb=" N GLUBX 266 " --> pdb=" O ASNBX 262 " (cutoff:3.500A) removed outlier: 5.348A pdb=" N ARGBX 267 " --> pdb=" O HISBX 263 " (cutoff:3.500A) removed outlier: 3.979A pdb=" N LEUBX 271 " --> pdb=" O ARGBX 267 " (cutoff:3.500A) Proline residue: BX 272 - end of helix Processing helix chain 'BX' and resid 311 through 316 Proline residue: BX 316 - end of helix Processing helix chain 'BX' and resid 333 through 343 removed outlier: 4.547A pdb=" N LEUBX 337 " --> pdb=" O LEUBX 333 " (cutoff:3.500A) removed outlier: 5.450A pdb=" N ALABX 338 " --> pdb=" O SERBX 334 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N SERBX 341 " --> pdb=" O LEUBX 337 " (cutoff:3.500A) removed outlier: 4.118A pdb=" N GLNBX 342 " --> pdb=" O ALABX 338 " (cutoff:3.500A) Processing helix chain 'BX' and resid 292 through 297 removed outlier: 5.045A pdb=" N PHEBX 295 " --> pdb=" O GLNBX 292 " (cutoff:3.500A) removed outlier: 5.057A pdb=" N VALBX 296 " --> pdb=" O THRBX 293 " (cutoff:3.500A) removed outlier: 4.795A pdb=" N SERBX 297 " --> pdb=" O GLYBX 294 " (cutoff:3.500A) No H-bonds generated for 'chain 'BX' and resid 292 through 297' Processing helix chain 'BZ' and resid 40 through 50 removed outlier: 3.545A pdb=" N ARGBZ 45 " --> pdb=" O SERBZ 41 " (cutoff:3.500A) Processing helix chain 'BZ' and resid 68 through 77 removed outlier: 3.594A pdb=" N THRBZ 74 " --> pdb=" O ASPBZ 70 " (cutoff:3.500A) Processing helix chain 'BZ' and resid 81 through 91 removed outlier: 3.622A pdb=" N LEUBZ 88 " --> pdb=" O THRBZ 84 " (cutoff:3.500A) Processing helix chain 'BZ' and resid 156 through 167 removed outlier: 6.010A pdb=" N GLUBZ 161 " --> pdb=" O ALABZ 157 " (cutoff:3.500A) removed outlier: 3.828A pdb=" N METBZ 162 " --> pdb=" O LYSBZ 158 " (cutoff:3.500A) removed outlier: 4.306A pdb=" N GLNBZ 164 " --> pdb=" O ARGBZ 160 " (cutoff:3.500A) removed outlier: 3.694A pdb=" N METBZ 166 " --> pdb=" O METBZ 162 " (cutoff:3.500A) removed outlier: 4.772A pdb=" N VALBZ 167 " --> pdb=" O ALABZ 163 " (cutoff:3.500A) Processing helix chain 'BZ' and resid 195 through 205 Proline residue: BZ 201 - end of helix removed outlier: 3.947A pdb=" N ARGBZ 204 " --> pdb=" O LEUBZ 200 " (cutoff:3.500A) removed outlier: 7.316A pdb=" N TYRBZ 205 " --> pdb=" O PROBZ 201 " (cutoff:3.500A) Processing helix chain 'BZ' and resid 230 through 242 removed outlier: 3.781A pdb=" N ARGBZ 235 " --> pdb=" O ALABZ 231 " (cutoff:3.500A) removed outlier: 3.769A pdb=" N METBZ 236 " --> pdb=" O ASNBZ 232 " (cutoff:3.500A) removed outlier: 3.647A pdb=" N GLYBZ 238 " --> pdb=" O HISBZ 234 " (cutoff:3.500A) removed outlier: 4.881A pdb=" N ARGBZ 239 " --> pdb=" O ARGBZ 235 " (cutoff:3.500A) removed outlier: 4.785A pdb=" N METBZ 240 " --> pdb=" O METBZ 236 " (cutoff:3.500A) removed outlier: 4.560A pdb=" N PHEBZ 241 " --> pdb=" O LEUBZ 237 " (cutoff:3.500A) removed outlier: 3.675A pdb=" N VALBZ 242 " --> pdb=" O GLYBZ 238 " (cutoff:3.500A) Processing helix chain 'BZ' and resid 321 through 332 removed outlier: 4.178A pdb=" N LEUBZ 331 " --> pdb=" O ALABZ 327 " (cutoff:3.500A) Processing helix chain 'BZ' and resid 344 through 349 Proline residue: BZ 348 - end of helix No H-bonds generated for 'chain 'BZ' and resid 344 through 349' Processing helix chain 'BZ' and resid 390 through 401 removed outlier: 3.959A pdb=" N THRBZ 396 " --> pdb=" O HISBZ 392 " (cutoff:3.500A) Processing helix chain 'CC' and resid 70 through 85 removed outlier: 3.743A pdb=" N VALCC 74 " --> pdb=" O ASPCC 70 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N ARGCC 77 " --> pdb=" O ASPCC 73 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N LEUCC 79 " --> pdb=" O LEUCC 75 " (cutoff:3.500A) removed outlier: 4.637A pdb=" N GLUCC 80 " --> pdb=" O THRCC 76 " (cutoff:3.500A) removed outlier: 3.704A pdb=" N VALCC 82 " --> pdb=" O VALCC 78 " (cutoff:3.500A) removed outlier: 5.024A pdb=" N LYSCC 83 " --> pdb=" O LEUCC 79 " (cutoff:3.500A) removed outlier: 4.072A pdb=" N PHECC 85 " --> pdb=" O VALCC 81 " (cutoff:3.500A) Processing helix chain 'CC' and resid 89 through 94 removed outlier: 5.555A pdb=" N THRCC 94 " --> pdb=" O ALACC 90 " (cutoff:3.500A) Processing helix chain 'CC' and resid 107 through 122 removed outlier: 4.971A pdb=" N VALCC 111 " --> pdb=" O SERCC 107 " (cutoff:3.500A) removed outlier: 4.175A pdb=" N GLUCC 112 " --> pdb=" O LEUCC 108 " (cutoff:3.500A) removed outlier: 4.249A pdb=" N VALCC 114 " --> pdb=" O VALCC 110 " (cutoff:3.500A) removed outlier: 3.634A pdb=" N ALACC 116 " --> pdb=" O GLUCC 112 " (cutoff:3.500A) removed outlier: 4.021A pdb=" N ILECC 122 " --> pdb=" O GLUCC 118 " (cutoff:3.500A) Processing helix chain 'CC' and resid 126 through 133 removed outlier: 3.539A pdb=" N ALACC 130 " --> pdb=" O PROCC 126 " (cutoff:3.500A) Processing helix chain 'CC' and resid 136 through 146 removed outlier: 4.798A pdb=" N GLUCC 141 " --> pdb=" O PROCC 137 " (cutoff:3.500A) removed outlier: 4.804A pdb=" N TYRCC 142 " --> pdb=" O ASPCC 138 " (cutoff:3.500A) removed outlier: 3.596A pdb=" N ILECC 143 " --> pdb=" O ALACC 139 " (cutoff:3.500A) removed outlier: 3.613A pdb=" N GLNCC 145 " --> pdb=" O GLUCC 141 " (cutoff:3.500A) Processing helix chain 'CC' and resid 98 through 104 Processing helix chain 'CD' and resid 39 through 49 Processing helix chain 'CD' and resid 62 through 79 removed outlier: 3.794A pdb=" N LEUCD 67 " --> pdb=" O GLNCD 63 " (cutoff:3.500A) removed outlier: 4.016A pdb=" N LEUCD 72 " --> pdb=" O TYRCD 68 " (cutoff:3.500A) removed outlier: 4.089A pdb=" N LYSCD 77 " --> pdb=" O LYSCD 73 " (cutoff:3.500A) removed outlier: 4.411A pdb=" N THRCD 78 " --> pdb=" O GLUCD 74 " (cutoff:3.500A) Processing helix chain 'CD' and resid 83 through 101 removed outlier: 3.568A pdb=" N ARGCD 88 " --> pdb=" O LYSCD 84 " (cutoff:3.500A) removed outlier: 4.678A pdb=" N SERCD 99 " --> pdb=" O LEUCD 95 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N GLNCD 101 " --> pdb=" O VALCD 97 " (cutoff:3.500A) Processing helix chain 'CD' and resid 103 through 121 removed outlier: 3.907A pdb=" N ARGCD 107 " --> pdb=" O SERCD 103 " (cutoff:3.500A) removed outlier: 4.008A pdb=" N LEUCD 118 " --> pdb=" O GLYCD 114 " (cutoff:3.500A) Processing helix chain 'BT' and resid 57 through 73 removed outlier: 3.880A pdb=" N ALABT 61 " --> pdb=" O HISBT 57 " (cutoff:3.500A) removed outlier: 3.715A pdb=" N ALABT 62 " --> pdb=" O METBT 58 " (cutoff:3.500A) removed outlier: 5.954A pdb=" N ASNBT 63 " --> pdb=" O GLNBT 59 " (cutoff:3.500A) removed outlier: 5.307A pdb=" N METBT 64 " --> pdb=" O SERBT 60 " (cutoff:3.500A) removed outlier: 3.611A pdb=" N LEUBT 65 " --> pdb=" O ALABT 61 " (cutoff:3.500A) removed outlier: 3.932A pdb=" N ASPBT 67 " --> pdb=" O ASNBT 63 " (cutoff:3.500A) removed outlier: 4.135A pdb=" N ASPBT 71 " --> pdb=" O ASPBT 67 " (cutoff:3.500A) removed outlier: 3.754A pdb=" N ALABT 72 " --> pdb=" O LYSBT 68 " (cutoff:3.500A) removed outlier: 5.346A pdb=" N ASPBT 73 " --> pdb=" O VALBT 69 " (cutoff:3.500A) Processing helix chain 'BT' and resid 83 through 89 removed outlier: 3.793A pdb=" N THRBT 87 " --> pdb=" O LEUBT 83 " (cutoff:3.500A) removed outlier: 4.932A pdb=" N GLUBT 88 " --> pdb=" O PROBT 84 " (cutoff:3.500A) removed outlier: 6.256A pdb=" N ASNBT 89 " --> pdb=" O PHEBT 85 " (cutoff:3.500A) No H-bonds generated for 'chain 'BT' and resid 83 through 89' Processing helix chain 'BT' and resid 107 through 112 removed outlier: 3.883A pdb=" N SERBT 111 " --> pdb=" O LYSBT 107 " (cutoff:3.500A) removed outlier: 5.210A pdb=" N ASNBT 112 " --> pdb=" O ALABT 108 " (cutoff:3.500A) No H-bonds generated for 'chain 'BT' and resid 107 through 112' Processing helix chain 'BT' and resid 113 through 127 removed outlier: 3.897A pdb=" N ALABT 118 " --> pdb=" O ASPBT 114 " (cutoff:3.500A) removed outlier: 3.509A pdb=" N ILEBT 119 " --> pdb=" O SERBT 115 " (cutoff:3.500A) removed outlier: 3.958A pdb=" N TYRBT 123 " --> pdb=" O ILEBT 119 " (cutoff:3.500A) Processing helix chain 'BT' and resid 138 through 154 removed outlier: 3.798A pdb=" N VALBT 142 " --> pdb=" O CYSBT 138 " (cutoff:3.500A) removed outlier: 4.256A pdb=" N THRBT 150 " --> pdb=" O VALBT 146 " (cutoff:3.500A) removed outlier: 4.079A pdb=" N THRBT 151 " --> pdb=" O GLNBT 147 " (cutoff:3.500A) removed outlier: 3.599A pdb=" N HISBT 152 " --> pdb=" O ARGBT 148 " (cutoff:3.500A) removed outlier: 4.904A pdb=" N ILEBT 153 " --> pdb=" O PHEBT 149 " (cutoff:3.500A) Processing helix chain 'BT' and resid 175 through 191 removed outlier: 3.726A pdb=" N LEUBT 183 " --> pdb=" O LEUBT 179 " (cutoff:3.500A) removed outlier: 3.630A pdb=" N LEUBT 185 " --> pdb=" O ASNBT 181 " (cutoff:3.500A) removed outlier: 3.750A pdb=" N ALABT 186 " --> pdb=" O SERBT 182 " (cutoff:3.500A) removed outlier: 3.661A pdb=" N HISBT 187 " --> pdb=" O LEUBT 183 " (cutoff:3.500A) removed outlier: 3.864A pdb=" N GLUBT 188 " --> pdb=" O ARGBT 184 " (cutoff:3.500A) removed outlier: 4.029A pdb=" N TYRBT 189 " --> pdb=" O LEUBT 185 " (cutoff:3.500A) removed outlier: 4.014A pdb=" N PHEBT 191 " --> pdb=" O HISBT 187 " (cutoff:3.500A) Processing helix chain 'BT' and resid 241 through 252 removed outlier: 4.169A pdb=" N LEUBT 246 " --> pdb=" O LYSBT 242 " (cutoff:3.500A) removed outlier: 3.807A pdb=" N GLYBT 252 " --> pdb=" O LEUBT 248 " (cutoff:3.500A) Processing helix chain 'BT' and resid 262 through 275 removed outlier: 3.554A pdb=" N VALBT 266 " --> pdb=" O PROBT 262 " (cutoff:3.500A) removed outlier: 3.592A pdb=" N ARGBT 268 " --> pdb=" O GLYBT 264 " (cutoff:3.500A) removed outlier: 3.541A pdb=" N TYRBT 269 " --> pdb=" O METBT 265 " (cutoff:3.500A) removed outlier: 3.573A pdb=" N LEUBT 274 " --> pdb=" O ILEBT 270 " (cutoff:3.500A) removed outlier: 3.813A pdb=" N VALBT 275 " --> pdb=" O TYRBT 271 " (cutoff:3.500A) Processing helix chain 'BT' and resid 278 through 288 removed outlier: 5.589A pdb=" N HISBT 282 " --> pdb=" O GLYBT 278 " (cutoff:3.500A) removed outlier: 4.579A pdb=" N METBT 283 " --> pdb=" O SERBT 279 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N LEUBT 287 " --> pdb=" O METBT 283 " (cutoff:3.500A) removed outlier: 3.646A pdb=" N HISBT 288 " --> pdb=" O ALABT 284 " (cutoff:3.500A) Processing helix chain 'BT' and resid 295 through 305 removed outlier: 3.765A pdb=" N CYSBT 299 " --> pdb=" O SERBT 295 " (cutoff:3.500A) removed outlier: 3.959A pdb=" N CYSBT 304 " --> pdb=" O VALBT 300 " (cutoff:3.500A) removed outlier: 5.739A pdb=" N GLUBT 305 " --> pdb=" O ALABT 301 " (cutoff:3.500A) Processing helix chain 'BT' and resid 319 through 334 removed outlier: 3.871A pdb=" N ALABT 323 " --> pdb=" O ASPBT 319 " (cutoff:3.500A) removed outlier: 3.666A pdb=" N PHEBT 326 " --> pdb=" O ARGBT 322 " (cutoff:3.500A) removed outlier: 3.891A pdb=" N PHEBT 331 " --> pdb=" O PHEBT 327 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N GLYBT 334 " --> pdb=" O ASPBT 330 " (cutoff:3.500A) Processing helix chain 'BU' and resid 38 through 49 removed outlier: 4.801A pdb=" N SERBU 42 " --> pdb=" O ASNBU 38 " (cutoff:3.500A) removed outlier: 4.034A pdb=" N PHEBU 45 " --> pdb=" O LYSBU 41 " (cutoff:3.500A) removed outlier: 3.784A pdb=" N ASNBU 46 " --> pdb=" O SERBU 42 " (cutoff:3.500A) removed outlier: 4.225A pdb=" N LEUBU 47 " --> pdb=" O SERBU 43 " (cutoff:3.500A) removed outlier: 4.311A pdb=" N LEUBU 48 " --> pdb=" O LEUBU 44 " (cutoff:3.500A) removed outlier: 4.274A pdb=" N CYSBU 49 " --> pdb=" O PHEBU 45 " (cutoff:3.500A) Processing helix chain 'BU' and resid 95 through 108 removed outlier: 4.574A pdb=" N GLUBU 99 " --> pdb=" O LYSBU 95 " (cutoff:3.500A) removed outlier: 4.390A pdb=" N ALABU 100 " --> pdb=" O LEUBU 96 " (cutoff:3.500A) removed outlier: 3.653A pdb=" N PHEBU 101 " --> pdb=" O VALBU 97 " (cutoff:3.500A) removed outlier: 3.514A pdb=" N ARGBU 102 " --> pdb=" O GLUBU 98 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N THRBU 103 " --> pdb=" O GLUBU 99 " (cutoff:3.500A) removed outlier: 3.629A pdb=" N GLUBU 105 " --> pdb=" O PHEBU 101 " (cutoff:3.500A) removed outlier: 3.567A pdb=" N THRBU 106 " --> pdb=" O ARGBU 102 " (cutoff:3.500A) removed outlier: 4.442A pdb=" N ALABU 107 " --> pdb=" O THRBU 103 " (cutoff:3.500A) removed outlier: 5.549A pdb=" N ASPBU 108 " --> pdb=" O VALBU 104 " (cutoff:3.500A) Processing helix chain 'BU' and resid 121 through 135 removed outlier: 3.774A pdb=" N HISBU 125 " --> pdb=" O SERBU 121 " (cutoff:3.500A) removed outlier: 4.448A pdb=" N ILEBU 128 " --> pdb=" O GLUBU 124 " (cutoff:3.500A) removed outlier: 3.504A pdb=" N LYSBU 135 " --> pdb=" O LEUBU 131 " (cutoff:3.500A) Processing helix chain 'BU' and resid 152 through 164 removed outlier: 4.319A pdb=" N VALBU 156 " --> pdb=" O GLUBU 152 " (cutoff:3.500A) removed outlier: 4.048A pdb=" N TYRBU 160 " --> pdb=" O VALBU 156 " (cutoff:3.500A) removed outlier: 4.350A pdb=" N LEUBU 163 " --> pdb=" O VALBU 159 " (cutoff:3.500A) removed outlier: 4.937A pdb=" N GLYBU 164 " --> pdb=" O TYRBU 160 " (cutoff:3.500A) Processing helix chain 'BU' and resid 181 through 209 removed outlier: 4.941A pdb=" N LEUBU 185 " --> pdb=" O METBU 181 " (cutoff:3.500A) removed outlier: 4.286A pdb=" N GLUBU 187 " --> pdb=" O SERBU 183 " (cutoff:3.500A) Proline residue: BU 188 - end of helix removed outlier: 3.992A pdb=" N ASPBU 206 " --> pdb=" O TRPBU 202 " (cutoff:3.500A) removed outlier: 3.859A pdb=" N LEUBU 207 " --> pdb=" O ASPBU 203 " (cutoff:3.500A) removed outlier: 3.828A pdb=" N ALABU 208 " --> pdb=" O ILEBU 204 " (cutoff:3.500A) removed outlier: 4.788A pdb=" N METBU 209 " --> pdb=" O GLUBU 205 " (cutoff:3.500A) Processing helix chain 'BU' and resid 213 through 222 removed outlier: 5.881A pdb=" N GLUBU 217 " --> pdb=" O GLUBU 213 " (cutoff:3.500A) removed outlier: 3.825A pdb=" N GLUBU 218 " --> pdb=" O ALABU 214 " (cutoff:3.500A) removed outlier: 4.367A pdb=" N ILEBU 219 " --> pdb=" O ALABU 215 " (cutoff:3.500A) removed outlier: 3.568A pdb=" N ASPBU 221 " --> pdb=" O GLUBU 217 " (cutoff:3.500A) removed outlier: 3.877A pdb=" N ARGBU 222 " --> pdb=" O GLUBU 218 " (cutoff:3.500A) Processing helix chain 'BU' and resid 240 through 251 removed outlier: 4.499A pdb=" N LEUBU 244 " --> pdb=" O GLYBU 240 " (cutoff:3.500A) removed outlier: 3.999A pdb=" N VALBU 245 " --> pdb=" O LYSBU 241 " (cutoff:3.500A) Processing helix chain 'BU' and resid 301 through 312 removed outlier: 4.470A pdb=" N GLUBU 308 " --> pdb=" O LEUBU 304 " (cutoff:3.500A) removed outlier: 3.697A pdb=" N ILEBU 309 " --> pdb=" O SERBU 305 " (cutoff:3.500A) removed outlier: 4.222A pdb=" N TYRBU 311 " --> pdb=" O ASNBU 307 " (cutoff:3.500A) removed outlier: 4.431A pdb=" N ALABU 312 " --> pdb=" O GLUBU 308 " (cutoff:3.500A) Processing helix chain 'BU' and resid 327 through 341 removed outlier: 3.613A pdb=" N METBU 331 " --> pdb=" O ASNBU 327 " (cutoff:3.500A) removed outlier: 3.885A pdb=" N SERBU 332 " --> pdb=" O LYSBU 328 " (cutoff:3.500A) removed outlier: 4.455A pdb=" N LEUBU 334 " --> pdb=" O ASPBU 330 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N GLYBU 341 " --> pdb=" O VALBU 337 " (cutoff:3.500A) Processing helix chain 'BU' and resid 350 through 355 removed outlier: 3.924A pdb=" N VALBU 354 " --> pdb=" O LYSBU 350 " (cutoff:3.500A) removed outlier: 5.356A pdb=" N LEUBU 355 " --> pdb=" O TRPBU 351 " (cutoff:3.500A) No H-bonds generated for 'chain 'BU' and resid 350 through 355' Processing helix chain 'BU' and resid 358 through 371 removed outlier: 5.578A pdb=" N GLUBU 362 " --> pdb=" O SERBU 358 " (cutoff:3.500A) removed outlier: 5.915A pdb=" N ALABU 363 " --> pdb=" O ALABU 359 " (cutoff:3.500A) removed outlier: 6.197A pdb=" N ILEBU 364 " --> pdb=" O THRBU 360 " (cutoff:3.500A) removed outlier: 5.184A pdb=" N ASPBU 365 " --> pdb=" O ALABU 361 " (cutoff:3.500A) removed outlier: 4.093A pdb=" N ILEBU 368 " --> pdb=" O ILEBU 364 " (cutoff:3.500A) removed outlier: 5.161A pdb=" N LYSBU 369 " --> pdb=" O ASPBU 365 " (cutoff:3.500A) removed outlier: 4.647A pdb=" N GLNBU 371 " --> pdb=" O LYSBU 367 " (cutoff:3.500A) Processing helix chain 'BU' and resid 390 through 407 removed outlier: 3.680A pdb=" N ASPBU 403 " --> pdb=" O LEUBU 399 " (cutoff:3.500A) removed outlier: 3.592A pdb=" N ASNBU 406 " --> pdb=" O TYRBU 402 " (cutoff:3.500A) removed outlier: 4.304A pdb=" N LYSBU 407 " --> pdb=" O ASPBU 403 " (cutoff:3.500A) Processing helix chain 'BU' and resid 410 through 425 removed outlier: 3.554A pdb=" N THRBU 415 " --> pdb=" O ARGBU 411 " (cutoff:3.500A) removed outlier: 4.768A pdb=" N LYSBU 420 " --> pdb=" O LYSBU 416 " (cutoff:3.500A) removed outlier: 3.871A pdb=" N SERBU 424 " --> pdb=" O LYSBU 420 " (cutoff:3.500A) Processing helix chain 'BU' and resid 428 through 433 removed outlier: 6.204A pdb=" N ALABU 432 " --> pdb=" O PROBU 428 " (cutoff:3.500A) Processing helix chain 'BU' and resid 461 through 477 removed outlier: 3.858A pdb=" N METBU 468 " --> pdb=" O LEUBU 464 " (cutoff:3.500A) removed outlier: 3.562A pdb=" N ALABU 471 " --> pdb=" O METBU 467 " (cutoff:3.500A) Processing helix chain 'BU' and resid 373 through 378 removed outlier: 4.981A pdb=" N LYSBU 376 " --> pdb=" O GLNBU 373 " (cutoff:3.500A) removed outlier: 5.009A pdb=" N TYRBU 377 " --> pdb=" O GLUBU 374 " (cutoff:3.500A) Processing helix chain 'BW' and resid 93 through 101 removed outlier: 4.142A pdb=" N THRBW 97 " --> pdb=" O SERBW 93 " (cutoff:3.500A) removed outlier: 4.757A pdb=" N ALABW 98 " --> pdb=" O PROBW 94 " (cutoff:3.500A) removed outlier: 6.809A pdb=" N GLNBW 99 " --> pdb=" O ALABW 95 " (cutoff:3.500A) removed outlier: 6.420A pdb=" N SERBW 100 " --> pdb=" O ARGBW 96 " (cutoff:3.500A) Proline residue: BW 101 - end of helix No H-bonds generated for 'chain 'BW' and resid 93 through 101' Processing helix chain 'BW' and resid 114 through 119 Processing helix chain 'BW' and resid 121 through 132 removed outlier: 4.253A pdb=" N ALABW 127 " --> pdb=" O ALABW 123 " (cutoff:3.500A) Processing helix chain 'BW' and resid 137 through 150 removed outlier: 3.827A pdb=" N THRBW 142 " --> pdb=" O PROBW 138 " (cutoff:3.500A) removed outlier: 4.707A pdb=" N GLUBW 145 " --> pdb=" O GLNBW 141 " (cutoff:3.500A) removed outlier: 4.048A pdb=" N ALABW 146 " --> pdb=" O THRBW 142 " (cutoff:3.500A) removed outlier: 5.232A pdb=" N ARGBW 150 " --> pdb=" O ALABW 146 " (cutoff:3.500A) Processing helix chain 'BW' and resid 162 through 181 Proline residue: BW 170 - end of helix removed outlier: 3.604A pdb=" N VALBW 181 " --> pdb=" O LYSBW 177 " (cutoff:3.500A) Processing helix chain 'BW' and resid 199 through 218 removed outlier: 4.095A pdb=" N GLNBW 205 " --> pdb=" O GLUBW 201 " (cutoff:3.500A) removed outlier: 3.576A pdb=" N CYSBW 210 " --> pdb=" O LEUBW 206 " (cutoff:3.500A) removed outlier: 4.344A pdb=" N LEUBW 213 " --> pdb=" O VALBW 209 " (cutoff:3.500A) removed outlier: 4.694A pdb=" N ASPBW 214 " --> pdb=" O CYSBW 210 " (cutoff:3.500A) removed outlier: 5.916A pdb=" N ALABW 215 " --> pdb=" O ALABW 211 " (cutoff:3.500A) removed outlier: 6.361A pdb=" N ALABW 216 " --> pdb=" O ARGBW 212 " (cutoff:3.500A) removed outlier: 5.525A pdb=" N THRBW 217 " --> pdb=" O LEUBW 213 " (cutoff:3.500A) removed outlier: 5.343A pdb=" N GLYBW 218 " --> pdb=" O ASPBW 214 " (cutoff:3.500A) Processing helix chain 'BW' and resid 229 through 240 removed outlier: 4.043A pdb=" N HISBW 233 " --> pdb=" O ARGBW 229 " (cutoff:3.500A) removed outlier: 3.750A pdb=" N LEUBW 234 " --> pdb=" O SERBW 230 " (cutoff:3.500A) removed outlier: 5.204A pdb=" N SERBW 235 " --> pdb=" O LYSBW 231 " (cutoff:3.500A) removed outlier: 6.864A pdb=" N ARGBW 236 " --> pdb=" O TYRBW 232 " (cutoff:3.500A) removed outlier: 5.405A pdb=" N METBW 237 " --> pdb=" O HISBW 233 " (cutoff:3.500A) removed outlier: 5.156A pdb=" N ASNBW 240 " --> pdb=" O ARGBW 236 " (cutoff:3.500A) Processing helix chain 'BW' and resid 249 through 260 removed outlier: 3.783A pdb=" N ARGBW 260 " --> pdb=" O LEUBW 256 " (cutoff:3.500A) Processing helix chain 'BW' and resid 274 through 281 removed outlier: 5.382A pdb=" N SERBW 280 " --> pdb=" O ASPBW 276 " (cutoff:3.500A) removed outlier: 5.506A pdb=" N SERBW 281 " --> pdb=" O ALABW 277 " (cutoff:3.500A) Processing helix chain 'BW' and resid 285 through 301 removed outlier: 4.534A pdb=" N GLNBW 289 " --> pdb=" O HISBW 285 " (cutoff:3.500A) removed outlier: 3.952A pdb=" N LEUBW 290 " --> pdb=" O ASPBW 286 " (cutoff:3.500A) removed outlier: 6.418A pdb=" N METBW 292 " --> pdb=" O VALBW 288 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N LYSBW 293 " --> pdb=" O GLNBW 289 " (cutoff:3.500A) removed outlier: 4.015A pdb=" N GLNBW 299 " --> pdb=" O GLNBW 295 " (cutoff:3.500A) removed outlier: 4.343A pdb=" N PHEBW 300 " --> pdb=" O LYSBW 296 " (cutoff:3.500A) removed outlier: 4.793A pdb=" N LYSBW 301 " --> pdb=" O ARGBW 297 " (cutoff:3.500A) Processing helix chain 'BW' and resid 318 through 326 removed outlier: 3.710A pdb=" N TYRBW 323 " --> pdb=" O ARGBW 319 " (cutoff:3.500A) removed outlier: 3.573A pdb=" N VALBW 325 " --> pdb=" O LEUBW 321 " (cutoff:3.500A) Processing helix chain 'BW' and resid 359 through 371 removed outlier: 4.792A pdb=" N THRBW 363 " --> pdb=" O PROBW 359 " (cutoff:3.500A) removed outlier: 3.746A pdb=" N VALBW 364 " --> pdb=" O GLUBW 360 " (cutoff:3.500A) removed outlier: 3.861A pdb=" N LEUBW 365 " --> pdb=" O LYSBW 361 " (cutoff:3.500A) removed outlier: 5.484A pdb=" N LYSBW 371 " --> pdb=" O HISBW 367 " (cutoff:3.500A) Processing helix chain 'BW' and resid 515 through 530 removed outlier: 3.841A pdb=" N THRBW 520 " --> pdb=" O ILEBW 516 " (cutoff:3.500A) removed outlier: 3.687A pdb=" N ALABW 521 " --> pdb=" O ASPBW 517 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N PHEBW 523 " --> pdb=" O THRBW 519 " (cutoff:3.500A) Processing helix chain 'BW' and resid 541 through 555 removed outlier: 3.846A pdb=" N PHEBW 552 " --> pdb=" O METBW 548 " (cutoff:3.500A) removed outlier: 4.870A pdb=" N SERBW 554 " --> pdb=" O ALABW 550 " (cutoff:3.500A) removed outlier: 4.242A pdb=" N GLYBW 555 " --> pdb=" O ASPBW 551 " (cutoff:3.500A) Processing helix chain 'BW' and resid 563 through 568 removed outlier: 4.318A pdb=" N ALABW 567 " --> pdb=" O THRBW 563 " (cutoff:3.500A) removed outlier: 3.889A pdb=" N ARGBW 568 " --> pdb=" O ASPBW 564 " (cutoff:3.500A) No H-bonds generated for 'chain 'BW' and resid 563 through 568' Processing helix chain 'BW' and resid 585 through 598 removed outlier: 3.971A pdb=" N TYRBW 589 " --> pdb=" O ASNBW 585 " (cutoff:3.500A) removed outlier: 4.227A pdb=" N ARGBW 592 " --> pdb=" O ALABW 588 " (cutoff:3.500A) removed outlier: 3.736A pdb=" N ARGBW 595 " --> pdb=" O SERBW 591 " (cutoff:3.500A) removed outlier: 3.974A pdb=" N THRBW 596 " --> pdb=" O ARGBW 592 " (cutoff:3.500A) removed outlier: 4.121A pdb=" N ALABW 597 " --> pdb=" O SERBW 593 " (cutoff:3.500A) removed outlier: 5.345A pdb=" N ARGBW 598 " --> pdb=" O GLYBW 594 " (cutoff:3.500A) Processing helix chain 'BW' and resid 613 through 627 removed outlier: 3.536A pdb=" N LYSBW 621 " --> pdb=" O VALBW 617 " (cutoff:3.500A) removed outlier: 3.746A pdb=" N ALABW 622 " --> pdb=" O SERBW 618 " (cutoff:3.500A) removed outlier: 3.964A pdb=" N LYSBW 625 " --> pdb=" O LYSBW 621 " (cutoff:3.500A) removed outlier: 3.789A pdb=" N ASPBW 626 " --> pdb=" O ALABW 622 " (cutoff:3.500A) Processing helix chain 'BW' and resid 629 through 634 removed outlier: 6.810A pdb=" N LEUBW 633 " --> pdb=" O PROBW 629 " (cutoff:3.500A) removed outlier: 4.654A pdb=" N THRBW 634 " --> pdb=" O METBW 630 " (cutoff:3.500A) No H-bonds generated for 'chain 'BW' and resid 629 through 634' Processing helix chain 'BW' and resid 635 through 640 removed outlier: 6.440A pdb=" N METBW 640 " --> pdb=" O ASNBW 635 " (cutoff:3.500A) No H-bonds generated for 'chain 'BW' and resid 635 through 640' Processing helix chain 'BV' and resid 109 through 119 removed outlier: 3.910A pdb=" N ILEBV 114 " --> pdb=" O LYSBV 110 " (cutoff:3.500A) removed outlier: 4.494A pdb=" N LEUBV 117 " --> pdb=" O LEUBV 113 " (cutoff:3.500A) removed outlier: 3.791A pdb=" N LEUBV 118 " --> pdb=" O ILEBV 114 " (cutoff:3.500A) removed outlier: 4.590A pdb=" N HISBV 119 " --> pdb=" O SERBV 115 " (cutoff:3.500A) Processing helix chain 'BV' and resid 123 through 128 removed outlier: 4.170A pdb=" N GLYBV 127 " --> pdb=" O LEUBV 123 " (cutoff:3.500A) removed outlier: 8.010A pdb=" N ALABV 128 " --> pdb=" O GLYBV 124 " (cutoff:3.500A) No H-bonds generated for 'chain 'BV' and resid 123 through 128' Processing helix chain 'BV' and resid 167 through 182 removed outlier: 4.496A pdb=" N ALABV 171 " --> pdb=" O GLUBV 167 " (cutoff:3.500A) removed outlier: 3.764A pdb=" N SERBV 173 " --> pdb=" O ALABV 169 " (cutoff:3.500A) removed outlier: 4.135A pdb=" N ILEBV 174 " --> pdb=" O ASNBV 170 " (cutoff:3.500A) removed outlier: 4.027A pdb=" N LEUBV 175 " --> pdb=" O ALABV 171 " (cutoff:3.500A) removed outlier: 3.523A pdb=" N ARGBV 177 " --> pdb=" O SERBV 173 " (cutoff:3.500A) Processing helix chain 'BV' and resid 205 through 219 removed outlier: 3.881A pdb=" N GLUBV 209 " --> pdb=" O GLNBV 205 " (cutoff:3.500A) removed outlier: 3.990A pdb=" N GLUBV 210 " --> pdb=" O PROBV 206 " (cutoff:3.500A) removed outlier: 3.581A pdb=" N SERBV 216 " --> pdb=" O LEUBV 212 " (cutoff:3.500A) removed outlier: 4.078A pdb=" N GLUBV 218 " --> pdb=" O PHEBV 214 " (cutoff:3.500A) Processing helix chain 'BV' and resid 228 through 234 removed outlier: 4.669A pdb=" N HISBV 232 " --> pdb=" O LYSBV 228 " (cutoff:3.500A) removed outlier: 3.551A pdb=" N TRPBV 233 " --> pdb=" O ILEBV 229 " (cutoff:3.500A) removed outlier: 4.460A pdb=" N ARGBV 234 " --> pdb=" O ASPBV 230 " (cutoff:3.500A) No H-bonds generated for 'chain 'BV' and resid 228 through 234' Processing helix chain 'BV' and resid 272 through 289 removed outlier: 4.562A pdb=" N GLYBV 276 " --> pdb=" O LEUBV 272 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N VALBV 277 " --> pdb=" O PROBV 273 " (cutoff:3.500A) removed outlier: 4.781A pdb=" N ALABV 278 " --> pdb=" O GLNBV 274 " (cutoff:3.500A) removed outlier: 5.435A pdb=" N ARGBV 279 " --> pdb=" O ASPBV 275 " (cutoff:3.500A) removed outlier: 4.649A pdb=" N METBV 281 " --> pdb=" O VALBV 277 " (cutoff:3.500A) removed outlier: 4.353A pdb=" N GLUBV 286 " --> pdb=" O GLNBV 282 " (cutoff:3.500A) removed outlier: 4.538A pdb=" N PHEBV 287 " --> pdb=" O GLUBV 283 " (cutoff:3.500A) removed outlier: 5.061A pdb=" N GLYBV 289 " --> pdb=" O TYRBV 285 " (cutoff:3.500A) Processing helix chain 'BV' and resid 315 through 323 removed outlier: 4.244A pdb=" N VALBV 319 " --> pdb=" O GLNBV 315 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N TYRBV 321 " --> pdb=" O ASPBV 317 " (cutoff:3.500A) Processing helix chain 'BV' and resid 160 through 165 removed outlier: 5.735A pdb=" N GLNBV 163 " --> pdb=" O GLUBV 160 " (cutoff:3.500A) removed outlier: 4.789A pdb=" N ARGBV 164 " --> pdb=" O VALBV 161 " (cutoff:3.500A) removed outlier: 4.038A pdb=" N LEUBV 165 " --> pdb=" O GLYBV 162 " (cutoff:3.500A) No H-bonds generated for 'chain 'BV' and resid 160 through 165' Processing helix chain 'U6' and resid 22 through 28 Processing helix chain 'U6' and resid 91 through 100 removed outlier: 5.387A pdb=" N ALAU6 95 " --> pdb=" O ALAU6 91 " (cutoff:3.500A) removed outlier: 3.940A pdb=" N ALAU6 96 " --> pdb=" O ALAU6 92 " (cutoff:3.500A) removed outlier: 5.557A pdb=" N ALAU6 97 " --> pdb=" O ALAU6 93 " (cutoff:3.500A) removed outlier: 4.221A pdb=" N ALAU6 98 " --> pdb=" O ALAU6 94 " (cutoff:3.500A) removed outlier: 5.086A pdb=" N ALAU6 100 " --> pdb=" O ALAU6 96 " (cutoff:3.500A) Processing helix chain 'U6' and resid 123 through 138 removed outlier: 4.190A pdb=" N ALAU6 127 " --> pdb=" O ALAU6 123 " (cutoff:3.500A) removed outlier: 5.105A pdb=" N ALAU6 128 " --> pdb=" O ALAU6 124 " (cutoff:3.500A) removed outlier: 5.310A pdb=" N ALAU6 129 " --> pdb=" O ALAU6 125 " (cutoff:3.500A) removed outlier: 4.422A pdb=" N ALAU6 130 " --> pdb=" O ALAU6 126 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N ALAU6 136 " --> pdb=" O ALAU6 132 " (cutoff:3.500A) removed outlier: 4.470A pdb=" N ALAU6 138 " --> pdb=" O ALAU6 134 " (cutoff:3.500A) Processing helix chain 'U6' and resid 143 through 162 removed outlier: 3.792A pdb=" N ALAU6 148 " --> pdb=" O ALAU6 144 " (cutoff:3.500A) removed outlier: 4.604A pdb=" N ALAU6 149 " --> pdb=" O ALAU6 145 " (cutoff:3.500A) removed outlier: 3.612A pdb=" N ALAU6 150 " --> pdb=" O ALAU6 146 " (cutoff:3.500A) removed outlier: 3.681A pdb=" N ALAU6 152 " --> pdb=" O ALAU6 148 " (cutoff:3.500A) removed outlier: 3.724A pdb=" N ALAU6 154 " --> pdb=" O ALAU6 150 " (cutoff:3.500A) removed outlier: 3.800A pdb=" N ALAU6 155 " --> pdb=" O ALAU6 151 " (cutoff:3.500A) removed outlier: 4.072A pdb=" N ALAU6 156 " --> pdb=" O ALAU6 152 " (cutoff:3.500A) removed outlier: 3.550A pdb=" N ALAU6 157 " --> pdb=" O ALAU6 153 " (cutoff:3.500A) removed outlier: 3.549A pdb=" N ALAU6 159 " --> pdb=" O ALAU6 155 " (cutoff:3.500A) removed outlier: 3.621A pdb=" N ALAU6 162 " --> pdb=" O ALAU6 158 " (cutoff:3.500A) Processing helix chain 'U6' and resid 167 through 185 removed outlier: 4.444A pdb=" N ALAU6 171 " --> pdb=" O ALAU6 167 " (cutoff:3.500A) removed outlier: 3.796A pdb=" N ALAU6 178 " --> pdb=" O ALAU6 174 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N ALAU6 184 " --> pdb=" O ALAU6 180 " (cutoff:3.500A) Processing helix chain 'U1' and resid 21 through 46 removed outlier: 3.678A pdb=" N ALAU1 30 " --> pdb=" O ALAU1 26 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N ALAU1 32 " --> pdb=" O ALAU1 28 " (cutoff:3.500A) removed outlier: 4.113A pdb=" N ALAU1 42 " --> pdb=" O ALAU1 38 " (cutoff:3.500A) removed outlier: 3.760A pdb=" N ALAU1 43 " --> pdb=" O ALAU1 39 " (cutoff:3.500A) Processing helix chain 'U3' and resid 4 through 26 removed outlier: 4.264A pdb=" N ALAU3 8 " --> pdb=" O ALAU3 4 " (cutoff:3.500A) removed outlier: 4.161A pdb=" N ALAU3 11 " --> pdb=" O ALAU3 7 " (cutoff:3.500A) removed outlier: 3.730A pdb=" N ALAU3 13 " --> pdb=" O ALAU3 9 " (cutoff:3.500A) removed outlier: 3.930A pdb=" N ALAU3 14 " --> pdb=" O ALAU3 10 " (cutoff:3.500A) removed outlier: 3.722A pdb=" N ALAU3 16 " --> pdb=" O ALAU3 12 " (cutoff:3.500A) removed outlier: 4.011A pdb=" N ALAU3 19 " --> pdb=" O ALAU3 15 " (cutoff:3.500A) removed outlier: 4.168A pdb=" N ALAU3 23 " --> pdb=" O ALAU3 19 " (cutoff:3.500A) removed outlier: 3.534A pdb=" N ALAU3 24 " --> pdb=" O ALAU3 20 " (cutoff:3.500A) Processing helix chain 'U4' and resid 1 through 20 removed outlier: 3.850A pdb=" N ALAU4 5 " --> pdb=" O ALAU4 1 " (cutoff:3.500A) removed outlier: 3.520A pdb=" N ALAU4 6 " --> pdb=" O ALAU4 2 " (cutoff:3.500A) removed outlier: 3.844A pdb=" N ALAU4 10 " --> pdb=" O ALAU4 6 " (cutoff:3.500A) removed outlier: 4.053A pdb=" N ALAU4 11 " --> pdb=" O ALAU4 7 " (cutoff:3.500A) removed outlier: 5.130A pdb=" N ALAU4 14 " --> pdb=" O ALAU4 10 " (cutoff:3.500A) removed outlier: 4.768A pdb=" N ALAU4 15 " --> pdb=" O ALAU4 11 " (cutoff:3.500A) removed outlier: 5.054A pdb=" N ALAU4 20 " --> pdb=" O ALAU4 16 " (cutoff:3.500A) Processing helix chain 'U4' and resid 28 through 38 removed outlier: 5.436A pdb=" N ALAU4 32 " --> pdb=" O ALAU4 28 " (cutoff:3.500A) removed outlier: 3.833A pdb=" N ALAU4 33 " --> pdb=" O ALAU4 29 " (cutoff:3.500A) removed outlier: 3.747A pdb=" N ALAU4 35 " --> pdb=" O ALAU4 31 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N ALAU4 37 " --> pdb=" O ALAU4 33 " (cutoff:3.500A) removed outlier: 3.570A pdb=" N ALAU4 38 " --> pdb=" O ALAU4 34 " (cutoff:3.500A) Processing helix chain 'U4' and resid 75 through 110 removed outlier: 5.886A pdb=" N ALAU4 79 " --> pdb=" O ALAU4 75 " (cutoff:3.500A) removed outlier: 6.776A pdb=" N ALAU4 82 " --> pdb=" O ALAU4 78 " (cutoff:3.500A) removed outlier: 6.830A pdb=" N ALAU4 83 " --> pdb=" O ALAU4 79 " (cutoff:3.500A) removed outlier: 3.702A pdb=" N ALAU4 84 " --> pdb=" O ALAU4 80 " (cutoff:3.500A) removed outlier: 3.718A pdb=" N ALAU4 85 " --> pdb=" O ALAU4 81 " (cutoff:3.500A) removed outlier: 3.562A pdb=" N ALAU4 86 " --> pdb=" O ALAU4 82 " (cutoff:3.500A) removed outlier: 3.931A pdb=" N ALAU4 87 " --> pdb=" O ALAU4 83 " (cutoff:3.500A) removed outlier: 3.606A pdb=" N ALAU4 90 " --> pdb=" O ALAU4 86 " (cutoff:3.500A) removed outlier: 4.185A pdb=" N ALAU4 96 " --> pdb=" O ALAU4 92 " (cutoff:3.500A) removed outlier: 4.346A pdb=" N ALAU4 97 " --> pdb=" O ALAU4 93 " (cutoff:3.500A) removed outlier: 5.020A pdb=" N ALAU4 98 " --> pdb=" O ALAU4 94 " (cutoff:3.500A) removed outlier: 4.917A pdb=" N ALAU4 99 " --> pdb=" O ALAU4 95 " (cutoff:3.500A) removed outlier: 4.061A pdb=" N ALAU4 100 " --> pdb=" O ALAU4 96 " (cutoff:3.500A) removed outlier: 3.681A pdb=" N ALAU4 107 " --> pdb=" O ALAU4 103 " (cutoff:3.500A) removed outlier: 4.664A pdb=" N ALAU4 109 " --> pdb=" O ALAU4 105 " (cutoff:3.500A) removed outlier: 5.647A pdb=" N ALAU4 110 " --> pdb=" O ALAU4 106 " (cutoff:3.500A) Processing helix chain 'U4' and resid 113 through 136 removed outlier: 3.543A pdb=" N ALAU4 117 " --> pdb=" O ALAU4 113 " (cutoff:3.500A) removed outlier: 3.668A pdb=" N ALAU4 119 " --> pdb=" O ALAU4 115 " (cutoff:3.500A) removed outlier: 3.722A pdb=" N ALAU4 121 " --> pdb=" O ALAU4 117 " (cutoff:3.500A) removed outlier: 4.549A pdb=" N ALAU4 123 " --> pdb=" O ALAU4 119 " (cutoff:3.500A) removed outlier: 3.745A pdb=" N ALAU4 126 " --> pdb=" O ALAU4 122 " (cutoff:3.500A) removed outlier: 3.788A pdb=" N ALAU4 130 " --> pdb=" O ALAU4 126 " (cutoff:3.500A) removed outlier: 3.722A pdb=" N ALAU4 131 " --> pdb=" O ALAU4 127 " (cutoff:3.500A) removed outlier: 3.963A pdb=" N ALAU4 133 " --> pdb=" O ALAU4 129 " (cutoff:3.500A) removed outlier: 3.806A pdb=" N ALAU4 135 " --> pdb=" O ALAU4 131 " (cutoff:3.500A) removed outlier: 3.982A pdb=" N ALAU4 136 " --> pdb=" O ALAU4 132 " (cutoff:3.500A) Processing helix chain 'U4' and resid 53 through 58 removed outlier: 4.161A pdb=" N ALAU4 58 " --> pdb=" O ALAU4 53 " (cutoff:3.500A) No H-bonds generated for 'chain 'U4' and resid 53 through 58' Processing helix chain 'U4' and resid 64 through 69 removed outlier: 4.257A pdb=" N ALAU4 69 " --> pdb=" O ALAU4 64 " (cutoff:3.500A) No H-bonds generated for 'chain 'U4' and resid 64 through 69' Processing helix chain 'U5' and resid 25 through 37 removed outlier: 3.782A pdb=" N ALAU5 31 " --> pdb=" O ALAU5 27 " (cutoff:3.500A) removed outlier: 4.306A pdb=" N ALAU5 32 " --> pdb=" O ALAU5 28 " (cutoff:3.500A) removed outlier: 4.062A pdb=" N ALAU5 33 " --> pdb=" O ALAU5 29 " (cutoff:3.500A) removed outlier: 3.997A pdb=" N ALAU5 34 " --> pdb=" O ALAU5 30 " (cutoff:3.500A) removed outlier: 4.804A pdb=" N ALAU5 35 " --> pdb=" O ALAU5 31 " (cutoff:3.500A) removed outlier: 5.117A pdb=" N ALAU5 36 " --> pdb=" O ALAU5 32 " (cutoff:3.500A) removed outlier: 4.470A pdb=" N ALAU5 37 " --> pdb=" O ALAU5 33 " (cutoff:3.500A) Processing helix chain 'U5' and resid 49 through 69 removed outlier: 5.095A pdb=" N ALAU5 53 " --> pdb=" O ALAU5 49 " (cutoff:3.500A) removed outlier: 3.584A pdb=" N ALAU5 54 " --> pdb=" O ALAU5 50 " (cutoff:3.500A) removed outlier: 3.650A pdb=" N ALAU5 57 " --> pdb=" O ALAU5 53 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ALAU5 59 " --> pdb=" O ALAU5 55 " (cutoff:3.500A) removed outlier: 3.821A pdb=" N ALAU5 61 " --> pdb=" O ALAU5 57 " (cutoff:3.500A) removed outlier: 4.251A pdb=" N ALAU5 64 " --> pdb=" O ALAU5 60 " (cutoff:3.500A) removed outlier: 4.032A pdb=" N ALAU5 66 " --> pdb=" O ALAU5 62 " (cutoff:3.500A) removed outlier: 3.803A pdb=" N ALAU5 67 " --> pdb=" O ALAU5 63 " (cutoff:3.500A) removed outlier: 4.361A pdb=" N ALAU5 68 " --> pdb=" O ALAU5 64 " (cutoff:3.500A) removed outlier: 4.332A pdb=" N ALAU5 69 " --> pdb=" O ALAU5 65 " (cutoff:3.500A) Processing helix chain 'BR' and resid 72 through 82 removed outlier: 3.590A pdb=" N LEUBR 77 " --> pdb=" O ARGBR 73 " (cutoff:3.500A) removed outlier: 4.476A pdb=" N ILEBR 78 " --> pdb=" O ALABR 74 " (cutoff:3.500A) removed outlier: 4.082A pdb=" N ALABR 81 " --> pdb=" O LEUBR 77 " (cutoff:3.500A) removed outlier: 3.570A pdb=" N METBR 82 " --> pdb=" O ILEBR 78 " (cutoff:3.500A) Processing helix chain 'BR' and resid 99 through 115 Proline residue: BR 105 - end of helix removed outlier: 3.940A pdb=" N GLNBR 109 " --> pdb=" O PROBR 105 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N VALBR 111 " --> pdb=" O LEUBR 107 " (cutoff:3.500A) Processing helix chain 'BR' and resid 116 through 125 removed outlier: 3.587A pdb=" N LYSBR 122 " --> pdb=" O THRBR 118 " (cutoff:3.500A) Processing helix chain 'BR' and resid 131 through 153 removed outlier: 3.598A pdb=" N ALABR 141 " --> pdb=" O GLNBR 137 " (cutoff:3.500A) removed outlier: 3.550A pdb=" N ARGBR 143 " --> pdb=" O ALABR 139 " (cutoff:3.500A) removed outlier: 3.740A pdb=" N LEUBR 144 " --> pdb=" O ASPBR 140 " (cutoff:3.500A) removed outlier: 3.531A pdb=" N ARGBR 146 " --> pdb=" O HISBR 142 " (cutoff:3.500A) removed outlier: 4.026A pdb=" N PHEBR 147 " --> pdb=" O ARGBR 143 " (cutoff:3.500A) removed outlier: 3.668A pdb=" N GLNBR 150 " --> pdb=" O ARGBR 146 " (cutoff:3.500A) Processing helix chain 'BR' and resid 154 through 161 removed outlier: 4.087A pdb=" N ASPBR 158 " --> pdb=" O GLYBR 154 " (cutoff:3.500A) removed outlier: 3.548A pdb=" N SERBR 159 " --> pdb=" O LEUBR 155 " (cutoff:3.500A) removed outlier: 4.389A pdb=" N ALABR 161 " --> pdb=" O GLUBR 157 " (cutoff:3.500A) Processing helix chain 'BR' and resid 164 through 179 removed outlier: 4.558A pdb=" N GLNBR 170 " --> pdb=" O PROBR 166 " (cutoff:3.500A) removed outlier: 4.154A pdb=" N TRPBR 171 " --> pdb=" O TYRBR 167 " (cutoff:3.500A) Proline residue: BR 172 - end of helix removed outlier: 4.395A pdb=" N PHEBR 175 " --> pdb=" O TRPBR 171 " (cutoff:3.500A) removed outlier: 3.988A pdb=" N GLNBR 176 " --> pdb=" O PROBR 172 " (cutoff:3.500A) removed outlier: 4.799A pdb=" N ARGBR 177 " --> pdb=" O ALABR 173 " (cutoff:3.500A) removed outlier: 3.508A pdb=" N ALABR 178 " --> pdb=" O LEUBR 174 " (cutoff:3.500A) Processing helix chain 'BR' and resid 239 through 265 removed outlier: 3.820A pdb=" N ARGBR 243 " --> pdb=" O ALABR 239 " (cutoff:3.500A) removed outlier: 3.663A pdb=" N GLNBR 246 " --> pdb=" O PROBR 242 " (cutoff:3.500A) removed outlier: 3.521A pdb=" N CYSBR 254 " --> pdb=" O HISBR 250 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N GLUBR 263 " --> pdb=" O LEUBR 259 " (cutoff:3.500A) removed outlier: 4.326A pdb=" N HISBR 264 " --> pdb=" O GLYBR 260 " (cutoff:3.500A) Processing helix chain 'BR' and resid 276 through 297 removed outlier: 4.295A pdb=" N VALBR 280 " --> pdb=" O SERBR 276 " (cutoff:3.500A) removed outlier: 7.124A pdb=" N THRBR 281 " --> pdb=" O ARGBR 277 " (cutoff:3.500A) removed outlier: 3.677A pdb=" N ALABR 291 " --> pdb=" O ARGBR 287 " (cutoff:3.500A) removed outlier: 3.994A pdb=" N LEUBR 293 " --> pdb=" O GLNBR 289 " (cutoff:3.500A) removed outlier: 3.687A pdb=" N LEUBR 294 " --> pdb=" O TRPBR 290 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N SERBR 295 " --> pdb=" O ALABR 291 " (cutoff:3.500A) removed outlier: 3.865A pdb=" N TRPBR 296 " --> pdb=" O SERBR 292 " (cutoff:3.500A) Processing helix chain 'BR' and resid 60 through 65 removed outlier: 3.671A pdb=" N THRBR 65 " --> pdb=" O SERBR 62 " (cutoff:3.500A) Processing helix chain 'U2' and resid 16 through 23 removed outlier: 6.306A pdb=" N ALAU2 20 " --> pdb=" O ALAU2 16 " (cutoff:3.500A) removed outlier: 4.691A pdb=" N ALAU2 21 " --> pdb=" O ALAU2 17 " (cutoff:3.500A) removed outlier: 3.548A pdb=" N ALAU2 22 " --> pdb=" O ALAU2 18 " (cutoff:3.500A) removed outlier: 4.593A pdb=" N ALAU2 23 " --> pdb=" O ALAU2 19 " (cutoff:3.500A) No H-bonds generated for 'chain 'U2' and resid 16 through 23' Processing sheet with id= 1, first strand: chain 'A' and resid 132 through 136 removed outlier: 7.126A pdb=" N TYR A 329 " --> pdb=" O GLN A 242 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N GLN A 242 " --> pdb=" O TYR A 329 " (cutoff:3.500A) Processing sheet with id= 2, first strand: chain 'A' and resid 139 through 144 removed outlier: 5.827A pdb=" N SER A 314 " --> pdb=" O PHE A 158 " (cutoff:3.500A) removed outlier: 3.516A pdb=" N ARG A 308 " --> pdb=" O TYR A 317 " (cutoff:3.500A) removed outlier: 7.090A pdb=" N GLY A 372 " --> pdb=" O TYR A 311 " (cutoff:3.500A) Processing sheet with id= 3, first strand: chain 'A' and resid 165 through 169 removed outlier: 3.813A pdb=" N LYS A 165 " --> pdb=" O TYR A 179 " (cutoff:3.500A) removed outlier: 3.997A pdb=" N ARG A 169 " --> pdb=" O THR A 175 " (cutoff:3.500A) removed outlier: 6.669A pdb=" N THR A 175 " --> pdb=" O ARG A 169 " (cutoff:3.500A) removed outlier: 6.918A pdb=" N TYR A 179 " --> pdb=" O VAL A 164 " (cutoff:3.500A) removed outlier: 3.653A pdb=" N GLN A 162 " --> pdb=" O GLY A 181 " (cutoff:3.500A) removed outlier: 4.620A pdb=" N ASN A 161 " --> pdb=" O LEU A 226 " (cutoff:3.500A) removed outlier: 3.866A pdb=" N ILE A 163 " --> pdb=" O THR A 224 " (cutoff:3.500A) removed outlier: 4.445A pdb=" N THR A 224 " --> pdb=" O ILE A 163 " (cutoff:3.500A) Processing sheet with id= 4, first strand: chain 'A' and resid 176 through 182 removed outlier: 4.222A pdb=" N ASP A 176 " --> pdb=" O VAL A 214 " (cutoff:3.500A) removed outlier: 3.602A pdb=" N ALA A 210 " --> pdb=" O VAL A 180 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N VAL A 208 " --> pdb=" O ALA A 182 " (cutoff:3.500A) Processing sheet with id= 5, first strand: chain 'A' and resid 235 through 238 removed outlier: 5.213A pdb=" N GLN A 235 " --> pdb=" O VAL A 306 " (cutoff:3.500A) Processing sheet with id= 6, first strand: chain 'B' and resid 71 through 74 removed outlier: 4.259A pdb=" N HIS B 103 " --> pdb=" O VAL B 94 " (cutoff:3.500A) removed outlier: 4.626A pdb=" N ILE B 90 " --> pdb=" O LEU B 107 " (cutoff:3.500A) Processing sheet with id= 7, first strand: chain 'B' and resid 212 through 215 Processing sheet with id= 8, first strand: chain 'B' and resid 410 through 415 removed outlier: 4.234A pdb=" N THR B 420 " --> pdb=" O ASP B 415 " (cutoff:3.500A) Processing sheet with id= 9, first strand: chain 'C' and resid 113 through 117 removed outlier: 3.874A pdb=" N GLU C 135 " --> pdb=" O PHE C 117 " (cutoff:3.500A) Processing sheet with id= 10, first strand: chain 'E' and resid 51 through 58 removed outlier: 3.880A pdb=" N HIS E 51 " --> pdb=" O VAL E 106 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N VAL E 106 " --> pdb=" O HIS E 51 " (cutoff:3.500A) removed outlier: 4.093A pdb=" N ILE E 101 " --> pdb=" O GLU E 117 " (cutoff:3.500A) removed outlier: 3.688A pdb=" N ARG E 103 " --> pdb=" O ARG E 115 " (cutoff:3.500A) removed outlier: 3.521A pdb=" N GLN E 105 " --> pdb=" O ILE E 113 " (cutoff:3.500A) removed outlier: 4.024A pdb=" N SER E 111 " --> pdb=" O TYR E 107 " (cutoff:3.500A) Processing sheet with id= 11, first strand: chain 'F' and resid 12 through 17 removed outlier: 3.501A pdb=" N THR F 55 " --> pdb=" O LEU F 16 " (cutoff:3.500A) Processing sheet with id= 12, first strand: chain 'F' and resid 72 through 76 removed outlier: 3.713A pdb=" N VAL F 85 " --> pdb=" O ILE F 72 " (cutoff:3.500A) removed outlier: 3.805A pdb=" N THR F 76 " --> pdb=" O GLY F 81 " (cutoff:3.500A) removed outlier: 5.544A pdb=" N GLY F 81 " --> pdb=" O THR F 76 " (cutoff:3.500A) Processing sheet with id= 13, first strand: chain 'I' and resid 82 through 86 removed outlier: 5.051A pdb=" N MET I 160 " --> pdb=" O LEU I 149 " (cutoff:3.500A) removed outlier: 9.237A pdb=" N TYR I 143 " --> pdb=" O LYS I 166 " (cutoff:3.500A) Processing sheet with id= 14, first strand: chain 'J' and resid 67 through 73 removed outlier: 4.959A pdb=" N VAL J 68 " --> pdb=" O PHE J 61 " (cutoff:3.500A) removed outlier: 4.383A pdb=" N PHE J 61 " --> pdb=" O VAL J 68 " (cutoff:3.500A) removed outlier: 6.158A pdb=" N LEU J 70 " --> pdb=" O CYS J 59 " (cutoff:3.500A) removed outlier: 3.890A pdb=" N CYS J 59 " --> pdb=" O LEU J 70 " (cutoff:3.500A) removed outlier: 5.741A pdb=" N GLU J 113 " --> pdb=" O THR J 58 " (cutoff:3.500A) removed outlier: 3.541A pdb=" N ASN J 60 " --> pdb=" O LYS J 111 " (cutoff:3.500A) removed outlier: 6.426A pdb=" N LYS J 111 " --> pdb=" O ASN J 60 " (cutoff:3.500A) Processing sheet with id= 15, first strand: chain 'J' and resid 87 through 91 removed outlier: 3.581A pdb=" N LEU J 88 " --> pdb=" O ILE J 103 " (cutoff:3.500A) removed outlier: 6.442A pdb=" N ILE J 103 " --> pdb=" O LEU J 88 " (cutoff:3.500A) Processing sheet with id= 16, first strand: chain 'L' and resid 31 through 34 removed outlier: 3.943A pdb=" N MET L 60 " --> pdb=" O VAL L 24 " (cutoff:3.500A) removed outlier: 6.158A pdb=" N LEU L 59 " --> pdb=" O GLY L 70 " (cutoff:3.500A) removed outlier: 3.661A pdb=" N GLY L 70 " --> pdb=" O LEU L 59 " (cutoff:3.500A) Processing sheet with id= 17, first strand: chain 'L' and resid 38 through 43 removed outlier: 4.349A pdb=" N ASP L 38 " --> pdb=" O ILE L 118 " (cutoff:3.500A) removed outlier: 3.508A pdb=" N ILE L 40 " --> pdb=" O LEU L 116 " (cutoff:3.500A) removed outlier: 6.438A pdb=" N ILE L 115 " --> pdb=" O GLU L 84 " (cutoff:3.500A) removed outlier: 7.012A pdb=" N THR L 80 " --> pdb=" O ARG L 119 " (cutoff:3.500A) removed outlier: 4.982A pdb=" N VAL L 79 " --> pdb=" O LEU L 55 " (cutoff:3.500A) removed outlier: 4.385A pdb=" N SER L 51 " --> pdb=" O VAL L 83 " (cutoff:3.500A) Processing sheet with id= 18, first strand: chain 'L' and resid 77 through 80 removed outlier: 3.540A pdb=" N GLU L 120 " --> pdb=" O THR L 80 " (cutoff:3.500A) Processing sheet with id= 19, first strand: chain 'L' and resid 85 through 88 removed outlier: 3.555A pdb=" N GLU L 85 " --> pdb=" O ILE L 115 " (cutoff:3.500A) Processing sheet with id= 20, first strand: chain 'L' and resid 91 through 97 removed outlier: 3.635A pdb=" N ALA L 109 " --> pdb=" O VAL L 92 " (cutoff:3.500A) Processing sheet with id= 21, first strand: chain 'M' and resid 81 through 86 removed outlier: 7.363A pdb=" N ASN M 81 " --> pdb=" O ARG M 96 " (cutoff:3.500A) Processing sheet with id= 22, first strand: chain 'M' and resid 131 through 137 removed outlier: 6.699A pdb=" N THR M 234 " --> pdb=" O ALA M 200 " (cutoff:3.500A) removed outlier: 5.322A pdb=" N HIS M 196 " --> pdb=" O ASP M 238 " (cutoff:3.500A) Processing sheet with id= 23, first strand: chain 'M' and resid 207 through 216 No H-bonds generated for sheet with id= 23 Processing sheet with id= 24, first strand: chain 'N' and resid 165 through 169 removed outlier: 3.528A pdb=" N PHE N 168 " --> pdb=" O ALA N 221 " (cutoff:3.500A) Processing sheet with id= 25, first strand: chain 'O' and resid 141 through 145 removed outlier: 3.626A pdb=" N VAL O 142 " --> pdb=" O GLY O 154 " (cutoff:3.500A) removed outlier: 4.616A pdb=" N GLN O 152 " --> pdb=" O VAL O 144 " (cutoff:3.500A) Processing sheet with id= 26, first strand: chain 'O' and resid 157 through 161 removed outlier: 3.537A pdb=" N ALA O 158 " --> pdb=" O LEU O 167 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N GLU O 165 " --> pdb=" O VAL O 160 " (cutoff:3.500A) Processing sheet with id= 27, first strand: chain 'O' and resid 172 through 180 removed outlier: 6.113A pdb=" N ASN O 172 " --> pdb=" O HIS O 193 " (cutoff:3.500A) removed outlier: 4.493A pdb=" N ALA O 180 " --> pdb=" O PRO O 185 " (cutoff:3.500A) Processing sheet with id= 28, first strand: chain 'O' and resid 230 through 233 removed outlier: 3.736A pdb=" N SER O 232 " --> pdb=" O ALA O 237 " (cutoff:3.500A) removed outlier: 4.724A pdb=" N ALA O 237 " --> pdb=" O SER O 232 " (cutoff:3.500A) Processing sheet with id= 29, first strand: chain 'Q' and resid 82 through 89 removed outlier: 6.732A pdb=" N HIS Q 94 " --> pdb=" O SER Q 89 " (cutoff:3.500A) Processing sheet with id= 30, first strand: chain 'R' and resid 171 through 177 removed outlier: 3.649A pdb=" N LYS R 172 " --> pdb=" O THR R 335 " (cutoff:3.500A) removed outlier: 3.533A pdb=" N SER R 139 " --> pdb=" O TYR R 336 " (cutoff:3.500A) removed outlier: 3.529A pdb=" N SER R 360 " --> pdb=" O VAL R 144 " (cutoff:3.500A) Processing sheet with id= 31, first strand: chain 'S' and resid 288 through 292 removed outlier: 3.589A pdb=" N ILE S 259 " --> pdb=" O ASP S 311 " (cutoff:3.500A) removed outlier: 6.934A pdb=" N VAL S 307 " --> pdb=" O ILE S 263 " (cutoff:3.500A) Processing sheet with id= 32, first strand: chain 'V' and resid 45 through 48 removed outlier: 4.810A pdb=" N TYR V 79 " --> pdb=" O GLY V 59 " (cutoff:3.500A) Processing sheet with id= 33, first strand: chain 'BA' and resid 87 through 90 removed outlier: 3.593A pdb=" N LEUBA 90 " --> pdb=" O ASPBA 70 " (cutoff:3.500A) removed outlier: 3.696A pdb=" N ILEBA 69 " --> pdb=" O PHEBA 114 " (cutoff:3.500A) Processing sheet with id= 34, first strand: chain 'CA' and resid 72 through 76 removed outlier: 3.743A pdb=" N LEUCA 73 " --> pdb=" O ALACA 603 " (cutoff:3.500A) Processing sheet with id= 35, first strand: chain 'CA' and resid 113 through 118 removed outlier: 6.956A pdb=" N LYSCA 113 " --> pdb=" O GLNCA 136 " (cutoff:3.500A) Processing sheet with id= 36, first strand: chain 'CA' and resid 223 through 228 removed outlier: 5.918A pdb=" N ARGCA 156 " --> pdb=" O ARGCA 228 " (cutoff:3.500A) removed outlier: 4.482A pdb=" N VALCA 197 " --> pdb=" O ALACA 84 " (cutoff:3.500A) removed outlier: 6.499A pdb=" N GLYCA 201 " --> pdb=" O GLUCA 88 " (cutoff:3.500A) removed outlier: 8.252A pdb=" N ASPCA 90 " --> pdb=" O GLYCA 201 " (cutoff:3.500A) removed outlier: 14.082A pdb=" N ALACA 203 " --> pdb=" O ASPCA 90 " (cutoff:3.500A) removed outlier: 5.787A pdb=" N ASPCA 83 " --> pdb=" O LEUCA 251 " (cutoff:3.500A) removed outlier: 3.616A pdb=" N HISCA 85 " --> pdb=" O ARGCA 249 " (cutoff:3.500A) removed outlier: 4.642A pdb=" N SERCA 583 " --> pdb=" O LEUCA 522 " (cutoff:3.500A) removed outlier: 3.823A pdb=" N ALACA 520 " --> pdb=" O ALACA 585 " (cutoff:3.500A) removed outlier: 6.529A pdb=" N ALACA 587 " --> pdb=" O GLNCA 518 " (cutoff:3.500A) removed outlier: 4.650A pdb=" N GLNCA 518 " --> pdb=" O ALACA 587 " (cutoff:3.500A) Processing sheet with id= 37, first strand: chain 'CA' and resid 529 through 532 removed outlier: 3.701A pdb=" N ALACA 530 " --> pdb=" O ARGCA 556 " (cutoff:3.500A) removed outlier: 3.942A pdb=" N ARGCA 556 " --> pdb=" O ALACA 530 " (cutoff:3.500A) removed outlier: 4.335A pdb=" N ARGCA 554 " --> pdb=" O LYSCA 532 " (cutoff:3.500A) Processing sheet with id= 38, first strand: chain 'BB' and resid 65 through 69 removed outlier: 5.540A pdb=" N ARGBB 65 " --> pdb=" O GLNBB 77 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N GLUBB 73 " --> pdb=" O SERBB 69 " (cutoff:3.500A) Processing sheet with id= 39, first strand: chain 'CB' and resid 67 through 72 removed outlier: 5.337A pdb=" N ASPCB 67 " --> pdb=" O THRCB 87 " (cutoff:3.500A) removed outlier: 5.122A pdb=" N THRCB 87 " --> pdb=" O ASPCB 67 " (cutoff:3.500A) removed outlier: 4.090A pdb=" N ILECB 130 " --> pdb=" O VALCB 127 " (cutoff:3.500A) Processing sheet with id= 40, first strand: chain 'BK' and resid 158 through 162 removed outlier: 6.463A pdb=" N GLYBK 158 " --> pdb=" O ASPBK 174 " (cutoff:3.500A) removed outlier: 4.451A pdb=" N HISBK 160 " --> pdb=" O GLYBK 172 " (cutoff:3.500A) removed outlier: 6.386A pdb=" N VALBK 170 " --> pdb=" O HISBK 162 " (cutoff:3.500A) Processing sheet with id= 41, first strand: chain 'BK' and resid 234 through 238 removed outlier: 3.829A pdb=" N ALABK 235 " --> pdb=" O VALBK 246 " (cutoff:3.500A) Processing sheet with id= 42, first strand: chain 'BK' and resid 667 through 671 removed outlier: 3.528A pdb=" N ALABK 668 " --> pdb=" O ASNBK 639 " (cutoff:3.500A) removed outlier: 3.849A pdb=" N PHEBK 641 " --> pdb=" O ALABK 668 " (cutoff:3.500A) Processing sheet with id= 43, first strand: chain 'BQ' and resid 403 through 406 Processing sheet with id= 44, first strand: chain 'BN' and resid 150 through 153 removed outlier: 3.877A pdb=" N GLUBN 204 " --> pdb=" O GLYBN 153 " (cutoff:3.500A) removed outlier: 3.533A pdb=" N PHEBN 121 " --> pdb=" O THRBN 201 " (cutoff:3.500A) removed outlier: 4.009A pdb=" N CYSBN 117 " --> pdb=" O VALBN 205 " (cutoff:3.500A) removed outlier: 3.506A pdb=" N GLUBN 301 " --> pdb=" O VALBN 118 " (cutoff:3.500A) Processing sheet with id= 45, first strand: chain 'BN' and resid 155 through 158 removed outlier: 7.380A pdb=" N ARGBN 200 " --> pdb=" O ALABN 158 " (cutoff:3.500A) Processing sheet with id= 46, first strand: chain 'BO' and resid 124 through 127 removed outlier: 4.478A pdb=" N ASNBO 124 " --> pdb=" O VALBO 101 " (cutoff:3.500A) removed outlier: 5.994A pdb=" N ALABO 81 " --> pdb=" O VALBO 64 " (cutoff:3.500A) removed outlier: 5.104A pdb=" N VALBO 64 " --> pdb=" O ALABO 81 " (cutoff:3.500A) removed outlier: 7.210A pdb=" N ASNBO 150 " --> pdb=" O LYSBO 65 " (cutoff:3.500A) Processing sheet with id= 47, first strand: chain 'Ae' and resid 221 through 224 removed outlier: 4.259A pdb=" N SERAe 240 " --> pdb=" O TRPAe 236 " (cutoff:3.500A) Processing sheet with id= 48, first strand: chain 'Ap' and resid 24 through 27 removed outlier: 4.699A pdb=" N LYSAp 27 " --> pdb=" O METAp 198 " (cutoff:3.500A) removed outlier: 6.796A pdb=" N TYRAp 200 " --> pdb=" O LYSAp 27 " (cutoff:3.500A) removed outlier: 3.696A pdb=" N ARGAp 195 " --> pdb=" O SERAp 219 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N ASPAp 199 " --> pdb=" O TRPAp 215 " (cutoff:3.500A) Processing sheet with id= 49, first strand: chain 'Ap' and resid 108 through 113 removed outlier: 6.859A pdb=" N PHEAp 108 " --> pdb=" O THRAp 125 " (cutoff:3.500A) removed outlier: 4.257A pdb=" N HISAp 123 " --> pdb=" O SERAp 110 " (cutoff:3.500A) Processing sheet with id= 50, first strand: chain 'Al' and resid 166 through 173 removed outlier: 3.519A pdb=" N TYRAl 131 " --> pdb=" O GLUAl 170 " (cutoff:3.500A) removed outlier: 3.869A pdb=" N SERAl 126 " --> pdb=" O HISAl 184 " (cutoff:3.500A) removed outlier: 3.918A pdb=" N VALAl 183 " --> pdb=" O LYSAl 191 " (cutoff:3.500A) removed outlier: 3.750A pdb=" N CYSAl 185 " --> pdb=" O THRAl 189 " (cutoff:3.500A) removed outlier: 3.854A pdb=" N THRAl 189 " --> pdb=" O CYSAl 185 " (cutoff:3.500A) Processing sheet with id= 51, first strand: chain 'Ab' and resid 43 through 50 removed outlier: 3.505A pdb=" N ILEAb 12 " --> pdb=" O LYSAb 44 " (cutoff:3.500A) removed outlier: 4.724A pdb=" N SERAb 15 " --> pdb=" O SERAb 56 " (cutoff:3.500A) removed outlier: 5.708A pdb=" N SERAb 56 " --> pdb=" O SERAb 15 " (cutoff:3.500A) removed outlier: 6.740A pdb=" N SERAb 55 " --> pdb=" O ILEAb 71 " (cutoff:3.500A) removed outlier: 3.525A pdb=" N ILEAb 71 " --> pdb=" O SERAb 55 " (cutoff:3.500A) removed outlier: 3.990A pdb=" N SERAb 65 " --> pdb=" O TYRAb 61 " (cutoff:3.500A) Processing sheet with id= 52, first strand: chain 'Aa' and resid 97 through 100 removed outlier: 5.031A pdb=" N GLYAa 104 " --> pdb=" O LEUAa 100 " (cutoff:3.500A) Processing sheet with id= 53, first strand: chain 'Az' and resid 77 through 80 removed outlier: 3.638A pdb=" N ASPAz 80 " --> pdb=" O TYRAz 84 " (cutoff:3.500A) removed outlier: 4.670A pdb=" N TYRAz 84 " --> pdb=" O ASPAz 80 " (cutoff:3.500A) Processing sheet with id= 54, first strand: chain 'Am' and resid 74 through 77 removed outlier: 3.562A pdb=" N PHEAm 75 " --> pdb=" O GLUAm 83 " (cutoff:3.500A) removed outlier: 4.342A pdb=" N ASNAm 81 " --> pdb=" O ASNAm 77 " (cutoff:3.500A) Processing sheet with id= 55, first strand: chain 'BG' and resid 1282 through 1286 Processing sheet with id= 56, first strand: chain 'Ad' and resid 155 through 158 removed outlier: 5.450A pdb=" N ASNAd 187 " --> pdb=" O HISAd 158 " (cutoff:3.500A) Processing sheet with id= 57, first strand: chain 'Ad' and resid 166 through 172 removed outlier: 5.309A pdb=" N ALAAd 180 " --> pdb=" O METAd 172 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N VALAd 217 " --> pdb=" O METAd 183 " (cutoff:3.500A) removed outlier: 3.540A pdb=" N VALAd 215 " --> pdb=" O ILEAd 185 " (cutoff:3.500A) removed outlier: 4.283A pdb=" N LYSAd 207 " --> pdb=" O TYRAd 218 " (cutoff:3.500A) Processing sheet with id= 58, first strand: chain 'Aw' and resid 163 through 168 removed outlier: 6.379A pdb=" N ARGAw 163 " --> pdb=" O ARGAw 177 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N ILEAw 173 " --> pdb=" O GLUAw 167 " (cutoff:3.500A) Processing sheet with id= 59, first strand: chain 'BH' and resid 78 through 81 removed outlier: 4.473A pdb=" N THRBH 79 " --> pdb=" O ILEBH 189 " (cutoff:3.500A) removed outlier: 5.007A pdb=" N ALABH 187 " --> pdb=" O PHEBH 81 " (cutoff:3.500A) removed outlier: 6.458A pdb=" N ASPBH 32 " --> pdb=" O SERBH 190 " (cutoff:3.500A) removed outlier: 6.599A pdb=" N SERBH 44 " --> pdb=" O LEUBH 163 " (cutoff:3.500A) Processing sheet with id= 60, first strand: chain 'BH' and resid 89 through 93 removed outlier: 3.563A pdb=" N METBH 90 " --> pdb=" O PHEBH 144 " (cutoff:3.500A) removed outlier: 4.361A pdb=" N PHEBH 142 " --> pdb=" O GLYBH 92 " (cutoff:3.500A) removed outlier: 4.264A pdb=" N GLNBH 141 " --> pdb=" O ALABH 131 " (cutoff:3.500A) removed outlier: 4.434A pdb=" N THRBH 127 " --> pdb=" O ASNBH 145 " (cutoff:3.500A) Processing sheet with id= 61, first strand: chain 'BH' and resid 28 through 32 removed outlier: 7.151A pdb=" N VALBH 28 " --> pdb=" O SERBH 195 " (cutoff:3.500A) removed outlier: 3.555A pdb=" N ASPBH 191 " --> pdb=" O ASPBH 32 " (cutoff:3.500A) Processing sheet with id= 62, first strand: chain 'Ar' and resid 20 through 23 No H-bonds generated for sheet with id= 62 Processing sheet with id= 63, first strand: chain 'Ar' and resid 108 through 114 removed outlier: 3.750A pdb=" N ARGAr 113 " --> pdb=" O ARGAr 196 " (cutoff:3.500A) Processing sheet with id= 64, first strand: chain 'Av' and resid 30 through 33 removed outlier: 7.470A pdb=" N GLYAv 83 " --> pdb=" O VALAv 33 " (cutoff:3.500A) Processing sheet with id= 65, first strand: chain 'BM' and resid 12 through 15 removed outlier: 4.342A pdb=" N ALABM 12 " --> pdb=" O LEUBM 23 " (cutoff:3.500A) Processing sheet with id= 66, first strand: chain 'Bl' and resid 159 through 163 removed outlier: 4.371A pdb=" N LEUBl 197 " --> pdb=" O LEUBl 215 " (cutoff:3.500A) Processing sheet with id= 67, first strand: chain 'Bl' and resid 231 through 234 removed outlier: 6.237A pdb=" N THRBl 97 " --> pdb=" O VALBl 234 " (cutoff:3.500A) removed outlier: 4.149A pdb=" N HISBl 94 " --> pdb=" O ILEBl 86 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N ILEBl 86 " --> pdb=" O HISBl 94 " (cutoff:3.500A) removed outlier: 3.519A pdb=" N VALBl 96 " --> pdb=" O METBl 84 " (cutoff:3.500A) removed outlier: 3.521A pdb=" N HISBl 81 " --> pdb=" O LEUBl 266 " (cutoff:3.500A) Processing sheet with id= 68, first strand: chain 'Ax' and resid 120 through 124 Processing sheet with id= 69, first strand: chain 'BY' and resid 105 through 109 removed outlier: 6.366A pdb=" N ASPBY 168 " --> pdb=" O ARGBY 125 " (cutoff:3.500A) Processing sheet with id= 70, first strand: chain 'BY' and resid 244 through 249 removed outlier: 3.929A pdb=" N ILEBY 217 " --> pdb=" O PROBY 245 " (cutoff:3.500A) removed outlier: 4.134A pdb=" N ALABY 216 " --> pdb=" O ARGBY 189 " (cutoff:3.500A) removed outlier: 3.730A pdb=" N THRBY 220 " --> pdb=" O LEUBY 193 " (cutoff:3.500A) removed outlier: 3.577A pdb=" N VALBY 296 " --> pdb=" O VALBY 190 " (cutoff:3.500A) removed outlier: 3.703A pdb=" N ASPBY 194 " --> pdb=" O SERBY 298 " (cutoff:3.500A) Processing sheet with id= 71, first strand: chain 'BY' and resid 272 through 276 removed outlier: 5.629A pdb=" N ALABY 315 " --> pdb=" O PROBY 272 " (cutoff:3.500A) removed outlier: 4.075A pdb=" N CYSBY 274 " --> pdb=" O ALABY 315 " (cutoff:3.500A) Processing sheet with id= 72, first strand: chain 'BX' and resid 105 through 109 Processing sheet with id= 73, first strand: chain 'BX' and resid 127 through 130 Processing sheet with id= 74, first strand: chain 'BX' and resid 188 through 193 removed outlier: 3.648A pdb=" N VALBX 190 " --> pdb=" O PROBX 302 " (cutoff:3.500A) removed outlier: 5.449A pdb=" N VALBX 192 " --> pdb=" O GLYBX 304 " (cutoff:3.500A) removed outlier: 7.087A pdb=" N VALBX 306 " --> pdb=" O VALBX 192 " (cutoff:3.500A) Processing sheet with id= 75, first strand: chain 'BX' and resid 216 through 219 removed outlier: 3.893A pdb=" N ILEBX 217 " --> pdb=" O PROBX 245 " (cutoff:3.500A) Processing sheet with id= 76, first strand: chain 'BZ' and resid 55 through 59 removed outlier: 4.079A pdb=" N VALBZ 59 " --> pdb=" O VALBZ 118 " (cutoff:3.500A) removed outlier: 5.124A pdb=" N VALBZ 118 " --> pdb=" O VALBZ 59 " (cutoff:3.500A) Processing sheet with id= 77, first strand: chain 'BZ' and resid 174 through 180 removed outlier: 7.599A pdb=" N VALBZ 226 " --> pdb=" O CYSBZ 214 " (cutoff:3.500A) removed outlier: 5.866A pdb=" N VALBZ 212 " --> pdb=" O ALABZ 228 " (cutoff:3.500A) Processing sheet with id= 78, first strand: chain 'BZ' and resid 277 through 280 removed outlier: 5.499A pdb=" N GLNBZ 273 " --> pdb=" O GLYBZ 277 " (cutoff:3.500A) removed outlier: 3.977A pdb=" N GLUBZ 271 " --> pdb=" O ASPBZ 279 " (cutoff:3.500A) removed outlier: 3.598A pdb=" N METBZ 268 " --> pdb=" O GLYBZ 294 " (cutoff:3.500A) removed outlier: 6.079A pdb=" N ILEBZ 295 " --> pdb=" O LEUBZ 316 " (cutoff:3.500A) removed outlier: 3.599A pdb=" N TYRBZ 314 " --> pdb=" O GLUBZ 297 " (cutoff:3.500A) removed outlier: 7.022A pdb=" N PHEBZ 310 " --> pdb=" O ASNBZ 301 " (cutoff:3.500A) removed outlier: 5.980A pdb=" N HISBZ 365 " --> pdb=" O PHEBZ 254 " (cutoff:3.500A) Processing sheet with id= 79, first strand: chain 'BZ' and resid 369 through 373 removed outlier: 5.516A pdb=" N ARGBZ 369 " --> pdb=" O ALABZ 387 " (cutoff:3.500A) removed outlier: 3.525A pdb=" N ILEBZ 371 " --> pdb=" O VALBZ 385 " (cutoff:3.500A) removed outlier: 4.098A pdb=" N VALBZ 383 " --> pdb=" O LEUBZ 373 " (cutoff:3.500A) Processing sheet with id= 80, first strand: chain 'BT' and resid 128 through 133 removed outlier: 3.835A pdb=" N PHEBT 74 " --> pdb=" O VALBT 165 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N ILEBT 78 " --> pdb=" O VALBT 169 " (cutoff:3.500A) removed outlier: 4.961A pdb=" N VALBT 168 " --> pdb=" O TYRBT 229 " (cutoff:3.500A) Processing sheet with id= 81, first strand: chain 'BU' and resid 71 through 77 removed outlier: 4.131A pdb=" N VALBU 72 " --> pdb=" O ASPBU 87 " (cutoff:3.500A) removed outlier: 3.614A pdb=" N PHEBU 83 " --> pdb=" O ALABU 76 " (cutoff:3.500A) removed outlier: 3.812A pdb=" N ALABU 32 " --> pdb=" O ALABU 109 " (cutoff:3.500A) removed outlier: 3.881A pdb=" N VALBU 34 " --> pdb=" O ILEBU 111 " (cutoff:3.500A) removed outlier: 5.701A pdb=" N VALBU 113 " --> pdb=" O VALBU 34 " (cutoff:3.500A) Processing sheet with id= 82, first strand: chain 'BU' and resid 268 through 273 removed outlier: 3.702A pdb=" N ILEBU 281 " --> pdb=" O VALBU 231 " (cutoff:3.500A) removed outlier: 3.603A pdb=" N THRBU 283 " --> pdb=" O ILEBU 233 " (cutoff:3.500A) removed outlier: 5.985A pdb=" N GLYBU 235 " --> pdb=" O THRBU 283 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N GLYBU 285 " --> pdb=" O GLYBU 235 " (cutoff:3.500A) removed outlier: 4.327A pdb=" N ARGBU 236 " --> pdb=" O VALBU 318 " (cutoff:3.500A) removed outlier: 6.391A pdb=" N ASPBU 320 " --> pdb=" O ARGBU 236 " (cutoff:3.500A) removed outlier: 3.577A pdb=" N CYSBU 347 " --> pdb=" O VALBU 317 " (cutoff:3.500A) removed outlier: 3.560A pdb=" N ALABU 348 " --> pdb=" O VALBU 381 " (cutoff:3.500A) Processing sheet with id= 83, first strand: chain 'BU' and resid 438 through 442 removed outlier: 3.882A pdb=" N GLNBU 439 " --> pdb=" O GLNBU 450 " (cutoff:3.500A) removed outlier: 4.535A pdb=" N GLNBU 450 " --> pdb=" O GLNBU 439 " (cutoff:3.500A) removed outlier: 4.361A pdb=" N PHEBU 447 " --> pdb=" O LEUBU 485 " (cutoff:3.500A) removed outlier: 3.530A pdb=" N LEUBU 451 " --> pdb=" O VALBU 489 " (cutoff:3.500A) Processing sheet with id= 84, first strand: chain 'BW' and resid 244 through 248 removed outlier: 3.581A pdb=" N ALABW 197 " --> pdb=" O METBW 248 " (cutoff:3.500A) removed outlier: 3.560A pdb=" N ILEBW 194 " --> pdb=" O TYRBW 269 " (cutoff:3.500A) removed outlier: 3.794A pdb=" N LEUBW 196 " --> pdb=" O ALABW 271 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N ASPBW 273 " --> pdb=" O LEUBW 196 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ALABW 157 " --> pdb=" O THRBW 314 " (cutoff:3.500A) removed outlier: 4.421A pdb=" N ALABW 156 " --> pdb=" O CYSBW 335 " (cutoff:3.500A) Processing sheet with id= 85, first strand: chain 'BW' and resid 347 through 353 removed outlier: 4.127A pdb=" N GLYBW 603 " --> pdb=" O ARGBW 347 " (cutoff:3.500A) removed outlier: 6.249A pdb=" N ASPBW 575 " --> pdb=" O GLUBW 602 " (cutoff:3.500A) Processing sheet with id= 86, first strand: chain 'BV' and resid 137 through 141 removed outlier: 5.870A pdb=" N GLNBV 137 " --> pdb=" O ASPBV 149 " (cutoff:3.500A) removed outlier: 3.902A pdb=" N ASPBV 149 " --> pdb=" O GLNBV 137 " (cutoff:3.500A) removed outlier: 3.614A pdb=" N PHEBV 139 " --> pdb=" O LEUBV 147 " (cutoff:3.500A) removed outlier: 5.105A pdb=" N LEUBV 147 " --> pdb=" O PHEBV 139 " (cutoff:3.500A) removed outlier: 6.156A pdb=" N LEUBV 145 " --> pdb=" O VALBV 141 " (cutoff:3.500A) removed outlier: 3.746A pdb=" N VALBV 148 " --> pdb=" O VALBV 100 " (cutoff:3.500A) removed outlier: 3.734A pdb=" N ARGBV 189 " --> pdb=" O GLUBV 99 " (cutoff:3.500A) removed outlier: 3.734A pdb=" N VALBV 225 " --> pdb=" O TRPBV 192 " (cutoff:3.500A) Processing sheet with id= 87, first strand: chain 'U6' and resid 54 through 62 removed outlier: 4.239A pdb=" N ALAU6 55 " --> pdb=" O ALAU6 48 " (cutoff:3.500A) removed outlier: 3.598A pdb=" N ALAU6 44 " --> pdb=" O ALAU6 59 " (cutoff:3.500A) removed outlier: 3.624A pdb=" N ALAU6 61 " --> pdb=" O ALAU6 42 " (cutoff:3.500A) removed outlier: 3.906A pdb=" N ALAU6 42 " --> pdb=" O ALAU6 61 " (cutoff:3.500A) removed outlier: 4.014A pdb=" N ALAU6 8 " --> pdb=" O ALAU6 45 " (cutoff:3.500A) removed outlier: 3.582A pdb=" N ALAU6 47 " --> pdb=" O ALAU6 6 " (cutoff:3.500A) removed outlier: 5.217A pdb=" N ALAU6 49 " --> pdb=" O ALAU6 4 " (cutoff:3.500A) removed outlier: 6.437A pdb=" N ALAU6 4 " --> pdb=" O ALAU6 49 " (cutoff:3.500A) removed outlier: 3.861A pdb=" N ALAU6 110 " --> pdb=" O ALAU6 5 " (cutoff:3.500A) removed outlier: 3.599A pdb=" N ALAU6 108 " --> pdb=" O ALAU6 7 " (cutoff:3.500A) Processing sheet with id= 88, first strand: chain 'U3' and resid 32 through 39 removed outlier: 4.213A pdb=" N ALAU3 54 " --> pdb=" O ALAU3 34 " (cutoff:3.500A) removed outlier: 3.691A pdb=" N ALAU3 36 " --> pdb=" O ALAU3 52 " (cutoff:3.500A) removed outlier: 5.359A pdb=" N ALAU3 52 " --> pdb=" O ALAU3 36 " (cutoff:3.500A) removed outlier: 4.385A pdb=" N ALAU3 38 " --> pdb=" O ALAU3 50 " (cutoff:3.500A) removed outlier: 5.932A pdb=" N ALAU3 50 " --> pdb=" O ALAU3 38 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N ALAU3 65 " --> pdb=" O ALAU3 51 " (cutoff:3.500A) removed outlier: 4.260A pdb=" N ALAU3 63 " --> pdb=" O ALAU3 53 " (cutoff:3.500A) removed outlier: 4.496A pdb=" N ALAU3 62 " --> pdb=" O ALAU3 73 " (cutoff:3.500A) removed outlier: 4.243A pdb=" N ALAU3 73 " --> pdb=" O ALAU3 62 " (cutoff:3.500A) removed outlier: 3.720A pdb=" N ALAU3 64 " --> pdb=" O ALAU3 71 " (cutoff:3.500A) removed outlier: 4.266A pdb=" N ALAU3 71 " --> pdb=" O ALAU3 64 " (cutoff:3.500A) removed outlier: 4.490A pdb=" N ALAU3 69 " --> pdb=" O ALAU3 66 " (cutoff:3.500A) Processing sheet with id= 89, first strand: chain 'U8' and resid 22 through 25 3442 hydrogen bonds defined for protein. 10206 hydrogen bond angles defined for protein. Restraints generated for nucleic acids: 94 hydrogen bonds 160 hydrogen bond angles 0 basepair planarities 47 basepair parallelities 261 stacking parallelities Total time for adding SS restraints: 65.33 Time building geometry restraints manager: 49.01 seconds NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Histogram of bond lengths: 1.17 - 1.53: 137794 1.53 - 1.89: 6806 1.89 - 2.24: 0 2.24 - 2.60: 0 2.60 - 2.96: 1 Bond restraints: 144601 Sorted by residual: bond pdb=" CE LYS B 194 " pdb=" NZ LYS B 194 " ideal model delta sigma weight residual 1.489 2.957 -1.468 3.00e-02 1.11e+03 2.40e+03 bond pdb=" CD ARGAw 81 " pdb=" NE ARGAw 81 " ideal model delta sigma weight residual 1.458 1.882 -0.424 1.40e-02 5.10e+03 9.16e+02 bond pdb=" NE ARGAw 81 " pdb=" CZ ARGAw 81 " ideal model delta sigma weight residual 1.326 1.567 -0.241 1.10e-02 8.26e+03 4.80e+02 bond pdb=" C6 A 1 106 " pdb=" N1 A 1 106 " ideal model delta sigma weight residual 1.351 1.786 -0.435 2.00e-02 2.50e+03 4.72e+02 bond pdb=" N1 A 1 106 " pdb=" C2 A 1 106 " ideal model delta sigma weight residual 1.339 1.771 -0.432 2.00e-02 2.50e+03 4.66e+02 ... (remaining 144596 not shown) Histogram of bond angle deviations from ideal: 92.94 - 105.14: 6647 105.14 - 117.34: 102073 117.34 - 129.54: 89678 129.54 - 141.75: 1658 141.75 - 153.95: 2 Bond angle restraints: 200058 Sorted by residual: angle pdb=" N PROBX 272 " pdb=" CA PROBX 272 " pdb=" C PROBX 272 " ideal model delta sigma weight residual 113.53 143.51 -29.98 1.39e+00 5.18e-01 4.65e+02 angle pdb=" CD ARGAw 81 " pdb=" NE ARGAw 81 " pdb=" CZ ARGAw 81 " ideal model delta sigma weight residual 124.40 153.95 -29.55 1.40e+00 5.10e-01 4.45e+02 angle pdb=" N PRO G 311 " pdb=" CA PRO G 311 " pdb=" C PRO G 311 " ideal model delta sigma weight residual 112.47 135.74 -23.27 2.06e+00 2.36e-01 1.28e+02 angle pdb=" N LEUBX 270 " pdb=" CA LEUBX 270 " pdb=" C LEUBX 270 " ideal model delta sigma weight residual 111.28 100.30 10.98 1.09e+00 8.42e-01 1.02e+02 angle pdb=" N PROAd 123 " pdb=" CA PROAd 123 " pdb=" C PROAd 123 " ideal model delta sigma weight residual 111.03 95.66 15.37 1.54e+00 4.22e-01 9.96e+01 ... (remaining 200053 not shown) Histogram of dihedral angle deviations from ideal: 0.00 - 35.93: 81519 35.93 - 71.85: 3510 71.85 - 107.78: 336 107.78 - 143.71: 62 143.71 - 179.63: 79 Dihedral angle restraints: 85506 sinusoidal: 40398 harmonic: 45108 Sorted by residual: dihedral pdb=" N PROBX 272 " pdb=" C PROBX 272 " pdb=" CA PROBX 272 " pdb=" CB PROBX 272 " ideal model delta harmonic sigma weight residual 115.10 147.27 -32.17 0 2.50e+00 1.60e-01 1.66e+02 dihedral pdb=" C PROBX 272 " pdb=" N PROBX 272 " pdb=" CA PROBX 272 " pdb=" CB PROBX 272 " ideal model delta harmonic sigma weight residual -120.70 -148.29 27.59 0 2.50e+00 1.60e-01 1.22e+02 dihedral pdb=" C4' U 1 591 " pdb=" C3' U 1 591 " pdb=" C2' U 1 591 " pdb=" C1' U 1 591 " ideal model delta sinusoidal sigma weight residual -35.00 35.52 -70.52 1 8.00e+00 1.56e-02 1.00e+02 ... (remaining 85503 not shown) Histogram of chiral volume deviations from ideal: 0.000 - 0.843: 22403 0.843 - 1.687: 2 1.687 - 2.530: 0 2.530 - 3.373: 0 3.373 - 4.217: 1 Chirality restraints: 22406 Sorted by residual: chirality pdb=" CA HIS G 310 " pdb=" N HIS G 310 " pdb=" C HIS G 310 " pdb=" CB HIS G 310 " both_signs ideal model delta sigma weight residual False 2.51 -1.71 4.22 2.00e-01 2.50e+01 4.45e+02 chirality pdb=" CA PROBX 272 " pdb=" N PROBX 272 " pdb=" C PROBX 272 " pdb=" CB PROBX 272 " both_signs ideal model delta sigma weight residual False 2.72 1.07 1.65 2.00e-01 2.50e+01 6.80e+01 chirality pdb=" CA PRO G 311 " pdb=" N PRO G 311 " pdb=" C PRO G 311 " pdb=" CB PRO G 311 " both_signs ideal model delta sigma weight residual False 2.72 1.40 1.32 2.00e-01 2.50e+01 4.35e+01 ... (remaining 22403 not shown) Planarity restraints: 23035 Sorted by residual: delta sigma weight rms_deltas residual plane pdb=" CA PRO Q 23 " -0.030 2.00e-02 2.50e+03 6.13e-02 3.76e+01 pdb=" C PRO Q 23 " 0.106 2.00e-02 2.50e+03 pdb=" O PRO Q 23 " -0.040 2.00e-02 2.50e+03 pdb=" N HIS Q 24 " -0.036 2.00e-02 2.50e+03 delta sigma weight rms_deltas residual plane pdb=" CA ALABZ 202 " 0.021 2.00e-02 2.50e+03 4.38e-02 1.92e+01 pdb=" C ALABZ 202 " -0.076 2.00e-02 2.50e+03 pdb=" O ALABZ 202 " 0.029 2.00e-02 2.50e+03 pdb=" N TRPBZ 203 " 0.026 2.00e-02 2.50e+03 delta sigma weight rms_deltas residual plane pdb=" CA GLNBY 278 " -0.022 2.00e-02 2.50e+03 4.19e-02 1.76e+01 pdb=" C GLNBY 278 " 0.073 2.00e-02 2.50e+03 pdb=" O GLNBY 278 " -0.027 2.00e-02 2.50e+03 pdb=" N ALABY 279 " -0.024 2.00e-02 2.50e+03 ... (remaining 23032 not shown) Histogram of nonbonded interaction distances: 1.16 - 1.91: 13 1.91 - 2.65: 5098 2.65 - 3.40: 195731 3.40 - 4.15: 352576 4.15 - 4.90: 615220 Nonbonded interactions: 1168638 Sorted by model distance: nonbonded pdb=" NZ LYS A 268 " pdb=" CB ALAU8 28 " model vdw 1.157 3.540 nonbonded pdb=" OD1 ASNBZ 377 " pdb=" O ALABZ 379 " model vdw 1.303 3.040 nonbonded pdb=" NE ARGAw 81 " pdb=" N1 A 1 106 " model vdw 1.339 2.600 nonbonded pdb=" C4 UR1 8 " pdb=" O3' UR2 242 " model vdw 1.389 3.260 nonbonded pdb=" OH TYRBK 865 " pdb=" NH1 ARGBN 188 " model vdw 1.667 2.520 ... (remaining 1168633 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 'BX' selection = (chain 'BY' and resid 78 through 349) } ncs_group { reference = chain 'U6' selection = (chain 'UA' and resid 17 through 203) } 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: 3.650 Set stop_for_unknowns flag: 0.000 Assert model is a single copy model: 0.000 Assert all atoms have isotropic ADPs: 0.010 Construct map_model_manager: 0.130 Extract box with map and model: 23.580 Check model and map are aligned: 1.490 Set scattering table: 0.900 Process input model: 325.320 Find NCS groups from input model: 5.780 Set up NCS constraints: 0.590 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: 0.030 Load rotamer database and sin/cos tables:2.540 Set ADP refinement strategy: 0.000 Make a string to write initial .geo file:0.000 Internal consistency checks: 0.000 Total: 364.020 ------------------------------------------------------------------------------- Set refinement monitor ********************** ------------------------------------------------------------------------------- Setup refinement engine *********************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7527 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 : 0.009 1.468 144601 Z= 0.545 Angle : 0.951 29.980 200058 Z= 0.566 Chirality : 0.065 4.217 22406 Planarity : 0.005 0.083 23035 Dihedral : 20.015 179.633 56291 Min Nonbonded Distance : 1.157 Molprobity Statistics. All-atom Clashscore : 23.90 Ramachandran Plot: Outliers : 0.73 % Allowed : 14.99 % Favored : 84.28 % Rotamer Outliers : 8.65 % Cbeta Deviations : 0.29 % Peptide Plane: Cis-proline : 0.43 % Cis-general : 0.08 % 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: -5.47 (0.05), residues: 15214 helix: -4.20 (0.04), residues: 4994 sheet: -3.57 (0.13), residues: 1076 loop : -3.45 (0.06), residues: 9144 *********************** REFINEMENT MACRO_CYCLE 1 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 30428 Ramachandran restraints generated. 15214 Oldfield, 0 Emsley, 15214 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 30428 Ramachandran restraints generated. 15214 Oldfield, 0 Emsley, 15214 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3435 residues out of total 12517 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 1082 poor density : 2353 time to evaluate : 10.872 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 1082 outliers final: 744 residues processed: 3251 average time/residue: 1.2991 time to fit residues: 7298.0738 Evaluate side-chains 2620 residues out of total 12517 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 744 poor density : 1876 time to evaluate : 10.588 Switching outliers to nearest non-outliers revert: symmetry clash outliers start: 744 outliers final: 1 residues processed: 744 average time/residue: 1.0369 time to fit residues: 1489.1024 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=5.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1589 random chunks: chunk 1341 optimal weight: 2.9990 chunk 1204 optimal weight: 9.9990 chunk 668 optimal weight: 10.0000 chunk 411 optimal weight: 6.9990 chunk 812 optimal weight: 20.0000 chunk 643 optimal weight: 0.0570 chunk 1245 optimal weight: 20.0000 chunk 481 optimal weight: 8.9990 chunk 757 optimal weight: 20.0000 chunk 926 optimal weight: 9.9990 chunk 1442 optimal weight: 20.0000 overall best weight: 5.8106 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 109 GLN A 161 ASN A 235 GLN A 249 GLN B 33 HIS B 60 HIS B 124 ASN B 156 ASN ** B 169 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B 170 HIS B 172 HIS B 177 HIS B 200 ASN ** B 226 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 378 GLN C 142 ASN ** C 151 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 192 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** E 93 HIS F 22 GLN F 32 GLN ** F 51 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** F 133 HIS F 135 HIS G 19 GLN G 71 ASN G 89 GLN ** G 199 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** G 202 ASN ** G 259 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** G 319 HIS I 18 HIS I 65 HIS ** I 99 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 120 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 206 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** I 229 HIS ** I 242 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** J 8 ASN J 98 ASN K 128 GLN K 145 HIS L 30 HIS L 111 HIS L 149 ASN M 19 GLN M 29 GLN M 31 HIS M 76 ASN M 230 HIS N 161 ASN ** N 235 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 89 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** O 114 GLN O 164 ASN O 169 GLN O 170 ASN ** O 193 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** O 212 HIS ** O 220 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** O 260 GLN ** Q 32 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 47 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 71 HIS Q 94 HIS ** Q 119 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 175 GLN R 72 GLN R 176 GLN S 287 GLN S 384 HIS S 392 GLN V 106 GLN V 114 ASN Z 70 HIS ** Z 91 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Z 99 HIS BA 91 HIS CA 210 GLN ** CA 221 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** CA 276 ASN CA 303 HIS CA 320 HIS ** CA 329 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** CA 363 HIS CA 562 ASN CA 607 HIS ** CB 58 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** CB 117 GLN CB 170 GLN ** CB 184 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** BK 160 HIS BK 162 HIS BK 189 GLN ** BK 304 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BK 424 GLN BK 457 HIS ** BK 630 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BK 633 HIS BK 639 ASN BK 644 HIS BK 772 HIS BK 802 HIS BK 807 GLN BQ 25 HIS BQ 41 HIS BQ 202 ASN BQ 351 ASN BN 78 ASN BO 49 ASN ** BO 135 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** BO 179 HIS At 26 HIS At 52 GLN ** At 73 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** At 119 HIS At 161 GLN Ae 12 ASN Ae 28 GLN Ae 37 HIS ** Ae 54 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Ae 55 HIS Ae 72 ASN Ae 78 HIS Ae 154 HIS Ae 170 HIS ** Ae 197 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Af 20 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Af 71 HIS Af 77 GLN Af 105 GLN Ah 183 HIS Ah 191 GLN ** Ah 271 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ah 346 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ah 389 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ah 461 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Ap 36 GLN Ap 42 ASN ** Ap 44 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ap 71 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Ap 87 GLN Ap 101 GLN ** Ap 175 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Ap 189 HIS Ap 207 ASN ** Al 162 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Al 190 HIS ** Al 219 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Al 248 ASN Al 293 ASN Al 303 ASN Ab 32 HIS Ab 80 ASN Ab 84 HIS ** Ab 127 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Aa 109 HIS Aa 112 HIS Aa 120 GLN Aa 159 GLN Aa 167 ASN Aa 176 GLN BP -3 HIS ** BP 6 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Az 24 HIS ** Az 25 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Az 31 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Az 39 ASN ** Az 60 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Az 76 HIS Az 107 GLN Az 128 GLN ** Am 148 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Am 152 GLN Am 184 ASN Am 285 HIS Am 315 ASN ** As 54 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** As 94 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** As 147 GLN BG1268 GLN BG1339 ASN Ad 84 GLN Ad 230 HIS Aw 46 ASN Aw 56 ASN Aw 89 HIS Aw 152 HIS ** BH 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BH 149 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Aj 221 GLN Aj 242 HIS Aj 244 GLN Aj 325 GLN Aj 388 GLN Aj 389 GLN ** Aj 420 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Aj 439 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Aj 472 ASN Aj 482 GLN ** Aj 491 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Ar 55 ASN Ar 96 GLN Ar 105 ASN ** An 138 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** An 220 GLN ** An 244 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** An 267 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** BF 40 GLN ** BF 103 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BM 127 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** BM 130 GLN ** BM 145 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BM 268 HIS ** BM 281 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BM 296 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** BM 325 GLN ** BM 364 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BM 381 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ag 130 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Bl 148 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Bl 173 GLN Ax 95 GLN ** Ax 183 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Ax 188 ASN ** BS 378 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** BS 405 ASN BY 84 HIS BY 263 HIS BY 342 GLN BX 83 ASN BX 140 HIS ** BX 188 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BX 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BX 229 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** BX 278 GLN BX 342 GLN ** BZ 93 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BZ 100 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BZ 173 HIS ** BZ 248 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BZ 269 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** BZ 273 GLN BZ 329 HIS ** BZ 349 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BZ 372 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BZ 392 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** CC 84 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** CC 98 HIS CC 119 GLN BT 147 GLN ** BU 59 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BU 289 GLN BU 325 HIS BU 327 ASN BU 390 ASN BU 430 HIS BW 283 HIS BW 374 HIS BW 525 GLN ** BW 537 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BW 558 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BW 579 ASN BW 613 GLN ** BV 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** BV 232 HIS BV 282 GLN ** BV 324 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** BR 43 HIS BR 80 HIS BR 113 GLN Total number of N/Q/H flips: 189 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7496 moved from start: 0.1648 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.008 1.471 144601 Z= 0.486 Angle : 0.846 27.927 200058 Z= 0.435 Chirality : 0.051 2.194 22406 Planarity : 0.007 0.164 23035 Dihedral : 18.279 179.873 27227 Min Nonbonded Distance : 1.355 Molprobity Statistics. All-atom Clashscore : 21.65 Ramachandran Plot: Outliers : 0.27 % Allowed : 13.03 % Favored : 86.70 % Rotamer Outliers : 4.08 % Cbeta Deviations : 0.01 % Peptide Plane: Cis-proline : 0.43 % Cis-general : 0.08 % Twisted Proline : 0.43 % Twisted General : 0.08 % 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: -4.63 (0.06), residues: 15214 helix: -3.18 (0.05), residues: 5373 sheet: -3.08 (0.14), residues: 1079 loop : -3.09 (0.06), residues: 8762 *********************** REFINEMENT MACRO_CYCLE 2 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 30428 Ramachandran restraints generated. 15214 Oldfield, 0 Emsley, 15214 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 30428 Ramachandran restraints generated. 15214 Oldfield, 0 Emsley, 15214 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 2549 residues out of total 12517 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 510 poor density : 2039 time to evaluate : 9.577 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 510 outliers final: 230 residues processed: 2423 average time/residue: 1.2700 time to fit residues: 5336.9828 Evaluate side-chains 2082 residues out of total 12517 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 230 poor density : 1852 time to evaluate : 10.681 Switching outliers to nearest non-outliers revert: symmetry clash outliers start: 230 outliers final: 1 residues processed: 230 average time/residue: 1.0627 time to fit residues: 471.9373 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1589 random chunks: chunk 801 optimal weight: 8.9990 chunk 447 optimal weight: 0.9990 chunk 1200 optimal weight: 40.0000 chunk 982 optimal weight: 8.9990 chunk 398 optimal weight: 9.9990 chunk 1445 optimal weight: 30.0000 chunk 1561 optimal weight: 10.0000 chunk 1287 optimal weight: 2.9990 chunk 1433 optimal weight: 0.0570 chunk 492 optimal weight: 50.0000 chunk 1159 optimal weight: 30.0000 overall best weight: 4.4106 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: B 124 ASN ** B 169 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 226 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 142 ASN C 151 GLN E 70 GLN F 22 GLN F 32 GLN ** F 51 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** G 71 ASN ** G 199 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** G 202 ASN ** G 259 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 291 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 310 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 67 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 99 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 120 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 206 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 242 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** J 17 ASN L 111 HIS M 76 ASN N 123 HIS ** N 160 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 235 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** O 52 ASN ** O 89 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** O 169 GLN ** O 193 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 220 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** O 286 ASN ** Q 32 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 47 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 98 GLN ** Q 119 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 164 GLN R 72 GLN R 201 ASN S 384 HIS ** Z 91 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BA 125 ASN CA 210 GLN ** CA 221 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** CA 276 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** CA 329 ASN ** CB 58 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** CB 102 GLN CB 117 GLN ** CB 184 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** BK 189 GLN ** BK 302 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BK 630 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BK 840 HIS BQ 137 GLN ** BQ 183 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** BQ 271 HIS BN 186 GLN ** BE 113 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BO 135 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ae 54 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ae 197 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Af 20 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Af 71 HIS ** Ah 271 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ah 346 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ah 389 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ah 461 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Ap 39 ASN ** Ap 44 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ap 71 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Ap 87 GLN Ap 207 ASN Al 121 HIS ** Al 219 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Ab 127 HIS ** Aa 154 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Aa 167 ASN ** Aa 172 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BP 6 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Az 25 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Az 31 ASN ** Az 60 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Am 148 ASN ** As 54 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** As 94 ASN As 147 GLN ** BH 149 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Aj 341 ASN ** Aj 439 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Aj 491 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ar 165 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** An 220 GLN An 244 HIS ** An 267 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** BF 103 HIS BM 123 GLN ** BM 145 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BM 281 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BM 296 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BM 364 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BM 381 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Bl 148 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Bl 206 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Ax 154 HIS Ax 156 GLN ** BS 378 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** BS 405 ASN BX 140 HIS BX 188 ASN ** BX 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BX 229 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** BX 278 GLN BZ 93 HIS ** BZ 100 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BZ 248 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BZ 269 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BZ 349 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BZ 372 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** CC 84 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BT 164 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BU 59 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BU 327 ASN ** BW 173 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** BW 374 HIS ** BW 537 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BW 558 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BV 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** BV 324 GLN ** BR 71 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 56 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7466 moved from start: 0.2105 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.007 1.472 144601 Z= 0.432 Angle : 0.780 27.899 200058 Z= 0.398 Chirality : 0.047 1.452 22406 Planarity : 0.006 0.161 23035 Dihedral : 18.077 179.594 27227 Min Nonbonded Distance : 1.366 Molprobity Statistics. All-atom Clashscore : 20.16 Ramachandran Plot: Outliers : 0.20 % Allowed : 12.81 % Favored : 86.99 % Rotamer Outliers : 4.54 % Cbeta Deviations : 0.01 % Peptide Plane: Cis-proline : 0.43 % Cis-general : 0.08 % Twisted Proline : 0.33 % 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: -4.10 (0.06), residues: 15214 helix: -2.63 (0.06), residues: 5423 sheet: -2.90 (0.14), residues: 1100 loop : -2.84 (0.06), residues: 8691 *********************** REFINEMENT MACRO_CYCLE 3 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 30428 Ramachandran restraints generated. 15214 Oldfield, 0 Emsley, 15214 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 30428 Ramachandran restraints generated. 15214 Oldfield, 0 Emsley, 15214 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 2577 residues out of total 12517 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 568 poor density : 2009 time to evaluate : 10.877 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 568 outliers final: 276 residues processed: 2435 average time/residue: 1.3108 time to fit residues: 5557.1012 Evaluate side-chains 2120 residues out of total 12517 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 276 poor density : 1844 time to evaluate : 10.698 Switching outliers to nearest non-outliers revert: symmetry clash outliers start: 276 outliers final: 1 residues processed: 276 average time/residue: 1.0461 time to fit residues: 563.8642 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1589 random chunks: chunk 1428 optimal weight: 20.0000 chunk 1086 optimal weight: 5.9990 chunk 750 optimal weight: 9.9990 chunk 160 optimal weight: 10.0000 chunk 689 optimal weight: 6.9990 chunk 970 optimal weight: 7.9990 chunk 1450 optimal weight: 30.0000 chunk 1535 optimal weight: 10.0000 chunk 757 optimal weight: 20.0000 chunk 1374 optimal weight: 10.0000 chunk 413 optimal weight: 5.9990 overall best weight: 7.3990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: B 72 HIS ** B 169 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 226 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 142 ASN ** E 24 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** F 22 GLN F 32 GLN ** F 51 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 199 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** G 202 ASN ** G 259 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 291 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 67 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 99 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 120 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 242 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 51 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L 111 HIS M 76 ASN ** N 160 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 235 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 89 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** O 169 GLN ** O 193 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 32 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 47 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 116 HIS Q 164 GLN ** S 389 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** T 69 GLN ** Z 91 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** CA 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** CA 199 GLN ** CA 210 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** CA 221 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** CA 276 ASN ** CB 58 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** CB 117 GLN ** BK 302 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BK 630 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BK 819 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BK 840 HIS ** BK 856 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BQ 117 ASN ** BQ 183 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BE 113 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BO 135 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BO 173 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** At 73 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Au 122 HIS ** Ae 54 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Af 20 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Af 71 HIS ** Ah 271 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ah 346 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ah 389 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ah 461 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Ap 39 ASN ** Ap 44 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ap 71 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ap 87 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Al 219 ASN ** Ab 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Aa 81 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Aa 154 ASN Aa 167 ASN ** Aa 172 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BP 3 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Az 25 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Az 60 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** As 54 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** As 94 ASN ** As 147 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Aw 19 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BH 132 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BH 149 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Aj 420 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Aj 439 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Aj 491 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** An 138 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** An 211 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** An 220 GLN ** BM 131 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BM 145 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BM 281 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** BM 296 GLN ** BM 364 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BM 381 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Bl 148 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Bl 206 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BS 378 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BY 239 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BY 278 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BY 324 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** BX 140 HIS ** BX 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BX 222 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BX 229 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BZ 100 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BZ 248 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BZ 269 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BZ 349 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BZ 372 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BZ 392 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** CC 84 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** CD 45 GLN ** BU 59 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BU 191 HIS ** BU 246 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BU 327 ASN ** BW 558 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BW 642 GLN ** BV 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 30 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7519 moved from start: 0.2251 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.008 1.473 144601 Z= 0.534 Angle : 0.840 27.904 200058 Z= 0.427 Chirality : 0.049 0.983 22406 Planarity : 0.006 0.161 23035 Dihedral : 18.121 179.057 27227 Min Nonbonded Distance : 1.362 Molprobity Statistics. All-atom Clashscore : 21.73 Ramachandran Plot: Outliers : 0.22 % Allowed : 14.03 % Favored : 85.76 % Rotamer Outliers : 4.23 % Cbeta Deviations : 0.01 % Peptide Plane: Cis-proline : 0.43 % Cis-general : 0.08 % Twisted Proline : 0.33 % Twisted General : 0.15 % 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: -3.97 (0.06), residues: 15214 helix: -2.48 (0.06), residues: 5403 sheet: -2.79 (0.14), residues: 1091 loop : -2.80 (0.06), residues: 8720 *********************** REFINEMENT MACRO_CYCLE 4 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 30428 Ramachandran restraints generated. 15214 Oldfield, 0 Emsley, 15214 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 30428 Ramachandran restraints generated. 15214 Oldfield, 0 Emsley, 15214 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 2417 residues out of total 12517 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 529 poor density : 1888 time to evaluate : 10.938 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 529 outliers final: 276 residues processed: 2274 average time/residue: 1.2803 time to fit residues: 5142.0011 Evaluate side-chains 2061 residues out of total 12517 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 276 poor density : 1785 time to evaluate : 9.677 Switching outliers to nearest non-outliers revert: symmetry clash outliers start: 276 outliers final: 1 residues processed: 276 average time/residue: 1.0149 time to fit residues: 557.8669 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=3.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1589 random chunks: chunk 1279 optimal weight: 4.9990 chunk 871 optimal weight: 2.9990 chunk 22 optimal weight: 6.9990 chunk 1143 optimal weight: 20.0000 chunk 633 optimal weight: 20.0000 chunk 1310 optimal weight: 0.0050 chunk 1061 optimal weight: 8.9990 chunk 1 optimal weight: 7.9990 chunk 784 optimal weight: 5.9990 chunk 1378 optimal weight: 4.9990 chunk 387 optimal weight: 8.9990 overall best weight: 3.8002 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: B 72 HIS ** B 169 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 226 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 142 ASN ** C 192 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 24 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** F 32 GLN ** F 51 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 199 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** G 202 ASN ** G 259 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 291 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** G 310 HIS ** I 120 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** I 174 HIS ** I 242 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** J 17 ASN J 51 GLN L 111 HIS L 149 ASN ** M 20 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** M 76 ASN ** N 235 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 89 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** O 169 GLN ** Q 32 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 47 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 119 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** R 201 ASN R 286 GLN S 384 HIS ** Z 91 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** CA 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** CA 210 GLN ** CA 221 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** CB 58 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** CB 117 GLN ** BK 302 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BK 630 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BK 819 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BK 840 HIS ** BK 856 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BQ 183 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BE 113 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BO 135 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** At 127 GLN ** Ae 54 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ae 197 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Af 20 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Af 30 GLN ** Ah 136 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ah 271 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ah 346 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ah 389 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ah 461 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ap 44 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ap 71 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Ap 87 GLN ** Ab 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Aa 167 ASN ** Aa 172 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Az 25 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Az 146 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** As 94 ASN ** Ad 26 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Aw 19 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BH 132 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BH 149 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Aj 327 HIS ** Aj 420 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Aj 439 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Aj 491 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ar 165 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** An 138 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** An 211 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** An 322 GLN ** BF 103 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BM 131 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BM 145 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BM 281 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BM 364 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** BM 381 ASN ** Bl 148 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Bl 206 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Ax 139 HIS ** BS 378 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** BS 405 ASN ** BX 88 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BX 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** BX 278 GLN ** BZ 100 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BZ 248 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BZ 269 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BZ 349 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BZ 372 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** CC 84 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** CD 53 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** BT 263 GLN ** BU 59 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BU 246 ASN BU 465 GLN ** BW 558 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BR 71 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 32 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7454 moved from start: 0.2567 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.007 1.471 144601 Z= 0.411 Angle : 0.756 27.890 200058 Z= 0.383 Chirality : 0.046 0.938 22406 Planarity : 0.006 0.157 23035 Dihedral : 17.945 179.833 27227 Min Nonbonded Distance : 1.365 Molprobity Statistics. All-atom Clashscore : 19.70 Ramachandran Plot: Outliers : 0.20 % Allowed : 12.17 % Favored : 87.63 % Rotamer Outliers : 3.15 % Cbeta Deviations : 0.01 % Peptide Plane: Cis-proline : 0.43 % Cis-general : 0.08 % Twisted Proline : 0.33 % 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: -3.67 (0.06), residues: 15214 helix: -2.17 (0.06), residues: 5440 sheet: -2.66 (0.14), residues: 1104 loop : -2.66 (0.06), residues: 8670 *********************** REFINEMENT MACRO_CYCLE 5 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 30428 Ramachandran restraints generated. 15214 Oldfield, 0 Emsley, 15214 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 30428 Ramachandran restraints generated. 15214 Oldfield, 0 Emsley, 15214 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 2367 residues out of total 12517 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 394 poor density : 1973 time to evaluate : 10.775 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 394 outliers final: 187 residues processed: 2255 average time/residue: 1.2388 time to fit residues: 4882.9632 Evaluate side-chains 2017 residues out of total 12517 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 187 poor density : 1830 time to evaluate : 10.674 Switching outliers to nearest non-outliers revert: symmetry clash outliers start: 187 outliers final: 1 residues processed: 187 average time/residue: 1.0100 time to fit residues: 374.7971 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=3.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1589 random chunks: chunk 516 optimal weight: 0.9980 chunk 1383 optimal weight: 2.9990 chunk 303 optimal weight: 6.9990 chunk 901 optimal weight: 5.9990 chunk 379 optimal weight: 9.9990 chunk 1537 optimal weight: 10.0000 chunk 1276 optimal weight: 4.9990 chunk 711 optimal weight: 0.5980 chunk 127 optimal weight: 9.9990 chunk 508 optimal weight: 50.0000 chunk 807 optimal weight: 6.9990 overall best weight: 3.1186 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: B 72 HIS B 153 ASN ** B 169 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 226 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 142 ASN ** C 192 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 24 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 51 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 39 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 199 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** G 202 ASN ** G 259 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 291 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 120 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 242 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 88 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 235 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 89 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** O 169 GLN ** O 193 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 32 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 47 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 98 GLN Q 164 GLN R 201 ASN S 256 ASN S 312 GLN T 69 GLN ** Z 91 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** CA 85 HIS ** CA 210 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** CA 221 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** CA 329 ASN ** CB 58 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** CB 117 GLN CB 184 GLN ** BK 302 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BK 630 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BK 819 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BK 856 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BE 113 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** BO 49 ASN ** BO 135 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ae 54 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ae 197 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Af 20 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Af 107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ah 136 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ah 271 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ah 346 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ah 389 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ah 461 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Ap 44 GLN ** Ap 71 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Ap 87 GLN ** Ab 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Aa 172 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Az 25 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Az 60 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Az 146 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** As 94 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ad 26 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Aw 19 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BH 132 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BH 149 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Aj 420 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Aj 439 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Aj 491 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** An 138 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** An 211 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** An 322 GLN ** BF 103 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BM 131 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BM 145 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BM 281 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BM 364 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Bl 148 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Bl 206 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Ax 139 HIS ** BS 378 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BY 239 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** BY 278 GLN BY 324 GLN BX 140 HIS ** BX 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BZ 100 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BZ 248 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BZ 269 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BZ 349 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BZ 372 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** CC 84 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BT 164 HIS BT 192 HIS ** BU 59 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BU 465 GLN ** BW 558 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BV 120 ASN ** BV 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** BV 292 GLN ** BR 71 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 28 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7423 moved from start: 0.2854 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.006 1.472 144601 Z= 0.392 Angle : 0.734 27.917 200058 Z= 0.370 Chirality : 0.045 0.633 22406 Planarity : 0.005 0.152 23035 Dihedral : 17.784 179.594 27227 Min Nonbonded Distance : 1.365 Molprobity Statistics. All-atom Clashscore : 18.83 Ramachandran Plot: Outliers : 0.16 % Allowed : 11.93 % Favored : 87.91 % Rotamer Outliers : 2.51 % Cbeta Deviations : 0.01 % Peptide Plane: Cis-proline : 0.43 % Cis-general : 0.08 % Twisted Proline : 0.33 % Twisted General : 0.08 % 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: -3.41 (0.06), residues: 15214 helix: -1.91 (0.06), residues: 5463 sheet: -2.44 (0.14), residues: 1071 loop : -2.55 (0.06), residues: 8680 *********************** REFINEMENT MACRO_CYCLE 6 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 30428 Ramachandran restraints generated. 15214 Oldfield, 0 Emsley, 15214 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 30428 Ramachandran restraints generated. 15214 Oldfield, 0 Emsley, 15214 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 2315 residues out of total 12517 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 314 poor density : 2001 time to evaluate : 10.902 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 314 outliers final: 143 residues processed: 2208 average time/residue: 1.2739 time to fit residues: 4917.0347 Evaluate side-chains 1988 residues out of total 12517 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 143 poor density : 1845 time to evaluate : 10.654 Switching outliers to nearest non-outliers revert: symmetry clash outliers start: 143 outliers final: 1 residues processed: 143 average time/residue: 1.0305 time to fit residues: 293.6026 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=2.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1589 random chunks: chunk 1482 optimal weight: 10.0000 chunk 173 optimal weight: 7.9990 chunk 875 optimal weight: 20.0000 chunk 1122 optimal weight: 1.9990 chunk 869 optimal weight: 10.0000 chunk 1294 optimal weight: 0.7980 chunk 858 optimal weight: 9.9990 chunk 1531 optimal weight: 10.0000 chunk 958 optimal weight: 2.9990 chunk 933 optimal weight: 10.0000 chunk 707 optimal weight: 7.9990 overall best weight: 4.3588 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: B 72 HIS B 153 ASN ** B 169 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 226 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 142 ASN ** C 192 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 24 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 51 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 199 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** G 202 ASN ** G 259 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 291 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 120 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 242 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** J 17 ASN ** K 88 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** L 111 HIS L 149 ASN ** O 89 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** O 169 GLN ** O 193 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 32 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 47 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 164 GLN ** S 349 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** T 69 GLN ** Z 91 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** CA 85 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** CA 210 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** CA 221 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** CA 329 ASN CA 445 HIS ** CB 58 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** CB 117 GLN ** BK 228 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BK 302 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BK 630 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BK 819 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BK 856 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BQ 183 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** BN 78 ASN ** BN 157 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BE 113 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BO 135 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** At 73 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ae 54 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ae 197 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Af 20 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Af 30 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ah 271 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ah 346 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ah 389 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ap 71 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Ap 87 GLN ** Al 162 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ab 105 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ab 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Aa 172 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BP 3 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Az 25 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Az 60 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Am 125 ASN ** Ad 26 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Aw 19 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BH 71 GLN ** BH 132 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BH 149 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Aj 420 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Aj 439 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Aj 450 ASN ** Aj 491 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** An 138 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** An 211 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BM 131 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BM 145 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BM 281 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BM 364 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Bl 148 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Bl 206 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Ax 139 HIS ** BS 378 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BY 239 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** BY 269 ASN BY 278 GLN ** BZ 100 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BZ 269 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BZ 349 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BZ 372 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** CC 84 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BT 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BT 263 GLN ** BU 59 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BU 465 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BW 558 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BV 137 GLN BV 292 GLN ** BR 71 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 24 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7444 moved from start: 0.2945 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.007 1.472 144601 Z= 0.425 Angle : 0.755 27.919 200058 Z= 0.380 Chirality : 0.046 0.684 22406 Planarity : 0.006 0.149 23035 Dihedral : 17.744 179.778 27227 Min Nonbonded Distance : 1.364 Molprobity Statistics. All-atom Clashscore : 19.45 Ramachandran Plot: Outliers : 0.17 % Allowed : 12.23 % Favored : 87.60 % Rotamer Outliers : 2.27 % Cbeta Deviations : 0.01 % Peptide Plane: Cis-proline : 0.43 % Cis-general : 0.08 % Twisted Proline : 0.33 % Twisted General : 0.07 % 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: -3.31 (0.06), residues: 15214 helix: -1.80 (0.07), residues: 5468 sheet: -2.40 (0.14), residues: 1089 loop : -2.51 (0.06), residues: 8657 *********************** REFINEMENT MACRO_CYCLE 7 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 30428 Ramachandran restraints generated. 15214 Oldfield, 0 Emsley, 15214 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 30428 Ramachandran restraints generated. 15214 Oldfield, 0 Emsley, 15214 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 2179 residues out of total 12517 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 284 poor density : 1895 time to evaluate : 10.917 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 284 outliers final: 162 residues processed: 2078 average time/residue: 1.2670 time to fit residues: 4605.1256 Evaluate side-chains 1982 residues out of total 12517 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 162 poor density : 1820 time to evaluate : 10.703 Switching outliers to nearest non-outliers revert: symmetry clash outliers start: 162 outliers final: 1 residues processed: 162 average time/residue: 1.0370 time to fit residues: 335.1159 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=2.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1589 random chunks: chunk 947 optimal weight: 3.9990 chunk 611 optimal weight: 5.9990 chunk 914 optimal weight: 0.6980 chunk 461 optimal weight: 4.9990 chunk 300 optimal weight: 10.0000 chunk 296 optimal weight: 20.0000 chunk 973 optimal weight: 9.9990 chunk 1043 optimal weight: 5.9990 chunk 757 optimal weight: 30.0000 chunk 142 optimal weight: 3.9990 chunk 1203 optimal weight: 6.9990 overall best weight: 3.9388 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: B 72 HIS ** B 169 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 226 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 142 ASN ** C 192 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 24 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 51 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 199 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** G 202 ASN ** G 259 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 291 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 67 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 120 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 242 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 88 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** L 111 HIS ** O 89 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** O 169 GLN O 193 HIS ** Q 32 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 47 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 98 GLN Q 164 GLN ** S 349 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 69 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** V 119 GLN ** Z 91 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** CA 85 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** CA 210 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** CA 221 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** CA 329 ASN ** CB 58 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** CB 117 GLN ** BK 228 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BK 302 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BK 630 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BK 819 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BK 856 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BN 157 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** BN 212 HIS BE 97 HIS ** BE 113 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BO 135 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ae 54 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ae 197 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Af 20 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Af 30 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ah 271 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ah 346 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ah 389 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ap 71 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ap 87 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Aa 172 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BP 3 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Az 25 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Az 39 ASN As 54 ASN BG1339 ASN ** Ad 26 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Aw 19 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BH 132 HIS ** BH 149 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Aj 439 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Aj 491 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** An 138 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** An 211 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BM 131 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BM 145 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BM 281 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BM 364 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Bl 148 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Bl 206 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Ax 139 HIS ** BS 378 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BY 239 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** BY 269 ASN BY 278 GLN BX 140 HIS ** BZ 100 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BZ 269 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BZ 372 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** CC 84 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BT 263 GLN ** BU 59 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BU 465 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** BW 125 GLN ** BW 558 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BV 292 GLN ** BR 71 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 24 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7431 moved from start: 0.3089 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.007 1.474 144601 Z= 0.412 Angle : 0.747 27.917 200058 Z= 0.375 Chirality : 0.045 0.764 22406 Planarity : 0.005 0.145 23035 Dihedral : 17.682 179.922 27227 Min Nonbonded Distance : 1.364 Molprobity Statistics. All-atom Clashscore : 19.23 Ramachandran Plot: Outliers : 0.16 % Allowed : 11.88 % Favored : 87.95 % Rotamer Outliers : 1.53 % Cbeta Deviations : 0.01 % Peptide Plane: Cis-proline : 0.43 % Cis-general : 0.08 % Twisted Proline : 0.33 % Twisted General : 0.08 % 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: -3.19 (0.06), residues: 15214 helix: -1.66 (0.07), residues: 5458 sheet: -2.39 (0.14), residues: 1096 loop : -2.45 (0.06), residues: 8660 *********************** REFINEMENT MACRO_CYCLE 8 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 30428 Ramachandran restraints generated. 15214 Oldfield, 0 Emsley, 15214 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 30428 Ramachandran restraints generated. 15214 Oldfield, 0 Emsley, 15214 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 2101 residues out of total 12517 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 192 poor density : 1909 time to evaluate : 10.753 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 192 outliers final: 90 residues processed: 2031 average time/residue: 1.2503 time to fit residues: 4437.1720 Evaluate side-chains 1911 residues out of total 12517 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 90 poor density : 1821 time to evaluate : 10.592 Switching outliers to nearest non-outliers revert: symmetry clash outliers start: 90 outliers final: 1 residues processed: 90 average time/residue: 1.0260 time to fit residues: 189.8484 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1589 random chunks: chunk 1393 optimal weight: 6.9990 chunk 1467 optimal weight: 40.0000 chunk 1338 optimal weight: 9.9990 chunk 1427 optimal weight: 0.9990 chunk 1466 optimal weight: 30.0000 chunk 859 optimal weight: 10.0000 chunk 621 optimal weight: 9.9990 chunk 1120 optimal weight: 5.9990 chunk 437 optimal weight: 7.9990 chunk 1289 optimal weight: 9.9990 chunk 1349 optimal weight: 9.9990 overall best weight: 6.3990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: B 72 HIS ** B 169 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 226 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 192 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 24 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 51 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 199 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** G 202 ASN ** G 259 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 291 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 67 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 120 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 242 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** J 17 ASN ** K 88 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** L 111 HIS L 149 ASN ** O 89 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** O 169 GLN ** Q 32 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 47 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 164 GLN R 286 GLN ** S 349 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** S 385 HIS ** T 69 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Z 67 ASN ** Z 91 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BA 125 ASN ** CA 85 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** CA 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** CA 210 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** CA 217 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** CA 221 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** CB 58 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** CB 117 GLN ** BK 228 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BK 302 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BK 630 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BK 819 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BK 856 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BQ 77 GLN ** BQ 183 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BE 113 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BO 135 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** At 73 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Au 143 GLN ** Ae 54 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ae 197 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Af 20 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Af 30 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ah 136 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ah 271 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ah 346 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ah 389 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ap 71 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ap 87 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ap 123 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Ap 168 ASN ** Al 162 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ab 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Aa 172 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BP 3 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Az 25 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Az 70 HIS ** Ad 26 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Aw 19 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Aw 79 HIS ** BH 149 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Aj 439 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Aj 491 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** An 138 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** An 211 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BM 145 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BM 281 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BM 364 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Bl 148 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Bl 206 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BS 378 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BY 239 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** BY 269 ASN BY 278 GLN ** BZ 100 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BZ 269 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BZ 372 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** CC 84 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** CD 45 GLN ** BT 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BT 263 GLN ** BU 59 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BU 465 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BW 558 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BV 292 GLN ** BR 142 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 22 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7489 moved from start: 0.3033 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.008 1.474 144601 Z= 0.496 Angle : 0.813 27.967 200058 Z= 0.409 Chirality : 0.048 0.626 22406 Planarity : 0.006 0.146 23035 Dihedral : 17.773 179.925 27227 Min Nonbonded Distance : 1.362 Molprobity Statistics. All-atom Clashscore : 20.91 Ramachandran Plot: Outliers : 0.18 % Allowed : 13.43 % Favored : 86.39 % Rotamer Outliers : 1.46 % Cbeta Deviations : 0.01 % Peptide Plane: Cis-proline : 0.43 % Cis-general : 0.08 % Twisted Proline : 0.33 % Twisted General : 0.11 % 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: -3.30 (0.06), residues: 15214 helix: -1.77 (0.06), residues: 5495 sheet: -2.38 (0.14), residues: 1100 loop : -2.53 (0.06), residues: 8619 *********************** REFINEMENT MACRO_CYCLE 9 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 30428 Ramachandran restraints generated. 15214 Oldfield, 0 Emsley, 15214 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 30428 Ramachandran restraints generated. 15214 Oldfield, 0 Emsley, 15214 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 2027 residues out of total 12517 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 183 poor density : 1844 time to evaluate : 10.800 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 183 outliers final: 109 residues processed: 1940 average time/residue: 1.2739 time to fit residues: 4322.7813 Evaluate side-chains 1879 residues out of total 12517 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 109 poor density : 1770 time to evaluate : 10.897 Switching outliers to nearest non-outliers revert: symmetry clash outliers start: 109 outliers final: 1 residues processed: 109 average time/residue: 1.0663 time to fit residues: 236.8521 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1589 random chunks: chunk 1422 optimal weight: 2.9990 chunk 937 optimal weight: 8.9990 chunk 1509 optimal weight: 6.9990 chunk 921 optimal weight: 6.9990 chunk 715 optimal weight: 0.0270 chunk 1049 optimal weight: 8.9990 chunk 1583 optimal weight: 10.0000 chunk 1457 optimal weight: 30.0000 chunk 1260 optimal weight: 10.0000 chunk 130 optimal weight: 0.9980 chunk 973 optimal weight: 4.9990 overall best weight: 3.2044 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** B 57 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 72 HIS ** B 169 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 226 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 107 GLN C 142 ASN ** C 192 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 24 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 70 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 51 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 199 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** G 202 ASN ** G 259 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 291 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 67 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 120 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 242 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 88 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** L 111 HIS L 149 ASN ** O 89 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** O 169 GLN ** Q 32 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 47 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 164 GLN R 286 GLN ** S 349 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 385 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 69 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 91 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** CA 85 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** CA 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** CA 187 HIS ** CA 210 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** CA 217 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** CA 221 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** CB 58 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** CB 117 GLN BK 228 ASN ** BK 302 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BK 630 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BQ 183 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BO 135 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Au 143 GLN ** Ae 54 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ae 197 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Af 20 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Af 30 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ah 136 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ah 271 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ah 346 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ah 389 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ah 461 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ap 71 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ap 87 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ap 123 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Al 162 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Aa 172 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BP 3 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Az 25 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Az 60 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ad 26 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Aw 19 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BH 149 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Aj 420 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Aj 439 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Aj 491 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** An 138 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** An 211 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** BF 54 HIS ** BM 145 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BM 281 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Bl 148 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Bl 206 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BY 239 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** BY 269 ASN BY 278 GLN ** BX 278 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BZ 93 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BZ 100 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BZ 269 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BZ 372 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** CC 84 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BT 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BU 59 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BR 71 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 16 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7419 moved from start: 0.3284 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.006 1.472 144601 Z= 0.394 Angle : 0.748 27.901 200058 Z= 0.374 Chirality : 0.045 0.790 22406 Planarity : 0.005 0.142 23035 Dihedral : 17.623 179.613 27227 Min Nonbonded Distance : 1.364 Molprobity Statistics. All-atom Clashscore : 19.12 Ramachandran Plot: Outliers : 0.15 % Allowed : 11.22 % Favored : 88.63 % Rotamer Outliers : 0.60 % Cbeta Deviations : 0.01 % Peptide Plane: Cis-proline : 0.43 % Cis-general : 0.08 % Twisted Proline : 0.22 % Twisted General : 0.09 % 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: -3.09 (0.06), residues: 15214 helix: -1.53 (0.07), residues: 5477 sheet: -2.32 (0.14), residues: 1096 loop : -2.43 (0.06), residues: 8641 ********************** REFINEMENT MACRO_CYCLE 10 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 30428 Ramachandran restraints generated. 15214 Oldfield, 0 Emsley, 15214 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 30428 Ramachandran restraints generated. 15214 Oldfield, 0 Emsley, 15214 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1967 residues out of total 12517 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 75 poor density : 1892 time to evaluate : 10.871 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 75 outliers final: 37 residues processed: 1928 average time/residue: 1.2953 time to fit residues: 4373.2539 Evaluate side-chains 1833 residues out of total 12517 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 37 poor density : 1796 time to evaluate : 10.713 Switching outliers to nearest non-outliers revert: symmetry clash outliers start: 37 outliers final: 1 residues processed: 37 average time/residue: 1.0304 time to fit residues: 86.8602 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1589 random chunks: chunk 772 optimal weight: 1.9990 chunk 1001 optimal weight: 4.9990 chunk 1342 optimal weight: 1.9990 chunk 386 optimal weight: 9.9990 chunk 1162 optimal weight: 8.9990 chunk 186 optimal weight: 3.9990 chunk 350 optimal weight: 9.9990 chunk 1262 optimal weight: 8.9990 chunk 528 optimal weight: 9.9990 chunk 1296 optimal weight: 8.9990 chunk 159 optimal weight: 9.9990 overall best weight: 4.3990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: B 72 HIS ** B 169 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 226 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 142 ASN ** C 192 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 24 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 70 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 51 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 199 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** G 202 ASN ** G 259 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 291 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 67 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** I 99 HIS ** I 120 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 223 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 242 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** J 17 ASN ** K 88 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** L 111 HIS ** O 89 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** O 169 GLN O 293 GLN ** Q 32 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 47 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 164 GLN ** S 349 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 34 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 69 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 91 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** CA 85 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** CA 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** CA 210 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** CA 217 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** CA 221 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** CB 58 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** CB 117 GLN BK 228 ASN ** BK 302 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BK 630 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BQ 183 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BO 135 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** At 73 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Au 143 GLN ** Ae 54 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ae 197 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Af 20 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Af 30 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Af 105 GLN ** Ah 136 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ah 271 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ah 346 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ah 389 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ah 461 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ap 71 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ap 87 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ap 123 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Al 116 ASN ** Al 162 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Aa 172 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BP 3 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Az 25 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Az 39 ASN Az 44 HIS ** Az 60 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ad 26 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Aw 19 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BH 149 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Aj 439 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Aj 491 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** An 138 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** An 211 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BM 145 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BM 281 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BM 364 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Bl 148 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Bl 206 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BY 185 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BY 239 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** BY 278 GLN ** BX 278 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** BZ 93 HIS ** BZ 100 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BZ 269 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** CC 84 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** CD 45 GLN ** BT 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BU 59 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BU 246 ASN BV 137 GLN BV 292 GLN ** BR 71 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BR 142 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 22 ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.4008 r_free = 0.4008 target = 0.133972 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 37)----------------| | r_work = 0.3735 r_free = 0.3735 target = 0.116414 restraints weight = 346852.190| |-----------------------------------------------------------------------------| r_work (start): 0.3726 rms_B_bonded: 1.85 r_work: 0.3627 rms_B_bonded: 2.73 restraints_weight: 0.5000 r_work: 0.3523 rms_B_bonded: 4.72 restraints_weight: 0.2500 r_work (final): 0.3523 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7737 moved from start: 0.3313 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.007 1.474 144601 Z= 0.429 Angle : 0.770 27.960 200058 Z= 0.385 Chirality : 0.046 0.729 22406 Planarity : 0.006 0.137 23035 Dihedral : 17.611 179.412 27227 Min Nonbonded Distance : 1.363 Molprobity Statistics. All-atom Clashscore : 20.07 Ramachandran Plot: Outliers : 0.16 % Allowed : 12.65 % Favored : 87.19 % Rotamer Outliers : 0.70 % Cbeta Deviations : 0.01 % Peptide Plane: Cis-proline : 0.43 % Cis-general : 0.08 % Twisted Proline : 0.22 % Twisted General : 0.07 % 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: -3.08 (0.06), residues: 15214 helix: -1.52 (0.07), residues: 5489 sheet: -2.25 (0.15), residues: 1088 loop : -2.44 (0.06), residues: 8637 =============================================================================== Job complete usr+sys time: 66406.96 seconds wall clock time: 1143 minutes 0.70 seconds (68580.70 seconds total)