Starting phenix.real_space_refine on Tue Mar 19 06:43:07 2024 by dcliebschner =============================================================================== Processing files: ------------------------------------------------------------------------------- Found model, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7am2_11821/03_2024/7am2_11821_trim_updated.pdb Found real_map, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7am2_11821/03_2024/7am2_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_11821/03_2024/7am2_11821.map" default_real_map = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7am2_11821/03_2024/7am2_11821.map" model { file = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7am2_11821/03_2024/7am2_11821_trim_updated.pdb" } default_model = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7am2_11821/03_2024/7am2_11821_trim_updated.pdb" } resolution = 3.4 write_initial_geo_file = False refinement { macro_cycles = 10 } qi { qm_restraints { package { program = *test } } } Starting job =============================================================================== ------------------------------------------------------------------------------- Citation: ********* Afonine PV, Poon BK, Read RJ, Sobolev OV, Terwilliger TC, Urzhumtsev A, Adams PD. (2018) Real-space refinement in PHENIX for cryo-EM and crystallography. Acta Cryst. D74:531-544. Validating inputs Origin is already at (0, 0, 0), no shifts will be applied ------------------------------------------------------------------------------- Processing inputs ***************** Set random seed Set to: 0 Set model cs if undefined Decide on map wrapping Map wrapping is set to: False Normalize map: mean=0, sd=1 Input map: mean= -0.000 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-dev-5265/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 dihedrals: 2 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 dihedrals: 2 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: 53.47, per 1000 atoms: 0.38 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: 42.62 Conformation dependent library (CDL) restraints added in 17.0 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 for structures that cannot fit in PDB format. 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: 86.47 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: 63.14 Time building geometry restraints manager: 47.05 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: 82692 35.93 - 71.85: 4531 71.85 - 107.78: 367 107.78 - 143.71: 62 143.71 - 179.63: 79 Dihedral angle restraints: 87731 sinusoidal: 42623 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 87728 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: 3.630 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: 0.110 Extract box with map and model: 19.920 Check model and map are aligned: 1.530 Set scattering table: 1.010 Process input model: 359.970 Find NCS groups from input model: 6.120 Set up NCS constraints: 0.540 Set refine NCS operators: 0.000 Adjust number of macro_cycles: 0.000 Reset NCS operators: 0.000 Extract rigid body selections: 0.000 Check and reset occupancies: 0.020 Load rotamer database and sin/cos tables:2.700 Set ADP refinement strategy: 0.000 Make a string to write initial .geo file:0.000 Internal consistency checks: 0.000 Total: 395.560 ------------------------------------------------------------------------------- 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 : 21.093 179.633 58516 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 % Allowed : 20.27 % Favored : 71.08 % 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 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.048 0.002 TRP Z 131 HIS 0.009 0.001 HISBO 90 PHE 0.034 0.002 PHEBT 196 TYR 0.068 0.002 TYR G 308 ARG 0.046 0.001 ARGAw 81 *********************** 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 : 10.189 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: B 191 MET cc_start: 0.8341 (tpp) cc_final: 0.7584 (tpp) REVERT: B 316 ASN cc_start: 0.8826 (OUTLIER) cc_final: 0.8557 (p0) REVERT: C 73 MET cc_start: 0.7927 (mmt) cc_final: 0.7603 (mmt) REVERT: C 159 GLU cc_start: 0.7681 (mm-30) cc_final: 0.7383 (mm-30) REVERT: E 70 GLN cc_start: 0.7324 (mt0) cc_final: 0.7080 (mp10) REVERT: F 65 ASP cc_start: 0.6872 (p0) cc_final: 0.6613 (p0) REVERT: F 87 LEU cc_start: 0.9132 (mt) cc_final: 0.8904 (mt) REVERT: G 201 ARG cc_start: 0.6942 (tpt170) cc_final: 0.6672 (tpm170) REVERT: G 228 TYR cc_start: 0.7271 (OUTLIER) cc_final: 0.6516 (p90) REVERT: G 256 TYR cc_start: 0.8393 (t80) cc_final: 0.8133 (t80) REVERT: I 117 TYR cc_start: 0.7754 (m-10) cc_final: 0.7394 (m-10) REVERT: J 5 GLU cc_start: 0.7049 (OUTLIER) cc_final: 0.6568 (tm-30) REVERT: J 71 ILE cc_start: 0.8501 (OUTLIER) cc_final: 0.8039 (mp) REVERT: K 166 ASP cc_start: 0.7394 (p0) cc_final: 0.7192 (p0) REVERT: L 75 GLU cc_start: 0.7294 (tp30) cc_final: 0.7005 (tp30) REVERT: L 84 GLU cc_start: 0.6575 (tt0) cc_final: 0.6306 (tt0) REVERT: L 101 ARG cc_start: 0.7415 (ptp-110) cc_final: 0.7074 (ptp90) REVERT: M 210 ASP cc_start: 0.7612 (m-30) cc_final: 0.7397 (m-30) REVERT: N 61 ARG cc_start: 0.6264 (OUTLIER) cc_final: 0.4063 (pmt-80) REVERT: O 26 MET cc_start: 0.6816 (tpp) cc_final: 0.6222 (tpp) REVERT: O 92 GLU cc_start: 0.6838 (tt0) cc_final: 0.6538 (tt0) REVERT: Q 21 ARG cc_start: 0.6635 (mtt-85) cc_final: 0.5910 (mtt-85) REVERT: Q 115 ASP cc_start: 0.7290 (m-30) cc_final: 0.7086 (m-30) REVERT: Q 157 ARG cc_start: 0.8310 (OUTLIER) cc_final: 0.7655 (ttm170) REVERT: R 72 GLN cc_start: 0.8942 (OUTLIER) cc_final: 0.7654 (tp-100) REVERT: R 175 MET cc_start: 0.6714 (mtp) cc_final: 0.6272 (ttt) REVERT: S 272 GLU cc_start: 0.7558 (mp0) cc_final: 0.7245 (mp0) REVERT: T 55 GLU cc_start: 0.7124 (pt0) cc_final: 0.6813 (pt0) REVERT: T 62 LEU cc_start: 0.8332 (OUTLIER) cc_final: 0.7952 (mt) REVERT: V 38 GLN cc_start: 0.4948 (OUTLIER) cc_final: 0.4620 (tt0) REVERT: V 142 LYS cc_start: 0.6676 (OUTLIER) cc_final: 0.6272 (mptt) REVERT: Z 80 ARG cc_start: 0.8079 (OUTLIER) cc_final: 0.7605 (mtt90) REVERT: Z 124 GLU cc_start: 0.7888 (pp20) cc_final: 0.7660 (pm20) REVERT: BA 68 VAL cc_start: 0.8055 (OUTLIER) cc_final: 0.7819 (t) REVERT: BA 82 LEU cc_start: 0.5872 (mt) cc_final: 0.5188 (pt) REVERT: CA 467 TYR cc_start: 0.5291 (OUTLIER) cc_final: 0.4185 (m-10) REVERT: CA 488 PHE cc_start: 0.4058 (t80) cc_final: 0.3654 (t80) REVERT: CA 607 HIS cc_start: 0.7567 (OUTLIER) cc_final: 0.7032 (m-70) REVERT: BB 18 ARG cc_start: 0.6250 (mmm-85) cc_final: 0.5701 (ptp-170) REVERT: BB 55 GLN cc_start: 0.6893 (OUTLIER) cc_final: 0.6525 (mm110) REVERT: BK 438 MET cc_start: 0.8677 (OUTLIER) cc_final: 0.6846 (mpp) REVERT: BK 466 LEU cc_start: 0.7763 (OUTLIER) cc_final: 0.7116 (pt) REVERT: BK 473 ARG cc_start: 0.5822 (OUTLIER) cc_final: 0.5571 (tpt90) REVERT: BK 540 LEU cc_start: 0.8658 (OUTLIER) cc_final: 0.8040 (mt) REVERT: BK 543 LEU cc_start: 0.8570 (OUTLIER) cc_final: 0.8215 (mt) REVERT: BK 769 ARG cc_start: 0.8920 (OUTLIER) cc_final: 0.8248 (ptm160) REVERT: BQ 428 ARG cc_start: 0.8619 (OUTLIER) cc_final: 0.7681 (mtp85) REVERT: BN 190 THR cc_start: 0.8856 (p) cc_final: 0.8634 (m) REVERT: BN 237 HIS cc_start: 0.6033 (OUTLIER) cc_final: 0.5783 (m90) REVERT: BO 177 LYS cc_start: 0.8717 (OUTLIER) cc_final: 0.7594 (mppt) REVERT: At 23 ASP cc_start: 0.7891 (m-30) cc_final: 0.7537 (t0) REVERT: At 138 GLU cc_start: 0.7625 (OUTLIER) cc_final: 0.7319 (pm20) REVERT: At 155 MET cc_start: 0.7745 (mmm) cc_final: 0.7473 (mmt) REVERT: Ae 76 MET cc_start: 0.7385 (mtt) cc_final: 0.7075 (mtt) REVERT: Ae 256 ILE cc_start: 0.8485 (OUTLIER) cc_final: 0.8220 (mt) REVERT: Af 38 GLU cc_start: 0.7659 (mt-10) cc_final: 0.6565 (mt-10) REVERT: Af 49 TYR cc_start: 0.8400 (p90) cc_final: 0.8137 (p90) REVERT: Af 68 SER cc_start: 0.8372 (p) cc_final: 0.7907 (m) REVERT: Af 97 GLU cc_start: 0.7077 (mp0) cc_final: 0.6872 (mp0) REVERT: Ah 48 SER cc_start: 0.7781 (OUTLIER) cc_final: 0.7449 (t) REVERT: Ah 122 TRP cc_start: 0.8081 (m100) cc_final: 0.7414 (m100) REVERT: Ah 143 ASN cc_start: 0.6229 (t0) cc_final: 0.5824 (t0) REVERT: Ah 172 LYS cc_start: 0.4884 (tttt) cc_final: 0.4522 (tttt) REVERT: Ah 315 LYS cc_start: 0.7423 (mttt) cc_final: 0.7170 (mttm) REVERT: Ah 366 MET cc_start: 0.6347 (ptm) cc_final: 0.5675 (ptm) REVERT: Ah 367 GLN cc_start: 0.3785 (OUTLIER) cc_final: 0.3431 (mm-40) REVERT: Ap 222 ARG cc_start: 0.4352 (ttt-90) cc_final: 0.3898 (mmt180) REVERT: Al 267 ASP cc_start: 0.8122 (p0) cc_final: 0.7850 (p0) REVERT: Al 288 MET cc_start: 0.8529 (ptt) cc_final: 0.8085 (ptt) REVERT: Ab 156 GLU cc_start: 0.7685 (mt-10) cc_final: 0.7416 (mt-10) REVERT: Am 140 TYR cc_start: 0.7407 (OUTLIER) cc_final: 0.6681 (p90) REVERT: Am 279 GLN cc_start: 0.8136 (OUTLIER) cc_final: 0.7518 (mp-120) REVERT: Am 289 GLU cc_start: 0.6296 (OUTLIER) cc_final: 0.5714 (tp30) REVERT: Ad 60 LEU cc_start: 0.8354 (OUTLIER) cc_final: 0.8051 (mt) REVERT: BH 113 ASP cc_start: 0.7386 (OUTLIER) cc_final: 0.6933 (p0) REVERT: Aj 222 GLU cc_start: 0.6908 (mp0) cc_final: 0.6482 (mp0) REVERT: Aj 453 ILE cc_start: 0.7582 (OUTLIER) cc_final: 0.7227 (mt) REVERT: Ar 25 THR cc_start: 0.5808 (t) cc_final: 0.5512 (t) REVERT: Ar 40 ARG cc_start: 0.5852 (OUTLIER) cc_final: 0.3811 (pmt170) REVERT: Ar 196 ARG cc_start: 0.7041 (OUTLIER) cc_final: 0.6451 (ttt90) REVERT: An 98 ARG cc_start: 0.6865 (OUTLIER) cc_final: 0.6553 (ptt90) REVERT: An 109 PHE cc_start: 0.5495 (OUTLIER) cc_final: 0.5275 (t80) REVERT: An 124 TYR cc_start: 0.6013 (t80) cc_final: 0.5795 (t80) REVERT: An 134 PHE cc_start: 0.2720 (OUTLIER) cc_final: 0.2253 (p90) REVERT: An 236 LEU cc_start: 0.8464 (tp) cc_final: 0.8228 (mt) REVERT: BF 93 LYS cc_start: 0.8313 (mmmm) cc_final: 0.7881 (mmmm) REVERT: BF 94 LEU cc_start: 0.8072 (tp) cc_final: 0.7459 (tp) REVERT: BM 43 TYR cc_start: 0.4648 (t80) cc_final: 0.3615 (m-80) REVERT: BM 134 LYS cc_start: 0.7298 (OUTLIER) cc_final: 0.6965 (tmtt) REVERT: BM 191 GLU cc_start: 0.6518 (OUTLIER) cc_final: 0.5598 (mp0) REVERT: BM 261 PHE cc_start: 0.7135 (t80) cc_final: 0.6667 (t80) REVERT: Ag 109 GLN cc_start: 0.7245 (tp40) cc_final: 0.6900 (tp40) REVERT: Bl 164 ASP cc_start: 0.5794 (p0) cc_final: 0.5430 (p0) REVERT: Ax 144 LYS cc_start: 0.8206 (mttt) cc_final: 0.7982 (mttt) REVERT: Ax 173 ARG cc_start: 0.2151 (mtt180) cc_final: 0.1749 (mmm160) REVERT: Ax 175 ILE cc_start: 0.6694 (tp) cc_final: 0.6355 (pt) REVERT: Ax 180 ARG cc_start: 0.5654 (mmt-90) cc_final: 0.4818 (ttt90) REVERT: Ax 205 ARG cc_start: 0.3536 (mmm160) cc_final: 0.3246 (ttt180) REVERT: Ax 208 MET cc_start: 0.7477 (ppp) cc_final: 0.7021 (ppp) REVERT: BS 292 GLN cc_start: 0.3094 (mt0) cc_final: 0.2888 (mt0) REVERT: BS 408 GLN cc_start: 0.7594 (mt0) cc_final: 0.6598 (pm20) REVERT: BY 105 MET cc_start: 0.6741 (ptp) cc_final: 0.6391 (ptp) REVERT: BY 177 LYS cc_start: 0.7412 (pttt) cc_final: 0.7153 (mmtm) REVERT: BY 266 GLU cc_start: 0.5432 (OUTLIER) cc_final: 0.4842 (mm-30) REVERT: BX 213 GLN cc_start: 0.7389 (mm110) cc_final: 0.6823 (mp10) REVERT: BZ 54 GLU cc_start: 0.8385 (OUTLIER) cc_final: 0.7329 (tp30) REVERT: BZ 65 PHE cc_start: 0.7426 (OUTLIER) cc_final: 0.6831 (t80) REVERT: BZ 98 ARG cc_start: 0.8582 (OUTLIER) cc_final: 0.7378 (ttm170) REVERT: BZ 103 LYS cc_start: 0.8763 (OUTLIER) cc_final: 0.8557 (ptmt) REVERT: BZ 194 MET cc_start: 0.6891 (ttp) cc_final: 0.5998 (tpp) REVERT: BZ 344 GLU cc_start: 0.5967 (mp0) cc_final: 0.5691 (mp0) REVERT: CC 71 LYS cc_start: 0.7395 (tmtt) cc_final: 0.6393 (mmpt) REVERT: CC 87 LYS cc_start: 0.4746 (mttt) cc_final: 0.4328 (tptt) REVERT: CC 92 LYS cc_start: 0.5794 (ttpt) cc_final: 0.5283 (mptt) REVERT: CC 105 LEU cc_start: 0.5456 (OUTLIER) cc_final: 0.5003 (mp) REVERT: CD 100 ARG cc_start: 0.6883 (OUTLIER) cc_final: 0.6308 (mmt-90) REVERT: CD 113 LYS cc_start: 0.8765 (tppp) cc_final: 0.8204 (tppp) REVERT: CD 118 LEU cc_start: 0.8079 (OUTLIER) cc_final: 0.7831 (pp) REVERT: BT 139 TRP cc_start: 0.7213 (m-90) cc_final: 0.6920 (p-90) REVERT: BT 200 ARG cc_start: 0.4537 (mmm160) cc_final: 0.3811 (ttp-110) REVERT: BU 54 MET cc_start: 0.4822 (tmm) cc_final: 0.4284 (tmm) REVERT: BU 73 GLU cc_start: 0.7472 (OUTLIER) cc_final: 0.7245 (pt0) REVERT: BU 175 LYS cc_start: 0.8340 (mttp) cc_final: 0.7903 (mmmt) REVERT: BU 447 PHE cc_start: 0.7900 (OUTLIER) cc_final: 0.7455 (m-80) REVERT: BU 466 GLU cc_start: 0.7614 (pp20) cc_final: 0.6979 (pp20) REVERT: BW 108 LYS cc_start: 0.4950 (mmtt) cc_final: 0.4310 (mmtt) REVERT: BW 113 ASP cc_start: 0.7881 (OUTLIER) cc_final: 0.6834 (t0) REVERT: BW 161 GLU cc_start: 0.5749 (OUTLIER) cc_final: 0.5244 (tp30) REVERT: BW 173 GLN cc_start: 0.8816 (OUTLIER) cc_final: 0.8216 (tp-100) REVERT: BW 206 LEU cc_start: 0.9148 (OUTLIER) cc_final: 0.8780 (mp) REVERT: BW 265 GLU cc_start: 0.8225 (OUTLIER) cc_final: 0.7809 (tp30) REVERT: BW 274 GLU cc_start: 0.7743 (mm-30) cc_final: 0.7515 (mm-30) REVERT: BW 526 LEU cc_start: 0.8487 (OUTLIER) cc_final: 0.8241 (mp) REVERT: BW 660 TYR cc_start: 0.7547 (OUTLIER) cc_final: 0.6844 (t80) REVERT: BV 135 LEU cc_start: 0.3005 (OUTLIER) cc_final: 0.2749 (tt) REVERT: BV 164 ARG cc_start: 0.6013 (mmm-85) cc_final: 0.5620 (mmt90) REVERT: BV 192 TRP cc_start: 0.7734 (t60) cc_final: 0.6883 (t60) REVERT: BV 282 GLN cc_start: 0.7728 (tp40) cc_final: 0.7524 (tt0) outliers start: 1082 outliers final: 744 residues processed: 3251 average time/residue: 1.2379 time to fit residues: 6897.6848 Evaluate side-chains 2680 residues out of total 12517 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 803 poor density : 1877 time to evaluate : 10.964 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 40 SER Chi-restraints excluded: chain A residue 107 LEU Chi-restraints excluded: chain A residue 140 THR Chi-restraints excluded: chain A residue 145 ASP Chi-restraints excluded: chain A residue 185 VAL Chi-restraints excluded: chain A residue 203 VAL Chi-restraints excluded: chain A residue 214 VAL Chi-restraints excluded: chain A residue 237 VAL Chi-restraints excluded: chain A residue 257 PHE Chi-restraints excluded: chain A residue 262 VAL Chi-restraints excluded: chain A residue 275 CYS Chi-restraints excluded: chain A residue 304 VAL Chi-restraints excluded: chain A residue 316 ILE Chi-restraints excluded: chain A residue 334 ASP Chi-restraints excluded: chain A residue 335 THR Chi-restraints excluded: chain A residue 346 GLU Chi-restraints excluded: chain A residue 350 THR Chi-restraints excluded: chain A residue 355 THR Chi-restraints excluded: chain A residue 359 SER Chi-restraints excluded: chain A residue 365 SER Chi-restraints excluded: chain B residue 6 SER Chi-restraints excluded: chain B residue 9 VAL Chi-restraints excluded: chain B residue 28 VAL Chi-restraints excluded: chain B residue 42 ASN Chi-restraints excluded: chain B residue 45 THR Chi-restraints excluded: chain B residue 55 SER Chi-restraints excluded: chain B residue 70 LEU Chi-restraints excluded: chain B residue 80 VAL Chi-restraints excluded: chain B residue 85 THR Chi-restraints excluded: chain B residue 94 VAL Chi-restraints excluded: chain B residue 104 THR Chi-restraints excluded: chain B residue 181 VAL Chi-restraints excluded: chain B residue 190 THR Chi-restraints excluded: chain B residue 199 SER Chi-restraints excluded: chain B residue 242 HIS Chi-restraints excluded: chain B residue 257 THR Chi-restraints excluded: chain B residue 262 TYR Chi-restraints excluded: chain B residue 263 ASP Chi-restraints excluded: chain B residue 273 ASN Chi-restraints excluded: chain B residue 286 ASP Chi-restraints excluded: chain B residue 296 SER Chi-restraints excluded: chain B residue 300 THR Chi-restraints excluded: chain B residue 310 ILE Chi-restraints excluded: chain B residue 312 ILE Chi-restraints excluded: chain B residue 316 ASN Chi-restraints excluded: chain B residue 411 SER Chi-restraints excluded: chain C residue 18 HIS Chi-restraints excluded: chain C residue 44 ASP Chi-restraints excluded: chain C residue 59 THR Chi-restraints excluded: chain C residue 88 THR Chi-restraints excluded: chain C residue 115 VAL Chi-restraints excluded: chain C residue 117 PHE Chi-restraints excluded: chain C residue 118 LEU Chi-restraints excluded: chain C residue 124 GLU Chi-restraints excluded: chain C residue 136 THR Chi-restraints excluded: chain C residue 143 VAL Chi-restraints excluded: chain C residue 158 THR Chi-restraints excluded: chain C residue 160 GLU Chi-restraints excluded: chain C residue 178 ILE Chi-restraints excluded: chain C residue 181 THR Chi-restraints excluded: chain C residue 203 ILE Chi-restraints excluded: chain C residue 213 ASP Chi-restraints excluded: chain E residue 24 ASN Chi-restraints excluded: chain E residue 44 PHE Chi-restraints excluded: chain E residue 51 HIS Chi-restraints excluded: chain E residue 64 THR Chi-restraints excluded: chain E residue 102 VAL Chi-restraints excluded: chain E residue 121 THR Chi-restraints excluded: chain E residue 139 VAL Chi-restraints excluded: chain E residue 173 ILE Chi-restraints excluded: chain E residue 180 VAL Chi-restraints excluded: chain E residue 181 VAL Chi-restraints excluded: chain E residue 197 VAL Chi-restraints excluded: chain E residue 202 VAL Chi-restraints excluded: chain F residue 76 THR Chi-restraints excluded: chain F residue 107 VAL Chi-restraints excluded: chain F residue 132 VAL Chi-restraints excluded: chain G residue 34 LEU Chi-restraints excluded: chain G residue 76 THR Chi-restraints excluded: chain G residue 98 THR Chi-restraints excluded: chain G residue 104 VAL Chi-restraints excluded: chain G residue 108 SER Chi-restraints excluded: chain G residue 113 ILE Chi-restraints excluded: chain G residue 197 LEU Chi-restraints excluded: chain G residue 208 ASP Chi-restraints excluded: chain G residue 217 VAL Chi-restraints excluded: chain G residue 226 VAL Chi-restraints excluded: chain G residue 228 TYR Chi-restraints excluded: chain G residue 230 LEU Chi-restraints excluded: chain G residue 242 ILE Chi-restraints excluded: chain G residue 321 ILE Chi-restraints excluded: chain I residue 34 THR Chi-restraints excluded: chain I residue 44 LEU Chi-restraints excluded: chain I residue 186 PHE Chi-restraints excluded: chain I residue 187 PHE Chi-restraints excluded: chain I residue 227 LEU Chi-restraints excluded: chain I residue 232 LEU Chi-restraints excluded: chain I residue 247 ASP Chi-restraints excluded: chain J residue 5 GLU Chi-restraints excluded: chain J residue 6 ARG Chi-restraints excluded: chain J residue 19 PHE Chi-restraints excluded: chain J residue 20 PHE Chi-restraints excluded: chain J residue 71 ILE Chi-restraints excluded: chain J residue 79 THR Chi-restraints excluded: chain J residue 84 ILE Chi-restraints excluded: chain J residue 90 VAL Chi-restraints excluded: chain J residue 136 LEU Chi-restraints excluded: chain K residue 14 THR Chi-restraints excluded: chain K residue 33 LYS Chi-restraints excluded: chain K residue 51 VAL Chi-restraints excluded: chain K residue 66 VAL Chi-restraints excluded: chain K residue 84 LEU Chi-restraints excluded: chain K residue 126 THR Chi-restraints excluded: chain K residue 162 THR Chi-restraints excluded: chain K residue 175 THR Chi-restraints excluded: chain K residue 188 LEU Chi-restraints excluded: chain L residue 2 LEU Chi-restraints excluded: chain L residue 38 ASP Chi-restraints excluded: chain L residue 42 VAL Chi-restraints excluded: chain L residue 53 ILE Chi-restraints excluded: chain L residue 60 MET Chi-restraints excluded: chain L residue 77 VAL Chi-restraints excluded: chain L residue 79 VAL Chi-restraints excluded: chain L residue 91 ASN Chi-restraints excluded: chain L residue 92 VAL Chi-restraints excluded: chain L residue 93 VAL Chi-restraints excluded: chain L residue 98 THR Chi-restraints excluded: chain L residue 118 ILE Chi-restraints excluded: chain L residue 127 VAL Chi-restraints excluded: chain L residue 128 VAL Chi-restraints excluded: chain L residue 151 VAL Chi-restraints excluded: chain M residue 45 THR Chi-restraints excluded: chain M residue 57 THR Chi-restraints excluded: chain M residue 62 LEU Chi-restraints excluded: chain M residue 63 ASP Chi-restraints excluded: chain M residue 65 THR Chi-restraints excluded: chain M residue 69 SER Chi-restraints excluded: chain M residue 73 THR Chi-restraints excluded: chain M residue 86 VAL Chi-restraints excluded: chain M residue 88 ASN Chi-restraints excluded: chain M residue 92 VAL Chi-restraints excluded: chain M residue 105 VAL Chi-restraints excluded: chain M residue 157 SER Chi-restraints excluded: chain M residue 180 LEU Chi-restraints excluded: chain M residue 228 SER Chi-restraints excluded: chain M residue 247 THR Chi-restraints excluded: chain N residue 54 ASN Chi-restraints excluded: chain N residue 55 GLN Chi-restraints excluded: chain N residue 61 ARG Chi-restraints excluded: chain N residue 73 THR Chi-restraints excluded: chain N residue 105 ILE Chi-restraints excluded: chain N residue 111 LEU Chi-restraints excluded: chain N residue 134 SER Chi-restraints excluded: chain N residue 149 VAL Chi-restraints excluded: chain N residue 153 LEU Chi-restraints excluded: chain N residue 154 VAL Chi-restraints excluded: chain N residue 155 LEU Chi-restraints excluded: chain N residue 164 THR Chi-restraints excluded: chain N residue 175 SER Chi-restraints excluded: chain N residue 180 VAL Chi-restraints excluded: chain N residue 186 ILE Chi-restraints excluded: chain N residue 190 ASP Chi-restraints excluded: chain N residue 195 ILE Chi-restraints excluded: chain N residue 204 ARG Chi-restraints excluded: chain N residue 223 VAL Chi-restraints excluded: chain O residue 41 GLU Chi-restraints excluded: chain O residue 54 LEU Chi-restraints excluded: chain O residue 56 LEU Chi-restraints excluded: chain O residue 67 ILE Chi-restraints excluded: chain O residue 74 ASP Chi-restraints excluded: chain O residue 87 ILE Chi-restraints excluded: chain O residue 98 ASP Chi-restraints excluded: chain O residue 100 THR Chi-restraints excluded: chain O residue 166 ILE Chi-restraints excluded: chain O residue 183 THR Chi-restraints excluded: chain O residue 196 SER Chi-restraints excluded: chain O residue 197 VAL Chi-restraints excluded: chain O residue 289 VAL Chi-restraints excluded: chain O residue 290 ASP Chi-restraints excluded: chain O residue 319 VAL Chi-restraints excluded: chain Q residue 92 VAL Chi-restraints excluded: chain Q residue 114 LEU Chi-restraints excluded: chain Q residue 157 ARG Chi-restraints excluded: chain Q residue 161 LEU Chi-restraints excluded: chain Q residue 172 VAL Chi-restraints excluded: chain Q residue 219 VAL Chi-restraints excluded: chain R residue 17 VAL Chi-restraints excluded: chain R residue 50 ILE Chi-restraints excluded: chain R residue 52 LEU Chi-restraints excluded: chain R residue 72 GLN Chi-restraints excluded: chain R residue 98 VAL Chi-restraints excluded: chain R residue 102 ASP Chi-restraints excluded: chain R residue 106 THR Chi-restraints excluded: chain R residue 121 ILE Chi-restraints excluded: chain R residue 138 THR Chi-restraints excluded: chain R residue 163 VAL Chi-restraints excluded: chain R residue 173 LEU Chi-restraints excluded: chain R residue 181 VAL Chi-restraints excluded: chain R residue 211 SER Chi-restraints excluded: chain R residue 213 THR Chi-restraints excluded: chain R residue 237 HIS Chi-restraints excluded: chain R residue 258 VAL Chi-restraints excluded: chain R residue 296 ILE Chi-restraints excluded: chain R residue 305 THR Chi-restraints excluded: chain R residue 307 THR Chi-restraints excluded: chain R residue 321 VAL Chi-restraints excluded: chain R residue 332 VAL Chi-restraints excluded: chain R residue 353 ILE Chi-restraints excluded: chain R residue 392 THR Chi-restraints excluded: chain R residue 393 LEU Chi-restraints excluded: chain R residue 436 THR Chi-restraints excluded: chain R residue 475 VAL Chi-restraints excluded: chain R residue 480 ILE Chi-restraints excluded: chain S residue 274 ASN Chi-restraints excluded: chain S residue 289 THR Chi-restraints excluded: chain S residue 290 VAL Chi-restraints excluded: chain S residue 316 ASP Chi-restraints excluded: chain S residue 337 ILE Chi-restraints excluded: chain S residue 349 ASN Chi-restraints excluded: chain S residue 369 VAL Chi-restraints excluded: chain S residue 380 LEU Chi-restraints excluded: chain T residue 34 ASN Chi-restraints excluded: chain T residue 52 LEU Chi-restraints excluded: chain T residue 62 LEU Chi-restraints excluded: chain T residue 78 CYS Chi-restraints excluded: chain V residue 14 CYS Chi-restraints excluded: chain V residue 38 GLN Chi-restraints excluded: chain V residue 54 VAL Chi-restraints excluded: chain V residue 58 LEU Chi-restraints excluded: chain V residue 133 LYS Chi-restraints excluded: chain V residue 142 LYS Chi-restraints excluded: chain V residue 150 VAL Chi-restraints excluded: chain Z residue 55 HIS Chi-restraints excluded: chain Z residue 80 ARG Chi-restraints excluded: chain Z residue 89 VAL Chi-restraints excluded: chain Z residue 97 VAL Chi-restraints excluded: chain Z residue 116 SER Chi-restraints excluded: chain Z residue 131 TRP Chi-restraints excluded: chain Z residue 149 ASP Chi-restraints excluded: chain Z residue 157 VAL Chi-restraints excluded: chain BA residue 68 VAL Chi-restraints excluded: chain BA residue 88 VAL Chi-restraints excluded: chain BA residue 130 LEU Chi-restraints excluded: chain BA residue 138 VAL Chi-restraints excluded: chain BA residue 147 SER Chi-restraints excluded: chain CA residue 88 GLU Chi-restraints excluded: chain CA residue 110 SER Chi-restraints excluded: chain CA residue 116 LEU Chi-restraints excluded: chain CA residue 118 GLU Chi-restraints excluded: chain CA residue 122 THR Chi-restraints excluded: chain CA residue 137 SER Chi-restraints excluded: chain CA residue 154 LEU Chi-restraints excluded: chain CA residue 168 SER Chi-restraints excluded: chain CA residue 198 THR Chi-restraints excluded: chain CA residue 202 VAL Chi-restraints excluded: chain CA residue 207 THR Chi-restraints excluded: chain CA residue 215 SER Chi-restraints excluded: chain CA residue 217 HIS Chi-restraints excluded: chain CA residue 227 ASP Chi-restraints excluded: chain CA residue 241 VAL Chi-restraints excluded: chain CA residue 251 LEU Chi-restraints excluded: chain CA residue 256 SER Chi-restraints excluded: chain CA residue 291 PHE Chi-restraints excluded: chain CA residue 312 THR Chi-restraints excluded: chain CA residue 334 THR Chi-restraints excluded: chain CA residue 339 VAL Chi-restraints excluded: chain CA residue 345 VAL Chi-restraints excluded: chain CA residue 355 THR Chi-restraints excluded: chain CA residue 369 GLN Chi-restraints excluded: chain CA residue 407 SER Chi-restraints excluded: chain CA residue 425 ARG Chi-restraints excluded: chain CA residue 426 ILE Chi-restraints excluded: chain CA residue 437 VAL Chi-restraints excluded: chain CA residue 446 TYR Chi-restraints excluded: chain CA residue 449 ASP Chi-restraints excluded: chain CA residue 453 LEU Chi-restraints excluded: chain CA residue 467 TYR Chi-restraints excluded: chain CA residue 478 THR Chi-restraints excluded: chain CA residue 487 SER Chi-restraints excluded: chain CA residue 492 SER Chi-restraints excluded: chain CA residue 503 THR Chi-restraints excluded: chain CA residue 521 VAL Chi-restraints excluded: chain CA residue 534 ASP Chi-restraints excluded: chain CA residue 544 THR Chi-restraints excluded: chain CA residue 586 LEU Chi-restraints excluded: chain CA residue 607 HIS Chi-restraints excluded: chain BB residue 55 GLN Chi-restraints excluded: chain BB residue 85 ASP Chi-restraints excluded: chain BB residue 94 LEU Chi-restraints excluded: chain CB residue 53 VAL Chi-restraints excluded: chain CB residue 74 SER Chi-restraints excluded: chain CB residue 75 GLU Chi-restraints excluded: chain CB residue 110 ILE Chi-restraints excluded: chain CB residue 111 SER Chi-restraints excluded: chain CB residue 118 THR Chi-restraints excluded: chain CB residue 132 VAL Chi-restraints excluded: chain CB residue 144 THR Chi-restraints excluded: chain CB residue 165 ILE Chi-restraints excluded: chain CB residue 180 THR Chi-restraints excluded: chain BK residue 228 ASN Chi-restraints excluded: chain BK residue 233 ILE Chi-restraints excluded: chain BK residue 243 SER Chi-restraints excluded: chain BK residue 300 THR Chi-restraints excluded: chain BK residue 318 VAL Chi-restraints excluded: chain BK residue 322 CYS Chi-restraints excluded: chain BK residue 325 VAL Chi-restraints excluded: chain BK residue 393 ASP Chi-restraints excluded: chain BK residue 415 VAL Chi-restraints excluded: chain BK residue 426 VAL Chi-restraints excluded: chain BK residue 428 LEU Chi-restraints excluded: chain BK residue 438 MET Chi-restraints excluded: chain BK residue 454 LEU Chi-restraints excluded: chain BK residue 466 LEU Chi-restraints excluded: chain BK residue 471 CYS Chi-restraints excluded: chain BK residue 473 ARG Chi-restraints excluded: chain BK residue 475 ASP Chi-restraints excluded: chain BK residue 527 VAL Chi-restraints excluded: chain BK residue 529 HIS Chi-restraints excluded: chain BK residue 540 LEU Chi-restraints excluded: chain BK residue 543 LEU Chi-restraints excluded: chain BK residue 571 ASP Chi-restraints excluded: chain BK residue 589 THR Chi-restraints excluded: chain BK residue 595 LEU Chi-restraints excluded: chain BK residue 598 THR Chi-restraints excluded: chain BK residue 601 VAL Chi-restraints excluded: chain BK residue 612 TYR Chi-restraints excluded: chain BK residue 628 VAL Chi-restraints excluded: chain BK residue 639 ASN Chi-restraints excluded: chain BK residue 655 LEU Chi-restraints excluded: chain BK residue 656 VAL Chi-restraints excluded: chain BK residue 664 SER Chi-restraints excluded: chain BK residue 667 ASP Chi-restraints excluded: chain BK residue 679 LEU Chi-restraints excluded: chain BK residue 688 THR Chi-restraints excluded: chain BK residue 723 HIS Chi-restraints excluded: chain BK residue 727 THR Chi-restraints excluded: chain BK residue 731 GLU Chi-restraints excluded: chain BK residue 742 LEU Chi-restraints excluded: chain BK residue 749 VAL Chi-restraints excluded: chain BK residue 751 VAL Chi-restraints excluded: chain BK residue 769 ARG Chi-restraints excluded: chain BK residue 778 THR Chi-restraints excluded: chain BK residue 780 ASP Chi-restraints excluded: chain BK residue 794 SER Chi-restraints excluded: chain BK residue 828 VAL Chi-restraints excluded: chain BQ residue 15 SER Chi-restraints excluded: chain BQ residue 32 MET Chi-restraints excluded: chain BQ residue 81 ILE Chi-restraints excluded: chain BQ residue 91 VAL Chi-restraints excluded: chain BQ residue 117 ASN Chi-restraints excluded: chain BQ residue 128 VAL Chi-restraints excluded: chain BQ residue 144 VAL Chi-restraints excluded: chain BQ residue 157 SER Chi-restraints excluded: chain BQ residue 183 HIS Chi-restraints excluded: chain BQ residue 206 ASP Chi-restraints excluded: chain BQ residue 251 THR Chi-restraints excluded: chain BQ residue 284 SER Chi-restraints excluded: chain BQ residue 289 LEU Chi-restraints excluded: chain BQ residue 305 LEU Chi-restraints excluded: chain BQ residue 321 TYR Chi-restraints excluded: chain BQ residue 379 VAL Chi-restraints excluded: chain BQ residue 390 LEU Chi-restraints excluded: chain BQ residue 410 LEU Chi-restraints excluded: chain BQ residue 425 VAL Chi-restraints excluded: chain BQ residue 428 ARG Chi-restraints excluded: chain BQ residue 441 SER Chi-restraints excluded: chain BN residue 86 THR Chi-restraints excluded: chain BN residue 101 ILE Chi-restraints excluded: chain BN residue 128 VAL Chi-restraints excluded: chain BN residue 151 GLU Chi-restraints excluded: chain BN residue 163 LEU Chi-restraints excluded: chain BN residue 168 THR Chi-restraints excluded: chain BN residue 185 GLU Chi-restraints excluded: chain BN residue 201 THR Chi-restraints excluded: chain BN residue 212 HIS Chi-restraints excluded: chain BN residue 222 ASP Chi-restraints excluded: chain BN residue 237 HIS Chi-restraints excluded: chain BE residue 102 VAL Chi-restraints excluded: chain BE residue 116 LEU Chi-restraints excluded: chain BO residue 61 SER Chi-restraints excluded: chain BO residue 64 VAL Chi-restraints excluded: chain BO residue 72 THR Chi-restraints excluded: chain BO residue 79 LEU Chi-restraints excluded: chain BO residue 93 VAL Chi-restraints excluded: chain BO residue 132 THR Chi-restraints excluded: chain BO residue 136 THR Chi-restraints excluded: chain BO residue 138 THR Chi-restraints excluded: chain BO residue 150 ASN Chi-restraints excluded: chain BO residue 177 LYS Chi-restraints excluded: chain BO residue 180 LEU Chi-restraints excluded: chain At residue 25 ASP Chi-restraints excluded: chain At residue 27 VAL Chi-restraints excluded: chain At residue 40 SER Chi-restraints excluded: chain At residue 53 THR Chi-restraints excluded: chain At residue 63 THR Chi-restraints excluded: chain At residue 98 THR Chi-restraints excluded: chain At residue 138 GLU Chi-restraints excluded: chain At residue 172 THR Chi-restraints excluded: chain Au residue 109 LEU Chi-restraints excluded: chain Au residue 118 VAL Chi-restraints excluded: chain Au residue 141 VAL Chi-restraints excluded: chain Au residue 169 VAL Chi-restraints excluded: chain Ae residue 25 LEU Chi-restraints excluded: chain Ae residue 67 ARG Chi-restraints excluded: chain Ae residue 96 GLU Chi-restraints excluded: chain Ae residue 100 LEU Chi-restraints excluded: chain Ae residue 114 THR Chi-restraints excluded: chain Ae residue 127 VAL Chi-restraints excluded: chain Ae residue 155 THR Chi-restraints excluded: chain Ae residue 179 GLU Chi-restraints excluded: chain Ae residue 182 THR Chi-restraints excluded: chain Ae residue 184 THR Chi-restraints excluded: chain Ae residue 256 ILE Chi-restraints excluded: chain Ae residue 276 VAL Chi-restraints excluded: chain Af residue 61 VAL Chi-restraints excluded: chain Af residue 94 VAL Chi-restraints excluded: chain Af residue 116 VAL Chi-restraints excluded: chain Af residue 143 ASP Chi-restraints excluded: chain Af residue 144 THR Chi-restraints excluded: chain Ah residue 48 SER Chi-restraints excluded: chain Ah residue 57 VAL Chi-restraints excluded: chain Ah residue 192 VAL Chi-restraints excluded: chain Ah residue 195 LEU Chi-restraints excluded: chain Ah residue 196 VAL Chi-restraints excluded: chain Ah residue 219 LEU Chi-restraints excluded: chain Ah residue 242 LEU Chi-restraints excluded: chain Ah residue 251 VAL Chi-restraints excluded: chain Ah residue 256 VAL Chi-restraints excluded: chain Ah residue 264 LEU Chi-restraints excluded: chain Ah residue 271 GLN Chi-restraints excluded: chain Ah residue 280 ILE Chi-restraints excluded: chain Ah residue 311 VAL Chi-restraints excluded: chain Ah residue 330 VAL Chi-restraints excluded: chain Ah residue 332 LEU Chi-restraints excluded: chain Ah residue 337 VAL Chi-restraints excluded: chain Ah residue 367 GLN Chi-restraints excluded: chain Ah residue 369 VAL Chi-restraints excluded: chain Ah residue 393 VAL Chi-restraints excluded: chain Ah residue 404 HIS Chi-restraints excluded: chain Ah residue 458 VAL Chi-restraints excluded: chain Ah residue 467 LEU Chi-restraints excluded: chain Ah residue 473 LEU Chi-restraints excluded: chain Ap residue 13 VAL Chi-restraints excluded: chain Ap residue 15 THR Chi-restraints excluded: chain Ap residue 65 SER Chi-restraints excluded: chain Ap residue 70 ASN Chi-restraints excluded: chain Ap residue 78 LEU Chi-restraints excluded: chain Ap residue 96 LEU Chi-restraints excluded: chain Ap residue 155 THR Chi-restraints excluded: chain Ap residue 157 THR Chi-restraints excluded: chain Ap residue 170 ASP Chi-restraints excluded: chain Ap residue 175 HIS Chi-restraints excluded: chain Ap residue 178 LEU Chi-restraints excluded: chain Ap residue 190 LEU Chi-restraints excluded: chain Ap residue 200 TYR Chi-restraints excluded: chain Ap residue 211 ASN Chi-restraints excluded: chain Al residue 82 THR Chi-restraints excluded: chain Al residue 106 VAL Chi-restraints excluded: chain Al residue 114 LEU Chi-restraints excluded: chain Al residue 146 VAL Chi-restraints excluded: chain Al residue 150 VAL Chi-restraints excluded: chain Al residue 159 THR Chi-restraints excluded: chain Al residue 187 ASP Chi-restraints excluded: chain Al residue 202 THR Chi-restraints excluded: chain Al residue 232 MET Chi-restraints excluded: chain Al residue 236 SER Chi-restraints excluded: chain Al residue 245 VAL Chi-restraints excluded: chain Al residue 257 GLU Chi-restraints excluded: chain Al residue 264 VAL Chi-restraints excluded: chain Al residue 266 TRP Chi-restraints excluded: chain Ab residue 8 CYS Chi-restraints excluded: chain Ab residue 81 VAL Chi-restraints excluded: chain Ab residue 83 PHE Chi-restraints excluded: chain Ab residue 109 VAL Chi-restraints excluded: chain Ab residue 112 THR Chi-restraints excluded: chain Ab residue 138 THR Chi-restraints excluded: chain Ab residue 146 VAL Chi-restraints excluded: chain Ab residue 164 VAL Chi-restraints excluded: chain Aa residue 48 VAL Chi-restraints excluded: chain Aa residue 62 VAL Chi-restraints excluded: chain Aa residue 80 ASP Chi-restraints excluded: chain Aa residue 88 THR Chi-restraints excluded: chain Aa residue 90 THR Chi-restraints excluded: chain Aa residue 96 ARG Chi-restraints excluded: chain Aa residue 102 ASP Chi-restraints excluded: chain Aa residue 105 VAL Chi-restraints excluded: chain Aa residue 141 SER Chi-restraints excluded: chain Aa residue 147 ILE Chi-restraints excluded: chain Aa residue 152 ILE Chi-restraints excluded: chain Aa residue 155 THR Chi-restraints excluded: chain BP residue -37 THR Chi-restraints excluded: chain BP residue -33 SER Chi-restraints excluded: chain BP residue -4 THR Chi-restraints excluded: chain BP residue -3 HIS Chi-restraints excluded: chain BP residue -2 ILE Chi-restraints excluded: chain BP residue 3 HIS Chi-restraints excluded: chain BP residue 16 SER Chi-restraints excluded: chain BP residue 32 ILE Chi-restraints excluded: chain Az residue 36 HIS Chi-restraints excluded: chain Az residue 37 LYS Chi-restraints excluded: chain Az residue 74 ASN Chi-restraints excluded: chain Az residue 94 ASP Chi-restraints excluded: chain Az residue 113 VAL Chi-restraints excluded: chain Az residue 139 SER Chi-restraints excluded: chain Am residue 80 ASP Chi-restraints excluded: chain Am residue 140 TYR Chi-restraints excluded: chain Am residue 183 VAL Chi-restraints excluded: chain Am residue 230 ASP Chi-restraints excluded: chain Am residue 244 VAL Chi-restraints excluded: chain Am residue 265 SER Chi-restraints excluded: chain Am residue 279 GLN Chi-restraints excluded: chain Am residue 289 GLU Chi-restraints excluded: chain Am residue 310 LEU Chi-restraints excluded: chain Am residue 325 PHE Chi-restraints excluded: chain As residue 64 LEU Chi-restraints excluded: chain As residue 71 THR Chi-restraints excluded: chain As residue 86 THR Chi-restraints excluded: chain As residue 124 VAL Chi-restraints excluded: chain As residue 153 LEU Chi-restraints excluded: chain As residue 182 THR Chi-restraints excluded: chain As residue 186 LEU Chi-restraints excluded: chain BG residue 1267 ASP Chi-restraints excluded: chain BG residue 1277 THR Chi-restraints excluded: chain BG residue 1282 THR Chi-restraints excluded: chain BG residue 1295 THR Chi-restraints excluded: chain BG residue 1314 ASP Chi-restraints excluded: chain Ad residue 24 TYR Chi-restraints excluded: chain Ad residue 44 GLN Chi-restraints excluded: chain Ad residue 52 THR Chi-restraints excluded: chain Ad residue 60 LEU Chi-restraints excluded: chain Ad residue 77 LEU Chi-restraints excluded: chain Ad residue 138 VAL Chi-restraints excluded: chain Ad residue 161 SER Chi-restraints excluded: chain Aw residue 6 VAL Chi-restraints excluded: chain Aw residue 53 VAL Chi-restraints excluded: chain Aw residue 55 ASP Chi-restraints excluded: chain Aw residue 63 LEU Chi-restraints excluded: chain Aw residue 116 SER Chi-restraints excluded: chain Aw residue 159 VAL Chi-restraints excluded: chain BH residue 79 THR Chi-restraints excluded: chain BH residue 89 VAL Chi-restraints excluded: chain BH residue 113 ASP Chi-restraints excluded: chain BH residue 127 THR Chi-restraints excluded: chain BH residue 157 VAL Chi-restraints excluded: chain Aj residue 259 THR Chi-restraints excluded: chain Aj residue 308 THR Chi-restraints excluded: chain Aj residue 309 VAL Chi-restraints excluded: chain Aj residue 330 LEU Chi-restraints excluded: chain Aj residue 359 VAL Chi-restraints excluded: chain Aj residue 373 PHE Chi-restraints excluded: chain Aj residue 386 VAL Chi-restraints excluded: chain Aj residue 395 ASP Chi-restraints excluded: chain Aj residue 421 VAL Chi-restraints excluded: chain Aj residue 453 ILE Chi-restraints excluded: chain Aj residue 463 VAL Chi-restraints excluded: chain Aj residue 467 VAL Chi-restraints excluded: chain Aj residue 470 MET Chi-restraints excluded: chain Ar residue 20 ILE Chi-restraints excluded: chain Ar residue 38 GLU Chi-restraints excluded: chain Ar residue 40 ARG Chi-restraints excluded: chain Ar residue 42 ILE Chi-restraints excluded: chain Ar residue 73 ASP Chi-restraints excluded: chain Ar residue 106 THR Chi-restraints excluded: chain Ar residue 181 ARG Chi-restraints excluded: chain Ar residue 186 ASN Chi-restraints excluded: chain Ar residue 196 ARG Chi-restraints excluded: chain An residue 98 ARG Chi-restraints excluded: chain An residue 109 PHE Chi-restraints excluded: chain An residue 134 PHE Chi-restraints excluded: chain An residue 143 GLU Chi-restraints excluded: chain An residue 193 THR Chi-restraints excluded: chain An residue 196 LEU Chi-restraints excluded: chain An residue 214 VAL Chi-restraints excluded: chain An residue 246 LEU Chi-restraints excluded: chain An residue 265 ASP Chi-restraints excluded: chain An residue 274 GLU Chi-restraints excluded: chain BF residue 67 GLU Chi-restraints excluded: chain Av residue 90 ILE Chi-restraints excluded: chain Av residue 96 ASP Chi-restraints excluded: chain Av residue 98 VAL Chi-restraints excluded: chain Av residue 104 THR Chi-restraints excluded: chain BM residue 3 VAL Chi-restraints excluded: chain BM residue 20 LEU Chi-restraints excluded: chain BM residue 28 VAL Chi-restraints excluded: chain BM residue 72 TYR Chi-restraints excluded: chain BM residue 78 VAL Chi-restraints excluded: chain BM residue 109 THR Chi-restraints excluded: chain BM residue 129 LEU Chi-restraints excluded: chain BM residue 134 LYS Chi-restraints excluded: chain BM residue 136 CYS Chi-restraints excluded: chain BM residue 138 VAL Chi-restraints excluded: chain BM residue 159 MET Chi-restraints excluded: chain BM residue 191 GLU Chi-restraints excluded: chain BM residue 192 LEU Chi-restraints excluded: chain BM residue 233 VAL Chi-restraints excluded: chain BM residue 245 TYR Chi-restraints excluded: chain BM residue 252 VAL Chi-restraints excluded: chain BM residue 266 TRP Chi-restraints excluded: chain BM residue 308 THR Chi-restraints excluded: chain BM residue 311 CYS Chi-restraints excluded: chain BM residue 312 VAL Chi-restraints excluded: chain BM residue 327 LEU Chi-restraints excluded: chain BM residue 329 THR Chi-restraints excluded: chain BM residue 343 VAL Chi-restraints excluded: chain BM residue 349 LEU Chi-restraints excluded: chain Ag residue 56 SER Chi-restraints excluded: chain Ag residue 58 LEU Chi-restraints excluded: chain Ag residue 75 ARG Chi-restraints excluded: chain Ag residue 96 THR Chi-restraints excluded: chain Ag residue 97 CYS Chi-restraints excluded: chain Ag residue 98 ASP Chi-restraints excluded: chain Ag residue 99 VAL Chi-restraints excluded: chain Ag residue 126 SER Chi-restraints excluded: chain Bl residue 131 ILE Chi-restraints excluded: chain Bl residue 154 VAL Chi-restraints excluded: chain Bl residue 160 VAL Chi-restraints excluded: chain Bl residue 166 VAL Chi-restraints excluded: chain Bl residue 176 ILE Chi-restraints excluded: chain Bl residue 186 GLU Chi-restraints excluded: chain Bl residue 207 LEU Chi-restraints excluded: chain Bl residue 234 VAL Chi-restraints excluded: chain Bl residue 258 VAL Chi-restraints excluded: chain Ax residue 57 THR Chi-restraints excluded: chain Ax residue 77 HIS Chi-restraints excluded: chain Ax residue 94 ASP Chi-restraints excluded: chain Ax residue 168 SER Chi-restraints excluded: chain Ax residue 169 CYS Chi-restraints excluded: chain BS residue 286 LEU Chi-restraints excluded: chain BS residue 299 VAL Chi-restraints excluded: chain BS residue 303 ILE Chi-restraints excluded: chain BS residue 320 VAL Chi-restraints excluded: chain BS residue 380 TYR Chi-restraints excluded: chain BS residue 387 SER Chi-restraints excluded: chain BS residue 399 ILE Chi-restraints excluded: chain BS residue 411 SER Chi-restraints excluded: chain BY residue 108 ILE Chi-restraints excluded: chain BY residue 145 THR Chi-restraints excluded: chain BY residue 156 VAL Chi-restraints excluded: chain BY residue 158 VAL Chi-restraints excluded: chain BY residue 191 LEU Chi-restraints excluded: chain BY residue 204 THR Chi-restraints excluded: chain BY residue 225 ASP Chi-restraints excluded: chain BY residue 248 THR Chi-restraints excluded: chain BY residue 257 VAL Chi-restraints excluded: chain BY residue 266 GLU Chi-restraints excluded: chain BY residue 306 VAL Chi-restraints excluded: chain BY residue 349 SER Chi-restraints excluded: chain BX residue 78 VAL Chi-restraints excluded: chain BX residue 80 ASP Chi-restraints excluded: chain BX residue 82 VAL Chi-restraints excluded: chain BX residue 107 VAL Chi-restraints excluded: chain BX residue 145 THR Chi-restraints excluded: chain BX residue 147 VAL Chi-restraints excluded: chain BX residue 150 VAL Chi-restraints excluded: chain BX residue 158 VAL Chi-restraints excluded: chain BX residue 162 SER Chi-restraints excluded: chain BX residue 163 ASP Chi-restraints excluded: chain BX residue 188 ASN Chi-restraints excluded: chain BX residue 215 ASP Chi-restraints excluded: chain BX residue 242 THR Chi-restraints excluded: chain BX residue 246 ILE Chi-restraints excluded: chain BX residue 248 THR Chi-restraints excluded: chain BX residue 260 LEU Chi-restraints excluded: chain BX residue 261 LEU Chi-restraints excluded: chain BX residue 264 ILE Chi-restraints excluded: chain BX residue 270 LEU Chi-restraints excluded: chain BX residue 274 CYS Chi-restraints excluded: chain BX residue 341 SER Chi-restraints excluded: chain BZ residue 51 LYS Chi-restraints excluded: chain BZ residue 54 GLU Chi-restraints excluded: chain BZ residue 61 THR Chi-restraints excluded: chain BZ residue 65 PHE Chi-restraints excluded: chain BZ residue 95 TYR Chi-restraints excluded: chain BZ residue 97 TYR Chi-restraints excluded: chain BZ residue 98 ARG Chi-restraints excluded: chain BZ residue 103 LYS Chi-restraints excluded: chain BZ residue 108 LEU Chi-restraints excluded: chain BZ residue 109 THR Chi-restraints excluded: chain BZ residue 115 ASP Chi-restraints excluded: chain BZ residue 118 VAL Chi-restraints excluded: chain BZ residue 120 VAL Chi-restraints excluded: chain BZ residue 125 PHE Chi-restraints excluded: chain BZ residue 183 VAL Chi-restraints excluded: chain BZ residue 185 ILE Chi-restraints excluded: chain BZ residue 189 HIS Chi-restraints excluded: chain BZ residue 213 ILE Chi-restraints excluded: chain BZ residue 227 LEU Chi-restraints excluded: chain BZ residue 286 THR Chi-restraints excluded: chain BZ residue 311 ILE Chi-restraints excluded: chain BZ residue 317 THR Chi-restraints excluded: chain BZ residue 322 GLN Chi-restraints excluded: chain BZ residue 345 SER Chi-restraints excluded: chain BZ residue 347 PHE Chi-restraints excluded: chain BZ residue 351 LEU Chi-restraints excluded: chain BZ residue 400 LEU Chi-restraints excluded: chain CC residue 70 ASP Chi-restraints excluded: chain CC residue 100 VAL Chi-restraints excluded: chain CC residue 105 LEU Chi-restraints excluded: chain CC residue 138 ASP Chi-restraints excluded: chain CD residue 60 THR Chi-restraints excluded: chain CD residue 80 VAL Chi-restraints excluded: chain CD residue 100 ARG Chi-restraints excluded: chain CD residue 118 LEU Chi-restraints excluded: chain BT residue 76 LEU Chi-restraints excluded: chain BT residue 138 CYS Chi-restraints excluded: chain BT residue 146 VAL Chi-restraints excluded: chain BT residue 151 THR Chi-restraints excluded: chain BT residue 178 THR Chi-restraints excluded: chain BT residue 205 VAL Chi-restraints excluded: chain BT residue 220 LEU Chi-restraints excluded: chain BT residue 235 THR Chi-restraints excluded: chain BT residue 258 ASP Chi-restraints excluded: chain BT residue 266 VAL Chi-restraints excluded: chain BT residue 289 LEU Chi-restraints excluded: chain BT residue 298 ASP Chi-restraints excluded: chain BT residue 305 GLU Chi-restraints excluded: chain BT residue 313 THR Chi-restraints excluded: chain BT residue 329 HIS Chi-restraints excluded: chain BT residue 339 ILE Chi-restraints excluded: chain BT residue 343 VAL Chi-restraints excluded: chain BU residue 31 VAL Chi-restraints excluded: chain BU residue 36 ARG Chi-restraints excluded: chain BU residue 39 SER Chi-restraints excluded: chain BU residue 42 SER Chi-restraints excluded: chain BU residue 60 ILE Chi-restraints excluded: chain BU residue 73 GLU Chi-restraints excluded: chain BU residue 78 LEU Chi-restraints excluded: chain BU residue 103 THR Chi-restraints excluded: chain BU residue 111 ILE Chi-restraints excluded: chain BU residue 116 VAL Chi-restraints excluded: chain BU residue 179 LEU Chi-restraints excluded: chain BU residue 225 THR Chi-restraints excluded: chain BU residue 231 VAL Chi-restraints excluded: chain BU residue 263 THR Chi-restraints excluded: chain BU residue 271 CYS Chi-restraints excluded: chain BU residue 273 TYR Chi-restraints excluded: chain BU residue 274 LYS Chi-restraints excluded: chain BU residue 277 LYS Chi-restraints excluded: chain BU residue 282 ASP Chi-restraints excluded: chain BU residue 283 THR Chi-restraints excluded: chain BU residue 309 ILE Chi-restraints excluded: chain BU residue 315 VAL Chi-restraints excluded: chain BU residue 320 ASP Chi-restraints excluded: chain BU residue 325 HIS Chi-restraints excluded: chain BU residue 345 VAL Chi-restraints excluded: chain BU residue 355 LEU Chi-restraints excluded: chain BU residue 360 THR Chi-restraints excluded: chain BU residue 365 ASP Chi-restraints excluded: chain BU residue 366 PHE Chi-restraints excluded: chain BU residue 374 GLU Chi-restraints excluded: chain BU residue 375 VAL Chi-restraints excluded: chain BU residue 386 HIS Chi-restraints excluded: chain BU residue 396 ASP Chi-restraints excluded: chain BU residue 427 ILE Chi-restraints excluded: chain BU residue 447 PHE Chi-restraints excluded: chain BU residue 448 LEU Chi-restraints excluded: chain BU residue 481 VAL Chi-restraints excluded: chain BW residue 100 SER Chi-restraints excluded: chain BW residue 111 VAL Chi-restraints excluded: chain BW residue 113 ASP Chi-restraints excluded: chain BW residue 142 THR Chi-restraints excluded: chain BW residue 148 LEU Chi-restraints excluded: chain BW residue 161 GLU Chi-restraints excluded: chain BW residue 173 GLN Chi-restraints excluded: chain BW residue 194 ILE Chi-restraints excluded: chain BW residue 205 GLN Chi-restraints excluded: chain BW residue 206 LEU Chi-restraints excluded: chain BW residue 207 GLN Chi-restraints excluded: chain BW residue 210 CYS Chi-restraints excluded: chain BW residue 223 CYS Chi-restraints excluded: chain BW residue 241 THR Chi-restraints excluded: chain BW residue 244 ASP Chi-restraints excluded: chain BW residue 245 VAL Chi-restraints excluded: chain BW residue 249 ASP Chi-restraints excluded: chain BW residue 253 ILE Chi-restraints excluded: chain BW residue 265 GLU Chi-restraints excluded: chain BW residue 303 LEU Chi-restraints excluded: chain BW residue 509 THR Chi-restraints excluded: chain BW residue 519 THR Chi-restraints excluded: chain BW residue 526 LEU Chi-restraints excluded: chain BW residue 565 VAL Chi-restraints excluded: chain BW residue 574 VAL Chi-restraints excluded: chain BW residue 578 ILE Chi-restraints excluded: chain BW residue 605 VAL Chi-restraints excluded: chain BW residue 613 GLN Chi-restraints excluded: chain BW residue 639 ASP Chi-restraints excluded: chain BW residue 650 THR Chi-restraints excluded: chain BW residue 652 LYS Chi-restraints excluded: chain BW residue 656 LEU Chi-restraints excluded: chain BW residue 660 TYR Chi-restraints excluded: chain BV residue 105 LYS Chi-restraints excluded: chain BV residue 135 LEU Chi-restraints excluded: chain BV residue 157 ARG Chi-restraints excluded: chain BV residue 227 THR Chi-restraints excluded: chain BV residue 303 LEU Chi-restraints excluded: chain BV residue 323 THR Chi-restraints excluded: chain BR residue 45 SER Chi-restraints excluded: chain BR residue 59 THR Chi-restraints excluded: chain BR residue 69 THR Chi-restraints excluded: chain BR residue 78 ILE Chi-restraints excluded: chain BR residue 131 THR Chi-restraints excluded: chain BR residue 276 SER Chi-restraints excluded: chain BR residue 281 THR Rotamers are restrained with sigma=5.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1589 random chunks: chunk 1341 optimal weight: 5.9990 chunk 1204 optimal weight: 9.9990 chunk 668 optimal weight: 8.9990 chunk 411 optimal weight: 6.9990 chunk 812 optimal weight: 20.0000 chunk 643 optimal weight: 4.9990 chunk 1245 optimal weight: 9.9990 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: 7.1990 ------------------------------------------------------------------------------- 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 ** B 33 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B 60 HIS ** B 124 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B 156 ASN ** B 169 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B 170 HIS B 172 HIS B 177 HIS ** B 200 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 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 24 ASN ** 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 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 91 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** L 111 HIS L 149 ASN M 19 GLN M 29 GLN M 31 HIS M 76 ASN M 230 HIS ** N 55 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 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 116 HIS ** Q 119 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 175 GLN R 176 GLN S 287 GLN S 384 HIS S 392 GLN V 20 GLN ** V 38 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 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 217 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 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 470 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** CA 562 ASN CA 607 HIS BB 55 GLN ** CB 58 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** CB 108 HIS CB 117 GLN ** CB 170 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 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 608 HIS ** BK 630 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BK 633 HIS BK 772 HIS BK 802 HIS BK 807 GLN BQ 22 HIS BQ 25 HIS BQ 41 HIS BQ 117 ASN ** BQ 183 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** BQ 202 ASN BQ 229 ASN BQ 271 HIS 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 161 GLN Au 122 HIS 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 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 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 ** Az 39 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Az 60 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Az 76 HIS Az 107 GLN Az 128 GLN 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 149 GLN BG1268 GLN Ad 84 GLN Ad 230 HIS Aw 46 ASN Aw 56 ASN Aw 89 HIS ** Aw 152 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 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 341 ASN 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 ** both conformations clash, **PLEASE CHECK MANUALLY** ** An 138 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** An 220 GLN An 244 HIS ** 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** ** 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 292 GLN 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 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 BT 152 HIS ** 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 173 GLN BW 207 GLN BW 283 HIS BW 374 HIS BW 525 GLN ** BW 558 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BW 579 ASN BW 642 GLN BV 232 HIS ** BV 324 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** BR 43 HIS BR 80 HIS BR 113 GLN ** BR 246 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 192 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7527 moved from start: 0.1547 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= 0.530 Angle : 0.869 28.189 200058 Z= 0.447 Chirality : 0.052 2.220 22406 Planarity : 0.007 0.161 23035 Dihedral : 21.115 179.492 30761 Min Nonbonded Distance : 1.355 Molprobity Statistics. All-atom Clashscore : 22.48 Ramachandran Plot: Outliers : 0.25 % Allowed : 13.71 % Favored : 86.04 % Rotamer: Outliers : 8.53 % Allowed : 23.14 % Favored : 68.33 % Cbeta Deviations : 0.01 % Peptide Plane: Cis-proline : 0.43 % Cis-general : 0.08 % Twisted Proline : 0.43 % 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: -4.68 (0.06), residues: 15214 helix: -3.22 (0.05), residues: 5382 sheet: -3.12 (0.14), residues: 1080 loop : -3.13 (0.06), residues: 8752 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.027 0.002 TRPBZ 80 HIS 0.020 0.001 HISCD 53 PHE 0.035 0.002 PHEBT 196 TYR 0.043 0.002 TYR G 308 ARG 0.050 0.001 ARGAw 81 *********************** 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 3049 residues out of total 12517 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 1068 poor density : 1981 time to evaluate : 10.905 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 272 ARG cc_start: 0.7706 (tpm170) cc_final: 0.7503 (tpm170) REVERT: A 346 GLU cc_start: 0.6733 (OUTLIER) cc_final: 0.5918 (pm20) REVERT: B 86 MET cc_start: 0.7367 (tpp) cc_final: 0.7108 (tpp) REVERT: B 191 MET cc_start: 0.8441 (tpp) cc_final: 0.8019 (tpt) REVERT: C 73 MET cc_start: 0.7995 (mmt) cc_final: 0.7723 (mmt) REVERT: C 159 GLU cc_start: 0.7546 (OUTLIER) cc_final: 0.7206 (mm-30) REVERT: E 187 MET cc_start: 0.6911 (mmm) cc_final: 0.6023 (mmm) REVERT: E 210 TYR cc_start: 0.5682 (OUTLIER) cc_final: 0.5470 (t80) REVERT: F 4 GLN cc_start: 0.8672 (OUTLIER) cc_final: 0.8441 (tt0) REVERT: F 87 LEU cc_start: 0.9055 (mt) cc_final: 0.8807 (mt) REVERT: G 228 TYR cc_start: 0.7370 (OUTLIER) cc_final: 0.6597 (p90) REVERT: G 310 HIS cc_start: 0.5066 (m-70) cc_final: 0.4700 (m90) REVERT: I 98 ASP cc_start: 0.7501 (OUTLIER) cc_final: 0.7186 (m-30) REVERT: I 117 TYR cc_start: 0.7642 (m-10) cc_final: 0.7231 (m-10) REVERT: J 5 GLU cc_start: 0.7425 (OUTLIER) cc_final: 0.7024 (tm-30) REVERT: J 6 ARG cc_start: 0.8292 (OUTLIER) cc_final: 0.7341 (ttt-90) REVERT: J 70 LEU cc_start: 0.8491 (tp) cc_final: 0.7869 (tp) REVERT: J 71 ILE cc_start: 0.8330 (OUTLIER) cc_final: 0.8101 (mp) REVERT: J 91 TYR cc_start: 0.8284 (t80) cc_final: 0.7794 (t80) REVERT: L 75 GLU cc_start: 0.7318 (tp30) cc_final: 0.7066 (tp30) REVERT: L 101 ARG cc_start: 0.7305 (OUTLIER) cc_final: 0.7075 (ptp90) REVERT: M 210 ASP cc_start: 0.7546 (m-30) cc_final: 0.7243 (m-30) REVERT: M 211 LYS cc_start: 0.8737 (OUTLIER) cc_final: 0.8430 (mttt) REVERT: N 61 ARG cc_start: 0.6335 (OUTLIER) cc_final: 0.4218 (pmt-80) REVERT: N 66 ARG cc_start: 0.7511 (ttt-90) cc_final: 0.7296 (ttt-90) REVERT: N 160 ASN cc_start: 0.8610 (OUTLIER) cc_final: 0.8384 (m-40) REVERT: O 26 MET cc_start: 0.6818 (tpp) cc_final: 0.6273 (tpp) REVERT: O 77 ASP cc_start: 0.7282 (OUTLIER) cc_final: 0.7039 (m-30) REVERT: O 92 GLU cc_start: 0.6908 (tt0) cc_final: 0.6583 (tt0) REVERT: O 130 GLU cc_start: 0.7371 (OUTLIER) cc_final: 0.7039 (pp20) REVERT: Q 157 ARG cc_start: 0.8329 (OUTLIER) cc_final: 0.7598 (ttm110) REVERT: Q 206 MET cc_start: 0.4808 (mtm) cc_final: 0.4571 (ttm) REVERT: R 72 GLN cc_start: 0.8885 (OUTLIER) cc_final: 0.8586 (tp-100) REVERT: R 175 MET cc_start: 0.6826 (mtp) cc_final: 0.6268 (ttt) REVERT: S 256 ASN cc_start: 0.8136 (m110) cc_final: 0.7911 (m110) REVERT: S 272 GLU cc_start: 0.7672 (mp0) cc_final: 0.7259 (mp0) REVERT: S 377 LYS cc_start: 0.8331 (OUTLIER) cc_final: 0.8077 (mmtm) REVERT: T 55 GLU cc_start: 0.6959 (pt0) cc_final: 0.6710 (pt0) REVERT: T 62 LEU cc_start: 0.8388 (OUTLIER) cc_final: 0.7952 (mt) REVERT: V 47 MET cc_start: 0.8807 (mtp) cc_final: 0.8440 (mtp) REVERT: V 142 LYS cc_start: 0.7089 (OUTLIER) cc_final: 0.6485 (mptt) REVERT: BA 122 ARG cc_start: 0.7561 (ttp-170) cc_final: 0.7021 (mtm110) REVERT: CA 276 ASN cc_start: 0.8638 (OUTLIER) cc_final: 0.8165 (t0) REVERT: CA 285 ILE cc_start: 0.7774 (OUTLIER) cc_final: 0.7514 (mp) REVERT: CA 380 MET cc_start: 0.9048 (tpp) cc_final: 0.8660 (mpp) REVERT: BB 13 LYS cc_start: 0.8365 (mtpp) cc_final: 0.8143 (mtpt) REVERT: BB 33 ARG cc_start: 0.7988 (OUTLIER) cc_final: 0.7231 (ttp-110) REVERT: BK 238 LEU cc_start: 0.8493 (OUTLIER) cc_final: 0.8269 (mt) REVERT: BK 439 ASP cc_start: 0.7444 (p0) cc_final: 0.7107 (p0) REVERT: BK 473 ARG cc_start: 0.5695 (OUTLIER) cc_final: 0.5481 (tpt90) REVERT: BQ 71 LEU cc_start: 0.8359 (OUTLIER) cc_final: 0.8058 (mt) REVERT: BQ 354 LEU cc_start: 0.5649 (OUTLIER) cc_final: 0.5348 (tt) REVERT: BQ 428 ARG cc_start: 0.8590 (OUTLIER) cc_final: 0.7729 (mtp85) REVERT: BQ 441 SER cc_start: 0.7440 (OUTLIER) cc_final: 0.7231 (p) REVERT: BN 121 PHE cc_start: 0.7971 (OUTLIER) cc_final: 0.6737 (m-80) REVERT: BO 165 ARG cc_start: 0.7592 (ttt-90) cc_final: 0.7263 (ttt90) REVERT: BO 177 LYS cc_start: 0.8750 (OUTLIER) cc_final: 0.7626 (mppt) REVERT: At 56 ASN cc_start: 0.8169 (p0) cc_final: 0.7956 (p0) REVERT: Au 130 TYR cc_start: 0.7156 (t80) cc_final: 0.6775 (t80) REVERT: Ae 76 MET cc_start: 0.7390 (mtt) cc_final: 0.7088 (mtt) REVERT: Af 68 SER cc_start: 0.8414 (p) cc_final: 0.7821 (m) REVERT: Ah 122 TRP cc_start: 0.7884 (m100) cc_final: 0.7402 (m100) REVERT: Ah 172 LYS cc_start: 0.4437 (tttt) cc_final: 0.4199 (tttt) REVERT: Ah 315 LYS cc_start: 0.7386 (mttt) cc_final: 0.7115 (mttm) REVERT: Ah 366 MET cc_start: 0.6314 (ptm) cc_final: 0.5809 (ptm) REVERT: Ap 222 ARG cc_start: 0.4349 (ttt-90) cc_final: 0.3912 (mmt180) REVERT: Al 267 ASP cc_start: 0.8157 (p0) cc_final: 0.7852 (p0) REVERT: Ab 156 GLU cc_start: 0.7505 (mt-10) cc_final: 0.7298 (mt-10) REVERT: Ab 157 GLU cc_start: 0.6447 (mm-30) cc_final: 0.6090 (mm-30) REVERT: BP 4 HIS cc_start: 0.8324 (OUTLIER) cc_final: 0.7841 (m-70) REVERT: Az 85 ASN cc_start: 0.7331 (OUTLIER) cc_final: 0.6961 (p0) REVERT: Am 140 TYR cc_start: 0.7532 (OUTLIER) cc_final: 0.6249 (p90) REVERT: Am 279 GLN cc_start: 0.7934 (OUTLIER) cc_final: 0.7584 (mp-120) REVERT: Am 289 GLU cc_start: 0.5923 (OUTLIER) cc_final: 0.5678 (tt0) REVERT: BG 1263 HIS cc_start: 0.4271 (t-90) cc_final: 0.3942 (t-90) REVERT: Ad 199 LEU cc_start: 0.8502 (mt) cc_final: 0.8279 (mt) REVERT: Aw 31 TYR cc_start: 0.8434 (t80) cc_final: 0.8167 (t80) REVERT: BH 97 THR cc_start: 0.7363 (p) cc_final: 0.7153 (p) REVERT: Ar 25 THR cc_start: 0.5851 (t) cc_final: 0.5297 (t) REVERT: Ar 26 ARG cc_start: 0.7687 (ptm-80) cc_final: 0.7156 (ptm-80) REVERT: Ar 38 GLU cc_start: 0.4813 (OUTLIER) cc_final: 0.2952 (mt-10) REVERT: Ar 40 ARG cc_start: 0.5831 (OUTLIER) cc_final: 0.2006 (pmt-80) REVERT: Ar 169 LEU cc_start: 0.8868 (OUTLIER) cc_final: 0.8599 (tp) REVERT: An 134 PHE cc_start: 0.2478 (OUTLIER) cc_final: 0.1817 (p90) REVERT: BF 103 HIS cc_start: 0.6954 (p90) cc_final: 0.6736 (p-80) REVERT: Av 76 MET cc_start: 0.4877 (mpp) cc_final: 0.3577 (pmm) REVERT: BM 43 TYR cc_start: 0.4644 (t80) cc_final: 0.3567 (m-80) REVERT: BM 261 PHE cc_start: 0.7179 (t80) cc_final: 0.6659 (t80) REVERT: BM 326 TYR cc_start: 0.5481 (OUTLIER) cc_final: 0.5080 (t80) REVERT: Ag 40 TRP cc_start: 0.8429 (t-100) cc_final: 0.8215 (t-100) REVERT: Ag 75 ARG cc_start: 0.7287 (tpp-160) cc_final: 0.5770 (ttm-80) REVERT: Ag 109 GLN cc_start: 0.7220 (tp40) cc_final: 0.6903 (tp40) REVERT: Bl 164 ASP cc_start: 0.5943 (p0) cc_final: 0.5623 (p0) REVERT: Ax 154 HIS cc_start: 0.6715 (OUTLIER) cc_final: 0.6370 (t70) REVERT: Ax 173 ARG cc_start: 0.2040 (mtt180) cc_final: 0.1658 (mmm160) REVERT: Ax 175 ILE cc_start: 0.6404 (tp) cc_final: 0.6036 (pt) REVERT: Ax 180 ARG cc_start: 0.5758 (mmt-90) cc_final: 0.4793 (ttt90) REVERT: Ax 183 HIS cc_start: 0.8091 (OUTLIER) cc_final: 0.7702 (m-70) REVERT: Ax 205 ARG cc_start: 0.3579 (mmm160) cc_final: 0.3233 (ttt180) REVERT: Ax 208 MET cc_start: 0.7607 (ppp) cc_final: 0.6960 (ppp) REVERT: BS 408 GLN cc_start: 0.7585 (mt0) cc_final: 0.6959 (pm20) REVERT: BY 130 GLU cc_start: 0.4432 (OUTLIER) cc_final: 0.3987 (tm-30) REVERT: BY 140 HIS cc_start: 0.4248 (OUTLIER) cc_final: 0.3714 (m-70) REVERT: BX 177 LYS cc_start: 0.7973 (tppt) cc_final: 0.7308 (tptt) REVERT: BX 213 GLN cc_start: 0.7454 (mm110) cc_final: 0.7119 (mp10) REVERT: BZ 65 PHE cc_start: 0.7399 (OUTLIER) cc_final: 0.6810 (t80) REVERT: BZ 86 LYS cc_start: 0.8321 (ttpt) cc_final: 0.7982 (tttp) REVERT: BZ 98 ARG cc_start: 0.8182 (OUTLIER) cc_final: 0.7253 (ttm170) REVERT: BZ 107 ARG cc_start: 0.8065 (OUTLIER) cc_final: 0.5561 (mmp-170) REVERT: BZ 194 MET cc_start: 0.6907 (ttp) cc_final: 0.6517 (tpp) REVERT: BZ 344 GLU cc_start: 0.6015 (mp0) cc_final: 0.4069 (mm-30) REVERT: CC 71 LYS cc_start: 0.7644 (tmtt) cc_final: 0.6317 (mmpt) REVERT: CC 87 LYS cc_start: 0.4807 (mttt) cc_final: 0.4381 (tptt) REVERT: CC 92 LYS cc_start: 0.5833 (ttpt) cc_final: 0.5228 (mptt) REVERT: BT 139 TRP cc_start: 0.7374 (m-90) cc_final: 0.6878 (p-90) REVERT: BT 200 ARG cc_start: 0.4478 (mmm160) cc_final: 0.3698 (ttp-110) REVERT: BT 229 TYR cc_start: 0.7267 (OUTLIER) cc_final: 0.6382 (m-10) REVERT: BU 54 MET cc_start: 0.4393 (tmm) cc_final: 0.3765 (tmm) REVERT: BU 124 GLU cc_start: 0.6691 (mt-10) cc_final: 0.6481 (mt-10) REVERT: BU 130 TYR cc_start: 0.7720 (t80) cc_final: 0.7334 (t80) REVERT: BU 175 LYS cc_start: 0.8280 (mttp) cc_final: 0.7840 (mmmt) REVERT: BU 216 MET cc_start: 0.6173 (tmm) cc_final: 0.5722 (tmm) REVERT: BU 340 GLU cc_start: 0.7271 (mm-30) cc_final: 0.6769 (mm-30) REVERT: BU 447 PHE cc_start: 0.7678 (OUTLIER) cc_final: 0.7406 (m-80) REVERT: BW 108 LYS cc_start: 0.4980 (mmtt) cc_final: 0.4107 (mptt) REVERT: BW 113 ASP cc_start: 0.7707 (OUTLIER) cc_final: 0.6944 (t0) REVERT: BW 206 LEU cc_start: 0.9042 (OUTLIER) cc_final: 0.8671 (mp) REVERT: BW 265 GLU cc_start: 0.8253 (OUTLIER) cc_final: 0.7825 (tp30) REVERT: BW 374 HIS cc_start: 0.6212 (OUTLIER) cc_final: 0.5699 (p90) REVERT: BW 598 ARG cc_start: 0.8693 (OUTLIER) cc_final: 0.8357 (mtp180) REVERT: BW 654 ASN cc_start: 0.5037 (OUTLIER) cc_final: 0.4687 (p0) REVERT: BW 660 TYR cc_start: 0.7678 (OUTLIER) cc_final: 0.6758 (t80) REVERT: BV 156 TRP cc_start: 0.5662 (m-10) cc_final: 0.5377 (m-90) REVERT: BV 164 ARG cc_start: 0.6000 (mmm-85) cc_final: 0.5755 (mmt180) REVERT: BV 192 TRP cc_start: 0.7613 (t60) cc_final: 0.7378 (t60) REVERT: BV 282 GLN cc_start: 0.7799 (tp40) cc_final: 0.7516 (tt0) outliers start: 1068 outliers final: 725 residues processed: 2848 average time/residue: 1.1901 time to fit residues: 5893.4006 Evaluate side-chains 2618 residues out of total 12517 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 782 poor density : 1836 time to evaluate : 10.918 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 49 MET Chi-restraints excluded: chain A residue 107 LEU Chi-restraints excluded: chain A residue 110 ASP Chi-restraints excluded: chain A residue 112 TYR Chi-restraints excluded: chain A residue 140 THR Chi-restraints excluded: chain A residue 145 ASP Chi-restraints excluded: chain A residue 185 VAL Chi-restraints excluded: chain A residue 203 VAL Chi-restraints excluded: chain A residue 214 VAL Chi-restraints excluded: chain A residue 228 VAL Chi-restraints excluded: chain A residue 237 VAL Chi-restraints excluded: chain A residue 255 HIS Chi-restraints excluded: chain A residue 257 PHE Chi-restraints excluded: chain A residue 262 VAL Chi-restraints excluded: chain A residue 275 CYS Chi-restraints excluded: chain A residue 334 ASP Chi-restraints excluded: chain A residue 335 THR Chi-restraints excluded: chain A residue 346 GLU Chi-restraints excluded: chain A residue 355 THR Chi-restraints excluded: chain A residue 365 SER Chi-restraints excluded: chain A residue 381 MET Chi-restraints excluded: chain B residue 9 VAL Chi-restraints excluded: chain B residue 28 VAL Chi-restraints excluded: chain B residue 42 ASN Chi-restraints excluded: chain B residue 55 SER Chi-restraints excluded: chain B residue 70 LEU Chi-restraints excluded: chain B residue 80 VAL Chi-restraints excluded: chain B residue 94 VAL Chi-restraints excluded: chain B residue 104 THR Chi-restraints excluded: chain B residue 181 VAL Chi-restraints excluded: chain B residue 190 THR Chi-restraints excluded: chain B residue 242 HIS Chi-restraints excluded: chain B residue 257 THR Chi-restraints excluded: chain B residue 262 TYR Chi-restraints excluded: chain B residue 263 ASP Chi-restraints excluded: chain B residue 273 ASN Chi-restraints excluded: chain B residue 300 THR Chi-restraints excluded: chain B residue 312 ILE Chi-restraints excluded: chain B residue 334 LEU Chi-restraints excluded: chain B residue 345 LEU Chi-restraints excluded: chain B residue 411 SER Chi-restraints excluded: chain C residue 44 ASP Chi-restraints excluded: chain C residue 59 THR Chi-restraints excluded: chain C residue 88 THR Chi-restraints excluded: chain C residue 115 VAL Chi-restraints excluded: chain C residue 118 LEU Chi-restraints excluded: chain C residue 136 THR Chi-restraints excluded: chain C residue 149 LEU Chi-restraints excluded: chain C residue 151 GLN Chi-restraints excluded: chain C residue 158 THR Chi-restraints excluded: chain C residue 159 GLU Chi-restraints excluded: chain C residue 178 ILE Chi-restraints excluded: chain C residue 203 ILE Chi-restraints excluded: chain C residue 213 ASP Chi-restraints excluded: chain E residue 19 ILE Chi-restraints excluded: chain E residue 24 ASN Chi-restraints excluded: chain E residue 44 PHE Chi-restraints excluded: chain E residue 51 HIS Chi-restraints excluded: chain E residue 64 THR Chi-restraints excluded: chain E residue 102 VAL Chi-restraints excluded: chain E residue 109 ASP Chi-restraints excluded: chain E residue 121 THR Chi-restraints excluded: chain E residue 176 ARG Chi-restraints excluded: chain E residue 181 VAL Chi-restraints excluded: chain E residue 196 THR Chi-restraints excluded: chain E residue 197 VAL Chi-restraints excluded: chain E residue 202 VAL Chi-restraints excluded: chain E residue 210 TYR Chi-restraints excluded: chain E residue 214 SER Chi-restraints excluded: chain F residue 4 GLN Chi-restraints excluded: chain F residue 59 ASP Chi-restraints excluded: chain F residue 76 THR Chi-restraints excluded: chain F residue 104 LYS Chi-restraints excluded: chain F residue 107 VAL Chi-restraints excluded: chain F residue 129 GLU Chi-restraints excluded: chain F residue 132 VAL Chi-restraints excluded: chain G residue 34 LEU Chi-restraints excluded: chain G residue 35 ILE Chi-restraints excluded: chain G residue 68 THR Chi-restraints excluded: chain G residue 71 ASN Chi-restraints excluded: chain G residue 76 THR Chi-restraints excluded: chain G residue 90 ILE Chi-restraints excluded: chain G residue 104 VAL Chi-restraints excluded: chain G residue 217 VAL Chi-restraints excluded: chain G residue 226 VAL Chi-restraints excluded: chain G residue 228 TYR Chi-restraints excluded: chain G residue 230 LEU Chi-restraints excluded: chain G residue 242 ILE Chi-restraints excluded: chain G residue 262 LEU Chi-restraints excluded: chain G residue 269 GLU Chi-restraints excluded: chain G residue 321 ILE Chi-restraints excluded: chain G residue 322 ARG Chi-restraints excluded: chain G residue 326 ASP Chi-restraints excluded: chain I residue 34 THR Chi-restraints excluded: chain I residue 84 ILE Chi-restraints excluded: chain I residue 98 ASP Chi-restraints excluded: chain I residue 186 PHE Chi-restraints excluded: chain I residue 227 LEU Chi-restraints excluded: chain I residue 247 ASP Chi-restraints excluded: chain I residue 263 LEU Chi-restraints excluded: chain J residue 3 THR Chi-restraints excluded: chain J residue 5 GLU Chi-restraints excluded: chain J residue 6 ARG Chi-restraints excluded: chain J residue 20 PHE Chi-restraints excluded: chain J residue 37 ILE Chi-restraints excluded: chain J residue 48 THR Chi-restraints excluded: chain J residue 71 ILE Chi-restraints excluded: chain J residue 73 THR Chi-restraints excluded: chain J residue 84 ILE Chi-restraints excluded: chain J residue 90 VAL Chi-restraints excluded: chain J residue 114 VAL Chi-restraints excluded: chain J residue 115 THR Chi-restraints excluded: chain J residue 136 LEU Chi-restraints excluded: chain K residue 14 THR Chi-restraints excluded: chain K residue 33 LYS Chi-restraints excluded: chain K residue 66 VAL Chi-restraints excluded: chain K residue 126 THR Chi-restraints excluded: chain K residue 162 THR Chi-restraints excluded: chain K residue 175 THR Chi-restraints excluded: chain K residue 188 LEU Chi-restraints excluded: chain L residue 42 VAL Chi-restraints excluded: chain L residue 53 ILE Chi-restraints excluded: chain L residue 60 MET Chi-restraints excluded: chain L residue 77 VAL Chi-restraints excluded: chain L residue 79 VAL Chi-restraints excluded: chain L residue 91 ASN Chi-restraints excluded: chain L residue 92 VAL Chi-restraints excluded: chain L residue 93 VAL Chi-restraints excluded: chain L residue 98 THR Chi-restraints excluded: chain L residue 101 ARG Chi-restraints excluded: chain L residue 118 ILE Chi-restraints excluded: chain L residue 127 VAL Chi-restraints excluded: chain L residue 128 VAL Chi-restraints excluded: chain L residue 149 ASN Chi-restraints excluded: chain L residue 151 VAL Chi-restraints excluded: chain L residue 173 SER Chi-restraints excluded: chain M residue 57 THR Chi-restraints excluded: chain M residue 62 LEU Chi-restraints excluded: chain M residue 63 ASP Chi-restraints excluded: chain M residue 65 THR Chi-restraints excluded: chain M residue 73 THR Chi-restraints excluded: chain M residue 88 ASN Chi-restraints excluded: chain M residue 105 VAL Chi-restraints excluded: chain M residue 157 SER Chi-restraints excluded: chain M residue 174 MET Chi-restraints excluded: chain M residue 180 LEU Chi-restraints excluded: chain M residue 211 LYS Chi-restraints excluded: chain M residue 228 SER Chi-restraints excluded: chain M residue 247 THR Chi-restraints excluded: chain M residue 249 ILE Chi-restraints excluded: chain N residue 54 ASN Chi-restraints excluded: chain N residue 55 GLN Chi-restraints excluded: chain N residue 61 ARG Chi-restraints excluded: chain N residue 72 THR Chi-restraints excluded: chain N residue 73 THR Chi-restraints excluded: chain N residue 105 ILE Chi-restraints excluded: chain N residue 123 HIS Chi-restraints excluded: chain N residue 134 SER Chi-restraints excluded: chain N residue 149 VAL Chi-restraints excluded: chain N residue 154 VAL Chi-restraints excluded: chain N residue 155 LEU Chi-restraints excluded: chain N residue 160 ASN Chi-restraints excluded: chain N residue 161 ASN Chi-restraints excluded: chain N residue 164 THR Chi-restraints excluded: chain N residue 186 ILE Chi-restraints excluded: chain N residue 190 ASP Chi-restraints excluded: chain N residue 212 ILE Chi-restraints excluded: chain N residue 223 VAL Chi-restraints excluded: chain O residue 54 LEU Chi-restraints excluded: chain O residue 56 LEU Chi-restraints excluded: chain O residue 67 ILE Chi-restraints excluded: chain O residue 77 ASP Chi-restraints excluded: chain O residue 87 ILE Chi-restraints excluded: chain O residue 98 ASP Chi-restraints excluded: chain O residue 100 THR Chi-restraints excluded: chain O residue 130 GLU Chi-restraints excluded: chain O residue 183 THR Chi-restraints excluded: chain O residue 197 VAL Chi-restraints excluded: chain O residue 290 ASP Chi-restraints excluded: chain O residue 317 VAL Chi-restraints excluded: chain Q residue 11 SER Chi-restraints excluded: chain Q residue 49 VAL Chi-restraints excluded: chain Q residue 84 GLU Chi-restraints excluded: chain Q residue 114 LEU Chi-restraints excluded: chain Q residue 130 ILE Chi-restraints excluded: chain Q residue 157 ARG Chi-restraints excluded: chain Q residue 161 LEU Chi-restraints excluded: chain Q residue 219 VAL Chi-restraints excluded: chain R residue 17 VAL Chi-restraints excluded: chain R residue 52 LEU Chi-restraints excluded: chain R residue 72 GLN Chi-restraints excluded: chain R residue 106 THR Chi-restraints excluded: chain R residue 121 ILE Chi-restraints excluded: chain R residue 149 VAL Chi-restraints excluded: chain R residue 150 ASP Chi-restraints excluded: chain R residue 158 LEU Chi-restraints excluded: chain R residue 163 VAL Chi-restraints excluded: chain R residue 176 GLN Chi-restraints excluded: chain R residue 181 VAL Chi-restraints excluded: chain R residue 211 SER Chi-restraints excluded: chain R residue 213 THR Chi-restraints excluded: chain R residue 235 SER Chi-restraints excluded: chain R residue 237 HIS Chi-restraints excluded: chain R residue 256 HIS Chi-restraints excluded: chain R residue 258 VAL Chi-restraints excluded: chain R residue 283 ILE Chi-restraints excluded: chain R residue 332 VAL Chi-restraints excluded: chain R residue 353 ILE Chi-restraints excluded: chain R residue 365 PHE Chi-restraints excluded: chain R residue 392 THR Chi-restraints excluded: chain R residue 393 LEU Chi-restraints excluded: chain R residue 474 GLU Chi-restraints excluded: chain R residue 475 VAL Chi-restraints excluded: chain S residue 254 VAL Chi-restraints excluded: chain S residue 267 PHE Chi-restraints excluded: chain S residue 274 ASN Chi-restraints excluded: chain S residue 324 ILE Chi-restraints excluded: chain S residue 337 ILE Chi-restraints excluded: chain S residue 347 VAL Chi-restraints excluded: chain S residue 349 ASN Chi-restraints excluded: chain S residue 377 LYS Chi-restraints excluded: chain S residue 380 LEU Chi-restraints excluded: chain T residue 34 ASN Chi-restraints excluded: chain T residue 62 LEU Chi-restraints excluded: chain T residue 65 GLU Chi-restraints excluded: chain T residue 78 CYS Chi-restraints excluded: chain V residue 18 THR Chi-restraints excluded: chain V residue 20 GLN Chi-restraints excluded: chain V residue 38 GLN Chi-restraints excluded: chain V residue 58 LEU Chi-restraints excluded: chain V residue 142 LYS Chi-restraints excluded: chain V residue 150 VAL Chi-restraints excluded: chain Z residue 80 ARG Chi-restraints excluded: chain Z residue 86 ILE Chi-restraints excluded: chain Z residue 97 VAL Chi-restraints excluded: chain Z residue 116 SER Chi-restraints excluded: chain Z residue 131 TRP Chi-restraints excluded: chain Z residue 149 ASP Chi-restraints excluded: chain BA residue 56 LEU Chi-restraints excluded: chain BA residue 68 VAL Chi-restraints excluded: chain BA residue 90 LEU Chi-restraints excluded: chain BA residue 130 LEU Chi-restraints excluded: chain BA residue 138 VAL Chi-restraints excluded: chain BA residue 147 SER Chi-restraints excluded: chain CA residue 88 GLU Chi-restraints excluded: chain CA residue 110 SER Chi-restraints excluded: chain CA residue 118 GLU Chi-restraints excluded: chain CA residue 122 THR Chi-restraints excluded: chain CA residue 154 LEU Chi-restraints excluded: chain CA residue 168 SER Chi-restraints excluded: chain CA residue 193 SER Chi-restraints excluded: chain CA residue 194 PHE Chi-restraints excluded: chain CA residue 198 THR Chi-restraints excluded: chain CA residue 207 THR Chi-restraints excluded: chain CA residue 217 HIS Chi-restraints excluded: chain CA residue 223 LEU Chi-restraints excluded: chain CA residue 227 ASP Chi-restraints excluded: chain CA residue 241 VAL Chi-restraints excluded: chain CA residue 251 LEU Chi-restraints excluded: chain CA residue 256 SER Chi-restraints excluded: chain CA residue 275 ILE Chi-restraints excluded: chain CA residue 276 ASN Chi-restraints excluded: chain CA residue 285 ILE Chi-restraints excluded: chain CA residue 291 PHE Chi-restraints excluded: chain CA residue 312 THR Chi-restraints excluded: chain CA residue 334 THR Chi-restraints excluded: chain CA residue 339 VAL Chi-restraints excluded: chain CA residue 345 VAL Chi-restraints excluded: chain CA residue 355 THR Chi-restraints excluded: chain CA residue 418 VAL Chi-restraints excluded: chain CA residue 425 ARG Chi-restraints excluded: chain CA residue 426 ILE Chi-restraints excluded: chain CA residue 437 VAL Chi-restraints excluded: chain CA residue 446 TYR Chi-restraints excluded: chain CA residue 449 ASP Chi-restraints excluded: chain CA residue 453 LEU Chi-restraints excluded: chain CA residue 470 HIS Chi-restraints excluded: chain CA residue 471 SER Chi-restraints excluded: chain CA residue 477 PHE Chi-restraints excluded: chain CA residue 478 THR Chi-restraints excluded: chain CA residue 492 SER Chi-restraints excluded: chain CA residue 503 THR Chi-restraints excluded: chain CA residue 544 THR Chi-restraints excluded: chain BB residue 19 VAL Chi-restraints excluded: chain BB residue 33 ARG Chi-restraints excluded: chain BB residue 85 ASP Chi-restraints excluded: chain BB residue 94 LEU Chi-restraints excluded: chain BB residue 102 ILE Chi-restraints excluded: chain CB residue 107 VAL Chi-restraints excluded: chain CB residue 111 SER Chi-restraints excluded: chain CB residue 114 LYS Chi-restraints excluded: chain CB residue 118 THR Chi-restraints excluded: chain CB residue 132 VAL Chi-restraints excluded: chain CB residue 165 ILE Chi-restraints excluded: chain CB residue 180 THR Chi-restraints excluded: chain BK residue 164 HIS Chi-restraints excluded: chain BK residue 203 THR Chi-restraints excluded: chain BK residue 228 ASN Chi-restraints excluded: chain BK residue 233 ILE Chi-restraints excluded: chain BK residue 238 LEU Chi-restraints excluded: chain BK residue 243 SER Chi-restraints excluded: chain BK residue 251 THR Chi-restraints excluded: chain BK residue 258 VAL Chi-restraints excluded: chain BK residue 289 LEU Chi-restraints excluded: chain BK residue 300 THR Chi-restraints excluded: chain BK residue 318 VAL Chi-restraints excluded: chain BK residue 325 VAL Chi-restraints excluded: chain BK residue 383 VAL Chi-restraints excluded: chain BK residue 393 ASP Chi-restraints excluded: chain BK residue 415 VAL Chi-restraints excluded: chain BK residue 426 VAL Chi-restraints excluded: chain BK residue 428 LEU Chi-restraints excluded: chain BK residue 438 MET Chi-restraints excluded: chain BK residue 454 LEU Chi-restraints excluded: chain BK residue 469 LEU Chi-restraints excluded: chain BK residue 471 CYS Chi-restraints excluded: chain BK residue 473 ARG Chi-restraints excluded: chain BK residue 475 ASP Chi-restraints excluded: chain BK residue 495 SER Chi-restraints excluded: chain BK residue 527 VAL Chi-restraints excluded: chain BK residue 529 HIS Chi-restraints excluded: chain BK residue 571 ASP Chi-restraints excluded: chain BK residue 589 THR Chi-restraints excluded: chain BK residue 598 THR Chi-restraints excluded: chain BK residue 601 VAL Chi-restraints excluded: chain BK residue 612 TYR Chi-restraints excluded: chain BK residue 627 LEU Chi-restraints excluded: chain BK residue 634 VAL Chi-restraints excluded: chain BK residue 637 VAL Chi-restraints excluded: chain BK residue 639 ASN Chi-restraints excluded: chain BK residue 664 SER Chi-restraints excluded: chain BK residue 667 ASP Chi-restraints excluded: chain BK residue 688 THR Chi-restraints excluded: chain BK residue 723 HIS Chi-restraints excluded: chain BK residue 727 THR Chi-restraints excluded: chain BK residue 751 VAL Chi-restraints excluded: chain BK residue 778 THR Chi-restraints excluded: chain BK residue 785 SER Chi-restraints excluded: chain BK residue 789 LEU Chi-restraints excluded: chain BK residue 828 VAL Chi-restraints excluded: chain BK residue 868 ASP Chi-restraints excluded: chain BQ residue 32 MET Chi-restraints excluded: chain BQ residue 71 LEU Chi-restraints excluded: chain BQ residue 91 VAL Chi-restraints excluded: chain BQ residue 124 ILE Chi-restraints excluded: chain BQ residue 128 VAL Chi-restraints excluded: chain BQ residue 144 VAL Chi-restraints excluded: chain BQ residue 146 VAL Chi-restraints excluded: chain BQ residue 183 HIS Chi-restraints excluded: chain BQ residue 206 ASP Chi-restraints excluded: chain BQ residue 251 THR Chi-restraints excluded: chain BQ residue 284 SER Chi-restraints excluded: chain BQ residue 305 LEU Chi-restraints excluded: chain BQ residue 311 MET Chi-restraints excluded: chain BQ residue 354 LEU Chi-restraints excluded: chain BQ residue 379 VAL Chi-restraints excluded: chain BQ residue 381 SER Chi-restraints excluded: chain BQ residue 425 VAL Chi-restraints excluded: chain BQ residue 428 ARG Chi-restraints excluded: chain BQ residue 438 THR Chi-restraints excluded: chain BQ residue 441 SER Chi-restraints excluded: chain BQ residue 442 LEU Chi-restraints excluded: chain BN residue 86 THR Chi-restraints excluded: chain BN residue 101 ILE Chi-restraints excluded: chain BN residue 117 CYS Chi-restraints excluded: chain BN residue 121 PHE Chi-restraints excluded: chain BN residue 150 VAL Chi-restraints excluded: chain BN residue 151 GLU Chi-restraints excluded: chain BN residue 163 LEU Chi-restraints excluded: chain BN residue 168 THR Chi-restraints excluded: chain BN residue 202 LEU Chi-restraints excluded: chain BN residue 212 HIS Chi-restraints excluded: chain BN residue 222 ASP Chi-restraints excluded: chain BN residue 298 ILE Chi-restraints excluded: chain BE residue 92 GLU Chi-restraints excluded: chain BE residue 102 VAL Chi-restraints excluded: chain BE residue 116 LEU Chi-restraints excluded: chain BO residue 64 VAL Chi-restraints excluded: chain BO residue 72 THR Chi-restraints excluded: chain BO residue 75 LYS Chi-restraints excluded: chain BO residue 79 LEU Chi-restraints excluded: chain BO residue 90 HIS Chi-restraints excluded: chain BO residue 93 VAL Chi-restraints excluded: chain BO residue 132 THR Chi-restraints excluded: chain BO residue 136 THR Chi-restraints excluded: chain BO residue 138 THR Chi-restraints excluded: chain BO residue 150 ASN Chi-restraints excluded: chain BO residue 154 ILE Chi-restraints excluded: chain BO residue 162 LEU Chi-restraints excluded: chain BO residue 177 LYS Chi-restraints excluded: chain BO residue 180 LEU Chi-restraints excluded: chain At residue 25 ASP Chi-restraints excluded: chain At residue 27 VAL Chi-restraints excluded: chain At residue 40 SER Chi-restraints excluded: chain At residue 53 THR Chi-restraints excluded: chain At residue 63 THR Chi-restraints excluded: chain At residue 97 THR Chi-restraints excluded: chain At residue 98 THR Chi-restraints excluded: chain At residue 131 ARG Chi-restraints excluded: chain At residue 168 SER Chi-restraints excluded: chain At residue 172 THR Chi-restraints excluded: chain Au residue 118 VAL Chi-restraints excluded: chain Au residue 141 VAL Chi-restraints excluded: chain Au residue 165 LYS Chi-restraints excluded: chain Au residue 171 SER Chi-restraints excluded: chain Ae residue 96 GLU Chi-restraints excluded: chain Ae residue 100 LEU Chi-restraints excluded: chain Ae residue 114 THR Chi-restraints excluded: chain Ae residue 127 VAL Chi-restraints excluded: chain Ae residue 135 LEU Chi-restraints excluded: chain Ae residue 155 THR Chi-restraints excluded: chain Ae residue 179 GLU Chi-restraints excluded: chain Ae residue 182 THR Chi-restraints excluded: chain Ae residue 184 THR Chi-restraints excluded: chain Ae residue 254 ASP Chi-restraints excluded: chain Ae residue 255 LEU Chi-restraints excluded: chain Ae residue 276 VAL Chi-restraints excluded: chain Ae residue 278 ASN Chi-restraints excluded: chain Af residue 61 VAL Chi-restraints excluded: chain Af residue 79 SER Chi-restraints excluded: chain Af residue 116 VAL Chi-restraints excluded: chain Af residue 143 ASP Chi-restraints excluded: chain Af residue 144 THR Chi-restraints excluded: chain Ah residue 47 ILE Chi-restraints excluded: chain Ah residue 57 VAL Chi-restraints excluded: chain Ah residue 139 THR Chi-restraints excluded: chain Ah residue 146 MET Chi-restraints excluded: chain Ah residue 195 LEU Chi-restraints excluded: chain Ah residue 196 VAL Chi-restraints excluded: chain Ah residue 219 LEU Chi-restraints excluded: chain Ah residue 242 LEU Chi-restraints excluded: chain Ah residue 251 VAL Chi-restraints excluded: chain Ah residue 256 VAL Chi-restraints excluded: chain Ah residue 264 LEU Chi-restraints excluded: chain Ah residue 271 GLN Chi-restraints excluded: chain Ah residue 280 ILE Chi-restraints excluded: chain Ah residue 330 VAL Chi-restraints excluded: chain Ah residue 332 LEU Chi-restraints excluded: chain Ah residue 337 VAL Chi-restraints excluded: chain Ah residue 404 HIS Chi-restraints excluded: chain Ah residue 454 ASP Chi-restraints excluded: chain Ah residue 458 VAL Chi-restraints excluded: chain Ah residue 467 LEU Chi-restraints excluded: chain Ap residue 13 VAL Chi-restraints excluded: chain Ap residue 15 THR Chi-restraints excluded: chain Ap residue 51 VAL Chi-restraints excluded: chain Ap residue 66 VAL Chi-restraints excluded: chain Ap residue 70 ASN Chi-restraints excluded: chain Ap residue 96 LEU Chi-restraints excluded: chain Ap residue 122 CYS Chi-restraints excluded: chain Ap residue 136 VAL Chi-restraints excluded: chain Ap residue 155 THR Chi-restraints excluded: chain Ap residue 157 THR Chi-restraints excluded: chain Ap residue 175 HIS Chi-restraints excluded: chain Ap residue 178 LEU Chi-restraints excluded: chain Ap residue 186 THR Chi-restraints excluded: chain Ap residue 200 TYR Chi-restraints excluded: chain Ap residue 211 ASN Chi-restraints excluded: chain Al residue 85 GLU Chi-restraints excluded: chain Al residue 87 GLU Chi-restraints excluded: chain Al residue 106 VAL Chi-restraints excluded: chain Al residue 114 LEU Chi-restraints excluded: chain Al residue 129 VAL Chi-restraints excluded: chain Al residue 150 VAL Chi-restraints excluded: chain Al residue 159 THR Chi-restraints excluded: chain Al residue 187 ASP Chi-restraints excluded: chain Al residue 202 THR Chi-restraints excluded: chain Al residue 232 MET Chi-restraints excluded: chain Al residue 236 SER Chi-restraints excluded: chain Al residue 237 GLU Chi-restraints excluded: chain Al residue 245 VAL Chi-restraints excluded: chain Al residue 257 GLU Chi-restraints excluded: chain Al residue 264 VAL Chi-restraints excluded: chain Al residue 278 ARG Chi-restraints excluded: chain Al residue 298 ASN Chi-restraints excluded: chain Ab residue 8 CYS Chi-restraints excluded: chain Ab residue 20 LYS Chi-restraints excluded: chain Ab residue 47 ILE Chi-restraints excluded: chain Ab residue 57 ILE Chi-restraints excluded: chain Ab residue 83 PHE Chi-restraints excluded: chain Ab residue 87 VAL Chi-restraints excluded: chain Ab residue 109 VAL Chi-restraints excluded: chain Aa residue 48 VAL Chi-restraints excluded: chain Aa residue 85 SER Chi-restraints excluded: chain Aa residue 88 THR Chi-restraints excluded: chain Aa residue 102 ASP Chi-restraints excluded: chain Aa residue 140 ASN Chi-restraints excluded: chain Aa residue 155 THR Chi-restraints excluded: chain Aa residue 169 ILE Chi-restraints excluded: chain BP residue -37 THR Chi-restraints excluded: chain BP residue -33 SER Chi-restraints excluded: chain BP residue -3 HIS Chi-restraints excluded: chain BP residue -2 ILE Chi-restraints excluded: chain BP residue 3 HIS Chi-restraints excluded: chain BP residue 4 HIS Chi-restraints excluded: chain BP residue 16 SER Chi-restraints excluded: chain BP residue 32 ILE Chi-restraints excluded: chain BP residue 72 THR Chi-restraints excluded: chain Az residue 27 LYS Chi-restraints excluded: chain Az residue 36 HIS Chi-restraints excluded: chain Az residue 37 LYS Chi-restraints excluded: chain Az residue 74 ASN Chi-restraints excluded: chain Az residue 85 ASN Chi-restraints excluded: chain Az residue 94 ASP Chi-restraints excluded: chain Az residue 113 VAL Chi-restraints excluded: chain Az residue 139 SER Chi-restraints excluded: chain Am residue 80 ASP Chi-restraints excluded: chain Am residue 101 TYR Chi-restraints excluded: chain Am residue 140 TYR Chi-restraints excluded: chain Am residue 183 VAL Chi-restraints excluded: chain Am residue 218 MET Chi-restraints excluded: chain Am residue 230 ASP Chi-restraints excluded: chain Am residue 265 SER Chi-restraints excluded: chain Am residue 270 ILE Chi-restraints excluded: chain Am residue 274 ASP Chi-restraints excluded: chain Am residue 279 GLN Chi-restraints excluded: chain Am residue 289 GLU Chi-restraints excluded: chain Am residue 325 PHE Chi-restraints excluded: chain As residue 71 THR Chi-restraints excluded: chain As residue 86 THR Chi-restraints excluded: chain As residue 107 ASP Chi-restraints excluded: chain As residue 124 VAL Chi-restraints excluded: chain As residue 153 LEU Chi-restraints excluded: chain As residue 182 THR Chi-restraints excluded: chain As residue 186 LEU Chi-restraints excluded: chain BG residue 1267 ASP Chi-restraints excluded: chain BG residue 1273 SER Chi-restraints excluded: chain BG residue 1282 THR Chi-restraints excluded: chain BG residue 1295 THR Chi-restraints excluded: chain BG residue 1314 ASP Chi-restraints excluded: chain Ad residue 24 TYR Chi-restraints excluded: chain Ad residue 44 GLN Chi-restraints excluded: chain Ad residue 52 THR Chi-restraints excluded: chain Ad residue 138 VAL Chi-restraints excluded: chain Ad residue 153 ILE Chi-restraints excluded: chain Ad residue 161 SER Chi-restraints excluded: chain Ad residue 210 VAL Chi-restraints excluded: chain Aw residue 6 VAL Chi-restraints excluded: chain Aw residue 53 VAL Chi-restraints excluded: chain Aw residue 55 ASP Chi-restraints excluded: chain Aw residue 63 LEU Chi-restraints excluded: chain Aw residue 159 VAL Chi-restraints excluded: chain BH residue 28 VAL Chi-restraints excluded: chain BH residue 51 VAL Chi-restraints excluded: chain BH residue 73 LEU Chi-restraints excluded: chain BH residue 137 GLN Chi-restraints excluded: chain BH residue 157 VAL Chi-restraints excluded: chain Aj residue 259 THR Chi-restraints excluded: chain Aj residue 275 MET Chi-restraints excluded: chain Aj residue 309 VAL Chi-restraints excluded: chain Aj residue 330 LEU Chi-restraints excluded: chain Aj residue 341 ASN Chi-restraints excluded: chain Aj residue 359 VAL Chi-restraints excluded: chain Aj residue 373 PHE Chi-restraints excluded: chain Aj residue 383 VAL Chi-restraints excluded: chain Aj residue 386 VAL Chi-restraints excluded: chain Aj residue 421 VAL Chi-restraints excluded: chain Aj residue 463 VAL Chi-restraints excluded: chain Aj residue 467 VAL Chi-restraints excluded: chain Aj residue 481 SER Chi-restraints excluded: chain Ar residue 20 ILE Chi-restraints excluded: chain Ar residue 23 ILE Chi-restraints excluded: chain Ar residue 38 GLU Chi-restraints excluded: chain Ar residue 40 ARG Chi-restraints excluded: chain Ar residue 42 ILE Chi-restraints excluded: chain Ar residue 73 ASP Chi-restraints excluded: chain Ar residue 77 TYR Chi-restraints excluded: chain Ar residue 106 THR Chi-restraints excluded: chain Ar residue 118 GLN Chi-restraints excluded: chain Ar residue 165 ASN Chi-restraints excluded: chain Ar residue 169 LEU Chi-restraints excluded: chain Ar residue 186 ASN Chi-restraints excluded: chain An residue 98 ARG Chi-restraints excluded: chain An residue 134 PHE Chi-restraints excluded: chain An residue 167 VAL Chi-restraints excluded: chain An residue 189 VAL Chi-restraints excluded: chain An residue 193 THR Chi-restraints excluded: chain An residue 196 LEU Chi-restraints excluded: chain An residue 201 VAL Chi-restraints excluded: chain An residue 222 GLU Chi-restraints excluded: chain An residue 240 LEU Chi-restraints excluded: chain An residue 265 ASP Chi-restraints excluded: chain An residue 274 GLU Chi-restraints excluded: chain BF residue 67 GLU Chi-restraints excluded: chain Av residue 46 LEU Chi-restraints excluded: chain Av residue 90 ILE Chi-restraints excluded: chain Av residue 96 ASP Chi-restraints excluded: chain Av residue 111 ASN Chi-restraints excluded: chain BM residue 3 VAL Chi-restraints excluded: chain BM residue 8 CYS Chi-restraints excluded: chain BM residue 20 LEU Chi-restraints excluded: chain BM residue 28 VAL Chi-restraints excluded: chain BM residue 65 ASP Chi-restraints excluded: chain BM residue 72 TYR Chi-restraints excluded: chain BM residue 94 MET Chi-restraints excluded: chain BM residue 109 THR Chi-restraints excluded: chain BM residue 122 LEU Chi-restraints excluded: chain BM residue 138 VAL Chi-restraints excluded: chain BM residue 192 LEU Chi-restraints excluded: chain BM residue 233 VAL Chi-restraints excluded: chain BM residue 245 TYR Chi-restraints excluded: chain BM residue 252 VAL Chi-restraints excluded: chain BM residue 266 TRP Chi-restraints excluded: chain BM residue 305 ASP Chi-restraints excluded: chain BM residue 308 THR Chi-restraints excluded: chain BM residue 311 CYS Chi-restraints excluded: chain BM residue 312 VAL Chi-restraints excluded: chain BM residue 326 TYR Chi-restraints excluded: chain BM residue 327 LEU Chi-restraints excluded: chain BM residue 329 THR Chi-restraints excluded: chain BM residue 333 ILE Chi-restraints excluded: chain BM residue 343 VAL Chi-restraints excluded: chain BM residue 349 LEU Chi-restraints excluded: chain Ag residue 56 SER Chi-restraints excluded: chain Ag residue 98 ASP Chi-restraints excluded: chain Ag residue 99 VAL Chi-restraints excluded: chain Bl residue 104 ARG Chi-restraints excluded: chain Bl residue 131 ILE Chi-restraints excluded: chain Bl residue 154 VAL Chi-restraints excluded: chain Bl residue 166 VAL Chi-restraints excluded: chain Bl residue 176 ILE Chi-restraints excluded: chain Bl residue 186 GLU Chi-restraints excluded: chain Bl residue 193 ASP Chi-restraints excluded: chain Bl residue 207 LEU Chi-restraints excluded: chain Bl residue 258 VAL Chi-restraints excluded: chain Ax residue 55 VAL Chi-restraints excluded: chain Ax residue 57 THR Chi-restraints excluded: chain Ax residue 59 HIS Chi-restraints excluded: chain Ax residue 77 HIS Chi-restraints excluded: chain Ax residue 94 ASP Chi-restraints excluded: chain Ax residue 112 ILE Chi-restraints excluded: chain Ax residue 154 HIS Chi-restraints excluded: chain Ax residue 169 CYS Chi-restraints excluded: chain Ax residue 177 VAL Chi-restraints excluded: chain Ax residue 183 HIS Chi-restraints excluded: chain BS residue 299 VAL Chi-restraints excluded: chain BS residue 320 VAL Chi-restraints excluded: chain BS residue 380 TYR Chi-restraints excluded: chain BY residue 130 GLU Chi-restraints excluded: chain BY residue 139 LEU Chi-restraints excluded: chain BY residue 140 HIS Chi-restraints excluded: chain BY residue 145 THR Chi-restraints excluded: chain BY residue 191 LEU Chi-restraints excluded: chain BY residue 225 ASP Chi-restraints excluded: chain BY residue 248 THR Chi-restraints excluded: chain BY residue 257 VAL Chi-restraints excluded: chain BY residue 306 VAL Chi-restraints excluded: chain BY residue 333 LEU Chi-restraints excluded: chain BY residue 349 SER Chi-restraints excluded: chain BX residue 78 VAL Chi-restraints excluded: chain BX residue 80 ASP Chi-restraints excluded: chain BX residue 113 MET Chi-restraints excluded: chain BX residue 114 ILE Chi-restraints excluded: chain BX residue 145 THR Chi-restraints excluded: chain BX residue 147 VAL Chi-restraints excluded: chain BX residue 150 VAL Chi-restraints excluded: chain BX residue 165 TYR Chi-restraints excluded: chain BX residue 188 ASN Chi-restraints excluded: chain BX residue 193 LEU Chi-restraints excluded: chain BX residue 215 ASP Chi-restraints excluded: chain BX residue 242 THR Chi-restraints excluded: chain BX residue 248 THR Chi-restraints excluded: chain BX residue 260 LEU Chi-restraints excluded: chain BX residue 264 ILE Chi-restraints excluded: chain BX residue 270 LEU Chi-restraints excluded: chain BX residue 274 CYS Chi-restraints excluded: chain BX residue 295 PHE Chi-restraints excluded: chain BX residue 341 SER Chi-restraints excluded: chain BZ residue 61 THR Chi-restraints excluded: chain BZ residue 65 PHE Chi-restraints excluded: chain BZ residue 80 TRP Chi-restraints excluded: chain BZ residue 93 HIS Chi-restraints excluded: chain BZ residue 97 TYR Chi-restraints excluded: chain BZ residue 98 ARG Chi-restraints excluded: chain BZ residue 107 ARG Chi-restraints excluded: chain BZ residue 109 THR Chi-restraints excluded: chain BZ residue 115 ASP Chi-restraints excluded: chain BZ residue 118 VAL Chi-restraints excluded: chain BZ residue 120 VAL Chi-restraints excluded: chain BZ residue 125 PHE Chi-restraints excluded: chain BZ residue 189 HIS Chi-restraints excluded: chain BZ residue 213 ILE Chi-restraints excluded: chain BZ residue 227 LEU Chi-restraints excluded: chain BZ residue 286 THR Chi-restraints excluded: chain BZ residue 317 THR Chi-restraints excluded: chain BZ residue 345 SER Chi-restraints excluded: chain BZ residue 347 PHE Chi-restraints excluded: chain BZ residue 351 LEU Chi-restraints excluded: chain CC residue 70 ASP Chi-restraints excluded: chain CC residue 100 VAL Chi-restraints excluded: chain CC residue 138 ASP Chi-restraints excluded: chain CD residue 37 ASN Chi-restraints excluded: chain CD residue 60 THR Chi-restraints excluded: chain CD residue 78 THR Chi-restraints excluded: chain CD residue 80 VAL Chi-restraints excluded: chain BT residue 71 ASP Chi-restraints excluded: chain BT residue 76 LEU Chi-restraints excluded: chain BT residue 138 CYS Chi-restraints excluded: chain BT residue 143 VAL Chi-restraints excluded: chain BT residue 178 THR Chi-restraints excluded: chain BT residue 205 VAL Chi-restraints excluded: chain BT residue 220 LEU Chi-restraints excluded: chain BT residue 229 TYR Chi-restraints excluded: chain BT residue 235 THR Chi-restraints excluded: chain BT residue 256 THR Chi-restraints excluded: chain BT residue 275 VAL Chi-restraints excluded: chain BT residue 289 LEU Chi-restraints excluded: chain BT residue 305 GLU Chi-restraints excluded: chain BT residue 313 THR Chi-restraints excluded: chain BT residue 339 ILE Chi-restraints excluded: chain BT residue 343 VAL Chi-restraints excluded: chain BU residue 34 VAL Chi-restraints excluded: chain BU residue 36 ARG Chi-restraints excluded: chain BU residue 37 MET Chi-restraints excluded: chain BU residue 42 SER Chi-restraints excluded: chain BU residue 60 ILE Chi-restraints excluded: chain BU residue 78 LEU Chi-restraints excluded: chain BU residue 103 THR Chi-restraints excluded: chain BU residue 111 ILE Chi-restraints excluded: chain BU residue 179 LEU Chi-restraints excluded: chain BU residue 212 ASP Chi-restraints excluded: chain BU residue 225 THR Chi-restraints excluded: chain BU residue 231 VAL Chi-restraints excluded: chain BU residue 242 THR Chi-restraints excluded: chain BU residue 263 THR Chi-restraints excluded: chain BU residue 271 CYS Chi-restraints excluded: chain BU residue 273 TYR Chi-restraints excluded: chain BU residue 274 LYS Chi-restraints excluded: chain BU residue 277 LYS Chi-restraints excluded: chain BU residue 282 ASP Chi-restraints excluded: chain BU residue 283 THR Chi-restraints excluded: chain BU residue 309 ILE Chi-restraints excluded: chain BU residue 315 VAL Chi-restraints excluded: chain BU residue 345 VAL Chi-restraints excluded: chain BU residue 354 VAL Chi-restraints excluded: chain BU residue 355 LEU Chi-restraints excluded: chain BU residue 358 SER Chi-restraints excluded: chain BU residue 360 THR Chi-restraints excluded: chain BU residue 386 HIS Chi-restraints excluded: chain BU residue 417 PHE Chi-restraints excluded: chain BU residue 427 ILE Chi-restraints excluded: chain BU residue 447 PHE Chi-restraints excluded: chain BU residue 448 LEU Chi-restraints excluded: chain BU residue 481 VAL Chi-restraints excluded: chain BW residue 111 VAL Chi-restraints excluded: chain BW residue 113 ASP Chi-restraints excluded: chain BW residue 142 THR Chi-restraints excluded: chain BW residue 194 ILE Chi-restraints excluded: chain BW residue 206 LEU Chi-restraints excluded: chain BW residue 210 CYS Chi-restraints excluded: chain BW residue 241 THR Chi-restraints excluded: chain BW residue 245 VAL Chi-restraints excluded: chain BW residue 249 ASP Chi-restraints excluded: chain BW residue 265 GLU Chi-restraints excluded: chain BW residue 303 LEU Chi-restraints excluded: chain BW residue 374 HIS Chi-restraints excluded: chain BW residue 519 THR Chi-restraints excluded: chain BW residue 537 HIS Chi-restraints excluded: chain BW residue 558 ASN Chi-restraints excluded: chain BW residue 565 VAL Chi-restraints excluded: chain BW residue 574 VAL Chi-restraints excluded: chain BW residue 578 ILE Chi-restraints excluded: chain BW residue 591 SER Chi-restraints excluded: chain BW residue 598 ARG Chi-restraints excluded: chain BW residue 605 VAL Chi-restraints excluded: chain BW residue 613 GLN Chi-restraints excluded: chain BW residue 650 THR Chi-restraints excluded: chain BW residue 654 ASN Chi-restraints excluded: chain BW residue 660 TYR Chi-restraints excluded: chain BV residue 105 LYS Chi-restraints excluded: chain BV residue 140 ASN Chi-restraints excluded: chain BV residue 174 ILE Chi-restraints excluded: chain BV residue 227 THR Chi-restraints excluded: chain BV residue 296 LEU Chi-restraints excluded: chain BV residue 323 THR Chi-restraints excluded: chain BR residue 47 PHE Chi-restraints excluded: chain BR residue 58 LEU Chi-restraints excluded: chain BR residue 59 THR Chi-restraints excluded: chain BR residue 69 THR Chi-restraints excluded: chain BR residue 131 THR Chi-restraints excluded: chain BR residue 270 GLU Chi-restraints excluded: chain BR residue 276 SER Rotamers are restrained with sigma=4.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1589 random chunks: chunk 801 optimal weight: 20.0000 chunk 447 optimal weight: 1.9990 chunk 1200 optimal weight: 0.9990 chunk 982 optimal weight: 6.9990 chunk 398 optimal weight: 8.9990 chunk 1445 optimal weight: 30.0000 chunk 1561 optimal weight: 9.9990 chunk 1287 optimal weight: 0.5980 chunk 1433 optimal weight: 20.0000 chunk 492 optimal weight: 50.0000 chunk 1159 optimal weight: 8.9990 overall best weight: 3.9188 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 249 GLN B 33 HIS B 124 ASN ** B 169 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B 200 ASN ** B 226 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 142 ASN ** C 151 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 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 71 ASN ** G 199 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** G 202 ASN ** 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** L 111 HIS L 149 ASN M 76 ASN ** N 55 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 161 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 S 256 ASN S 384 HIS ** V 38 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 91 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** CA 210 GLN ** CA 221 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** CA 276 ASN CA 329 ASN ** CA 470 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** CB 58 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** CB 117 GLN CB 184 GLN BK 189 GLN ** BK 630 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BK 840 HIS BQ 22 HIS BQ 137 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 158 ASN ** 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 219 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ab 110 GLN ** 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 39 ASN ** Az 60 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Am 148 ASN As 54 ASN As 94 ASN BG1339 ASN Aw 77 ASN ** Aw 152 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BH 137 GLN ** 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** ** Ar 105 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** An 220 GLN ** An 267 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** BF 103 HIS ** 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 ** Ag 130 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 183 HIS BS 405 ASN ** BY 140 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** BX 140 HIS BX 188 ASN ** 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 ** 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** ** BU 59 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BU 246 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BU 327 ASN BW 125 GLN ** BW 537 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BW 558 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BV 324 GLN Total number of N/Q/H flips: 55 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7472 moved from start: 0.1987 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.007 1.470 144601 Z= 0.416 Angle : 0.771 28.054 200058 Z= 0.393 Chirality : 0.047 1.521 22406 Planarity : 0.006 0.160 23035 Dihedral : 20.756 179.912 30307 Min Nonbonded Distance : 1.365 Molprobity Statistics. All-atom Clashscore : 20.26 Ramachandran Plot: Outliers : 0.22 % Allowed : 12.51 % Favored : 87.27 % Rotamer: Outliers : 8.26 % Allowed : 24.04 % Favored : 67.70 % 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: -4.12 (0.06), residues: 15214 helix: -2.64 (0.06), residues: 5416 sheet: -2.91 (0.14), residues: 1094 loop : -2.86 (0.06), residues: 8704 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.032 0.002 TRPAx 146 HIS 0.019 0.001 HISCD 53 PHE 0.045 0.002 PHEBU 64 TYR 0.035 0.002 TYR G 308 ARG 0.047 0.000 ARGAw 81 *********************** 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 3047 residues out of total 12517 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 1034 poor density : 2013 time to evaluate : 11.140 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 165 LYS cc_start: 0.8357 (OUTLIER) cc_final: 0.8070 (pttt) REVERT: B 191 MET cc_start: 0.8362 (tpp) cc_final: 0.7866 (tpt) REVERT: C 159 GLU cc_start: 0.7454 (OUTLIER) cc_final: 0.6995 (mm-30) REVERT: E 187 MET cc_start: 0.7288 (mmm) cc_final: 0.6525 (mmm) REVERT: F 4 GLN cc_start: 0.8607 (OUTLIER) cc_final: 0.8380 (tt0) REVERT: F 87 LEU cc_start: 0.8958 (mt) cc_final: 0.8726 (mt) REVERT: G 228 TYR cc_start: 0.7374 (OUTLIER) cc_final: 0.6642 (p90) REVERT: J 5 GLU cc_start: 0.7340 (OUTLIER) cc_final: 0.6988 (tm-30) REVERT: J 6 ARG cc_start: 0.8301 (OUTLIER) cc_final: 0.7370 (ttt180) REVERT: K 88 ASN cc_start: 0.8235 (t0) cc_final: 0.7444 (t0) REVERT: K 103 GLU cc_start: 0.7812 (mp0) cc_final: 0.7568 (mp0) REVERT: L 44 ARG cc_start: 0.7985 (OUTLIER) cc_final: 0.7337 (ttm170) REVERT: L 75 GLU cc_start: 0.7241 (tp30) cc_final: 0.7030 (tp30) REVERT: L 101 ARG cc_start: 0.7165 (ptp-110) cc_final: 0.6915 (ptp90) REVERT: M 210 ASP cc_start: 0.7611 (m-30) cc_final: 0.7410 (m-30) REVERT: N 61 ARG cc_start: 0.6256 (OUTLIER) cc_final: 0.4120 (pmt-80) REVERT: N 66 ARG cc_start: 0.7412 (ttt-90) cc_final: 0.7168 (ttt-90) REVERT: N 75 GLU cc_start: 0.7421 (tp30) cc_final: 0.7220 (tp30) REVERT: O 26 MET cc_start: 0.6713 (tpp) cc_final: 0.6198 (tpp) REVERT: O 77 ASP cc_start: 0.7220 (OUTLIER) cc_final: 0.6966 (m-30) REVERT: O 92 GLU cc_start: 0.6839 (tt0) cc_final: 0.6492 (tt0) REVERT: O 238 LEU cc_start: 0.5468 (OUTLIER) cc_final: 0.4859 (pp) REVERT: Q 21 ARG cc_start: 0.6029 (OUTLIER) cc_final: 0.5465 (mtt-85) REVERT: R 72 GLN cc_start: 0.8842 (OUTLIER) cc_final: 0.7562 (tt0) REVERT: R 175 MET cc_start: 0.6921 (mtp) cc_final: 0.6424 (ttt) REVERT: S 256 ASN cc_start: 0.8258 (m-40) cc_final: 0.7987 (m110) REVERT: S 272 GLU cc_start: 0.7608 (mp0) cc_final: 0.7175 (mp0) REVERT: S 285 MET cc_start: 0.9052 (ttp) cc_final: 0.8693 (ptm) REVERT: S 377 LYS cc_start: 0.8267 (OUTLIER) cc_final: 0.7984 (mmtm) REVERT: T 55 GLU cc_start: 0.6958 (pt0) cc_final: 0.6662 (pt0) REVERT: T 62 LEU cc_start: 0.8231 (OUTLIER) cc_final: 0.7832 (mt) REVERT: V 38 GLN cc_start: 0.4582 (OUTLIER) cc_final: 0.4205 (tt0) REVERT: V 47 MET cc_start: 0.8783 (mtp) cc_final: 0.8513 (mtp) REVERT: V 142 LYS cc_start: 0.7213 (OUTLIER) cc_final: 0.6622 (mptt) REVERT: Z 49 TRP cc_start: 0.7923 (p90) cc_final: 0.7673 (p90) REVERT: CA 276 ASN cc_start: 0.8664 (OUTLIER) cc_final: 0.8155 (t0) REVERT: CA 285 ILE cc_start: 0.7715 (OUTLIER) cc_final: 0.7468 (mp) REVERT: CA 380 MET cc_start: 0.8943 (tpp) cc_final: 0.7711 (mmm) REVERT: BB 33 ARG cc_start: 0.7926 (OUTLIER) cc_final: 0.7240 (ttp-110) REVERT: BB 37 ARG cc_start: 0.7185 (OUTLIER) cc_final: 0.6733 (mtt-85) REVERT: CB 83 MET cc_start: 0.7500 (OUTLIER) cc_final: 0.7131 (ptp) REVERT: CB 99 TRP cc_start: 0.7450 (t60) cc_final: 0.6932 (t60) REVERT: CB 115 ARG cc_start: 0.4748 (OUTLIER) cc_final: 0.3858 (ppt170) REVERT: BK 238 LEU cc_start: 0.8491 (OUTLIER) cc_final: 0.8208 (mt) REVERT: BK 371 PHE cc_start: 0.5323 (t80) cc_final: 0.5037 (m-80) REVERT: BK 438 MET cc_start: 0.8717 (OUTLIER) cc_final: 0.7754 (mmm) REVERT: BK 439 ASP cc_start: 0.7469 (OUTLIER) cc_final: 0.7152 (p0) REVERT: BQ 71 LEU cc_start: 0.8287 (OUTLIER) cc_final: 0.8016 (mt) REVERT: BQ 206 ASP cc_start: 0.4941 (OUTLIER) cc_final: 0.4688 (m-30) REVERT: BQ 354 LEU cc_start: 0.5555 (OUTLIER) cc_final: 0.5282 (tp) REVERT: BQ 428 ARG cc_start: 0.8563 (OUTLIER) cc_final: 0.7890 (mtp180) REVERT: BN 121 PHE cc_start: 0.8077 (OUTLIER) cc_final: 0.6799 (m-80) REVERT: BN 132 LYS cc_start: 0.6939 (pttp) cc_final: 0.6650 (pttm) REVERT: BO 165 ARG cc_start: 0.7483 (ttt-90) cc_final: 0.7277 (ttt90) REVERT: BO 177 LYS cc_start: 0.8648 (OUTLIER) cc_final: 0.7619 (mppt) REVERT: Ae 76 MET cc_start: 0.7346 (mtt) cc_final: 0.6966 (mtt) REVERT: Af 68 SER cc_start: 0.8353 (p) cc_final: 0.7839 (m) REVERT: Ah 122 TRP cc_start: 0.7804 (m100) cc_final: 0.7411 (m100) REVERT: Ah 172 LYS cc_start: 0.4407 (tttt) cc_final: 0.4189 (tttt) REVERT: Ah 238 ARG cc_start: 0.3566 (OUTLIER) cc_final: 0.3339 (tmm160) REVERT: Ah 315 LYS cc_start: 0.7366 (mttt) cc_final: 0.7103 (mttm) REVERT: Ah 366 MET cc_start: 0.5975 (ptm) cc_final: 0.5424 (ptm) REVERT: Ah 409 THR cc_start: 0.7851 (OUTLIER) cc_final: 0.7615 (p) REVERT: Ap 222 ARG cc_start: 0.4277 (ttt-90) cc_final: 0.3860 (mmt180) REVERT: Al 87 GLU cc_start: 0.8639 (OUTLIER) cc_final: 0.8129 (pm20) REVERT: Al 232 MET cc_start: 0.7309 (OUTLIER) cc_final: 0.6552 (ttt) REVERT: Al 267 ASP cc_start: 0.8014 (p0) cc_final: 0.7797 (p0) REVERT: Al 301 ARG cc_start: 0.7846 (ptp90) cc_final: 0.7344 (ptm160) REVERT: Ab 141 GLU cc_start: 0.6829 (mt-10) cc_final: 0.6627 (mt-10) REVERT: Aa 91 LEU cc_start: 0.9092 (OUTLIER) cc_final: 0.8738 (pp) REVERT: BP -4 THR cc_start: 0.8423 (OUTLIER) cc_final: 0.8156 (t) REVERT: BP 4 HIS cc_start: 0.8329 (OUTLIER) cc_final: 0.7843 (m-70) REVERT: BP 69 ILE cc_start: 0.9272 (mp) cc_final: 0.9057 (mt) REVERT: Az 85 ASN cc_start: 0.7345 (OUTLIER) cc_final: 0.6899 (p0) REVERT: Am 50 ARG cc_start: 0.8183 (OUTLIER) cc_final: 0.7476 (ptm-80) REVERT: Am 247 GLU cc_start: 0.5706 (OUTLIER) cc_final: 0.5382 (pp20) REVERT: Am 279 GLN cc_start: 0.7813 (OUTLIER) cc_final: 0.7407 (mp-120) REVERT: BG 1311 LYS cc_start: 0.6679 (mptt) cc_final: 0.6046 (ttmt) REVERT: Ad 77 LEU cc_start: 0.8818 (OUTLIER) cc_final: 0.8585 (mp) REVERT: Aw 31 TYR cc_start: 0.8319 (t80) cc_final: 0.8066 (t80) REVERT: BH 71 GLN cc_start: 0.8281 (mt0) cc_final: 0.8031 (mt0) REVERT: BH 132 HIS cc_start: 0.7741 (OUTLIER) cc_final: 0.7302 (p-80) REVERT: Aj 453 ILE cc_start: 0.7364 (OUTLIER) cc_final: 0.7068 (mt) REVERT: Ar 25 THR cc_start: 0.5760 (t) cc_final: 0.5456 (t) REVERT: Ar 38 GLU cc_start: 0.4731 (OUTLIER) cc_final: 0.2768 (mt-10) REVERT: Ar 148 ILE cc_start: 0.8804 (mt) cc_final: 0.8594 (mt) REVERT: Ar 169 LEU cc_start: 0.8715 (OUTLIER) cc_final: 0.8411 (tp) REVERT: An 134 PHE cc_start: 0.2622 (OUTLIER) cc_final: 0.2122 (t80) REVERT: BF 67 GLU cc_start: 0.8117 (OUTLIER) cc_final: 0.6911 (pt0) REVERT: BM 43 TYR cc_start: 0.4383 (t80) cc_final: 0.3499 (m-80) REVERT: BM 72 TYR cc_start: 0.6632 (OUTLIER) cc_final: 0.5152 (m-80) REVERT: BM 134 LYS cc_start: 0.7169 (OUTLIER) cc_final: 0.6814 (tmtt) REVERT: BM 216 GLN cc_start: 0.6094 (OUTLIER) cc_final: 0.5857 (pm20) REVERT: BM 261 PHE cc_start: 0.6869 (t80) cc_final: 0.6509 (t80) REVERT: BM 286 TYR cc_start: 0.5976 (OUTLIER) cc_final: 0.4827 (t80) REVERT: BM 290 HIS cc_start: 0.6096 (m-70) cc_final: 0.5563 (m-70) REVERT: BM 326 TYR cc_start: 0.5184 (OUTLIER) cc_final: 0.4806 (t80) REVERT: Ag 75 ARG cc_start: 0.6993 (tpp-160) cc_final: 0.5905 (ttm-80) REVERT: Bl 164 ASP cc_start: 0.6031 (p0) cc_final: 0.5704 (p0) REVERT: Ax 154 HIS cc_start: 0.6698 (OUTLIER) cc_final: 0.6334 (t70) REVERT: Ax 173 ARG cc_start: 0.1868 (mtt180) cc_final: 0.1520 (mmm-85) REVERT: Ax 175 ILE cc_start: 0.6589 (tp) cc_final: 0.6277 (pt) REVERT: Ax 180 ARG cc_start: 0.5717 (mmt-90) cc_final: 0.4817 (ttt90) REVERT: Ax 205 ARG cc_start: 0.3327 (mmm160) cc_final: 0.3086 (ttt180) REVERT: Ax 208 MET cc_start: 0.7308 (ppp) cc_final: 0.6947 (ppp) REVERT: BS 388 ARG cc_start: 0.6769 (tpt170) cc_final: 0.6312 (tpt170) REVERT: BS 408 GLN cc_start: 0.7494 (mt0) cc_final: 0.6668 (pm20) REVERT: BY 130 GLU cc_start: 0.4089 (OUTLIER) cc_final: 0.3748 (tm-30) REVERT: BY 140 HIS cc_start: 0.4464 (OUTLIER) cc_final: 0.3996 (m-70) REVERT: BY 191 LEU cc_start: 0.6964 (OUTLIER) cc_final: 0.6099 (tt) REVERT: BX 144 LYS cc_start: 0.7392 (ttmm) cc_final: 0.7159 (tttp) REVERT: BX 177 LYS cc_start: 0.7858 (tppt) cc_final: 0.6948 (tmtt) REVERT: BX 213 GLN cc_start: 0.7376 (mm110) cc_final: 0.7140 (mp10) REVERT: BZ 65 PHE cc_start: 0.7256 (OUTLIER) cc_final: 0.6588 (t80) REVERT: BZ 86 LYS cc_start: 0.8235 (ttpt) cc_final: 0.8010 (tttp) REVERT: BZ 98 ARG cc_start: 0.8136 (OUTLIER) cc_final: 0.7335 (ttm170) REVERT: BZ 194 MET cc_start: 0.6940 (ttp) cc_final: 0.5515 (tpp) REVERT: BZ 354 PHE cc_start: 0.3905 (p90) cc_final: 0.3677 (p90) REVERT: CC 71 LYS cc_start: 0.7386 (tmtt) cc_final: 0.6191 (mmpt) REVERT: CC 87 LYS cc_start: 0.5061 (mttt) cc_final: 0.4593 (tptt) REVERT: CC 92 LYS cc_start: 0.5786 (ttpt) cc_final: 0.5234 (mptt) REVERT: CD 37 ASN cc_start: 0.7495 (OUTLIER) cc_final: 0.6634 (m-40) REVERT: CD 113 LYS cc_start: 0.8656 (tppp) cc_final: 0.8015 (tppp) REVERT: BT 139 TRP cc_start: 0.7304 (m-90) cc_final: 0.6690 (p-90) REVERT: BT 200 ARG cc_start: 0.4133 (mmm160) cc_final: 0.3522 (ttp-110) REVERT: BT 229 TYR cc_start: 0.7254 (OUTLIER) cc_final: 0.6414 (m-10) REVERT: BU 130 TYR cc_start: 0.7490 (t80) cc_final: 0.7226 (t80) REVERT: BU 175 LYS cc_start: 0.8246 (mttp) cc_final: 0.7854 (mmmt) REVERT: BU 185 LEU cc_start: 0.7267 (OUTLIER) cc_final: 0.7043 (tp) REVERT: BU 216 MET cc_start: 0.6244 (tmm) cc_final: 0.5820 (tmm) REVERT: BU 340 GLU cc_start: 0.7203 (mm-30) cc_final: 0.6749 (mm-30) REVERT: BU 447 PHE cc_start: 0.7500 (OUTLIER) cc_final: 0.7180 (m-80) REVERT: BW 108 LYS cc_start: 0.4894 (mmtt) cc_final: 0.4280 (mmtm) REVERT: BW 113 ASP cc_start: 0.7732 (OUTLIER) cc_final: 0.6886 (t0) REVERT: BW 193 MET cc_start: 0.7795 (ttp) cc_final: 0.7360 (ttp) REVERT: BW 206 LEU cc_start: 0.8992 (OUTLIER) cc_final: 0.8520 (mp) REVERT: BW 265 GLU cc_start: 0.8110 (OUTLIER) cc_final: 0.7693 (tp30) REVERT: BW 598 ARG cc_start: 0.8674 (OUTLIER) cc_final: 0.8248 (mtp180) REVERT: BW 654 ASN cc_start: 0.5574 (OUTLIER) cc_final: 0.5045 (p0) REVERT: BW 660 TYR cc_start: 0.7652 (OUTLIER) cc_final: 0.6527 (t80) REVERT: BV 140 ASN cc_start: 0.6274 (OUTLIER) cc_final: 0.5458 (m-40) REVERT: BV 156 TRP cc_start: 0.5478 (OUTLIER) cc_final: 0.5179 (m-10) REVERT: BV 164 ARG cc_start: 0.6030 (mmm-85) cc_final: 0.5498 (mmt180) REVERT: BV 192 TRP cc_start: 0.7796 (t60) cc_final: 0.7371 (t60) REVERT: BV 204 PHE cc_start: 0.5313 (m-80) cc_final: 0.4911 (t80) REVERT: BV 208 ASP cc_start: 0.7264 (OUTLIER) cc_final: 0.6548 (t0) outliers start: 1034 outliers final: 674 residues processed: 2826 average time/residue: 1.1884 time to fit residues: 5862.4818 Evaluate side-chains 2600 residues out of total 12517 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 747 poor density : 1853 time to evaluate : 10.838 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 36 ARG Chi-restraints excluded: chain A residue 40 SER Chi-restraints excluded: chain A residue 49 MET Chi-restraints excluded: chain A residue 112 TYR Chi-restraints excluded: chain A residue 140 THR Chi-restraints excluded: chain A residue 145 ASP Chi-restraints excluded: chain A residue 165 LYS Chi-restraints excluded: chain A residue 185 VAL Chi-restraints excluded: chain A residue 237 VAL Chi-restraints excluded: chain A residue 255 HIS Chi-restraints excluded: chain A residue 257 PHE Chi-restraints excluded: chain A residue 262 VAL Chi-restraints excluded: chain A residue 275 CYS Chi-restraints excluded: chain A residue 334 ASP Chi-restraints excluded: chain A residue 346 GLU Chi-restraints excluded: chain A residue 355 THR Chi-restraints excluded: chain A residue 381 MET Chi-restraints excluded: chain B residue 9 VAL Chi-restraints excluded: chain B residue 18 VAL Chi-restraints excluded: chain B residue 28 VAL Chi-restraints excluded: chain B residue 42 ASN Chi-restraints excluded: chain B residue 55 SER Chi-restraints excluded: chain B residue 70 LEU Chi-restraints excluded: chain B residue 80 VAL Chi-restraints excluded: chain B residue 85 THR Chi-restraints excluded: chain B residue 94 VAL Chi-restraints excluded: chain B residue 97 LEU Chi-restraints excluded: chain B residue 104 THR Chi-restraints excluded: chain B residue 181 VAL Chi-restraints excluded: chain B residue 203 LEU Chi-restraints excluded: chain B residue 242 HIS Chi-restraints excluded: chain B residue 257 THR Chi-restraints excluded: chain B residue 263 ASP Chi-restraints excluded: chain B residue 273 ASN Chi-restraints excluded: chain B residue 286 ASP Chi-restraints excluded: chain B residue 287 GLU Chi-restraints excluded: chain B residue 300 THR Chi-restraints excluded: chain B residue 312 ILE Chi-restraints excluded: chain B residue 334 LEU Chi-restraints excluded: chain B residue 345 LEU Chi-restraints excluded: chain C residue 18 HIS Chi-restraints excluded: chain C residue 115 VAL Chi-restraints excluded: chain C residue 118 LEU Chi-restraints excluded: chain C residue 136 THR Chi-restraints excluded: chain C residue 149 LEU Chi-restraints excluded: chain C residue 158 THR Chi-restraints excluded: chain C residue 159 GLU Chi-restraints excluded: chain C residue 178 ILE Chi-restraints excluded: chain C residue 181 THR Chi-restraints excluded: chain C residue 190 GLU Chi-restraints excluded: chain C residue 192 GLN Chi-restraints excluded: chain C residue 203 ILE Chi-restraints excluded: chain C residue 213 ASP Chi-restraints excluded: chain E residue 24 ASN Chi-restraints excluded: chain E residue 44 PHE Chi-restraints excluded: chain E residue 51 HIS Chi-restraints excluded: chain E residue 64 THR Chi-restraints excluded: chain E residue 102 VAL Chi-restraints excluded: chain E residue 109 ASP Chi-restraints excluded: chain E residue 121 THR Chi-restraints excluded: chain E residue 139 VAL Chi-restraints excluded: chain E residue 180 VAL Chi-restraints excluded: chain E residue 181 VAL Chi-restraints excluded: chain E residue 197 VAL Chi-restraints excluded: chain E residue 214 SER Chi-restraints excluded: chain F residue 4 GLN Chi-restraints excluded: chain F residue 59 ASP Chi-restraints excluded: chain F residue 76 THR Chi-restraints excluded: chain F residue 104 LYS Chi-restraints excluded: chain F residue 132 VAL Chi-restraints excluded: chain G residue 34 LEU Chi-restraints excluded: chain G residue 47 SER Chi-restraints excluded: chain G residue 50 ASP Chi-restraints excluded: chain G residue 71 ASN Chi-restraints excluded: chain G residue 76 THR Chi-restraints excluded: chain G residue 90 ILE Chi-restraints excluded: chain G residue 98 THR Chi-restraints excluded: chain G residue 104 VAL Chi-restraints excluded: chain G residue 108 SER Chi-restraints excluded: chain G residue 113 ILE Chi-restraints excluded: chain G residue 158 SER Chi-restraints excluded: chain G residue 208 ASP Chi-restraints excluded: chain G residue 217 VAL Chi-restraints excluded: chain G residue 226 VAL Chi-restraints excluded: chain G residue 228 TYR Chi-restraints excluded: chain G residue 242 ILE Chi-restraints excluded: chain G residue 262 LEU Chi-restraints excluded: chain G residue 269 GLU Chi-restraints excluded: chain G residue 321 ILE Chi-restraints excluded: chain G residue 322 ARG Chi-restraints excluded: chain I residue 44 LEU Chi-restraints excluded: chain I residue 186 PHE Chi-restraints excluded: chain I residue 227 LEU Chi-restraints excluded: chain I residue 247 ASP Chi-restraints excluded: chain I residue 263 LEU Chi-restraints excluded: chain J residue 5 GLU Chi-restraints excluded: chain J residue 6 ARG Chi-restraints excluded: chain J residue 20 PHE Chi-restraints excluded: chain J residue 37 ILE Chi-restraints excluded: chain J residue 48 THR Chi-restraints excluded: chain J residue 66 ARG Chi-restraints excluded: chain J residue 73 THR Chi-restraints excluded: chain J residue 82 THR Chi-restraints excluded: chain J residue 84 ILE Chi-restraints excluded: chain J residue 88 LEU Chi-restraints excluded: chain J residue 90 VAL Chi-restraints excluded: chain J residue 115 THR Chi-restraints excluded: chain K residue 14 THR Chi-restraints excluded: chain K residue 126 THR Chi-restraints excluded: chain K residue 162 THR Chi-restraints excluded: chain K residue 175 THR Chi-restraints excluded: chain L residue 39 VAL Chi-restraints excluded: chain L residue 42 VAL Chi-restraints excluded: chain L residue 44 ARG Chi-restraints excluded: chain L residue 53 ILE Chi-restraints excluded: chain L residue 77 VAL Chi-restraints excluded: chain L residue 79 VAL Chi-restraints excluded: chain L residue 91 ASN Chi-restraints excluded: chain L residue 92 VAL Chi-restraints excluded: chain L residue 93 VAL Chi-restraints excluded: chain L residue 94 SER Chi-restraints excluded: chain L residue 98 THR Chi-restraints excluded: chain L residue 118 ILE Chi-restraints excluded: chain L residue 149 ASN Chi-restraints excluded: chain L residue 151 VAL Chi-restraints excluded: chain L residue 159 ASP Chi-restraints excluded: chain L residue 160 LEU Chi-restraints excluded: chain M residue 45 THR Chi-restraints excluded: chain M residue 57 THR Chi-restraints excluded: chain M residue 62 LEU Chi-restraints excluded: chain M residue 65 THR Chi-restraints excluded: chain M residue 88 ASN Chi-restraints excluded: chain M residue 105 VAL Chi-restraints excluded: chain M residue 109 VAL Chi-restraints excluded: chain M residue 152 VAL Chi-restraints excluded: chain M residue 174 MET Chi-restraints excluded: chain M residue 228 SER Chi-restraints excluded: chain M residue 241 MET Chi-restraints excluded: chain M residue 249 ILE Chi-restraints excluded: chain M residue 256 THR Chi-restraints excluded: chain N residue 54 ASN Chi-restraints excluded: chain N residue 55 GLN Chi-restraints excluded: chain N residue 61 ARG Chi-restraints excluded: chain N residue 72 THR Chi-restraints excluded: chain N residue 73 THR Chi-restraints excluded: chain N residue 105 ILE Chi-restraints excluded: chain N residue 123 HIS Chi-restraints excluded: chain N residue 149 VAL Chi-restraints excluded: chain N residue 153 LEU Chi-restraints excluded: chain N residue 154 VAL Chi-restraints excluded: chain N residue 155 LEU Chi-restraints excluded: chain N residue 164 THR Chi-restraints excluded: chain N residue 186 ILE Chi-restraints excluded: chain N residue 190 ASP Chi-restraints excluded: chain N residue 212 ILE Chi-restraints excluded: chain N residue 223 VAL Chi-restraints excluded: chain O residue 56 LEU Chi-restraints excluded: chain O residue 67 ILE Chi-restraints excluded: chain O residue 77 ASP Chi-restraints excluded: chain O residue 87 ILE Chi-restraints excluded: chain O residue 98 ASP Chi-restraints excluded: chain O residue 100 THR Chi-restraints excluded: chain O residue 196 SER Chi-restraints excluded: chain O residue 197 VAL Chi-restraints excluded: chain O residue 238 LEU Chi-restraints excluded: chain O residue 290 ASP Chi-restraints excluded: chain Q residue 11 SER Chi-restraints excluded: chain Q residue 21 ARG Chi-restraints excluded: chain Q residue 49 VAL Chi-restraints excluded: chain Q residue 92 VAL Chi-restraints excluded: chain Q residue 114 LEU Chi-restraints excluded: chain Q residue 161 LEU Chi-restraints excluded: chain Q residue 196 GLU Chi-restraints excluded: chain Q residue 219 VAL Chi-restraints excluded: chain R residue 52 LEU Chi-restraints excluded: chain R residue 57 GLU Chi-restraints excluded: chain R residue 72 GLN Chi-restraints excluded: chain R residue 138 THR Chi-restraints excluded: chain R residue 149 VAL Chi-restraints excluded: chain R residue 150 ASP Chi-restraints excluded: chain R residue 163 VAL Chi-restraints excluded: chain R residue 211 SER Chi-restraints excluded: chain R residue 213 THR Chi-restraints excluded: chain R residue 237 HIS Chi-restraints excluded: chain R residue 256 HIS Chi-restraints excluded: chain R residue 258 VAL Chi-restraints excluded: chain R residue 283 ILE Chi-restraints excluded: chain R residue 321 VAL Chi-restraints excluded: chain R residue 332 VAL Chi-restraints excluded: chain R residue 353 ILE Chi-restraints excluded: chain R residue 474 GLU Chi-restraints excluded: chain R residue 475 VAL Chi-restraints excluded: chain S residue 262 CYS Chi-restraints excluded: chain S residue 267 PHE Chi-restraints excluded: chain S residue 290 VAL Chi-restraints excluded: chain S residue 324 ILE Chi-restraints excluded: chain S residue 337 ILE Chi-restraints excluded: chain S residue 347 VAL Chi-restraints excluded: chain S residue 349 ASN Chi-restraints excluded: chain S residue 377 LYS Chi-restraints excluded: chain S residue 384 HIS Chi-restraints excluded: chain S residue 385 HIS Chi-restraints excluded: chain T residue 34 ASN Chi-restraints excluded: chain T residue 52 LEU Chi-restraints excluded: chain T residue 62 LEU Chi-restraints excluded: chain T residue 65 GLU Chi-restraints excluded: chain T residue 78 CYS Chi-restraints excluded: chain V residue 38 GLN Chi-restraints excluded: chain V residue 54 VAL Chi-restraints excluded: chain V residue 73 VAL Chi-restraints excluded: chain V residue 127 GLU Chi-restraints excluded: chain V residue 142 LYS Chi-restraints excluded: chain V residue 150 VAL Chi-restraints excluded: chain Z residue 55 HIS Chi-restraints excluded: chain Z residue 80 ARG Chi-restraints excluded: chain Z residue 97 VAL Chi-restraints excluded: chain Z residue 116 SER Chi-restraints excluded: chain Z residue 131 TRP Chi-restraints excluded: chain Z residue 149 ASP Chi-restraints excluded: chain Z residue 157 VAL Chi-restraints excluded: chain BA residue 68 VAL Chi-restraints excluded: chain BA residue 90 LEU Chi-restraints excluded: chain BA residue 112 GLU Chi-restraints excluded: chain BA residue 138 VAL Chi-restraints excluded: chain BA residue 142 SER Chi-restraints excluded: chain BA residue 147 SER Chi-restraints excluded: chain CA residue 85 HIS Chi-restraints excluded: chain CA residue 88 GLU Chi-restraints excluded: chain CA residue 110 SER Chi-restraints excluded: chain CA residue 118 GLU Chi-restraints excluded: chain CA residue 122 THR Chi-restraints excluded: chain CA residue 137 SER Chi-restraints excluded: chain CA residue 154 LEU Chi-restraints excluded: chain CA residue 193 SER Chi-restraints excluded: chain CA residue 198 THR Chi-restraints excluded: chain CA residue 207 THR Chi-restraints excluded: chain CA residue 217 HIS Chi-restraints excluded: chain CA residue 227 ASP Chi-restraints excluded: chain CA residue 241 VAL Chi-restraints excluded: chain CA residue 251 LEU Chi-restraints excluded: chain CA residue 275 ILE Chi-restraints excluded: chain CA residue 276 ASN Chi-restraints excluded: chain CA residue 285 ILE Chi-restraints excluded: chain CA residue 291 PHE Chi-restraints excluded: chain CA residue 312 THR Chi-restraints excluded: chain CA residue 329 ASN Chi-restraints excluded: chain CA residue 334 THR Chi-restraints excluded: chain CA residue 339 VAL Chi-restraints excluded: chain CA residue 345 VAL Chi-restraints excluded: chain CA residue 355 THR Chi-restraints excluded: chain CA residue 416 ARG Chi-restraints excluded: chain CA residue 425 ARG Chi-restraints excluded: chain CA residue 437 VAL Chi-restraints excluded: chain CA residue 444 SER Chi-restraints excluded: chain CA residue 445 HIS Chi-restraints excluded: chain CA residue 446 TYR Chi-restraints excluded: chain CA residue 449 ASP Chi-restraints excluded: chain CA residue 453 LEU Chi-restraints excluded: chain CA residue 470 HIS Chi-restraints excluded: chain CA residue 471 SER Chi-restraints excluded: chain CA residue 477 PHE Chi-restraints excluded: chain CA residue 478 THR Chi-restraints excluded: chain CA residue 503 THR Chi-restraints excluded: chain CA residue 536 PHE Chi-restraints excluded: chain CA residue 544 THR Chi-restraints excluded: chain CA residue 549 LEU Chi-restraints excluded: chain BB residue 19 VAL Chi-restraints excluded: chain BB residue 25 LEU Chi-restraints excluded: chain BB residue 33 ARG Chi-restraints excluded: chain BB residue 37 ARG Chi-restraints excluded: chain BB residue 85 ASP Chi-restraints excluded: chain BB residue 94 LEU Chi-restraints excluded: chain BB residue 102 ILE Chi-restraints excluded: chain CB residue 75 GLU Chi-restraints excluded: chain CB residue 83 MET Chi-restraints excluded: chain CB residue 110 ILE Chi-restraints excluded: chain CB residue 114 LYS Chi-restraints excluded: chain CB residue 115 ARG Chi-restraints excluded: chain CB residue 132 VAL Chi-restraints excluded: chain CB residue 165 ILE Chi-restraints excluded: chain CB residue 180 THR Chi-restraints excluded: chain BK residue 164 HIS Chi-restraints excluded: chain BK residue 169 ASP Chi-restraints excluded: chain BK residue 203 THR Chi-restraints excluded: chain BK residue 212 LEU Chi-restraints excluded: chain BK residue 228 ASN Chi-restraints excluded: chain BK residue 233 ILE Chi-restraints excluded: chain BK residue 238 LEU Chi-restraints excluded: chain BK residue 243 SER Chi-restraints excluded: chain BK residue 289 LEU Chi-restraints excluded: chain BK residue 300 THR Chi-restraints excluded: chain BK residue 304 ASN Chi-restraints excluded: chain BK residue 318 VAL Chi-restraints excluded: chain BK residue 383 VAL Chi-restraints excluded: chain BK residue 393 ASP Chi-restraints excluded: chain BK residue 415 VAL Chi-restraints excluded: chain BK residue 428 LEU Chi-restraints excluded: chain BK residue 438 MET Chi-restraints excluded: chain BK residue 439 ASP Chi-restraints excluded: chain BK residue 454 LEU Chi-restraints excluded: chain BK residue 469 LEU Chi-restraints excluded: chain BK residue 471 CYS Chi-restraints excluded: chain BK residue 475 ASP Chi-restraints excluded: chain BK residue 527 VAL Chi-restraints excluded: chain BK residue 529 HIS Chi-restraints excluded: chain BK residue 547 SER Chi-restraints excluded: chain BK residue 571 ASP Chi-restraints excluded: chain BK residue 595 LEU Chi-restraints excluded: chain BK residue 601 VAL Chi-restraints excluded: chain BK residue 612 TYR Chi-restraints excluded: chain BK residue 627 LEU Chi-restraints excluded: chain BK residue 637 VAL Chi-restraints excluded: chain BK residue 639 ASN Chi-restraints excluded: chain BK residue 642 LEU Chi-restraints excluded: chain BK residue 664 SER Chi-restraints excluded: chain BK residue 667 ASP Chi-restraints excluded: chain BK residue 688 THR Chi-restraints excluded: chain BK residue 727 THR Chi-restraints excluded: chain BK residue 749 VAL Chi-restraints excluded: chain BK residue 751 VAL Chi-restraints excluded: chain BK residue 778 THR Chi-restraints excluded: chain BK residue 785 SER Chi-restraints excluded: chain BK residue 789 LEU Chi-restraints excluded: chain BK residue 875 THR Chi-restraints excluded: chain BQ residue 15 SER Chi-restraints excluded: chain BQ residue 32 MET Chi-restraints excluded: chain BQ residue 71 LEU Chi-restraints excluded: chain BQ residue 117 ASN Chi-restraints excluded: chain BQ residue 124 ILE Chi-restraints excluded: chain BQ residue 128 VAL Chi-restraints excluded: chain BQ residue 144 VAL Chi-restraints excluded: chain BQ residue 146 VAL Chi-restraints excluded: chain BQ residue 183 HIS Chi-restraints excluded: chain BQ residue 206 ASP Chi-restraints excluded: chain BQ residue 284 SER Chi-restraints excluded: chain BQ residue 305 LEU Chi-restraints excluded: chain BQ residue 311 MET Chi-restraints excluded: chain BQ residue 354 LEU Chi-restraints excluded: chain BQ residue 379 VAL Chi-restraints excluded: chain BQ residue 381 SER Chi-restraints excluded: chain BQ residue 428 ARG Chi-restraints excluded: chain BQ residue 438 THR Chi-restraints excluded: chain BN residue 101 ILE Chi-restraints excluded: chain BN residue 117 CYS Chi-restraints excluded: chain BN residue 121 PHE Chi-restraints excluded: chain BN residue 128 VAL Chi-restraints excluded: chain BN residue 143 LEU Chi-restraints excluded: chain BN residue 150 VAL Chi-restraints excluded: chain BN residue 151 GLU Chi-restraints excluded: chain BN residue 163 LEU Chi-restraints excluded: chain BN residue 168 THR Chi-restraints excluded: chain BN residue 171 SER Chi-restraints excluded: chain BN residue 212 HIS Chi-restraints excluded: chain BN residue 222 ASP Chi-restraints excluded: chain BN residue 225 ILE Chi-restraints excluded: chain BN residue 298 ILE Chi-restraints excluded: chain BE residue 102 VAL Chi-restraints excluded: chain BO residue 63 GLN Chi-restraints excluded: chain BO residue 64 VAL Chi-restraints excluded: chain BO residue 70 ASP Chi-restraints excluded: chain BO residue 72 THR Chi-restraints excluded: chain BO residue 75 LYS Chi-restraints excluded: chain BO residue 90 HIS Chi-restraints excluded: chain BO residue 132 THR Chi-restraints excluded: chain BO residue 136 THR Chi-restraints excluded: chain BO residue 150 ASN Chi-restraints excluded: chain BO residue 154 ILE Chi-restraints excluded: chain BO residue 162 LEU Chi-restraints excluded: chain BO residue 177 LYS Chi-restraints excluded: chain BO residue 180 LEU Chi-restraints excluded: chain At residue 25 ASP Chi-restraints excluded: chain At residue 27 VAL Chi-restraints excluded: chain At residue 53 THR Chi-restraints excluded: chain At residue 63 THR Chi-restraints excluded: chain At residue 131 ARG Chi-restraints excluded: chain At residue 168 SER Chi-restraints excluded: chain At residue 172 THR Chi-restraints excluded: chain Au residue 112 MET Chi-restraints excluded: chain Au residue 118 VAL Chi-restraints excluded: chain Au residue 129 ASP Chi-restraints excluded: chain Au residue 141 VAL Chi-restraints excluded: chain Au residue 165 LYS Chi-restraints excluded: chain Au residue 169 VAL Chi-restraints excluded: chain Au residue 171 SER Chi-restraints excluded: chain Ae residue 16 LEU Chi-restraints excluded: chain Ae residue 96 GLU Chi-restraints excluded: chain Ae residue 100 LEU Chi-restraints excluded: chain Ae residue 114 THR Chi-restraints excluded: chain Ae residue 127 VAL Chi-restraints excluded: chain Ae residue 135 LEU Chi-restraints excluded: chain Ae residue 179 GLU Chi-restraints excluded: chain Ae residue 182 THR Chi-restraints excluded: chain Ae residue 184 THR Chi-restraints excluded: chain Ae residue 254 ASP Chi-restraints excluded: chain Ae residue 255 LEU Chi-restraints excluded: chain Ae residue 276 VAL Chi-restraints excluded: chain Ae residue 278 ASN Chi-restraints excluded: chain Af residue 61 VAL Chi-restraints excluded: chain Af residue 79 SER Chi-restraints excluded: chain Af residue 94 VAL Chi-restraints excluded: chain Af residue 116 VAL Chi-restraints excluded: chain Af residue 141 SER Chi-restraints excluded: chain Af residue 143 ASP Chi-restraints excluded: chain Af residue 144 THR Chi-restraints excluded: chain Ah residue 57 VAL Chi-restraints excluded: chain Ah residue 139 THR Chi-restraints excluded: chain Ah residue 146 MET Chi-restraints excluded: chain Ah residue 196 VAL Chi-restraints excluded: chain Ah residue 219 LEU Chi-restraints excluded: chain Ah residue 238 ARG Chi-restraints excluded: chain Ah residue 242 LEU Chi-restraints excluded: chain Ah residue 251 VAL Chi-restraints excluded: chain Ah residue 256 VAL Chi-restraints excluded: chain Ah residue 264 LEU Chi-restraints excluded: chain Ah residue 280 ILE Chi-restraints excluded: chain Ah residue 311 VAL Chi-restraints excluded: chain Ah residue 332 LEU Chi-restraints excluded: chain Ah residue 369 VAL Chi-restraints excluded: chain Ah residue 404 HIS Chi-restraints excluded: chain Ah residue 409 THR Chi-restraints excluded: chain Ah residue 454 ASP Chi-restraints excluded: chain Ah residue 458 VAL Chi-restraints excluded: chain Ap residue 13 VAL Chi-restraints excluded: chain Ap residue 15 THR Chi-restraints excluded: chain Ap residue 39 ASN Chi-restraints excluded: chain Ap residue 49 LYS Chi-restraints excluded: chain Ap residue 51 VAL Chi-restraints excluded: chain Ap residue 70 ASN Chi-restraints excluded: chain Ap residue 136 VAL Chi-restraints excluded: chain Ap residue 157 THR Chi-restraints excluded: chain Ap residue 175 HIS Chi-restraints excluded: chain Ap residue 178 LEU Chi-restraints excluded: chain Ap residue 186 THR Chi-restraints excluded: chain Ap residue 200 TYR Chi-restraints excluded: chain Ap residue 211 ASN Chi-restraints excluded: chain Al residue 85 GLU Chi-restraints excluded: chain Al residue 87 GLU Chi-restraints excluded: chain Al residue 98 GLN Chi-restraints excluded: chain Al residue 106 VAL Chi-restraints excluded: chain Al residue 114 LEU Chi-restraints excluded: chain Al residue 116 ASN Chi-restraints excluded: chain Al residue 132 SER Chi-restraints excluded: chain Al residue 150 VAL Chi-restraints excluded: chain Al residue 159 THR Chi-restraints excluded: chain Al residue 178 THR Chi-restraints excluded: chain Al residue 187 ASP Chi-restraints excluded: chain Al residue 202 THR Chi-restraints excluded: chain Al residue 232 MET Chi-restraints excluded: chain Al residue 240 LEU Chi-restraints excluded: chain Al residue 245 VAL Chi-restraints excluded: chain Al residue 264 VAL Chi-restraints excluded: chain Al residue 278 ARG Chi-restraints excluded: chain Al residue 298 ASN Chi-restraints excluded: chain Ab residue 8 CYS Chi-restraints excluded: chain Ab residue 47 ILE Chi-restraints excluded: chain Ab residue 55 SER Chi-restraints excluded: chain Ab residue 83 PHE Chi-restraints excluded: chain Ab residue 112 THR Chi-restraints excluded: chain Aa residue 48 VAL Chi-restraints excluded: chain Aa residue 80 ASP Chi-restraints excluded: chain Aa residue 85 SER Chi-restraints excluded: chain Aa residue 88 THR Chi-restraints excluded: chain Aa residue 91 LEU Chi-restraints excluded: chain Aa residue 96 ARG Chi-restraints excluded: chain Aa residue 102 ASP Chi-restraints excluded: chain Aa residue 105 VAL Chi-restraints excluded: chain Aa residue 169 ILE Chi-restraints excluded: chain BP residue -37 THR Chi-restraints excluded: chain BP residue -33 SER Chi-restraints excluded: chain BP residue -4 THR Chi-restraints excluded: chain BP residue -3 HIS Chi-restraints excluded: chain BP residue 4 HIS Chi-restraints excluded: chain BP residue 10 TYR Chi-restraints excluded: chain BP residue 32 ILE Chi-restraints excluded: chain BP residue 35 LYS Chi-restraints excluded: chain Az residue 27 LYS Chi-restraints excluded: chain Az residue 32 LYS Chi-restraints excluded: chain Az residue 74 ASN Chi-restraints excluded: chain Az residue 85 ASN Chi-restraints excluded: chain Az residue 94 ASP Chi-restraints excluded: chain Az residue 113 VAL Chi-restraints excluded: chain Az residue 139 SER Chi-restraints excluded: chain Am residue 50 ARG Chi-restraints excluded: chain Am residue 80 ASP Chi-restraints excluded: chain Am residue 140 TYR Chi-restraints excluded: chain Am residue 183 VAL Chi-restraints excluded: chain Am residue 218 MET Chi-restraints excluded: chain Am residue 230 ASP Chi-restraints excluded: chain Am residue 247 GLU Chi-restraints excluded: chain Am residue 270 ILE Chi-restraints excluded: chain Am residue 274 ASP Chi-restraints excluded: chain Am residue 279 GLN Chi-restraints excluded: chain Am residue 310 LEU Chi-restraints excluded: chain Am residue 325 PHE Chi-restraints excluded: chain Am residue 327 ASP Chi-restraints excluded: chain As residue 71 THR Chi-restraints excluded: chain As residue 86 THR Chi-restraints excluded: chain As residue 124 VAL Chi-restraints excluded: chain As residue 153 LEU Chi-restraints excluded: chain As residue 182 THR Chi-restraints excluded: chain As residue 186 LEU Chi-restraints excluded: chain BG residue 1273 SER Chi-restraints excluded: chain BG residue 1282 THR Chi-restraints excluded: chain BG residue 1295 THR Chi-restraints excluded: chain BG residue 1304 MET Chi-restraints excluded: chain BG residue 1314 ASP Chi-restraints excluded: chain BG residue 1315 THR Chi-restraints excluded: chain Ad residue 24 TYR Chi-restraints excluded: chain Ad residue 41 LEU Chi-restraints excluded: chain Ad residue 52 THR Chi-restraints excluded: chain Ad residue 77 LEU Chi-restraints excluded: chain Ad residue 138 VAL Chi-restraints excluded: chain Ad residue 153 ILE Chi-restraints excluded: chain Aw residue 6 VAL Chi-restraints excluded: chain Aw residue 53 VAL Chi-restraints excluded: chain Aw residue 55 ASP Chi-restraints excluded: chain Aw residue 159 VAL Chi-restraints excluded: chain BH residue 28 VAL Chi-restraints excluded: chain BH residue 127 THR Chi-restraints excluded: chain BH residue 132 HIS Chi-restraints excluded: chain BH residue 157 VAL Chi-restraints excluded: chain Aj residue 259 THR Chi-restraints excluded: chain Aj residue 275 MET Chi-restraints excluded: chain Aj residue 309 VAL Chi-restraints excluded: chain Aj residue 330 LEU Chi-restraints excluded: chain Aj residue 359 VAL Chi-restraints excluded: chain Aj residue 373 PHE Chi-restraints excluded: chain Aj residue 386 VAL Chi-restraints excluded: chain Aj residue 421 VAL Chi-restraints excluded: chain Aj residue 453 ILE Chi-restraints excluded: chain Aj residue 463 VAL Chi-restraints excluded: chain Aj residue 467 VAL Chi-restraints excluded: chain Aj residue 470 MET Chi-restraints excluded: chain Aj residue 481 SER Chi-restraints excluded: chain Aj residue 490 LYS Chi-restraints excluded: chain Ar residue 20 ILE Chi-restraints excluded: chain Ar residue 23 ILE Chi-restraints excluded: chain Ar residue 38 GLU Chi-restraints excluded: chain Ar residue 42 ILE Chi-restraints excluded: chain Ar residue 73 ASP Chi-restraints excluded: chain Ar residue 77 TYR Chi-restraints excluded: chain Ar residue 106 THR Chi-restraints excluded: chain Ar residue 118 GLN Chi-restraints excluded: chain Ar residue 169 LEU Chi-restraints excluded: chain Ar residue 181 ARG Chi-restraints excluded: chain Ar residue 186 ASN Chi-restraints excluded: chain An residue 134 PHE Chi-restraints excluded: chain An residue 143 GLU Chi-restraints excluded: chain An residue 167 VAL Chi-restraints excluded: chain An residue 189 VAL Chi-restraints excluded: chain An residue 193 THR Chi-restraints excluded: chain An residue 196 LEU Chi-restraints excluded: chain An residue 214 VAL Chi-restraints excluded: chain An residue 265 ASP Chi-restraints excluded: chain An residue 274 GLU Chi-restraints excluded: chain BF residue 67 GLU Chi-restraints excluded: chain Av residue 90 ILE Chi-restraints excluded: chain Av residue 96 ASP Chi-restraints excluded: chain Av residue 111 ASN Chi-restraints excluded: chain BM residue 20 LEU Chi-restraints excluded: chain BM residue 28 VAL Chi-restraints excluded: chain BM residue 72 TYR Chi-restraints excluded: chain BM residue 94 MET Chi-restraints excluded: chain BM residue 109 THR Chi-restraints excluded: chain BM residue 122 LEU Chi-restraints excluded: chain BM residue 129 LEU Chi-restraints excluded: chain BM residue 134 LYS Chi-restraints excluded: chain BM residue 138 VAL Chi-restraints excluded: chain BM residue 192 LEU Chi-restraints excluded: chain BM residue 216 GLN Chi-restraints excluded: chain BM residue 233 VAL Chi-restraints excluded: chain BM residue 245 TYR Chi-restraints excluded: chain BM residue 252 VAL Chi-restraints excluded: chain BM residue 266 TRP Chi-restraints excluded: chain BM residue 286 TYR Chi-restraints excluded: chain BM residue 305 ASP Chi-restraints excluded: chain BM residue 308 THR Chi-restraints excluded: chain BM residue 311 CYS Chi-restraints excluded: chain BM residue 326 TYR Chi-restraints excluded: chain BM residue 327 LEU Chi-restraints excluded: chain BM residue 329 THR Chi-restraints excluded: chain BM residue 333 ILE Chi-restraints excluded: chain BM residue 343 VAL Chi-restraints excluded: chain BM residue 349 LEU Chi-restraints excluded: chain BM residue 361 LEU Chi-restraints excluded: chain Ag residue 50 SER Chi-restraints excluded: chain Ag residue 98 ASP Chi-restraints excluded: chain Ag residue 99 VAL Chi-restraints excluded: chain Ag residue 110 SER Chi-restraints excluded: chain Bl residue 131 ILE Chi-restraints excluded: chain Bl residue 154 VAL Chi-restraints excluded: chain Bl residue 160 VAL Chi-restraints excluded: chain Bl residue 166 VAL Chi-restraints excluded: chain Bl residue 176 ILE Chi-restraints excluded: chain Bl residue 193 ASP Chi-restraints excluded: chain Bl residue 258 VAL Chi-restraints excluded: chain Ax residue 55 VAL Chi-restraints excluded: chain Ax residue 94 ASP Chi-restraints excluded: chain Ax residue 154 HIS Chi-restraints excluded: chain Ax residue 168 SER Chi-restraints excluded: chain Ax residue 169 CYS Chi-restraints excluded: chain BS residue 303 ILE Chi-restraints excluded: chain BS residue 320 VAL Chi-restraints excluded: chain BS residue 380 TYR Chi-restraints excluded: chain BS residue 399 ILE Chi-restraints excluded: chain BY residue 130 GLU Chi-restraints excluded: chain BY residue 138 PHE Chi-restraints excluded: chain BY residue 139 LEU Chi-restraints excluded: chain BY residue 140 HIS Chi-restraints excluded: chain BY residue 145 THR Chi-restraints excluded: chain BY residue 156 VAL Chi-restraints excluded: chain BY residue 158 VAL Chi-restraints excluded: chain BY residue 191 LEU Chi-restraints excluded: chain BY residue 201 VAL Chi-restraints excluded: chain BY residue 217 ILE Chi-restraints excluded: chain BY residue 225 ASP Chi-restraints excluded: chain BY residue 257 VAL Chi-restraints excluded: chain BY residue 306 VAL Chi-restraints excluded: chain BX residue 80 ASP Chi-restraints excluded: chain BX residue 113 MET Chi-restraints excluded: chain BX residue 145 THR Chi-restraints excluded: chain BX residue 163 ASP Chi-restraints excluded: chain BX residue 188 ASN Chi-restraints excluded: chain BX residue 193 LEU Chi-restraints excluded: chain BX residue 242 THR Chi-restraints excluded: chain BX residue 260 LEU Chi-restraints excluded: chain BX residue 270 LEU Chi-restraints excluded: chain BX residue 274 CYS Chi-restraints excluded: chain BX residue 295 PHE Chi-restraints excluded: chain BX residue 317 VAL Chi-restraints excluded: chain BX residue 341 SER Chi-restraints excluded: chain BX residue 347 LEU Chi-restraints excluded: chain BZ residue 61 THR Chi-restraints excluded: chain BZ residue 65 PHE Chi-restraints excluded: chain BZ residue 80 TRP Chi-restraints excluded: chain BZ residue 97 TYR Chi-restraints excluded: chain BZ residue 98 ARG Chi-restraints excluded: chain BZ residue 100 ASN Chi-restraints excluded: chain BZ residue 109 THR Chi-restraints excluded: chain BZ residue 115 ASP Chi-restraints excluded: chain BZ residue 118 VAL Chi-restraints excluded: chain BZ residue 120 VAL Chi-restraints excluded: chain BZ residue 125 PHE Chi-restraints excluded: chain BZ residue 189 HIS Chi-restraints excluded: chain BZ residue 198 ASP Chi-restraints excluded: chain BZ residue 213 ILE Chi-restraints excluded: chain BZ residue 227 LEU Chi-restraints excluded: chain BZ residue 286 THR Chi-restraints excluded: chain BZ residue 311 ILE Chi-restraints excluded: chain BZ residue 317 THR Chi-restraints excluded: chain BZ residue 347 PHE Chi-restraints excluded: chain BZ residue 351 LEU Chi-restraints excluded: chain CC residue 70 ASP Chi-restraints excluded: chain CC residue 102 ASP Chi-restraints excluded: chain CC residue 110 VAL Chi-restraints excluded: chain CC residue 114 VAL Chi-restraints excluded: chain CC residue 138 ASP Chi-restraints excluded: chain CD residue 37 ASN Chi-restraints excluded: chain CD residue 60 THR Chi-restraints excluded: chain CD residue 78 THR Chi-restraints excluded: chain CD residue 80 VAL Chi-restraints excluded: chain CD residue 94 GLU Chi-restraints excluded: chain CD residue 103 SER Chi-restraints excluded: chain BT residue 71 ASP Chi-restraints excluded: chain BT residue 143 VAL Chi-restraints excluded: chain BT residue 151 THR Chi-restraints excluded: chain BT residue 153 ILE Chi-restraints excluded: chain BT residue 178 THR Chi-restraints excluded: chain BT residue 205 VAL Chi-restraints excluded: chain BT residue 213 ARG Chi-restraints excluded: chain BT residue 220 LEU Chi-restraints excluded: chain BT residue 229 TYR Chi-restraints excluded: chain BT residue 235 THR Chi-restraints excluded: chain BT residue 275 VAL Chi-restraints excluded: chain BT residue 289 LEU Chi-restraints excluded: chain BT residue 298 ASP Chi-restraints excluded: chain BT residue 305 GLU Chi-restraints excluded: chain BT residue 343 VAL Chi-restraints excluded: chain BU residue 36 ARG Chi-restraints excluded: chain BU residue 37 MET Chi-restraints excluded: chain BU residue 60 ILE Chi-restraints excluded: chain BU residue 78 LEU Chi-restraints excluded: chain BU residue 103 THR Chi-restraints excluded: chain BU residue 106 THR Chi-restraints excluded: chain BU residue 111 ILE Chi-restraints excluded: chain BU residue 116 VAL Chi-restraints excluded: chain BU residue 185 LEU Chi-restraints excluded: chain BU residue 225 THR Chi-restraints excluded: chain BU residue 231 VAL Chi-restraints excluded: chain BU residue 242 THR Chi-restraints excluded: chain BU residue 263 THR Chi-restraints excluded: chain BU residue 271 CYS Chi-restraints excluded: chain BU residue 273 TYR Chi-restraints excluded: chain BU residue 274 LYS Chi-restraints excluded: chain BU residue 277 LYS Chi-restraints excluded: chain BU residue 282 ASP Chi-restraints excluded: chain BU residue 283 THR Chi-restraints excluded: chain BU residue 309 ILE Chi-restraints excluded: chain BU residue 315 VAL Chi-restraints excluded: chain BU residue 345 VAL Chi-restraints excluded: chain BU residue 355 LEU Chi-restraints excluded: chain BU residue 360 THR Chi-restraints excluded: chain BU residue 386 HIS Chi-restraints excluded: chain BU residue 417 PHE Chi-restraints excluded: chain BU residue 427 ILE Chi-restraints excluded: chain BU residue 447 PHE Chi-restraints excluded: chain BU residue 448 LEU Chi-restraints excluded: chain BU residue 481 VAL Chi-restraints excluded: chain BW residue 100 SER Chi-restraints excluded: chain BW residue 113 ASP Chi-restraints excluded: chain BW residue 121 THR Chi-restraints excluded: chain BW residue 206 LEU Chi-restraints excluded: chain BW residue 207 GLN Chi-restraints excluded: chain BW residue 223 CYS Chi-restraints excluded: chain BW residue 241 THR Chi-restraints excluded: chain BW residue 245 VAL Chi-restraints excluded: chain BW residue 249 ASP Chi-restraints excluded: chain BW residue 253 ILE Chi-restraints excluded: chain BW residue 257 LEU Chi-restraints excluded: chain BW residue 265 GLU Chi-restraints excluded: chain BW residue 519 THR Chi-restraints excluded: chain BW residue 558 ASN Chi-restraints excluded: chain BW residue 565 VAL Chi-restraints excluded: chain BW residue 574 VAL Chi-restraints excluded: chain BW residue 591 SER Chi-restraints excluded: chain BW residue 598 ARG Chi-restraints excluded: chain BW residue 613 GLN Chi-restraints excluded: chain BW residue 625 LYS Chi-restraints excluded: chain BW residue 650 THR Chi-restraints excluded: chain BW residue 654 ASN Chi-restraints excluded: chain BW residue 660 TYR Chi-restraints excluded: chain BV residue 105 LYS Chi-restraints excluded: chain BV residue 140 ASN Chi-restraints excluded: chain BV residue 156 TRP Chi-restraints excluded: chain BV residue 174 ILE Chi-restraints excluded: chain BV residue 208 ASP Chi-restraints excluded: chain BV residue 227 THR Chi-restraints excluded: chain BV residue 296 LEU Chi-restraints excluded: chain BV residue 303 LEU Chi-restraints excluded: chain BV residue 323 THR Chi-restraints excluded: chain BR residue 47 PHE Chi-restraints excluded: chain BR residue 58 LEU Chi-restraints excluded: chain BR residue 131 THR Chi-restraints excluded: chain BR residue 270 GLU Chi-restraints excluded: chain BR residue 271 ASP Chi-restraints excluded: chain BR residue 276 SER Chi-restraints excluded: chain BR residue 278 ARG Rotamers are restrained with sigma=4.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1589 random chunks: chunk 1428 optimal weight: 40.0000 chunk 1086 optimal weight: 5.9990 chunk 750 optimal weight: 20.0000 chunk 160 optimal weight: 10.0000 chunk 689 optimal weight: 7.9990 chunk 970 optimal weight: 6.9990 chunk 1450 optimal weight: 30.0000 chunk 1535 optimal weight: 10.0000 chunk 757 optimal weight: 20.0000 chunk 1374 optimal weight: 0.0030 chunk 413 optimal weight: 5.9990 overall best weight: 5.3998 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** B 169 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 226 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 242 HIS C 142 ASN ** C 151 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** E 52 ASN E 70 GLN 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 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 242 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** J 17 ASN ** J 51 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L 91 ASN L 111 HIS L 149 ASN M 76 ASN ** N 55 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 160 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** N 161 ASN ** 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** ** Q 32 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 47 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 164 GLN S 256 ASN S 384 HIS T 69 GLN ** V 38 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 91 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BA 125 ASN ** CA 210 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** CA 221 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** CA 276 ASN CA 329 ASN ** CA 470 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 314 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BK 630 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 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** ** 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 Ap 168 ASN Ap 175 HIS Al 219 ASN ** Ab 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Aa 81 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 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 60 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** As 94 ASN Aw 19 ASN BH 136 ASN ** 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** ** Ar 105 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 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 140 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 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 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** BW 295 GLN ** BW 537 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 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: 36 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7491 moved from start: 0.2211 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= 0.457 Angle : 0.784 27.995 200058 Z= 0.398 Chirality : 0.047 1.268 22406 Planarity : 0.006 0.158 23035 Dihedral : 20.629 179.052 30115 Min Nonbonded Distance : 1.362 Molprobity Statistics. All-atom Clashscore : 20.31 Ramachandran Plot: Outliers : 0.20 % Allowed : 13.23 % Favored : 86.57 % Rotamer: Outliers : 8.82 % Allowed : 24.31 % Favored : 66.86 % 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: -3.86 (0.06), residues: 15214 helix: -2.37 (0.06), residues: 5436 sheet: -2.74 (0.14), residues: 1083 loop : -2.75 (0.06), residues: 8695 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.034 0.002 TRPAx 146 HIS 0.020 0.001 HISBX 222 PHE 0.051 0.002 PHEBU 64 TYR 0.032 0.002 TYR G 308 ARG 0.047 0.001 ARGAw 81 *********************** 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 3049 residues out of total 12517 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 1104 poor density : 1945 time to evaluate : 10.990 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: A 165 LYS cc_start: 0.8394 (OUTLIER) cc_final: 0.8071 (pttt) REVERT: A 346 GLU cc_start: 0.6537 (OUTLIER) cc_final: 0.5697 (pm20) REVERT: B 86 MET cc_start: 0.7441 (tpp) cc_final: 0.7135 (tpp) REVERT: B 191 MET cc_start: 0.8361 (tpp) cc_final: 0.7863 (tpt) REVERT: B 352 ILE cc_start: 0.8681 (OUTLIER) cc_final: 0.8421 (mm) REVERT: C 159 GLU cc_start: 0.7529 (OUTLIER) cc_final: 0.7075 (mm-30) REVERT: E 51 HIS cc_start: 0.8145 (OUTLIER) cc_final: 0.7923 (p90) REVERT: E 53 TRP cc_start: 0.6631 (m-10) cc_final: 0.5918 (m-10) REVERT: E 187 MET cc_start: 0.7592 (mmm) cc_final: 0.6829 (mmm) REVERT: E 210 TYR cc_start: 0.5884 (OUTLIER) cc_final: 0.5475 (t80) REVERT: F 32 GLN cc_start: 0.8482 (OUTLIER) cc_final: 0.8272 (tp40) REVERT: F 87 LEU cc_start: 0.8992 (mt) cc_final: 0.8713 (mt) REVERT: G 228 TYR cc_start: 0.7404 (OUTLIER) cc_final: 0.6623 (p90) REVERT: I 117 TYR cc_start: 0.7634 (m-10) cc_final: 0.7139 (m-10) REVERT: I 154 ARG cc_start: 0.7727 (ttp80) cc_final: 0.7389 (ttp80) REVERT: I 174 HIS cc_start: 0.7641 (OUTLIER) cc_final: 0.7403 (m170) REVERT: J 5 GLU cc_start: 0.7440 (OUTLIER) cc_final: 0.7088 (tm-30) REVERT: J 6 ARG cc_start: 0.8337 (OUTLIER) cc_final: 0.7422 (ttt180) REVERT: J 71 ILE cc_start: 0.8344 (OUTLIER) cc_final: 0.8055 (mp) REVERT: K 63 ARG cc_start: 0.8785 (OUTLIER) cc_final: 0.8434 (ptp-110) REVERT: L 44 ARG cc_start: 0.7990 (OUTLIER) cc_final: 0.7332 (ttm170) REVERT: L 101 ARG cc_start: 0.7181 (OUTLIER) cc_final: 0.6912 (ptp90) REVERT: M 210 ASP cc_start: 0.7575 (OUTLIER) cc_final: 0.7212 (m-30) REVERT: N 61 ARG cc_start: 0.6226 (OUTLIER) cc_final: 0.4314 (pmt-80) REVERT: N 75 GLU cc_start: 0.7444 (tp30) cc_final: 0.7232 (tp30) REVERT: O 26 MET cc_start: 0.6741 (tpp) cc_final: 0.6242 (tpp) REVERT: O 77 ASP cc_start: 0.7195 (OUTLIER) cc_final: 0.6942 (m-30) REVERT: O 92 GLU cc_start: 0.6811 (tt0) cc_final: 0.6487 (tt0) REVERT: O 238 LEU cc_start: 0.5503 (OUTLIER) cc_final: 0.4882 (pp) REVERT: Q 21 ARG cc_start: 0.6007 (OUTLIER) cc_final: 0.5381 (mtt-85) REVERT: Q 96 TYR cc_start: 0.7918 (OUTLIER) cc_final: 0.7688 (m-80) REVERT: Q 157 ARG cc_start: 0.8161 (OUTLIER) cc_final: 0.7436 (ttm110) REVERT: Q 206 MET cc_start: 0.4403 (ttm) cc_final: 0.4152 (ttm) REVERT: R 72 GLN cc_start: 0.8826 (OUTLIER) cc_final: 0.8147 (tt0) REVERT: R 243 ILE cc_start: 0.1979 (OUTLIER) cc_final: 0.1309 (mp) REVERT: S 272 GLU cc_start: 0.7639 (mp0) cc_final: 0.7192 (mp0) REVERT: S 377 LYS cc_start: 0.8239 (OUTLIER) cc_final: 0.7977 (mmtm) REVERT: T 55 GLU cc_start: 0.6953 (pt0) cc_final: 0.6668 (pt0) REVERT: T 62 LEU cc_start: 0.8200 (OUTLIER) cc_final: 0.7802 (mt) REVERT: V 38 GLN cc_start: 0.4503 (OUTLIER) cc_final: 0.4252 (tt0) REVERT: V 47 MET cc_start: 0.8813 (mtp) cc_final: 0.8511 (mtp) REVERT: V 142 LYS cc_start: 0.7133 (OUTLIER) cc_final: 0.6610 (mptt) REVERT: Z 49 TRP cc_start: 0.7966 (p90) cc_final: 0.7658 (p90) REVERT: CA 276 ASN cc_start: 0.8417 (OUTLIER) cc_final: 0.7864 (t0) REVERT: CA 285 ILE cc_start: 0.7750 (OUTLIER) cc_final: 0.7472 (mp) REVERT: CA 380 MET cc_start: 0.8837 (tpp) cc_final: 0.7450 (mmm) REVERT: BB 33 ARG cc_start: 0.7910 (OUTLIER) cc_final: 0.7269 (ttp-110) REVERT: BB 37 ARG cc_start: 0.7214 (OUTLIER) cc_final: 0.6769 (mtt-85) REVERT: CB 83 MET cc_start: 0.7483 (OUTLIER) cc_final: 0.7121 (ptp) REVERT: CB 99 TRP cc_start: 0.7466 (t60) cc_final: 0.6983 (t60) REVERT: CB 115 ARG cc_start: 0.4114 (OUTLIER) cc_final: 0.3384 (ppt170) REVERT: BK 238 LEU cc_start: 0.8524 (OUTLIER) cc_final: 0.8219 (mt) REVERT: BK 438 MET cc_start: 0.8851 (OUTLIER) cc_final: 0.7793 (mmm) REVERT: BK 439 ASP cc_start: 0.7269 (OUTLIER) cc_final: 0.6995 (p0) REVERT: BK 631 LEU cc_start: 0.8365 (OUTLIER) cc_final: 0.8047 (tt) REVERT: BK 748 LEU cc_start: 0.8710 (OUTLIER) cc_final: 0.8353 (mp) REVERT: BQ 71 LEU cc_start: 0.8198 (OUTLIER) cc_final: 0.7976 (mt) REVERT: BQ 142 LEU cc_start: 0.8144 (OUTLIER) cc_final: 0.7919 (mm) REVERT: BQ 206 ASP cc_start: 0.5054 (OUTLIER) cc_final: 0.4833 (m-30) REVERT: BQ 354 LEU cc_start: 0.5469 (OUTLIER) cc_final: 0.5152 (tp) REVERT: BN 121 PHE cc_start: 0.8187 (OUTLIER) cc_final: 0.6844 (m-80) REVERT: BN 132 LYS cc_start: 0.7200 (pttp) cc_final: 0.6873 (pttm) REVERT: BN 309 ASP cc_start: 0.7785 (OUTLIER) cc_final: 0.7112 (p0) REVERT: BO 100 ARG cc_start: 0.7692 (tpt-90) cc_final: 0.7436 (tpt90) REVERT: BO 165 ARG cc_start: 0.7434 (ttt-90) cc_final: 0.7132 (ttt90) REVERT: Ae 109 ARG cc_start: 0.8117 (OUTLIER) cc_final: 0.7799 (mtp-110) REVERT: Af 61 VAL cc_start: 0.8349 (OUTLIER) cc_final: 0.8109 (p) REVERT: Af 68 SER cc_start: 0.8457 (p) cc_final: 0.7930 (m) REVERT: Ah 122 TRP cc_start: 0.7890 (m100) cc_final: 0.7547 (m-10) REVERT: Ah 172 LYS cc_start: 0.4403 (tttt) cc_final: 0.4039 (tttt) REVERT: Ah 238 ARG cc_start: 0.3563 (OUTLIER) cc_final: 0.3324 (tmm160) REVERT: Ah 315 LYS cc_start: 0.7411 (mttt) cc_final: 0.7147 (mttm) REVERT: Ah 366 MET cc_start: 0.5982 (ptm) cc_final: 0.5458 (ptm) REVERT: Ah 407 MET cc_start: 0.7139 (mmt) cc_final: 0.6924 (mmt) REVERT: Ah 409 THR cc_start: 0.7794 (OUTLIER) cc_final: 0.7574 (p) REVERT: Ap 196 MET cc_start: 0.7971 (tpt) cc_final: 0.7091 (tpt) REVERT: Ap 222 ARG cc_start: 0.4292 (ttt-90) cc_final: 0.3878 (mmt180) REVERT: Al 87 GLU cc_start: 0.8648 (OUTLIER) cc_final: 0.8136 (pm20) REVERT: Al 267 ASP cc_start: 0.7977 (p0) cc_final: 0.7694 (p0) REVERT: Al 301 ARG cc_start: 0.7751 (ptp90) cc_final: 0.7253 (ptm160) REVERT: Ab 141 GLU cc_start: 0.6632 (mt-10) cc_final: 0.6405 (mt-10) REVERT: Ab 156 GLU cc_start: 0.7315 (mt-10) cc_final: 0.6978 (mt-10) REVERT: Aa 91 LEU cc_start: 0.9129 (OUTLIER) cc_final: 0.8757 (pp) REVERT: BP -2 ILE cc_start: 0.8479 (OUTLIER) cc_final: 0.8179 (tp) REVERT: BP 4 HIS cc_start: 0.8297 (OUTLIER) cc_final: 0.7811 (m-70) REVERT: BP 69 ILE cc_start: 0.9270 (mp) cc_final: 0.9056 (mt) REVERT: Az 85 ASN cc_start: 0.7356 (OUTLIER) cc_final: 0.6955 (p0) REVERT: Az 129 ASP cc_start: 0.7751 (OUTLIER) cc_final: 0.7216 (m-30) REVERT: Am 50 ARG cc_start: 0.8225 (OUTLIER) cc_final: 0.7446 (ptm-80) REVERT: Am 247 GLU cc_start: 0.5753 (OUTLIER) cc_final: 0.5415 (pp20) REVERT: Am 279 GLN cc_start: 0.7852 (OUTLIER) cc_final: 0.7545 (mp-120) REVERT: Am 288 LYS cc_start: 0.7269 (mmtp) cc_final: 0.5584 (ttpt) REVERT: Am 309 MET cc_start: 0.8156 (OUTLIER) cc_final: 0.7946 (mmt) REVERT: BG 1311 LYS cc_start: 0.6644 (mptt) cc_final: 0.6101 (ttmt) REVERT: Ad 77 LEU cc_start: 0.8827 (OUTLIER) cc_final: 0.8571 (mp) REVERT: Aw 31 TYR cc_start: 0.8309 (t80) cc_final: 0.8076 (t80) REVERT: BH 71 GLN cc_start: 0.8374 (mt0) cc_final: 0.8088 (mt0) REVERT: BH 132 HIS cc_start: 0.7722 (OUTLIER) cc_final: 0.7331 (p-80) REVERT: Aj 422 LEU cc_start: 0.8457 (OUTLIER) cc_final: 0.8107 (pp) REVERT: Aj 453 ILE cc_start: 0.7330 (OUTLIER) cc_final: 0.7049 (mt) REVERT: Ar 25 THR cc_start: 0.5698 (t) cc_final: 0.5402 (t) REVERT: Ar 169 LEU cc_start: 0.8769 (OUTLIER) cc_final: 0.8522 (tp) REVERT: Ar 196 ARG cc_start: 0.6916 (OUTLIER) cc_final: 0.6341 (ttt90) REVERT: An 98 ARG cc_start: 0.7010 (OUTLIER) cc_final: 0.6747 (ptt90) REVERT: An 134 PHE cc_start: 0.2604 (OUTLIER) cc_final: 0.2068 (t80) REVERT: An 229 THR cc_start: 0.7720 (t) cc_final: 0.7302 (p) REVERT: BM 43 TYR cc_start: 0.4491 (t80) cc_final: 0.3594 (m-80) REVERT: BM 72 TYR cc_start: 0.6725 (OUTLIER) cc_final: 0.5517 (m-80) REVERT: BM 134 LYS cc_start: 0.7140 (OUTLIER) cc_final: 0.6799 (tmtt) REVERT: BM 216 GLN cc_start: 0.5610 (OUTLIER) cc_final: 0.5345 (pm20) REVERT: BM 261 PHE cc_start: 0.6944 (t80) cc_final: 0.6529 (t80) REVERT: BM 286 TYR cc_start: 0.5947 (OUTLIER) cc_final: 0.4751 (t80) REVERT: BM 290 HIS cc_start: 0.6138 (m-70) cc_final: 0.5490 (m-70) REVERT: BM 326 TYR cc_start: 0.5145 (OUTLIER) cc_final: 0.4823 (t80) REVERT: Ag 75 ARG cc_start: 0.7146 (tpp-160) cc_final: 0.6337 (ttm-80) REVERT: Bl 164 ASP cc_start: 0.6108 (p0) cc_final: 0.5776 (p0) REVERT: Ax 154 HIS cc_start: 0.6693 (OUTLIER) cc_final: 0.6360 (t70) REVERT: Ax 173 ARG cc_start: 0.1762 (mtt180) cc_final: 0.1416 (mmm-85) REVERT: Ax 175 ILE cc_start: 0.6373 (tp) cc_final: 0.6061 (pt) REVERT: Ax 180 ARG cc_start: 0.5700 (mmt-90) cc_final: 0.4688 (ttt90) REVERT: Ax 205 ARG cc_start: 0.3448 (mmm160) cc_final: 0.3140 (ttt180) REVERT: Ax 208 MET cc_start: 0.7301 (ppp) cc_final: 0.6949 (ppp) REVERT: BS 388 ARG cc_start: 0.6985 (tpt170) cc_final: 0.6748 (tpt170) REVERT: BS 408 GLN cc_start: 0.7539 (mt0) cc_final: 0.6458 (pm20) REVERT: BY 130 GLU cc_start: 0.3715 (OUTLIER) cc_final: 0.2840 (tt0) REVERT: BY 191 LEU cc_start: 0.6973 (OUTLIER) cc_final: 0.6198 (tt) REVERT: BY 212 TYR cc_start: 0.5901 (m-80) cc_final: 0.5489 (m-80) REVERT: BX 213 GLN cc_start: 0.7330 (mm110) cc_final: 0.7130 (mp10) REVERT: BX 239 HIS cc_start: 0.5050 (OUTLIER) cc_final: 0.4324 (p90) REVERT: BZ 65 PHE cc_start: 0.7218 (OUTLIER) cc_final: 0.6524 (t80) REVERT: BZ 86 LYS cc_start: 0.8248 (ttpt) cc_final: 0.8012 (tttp) REVERT: BZ 98 ARG cc_start: 0.8247 (OUTLIER) cc_final: 0.7417 (ttm170) REVERT: BZ 107 ARG cc_start: 0.8018 (OUTLIER) cc_final: 0.5528 (mmp-170) REVERT: BZ 194 MET cc_start: 0.6801 (ttp) cc_final: 0.5348 (tpp) REVERT: BZ 301 ASN cc_start: 0.7362 (m-40) cc_final: 0.7112 (m-40) REVERT: CC 71 LYS cc_start: 0.7515 (tmtt) cc_final: 0.6277 (mmpt) REVERT: CC 92 LYS cc_start: 0.5552 (ttpt) cc_final: 0.5100 (mptt) REVERT: CD 37 ASN cc_start: 0.7518 (OUTLIER) cc_final: 0.6665 (m-40) REVERT: CD 79 LEU cc_start: 0.7574 (mt) cc_final: 0.7317 (mt) REVERT: CD 113 LYS cc_start: 0.8686 (tppp) cc_final: 0.8046 (tppp) REVERT: BT 139 TRP cc_start: 0.7281 (m-90) cc_final: 0.6650 (p-90) REVERT: BT 193 ARG cc_start: 0.2760 (OUTLIER) cc_final: 0.2380 (mpt180) REVERT: BT 200 ARG cc_start: 0.4241 (mmm160) cc_final: 0.3581 (ttp-110) REVERT: BT 229 TYR cc_start: 0.7257 (OUTLIER) cc_final: 0.6402 (m-10) REVERT: BU 130 TYR cc_start: 0.7405 (t80) cc_final: 0.7101 (t80) REVERT: BU 175 LYS cc_start: 0.8222 (mttp) cc_final: 0.7934 (tptt) REVERT: BU 185 LEU cc_start: 0.7809 (OUTLIER) cc_final: 0.7593 (tp) REVERT: BU 195 MET cc_start: 0.7870 (tpt) cc_final: 0.7650 (tpt) REVERT: BU 216 MET cc_start: 0.6176 (tmm) cc_final: 0.5730 (tmm) REVERT: BU 253 ARG cc_start: 0.7914 (mmm160) cc_final: 0.7684 (mmm160) REVERT: BU 272 MET cc_start: 0.5200 (mpp) cc_final: 0.4952 (tpp) REVERT: BU 340 GLU cc_start: 0.7201 (mm-30) cc_final: 0.6736 (mm-30) REVERT: BU 447 PHE cc_start: 0.7465 (OUTLIER) cc_final: 0.7117 (m-80) REVERT: BW 108 LYS cc_start: 0.4709 (mmtt) cc_final: 0.3857 (mptt) REVERT: BW 113 ASP cc_start: 0.7777 (OUTLIER) cc_final: 0.6908 (t0) REVERT: BW 169 LEU cc_start: 0.8059 (OUTLIER) cc_final: 0.7678 (tp) REVERT: BW 206 LEU cc_start: 0.9023 (OUTLIER) cc_final: 0.8593 (mp) REVERT: BW 265 GLU cc_start: 0.8095 (OUTLIER) cc_final: 0.7637 (tp30) REVERT: BW 598 ARG cc_start: 0.8687 (OUTLIER) cc_final: 0.8282 (mtp180) REVERT: BW 647 GLU cc_start: 0.6756 (OUTLIER) cc_final: 0.6510 (mp0) REVERT: BW 654 ASN cc_start: 0.5481 (OUTLIER) cc_final: 0.5008 (p0) REVERT: BV 140 ASN cc_start: 0.6557 (OUTLIER) cc_final: 0.5779 (m-40) REVERT: BV 156 TRP cc_start: 0.5503 (OUTLIER) cc_final: 0.5187 (m-10) REVERT: BV 164 ARG cc_start: 0.6028 (mmm-85) cc_final: 0.5564 (mmt180) REVERT: BV 192 TRP cc_start: 0.7754 (t60) cc_final: 0.7309 (t60) REVERT: BV 269 ARG cc_start: 0.3036 (OUTLIER) cc_final: 0.2712 (ttm170) outliers start: 1104 outliers final: 795 residues processed: 2813 average time/residue: 1.1820 time to fit residues: 5789.6835 Evaluate side-chains 2719 residues out of total 12517 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 889 poor density : 1830 time to evaluate : 9.741 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 40 SER Chi-restraints excluded: chain A residue 49 MET Chi-restraints excluded: chain A residue 112 TYR Chi-restraints excluded: chain A residue 140 THR Chi-restraints excluded: chain A residue 145 ASP Chi-restraints excluded: chain A residue 165 LYS Chi-restraints excluded: chain A residue 185 VAL Chi-restraints excluded: chain A residue 214 VAL Chi-restraints excluded: chain A residue 237 VAL Chi-restraints excluded: chain A residue 255 HIS Chi-restraints excluded: chain A residue 257 PHE Chi-restraints excluded: chain A residue 262 VAL Chi-restraints excluded: chain A residue 275 CYS Chi-restraints excluded: chain A residue 316 ILE Chi-restraints excluded: chain A residue 334 ASP Chi-restraints excluded: chain A residue 346 GLU Chi-restraints excluded: chain A residue 350 THR Chi-restraints excluded: chain A residue 355 THR Chi-restraints excluded: chain A residue 365 SER Chi-restraints excluded: chain A residue 381 MET Chi-restraints excluded: chain B residue 9 VAL Chi-restraints excluded: chain B residue 18 VAL Chi-restraints excluded: chain B residue 28 VAL Chi-restraints excluded: chain B residue 42 ASN Chi-restraints excluded: chain B residue 55 SER Chi-restraints excluded: chain B residue 70 LEU Chi-restraints excluded: chain B residue 80 VAL Chi-restraints excluded: chain B residue 85 THR Chi-restraints excluded: chain B residue 94 VAL Chi-restraints excluded: chain B residue 97 LEU Chi-restraints excluded: chain B residue 104 THR Chi-restraints excluded: chain B residue 181 VAL Chi-restraints excluded: chain B residue 203 LEU Chi-restraints excluded: chain B residue 220 THR Chi-restraints excluded: chain B residue 242 HIS Chi-restraints excluded: chain B residue 257 THR Chi-restraints excluded: chain B residue 262 TYR Chi-restraints excluded: chain B residue 263 ASP Chi-restraints excluded: chain B residue 273 ASN Chi-restraints excluded: chain B residue 286 ASP Chi-restraints excluded: chain B residue 287 GLU Chi-restraints excluded: chain B residue 300 THR Chi-restraints excluded: chain B residue 312 ILE Chi-restraints excluded: chain B residue 334 LEU Chi-restraints excluded: chain B residue 337 GLU Chi-restraints excluded: chain B residue 345 LEU Chi-restraints excluded: chain B residue 352 ILE Chi-restraints excluded: chain C residue 18 HIS Chi-restraints excluded: chain C residue 40 THR Chi-restraints excluded: chain C residue 44 ASP Chi-restraints excluded: chain C residue 55 MET Chi-restraints excluded: chain C residue 59 THR Chi-restraints excluded: chain C residue 99 LEU Chi-restraints excluded: chain C residue 115 VAL Chi-restraints excluded: chain C residue 118 LEU Chi-restraints excluded: chain C residue 136 THR Chi-restraints excluded: chain C residue 149 LEU Chi-restraints excluded: chain C residue 151 GLN Chi-restraints excluded: chain C residue 158 THR Chi-restraints excluded: chain C residue 159 GLU Chi-restraints excluded: chain C residue 178 ILE Chi-restraints excluded: chain C residue 181 THR Chi-restraints excluded: chain C residue 192 GLN Chi-restraints excluded: chain C residue 203 ILE Chi-restraints excluded: chain C residue 213 ASP Chi-restraints excluded: chain E residue 24 ASN Chi-restraints excluded: chain E residue 44 PHE Chi-restraints excluded: chain E residue 51 HIS Chi-restraints excluded: chain E residue 64 THR Chi-restraints excluded: chain E residue 102 VAL Chi-restraints excluded: chain E residue 109 ASP Chi-restraints excluded: chain E residue 121 THR Chi-restraints excluded: chain E residue 139 VAL Chi-restraints excluded: chain E residue 180 VAL Chi-restraints excluded: chain E residue 181 VAL Chi-restraints excluded: chain E residue 197 VAL Chi-restraints excluded: chain E residue 210 TYR Chi-restraints excluded: chain E residue 214 SER Chi-restraints excluded: chain F residue 32 GLN Chi-restraints excluded: chain F residue 59 ASP Chi-restraints excluded: chain F residue 76 THR Chi-restraints excluded: chain F residue 104 LYS Chi-restraints excluded: chain F residue 129 GLU Chi-restraints excluded: chain F residue 132 VAL Chi-restraints excluded: chain G residue 34 LEU Chi-restraints excluded: chain G residue 35 ILE Chi-restraints excluded: chain G residue 47 SER Chi-restraints excluded: chain G residue 50 ASP Chi-restraints excluded: chain G residue 68 THR Chi-restraints excluded: chain G residue 71 ASN Chi-restraints excluded: chain G residue 76 THR Chi-restraints excluded: chain G residue 90 ILE Chi-restraints excluded: chain G residue 98 THR Chi-restraints excluded: chain G residue 100 THR Chi-restraints excluded: chain G residue 104 VAL Chi-restraints excluded: chain G residue 108 SER Chi-restraints excluded: chain G residue 113 ILE Chi-restraints excluded: chain G residue 208 ASP Chi-restraints excluded: chain G residue 217 VAL Chi-restraints excluded: chain G residue 226 VAL Chi-restraints excluded: chain G residue 228 TYR Chi-restraints excluded: chain G residue 242 ILE Chi-restraints excluded: chain G residue 262 LEU Chi-restraints excluded: chain G residue 269 GLU Chi-restraints excluded: chain G residue 321 ILE Chi-restraints excluded: chain G residue 322 ARG Chi-restraints excluded: chain I residue 34 THR Chi-restraints excluded: chain I residue 44 LEU Chi-restraints excluded: chain I residue 84 ILE Chi-restraints excluded: chain I residue 109 THR Chi-restraints excluded: chain I residue 174 HIS Chi-restraints excluded: chain I residue 186 PHE Chi-restraints excluded: chain I residue 187 PHE Chi-restraints excluded: chain I residue 227 LEU Chi-restraints excluded: chain I residue 247 ASP Chi-restraints excluded: chain I residue 263 LEU Chi-restraints excluded: chain J residue 5 GLU Chi-restraints excluded: chain J residue 6 ARG Chi-restraints excluded: chain J residue 20 PHE Chi-restraints excluded: chain J residue 37 ILE Chi-restraints excluded: chain J residue 48 THR Chi-restraints excluded: chain J residue 66 ARG Chi-restraints excluded: chain J residue 71 ILE Chi-restraints excluded: chain J residue 73 THR Chi-restraints excluded: chain J residue 82 THR Chi-restraints excluded: chain J residue 84 ILE Chi-restraints excluded: chain J residue 88 LEU Chi-restraints excluded: chain J residue 90 VAL Chi-restraints excluded: chain J residue 114 VAL Chi-restraints excluded: chain J residue 115 THR Chi-restraints excluded: chain K residue 14 THR Chi-restraints excluded: chain K residue 40 THR Chi-restraints excluded: chain K residue 51 VAL Chi-restraints excluded: chain K residue 63 ARG Chi-restraints excluded: chain K residue 126 THR Chi-restraints excluded: chain K residue 132 GLU Chi-restraints excluded: chain K residue 162 THR Chi-restraints excluded: chain K residue 175 THR Chi-restraints excluded: chain K residue 180 MET Chi-restraints excluded: chain L residue 38 ASP Chi-restraints excluded: chain L residue 39 VAL Chi-restraints excluded: chain L residue 42 VAL Chi-restraints excluded: chain L residue 44 ARG Chi-restraints excluded: chain L residue 53 ILE Chi-restraints excluded: chain L residue 77 VAL Chi-restraints excluded: chain L residue 79 VAL Chi-restraints excluded: chain L residue 91 ASN Chi-restraints excluded: chain L residue 92 VAL Chi-restraints excluded: chain L residue 93 VAL Chi-restraints excluded: chain L residue 98 THR Chi-restraints excluded: chain L residue 101 ARG Chi-restraints excluded: chain L residue 118 ILE Chi-restraints excluded: chain L residue 127 VAL Chi-restraints excluded: chain L residue 128 VAL Chi-restraints excluded: chain L residue 149 ASN Chi-restraints excluded: chain L residue 151 VAL Chi-restraints excluded: chain L residue 160 LEU Chi-restraints excluded: chain L residue 173 SER Chi-restraints excluded: chain M residue 45 THR Chi-restraints excluded: chain M residue 57 THR Chi-restraints excluded: chain M residue 62 LEU Chi-restraints excluded: chain M residue 63 ASP Chi-restraints excluded: chain M residue 65 THR Chi-restraints excluded: chain M residue 73 THR Chi-restraints excluded: chain M residue 88 ASN Chi-restraints excluded: chain M residue 105 VAL Chi-restraints excluded: chain M residue 109 VAL Chi-restraints excluded: chain M residue 152 VAL Chi-restraints excluded: chain M residue 174 MET Chi-restraints excluded: chain M residue 210 ASP Chi-restraints excluded: chain M residue 241 MET Chi-restraints excluded: chain M residue 247 THR Chi-restraints excluded: chain M residue 249 ILE Chi-restraints excluded: chain M residue 256 THR Chi-restraints excluded: chain N residue 52 LEU Chi-restraints excluded: chain N residue 55 GLN Chi-restraints excluded: chain N residue 61 ARG Chi-restraints excluded: chain N residue 72 THR Chi-restraints excluded: chain N residue 73 THR Chi-restraints excluded: chain N residue 105 ILE Chi-restraints excluded: chain N residue 123 HIS Chi-restraints excluded: chain N residue 149 VAL Chi-restraints excluded: chain N residue 153 LEU Chi-restraints excluded: chain N residue 154 VAL Chi-restraints excluded: chain N residue 155 LEU Chi-restraints excluded: chain N residue 161 ASN Chi-restraints excluded: chain N residue 164 THR Chi-restraints excluded: chain N residue 186 ILE Chi-restraints excluded: chain N residue 190 ASP Chi-restraints excluded: chain N residue 212 ILE Chi-restraints excluded: chain N residue 223 VAL Chi-restraints excluded: chain O residue 56 LEU Chi-restraints excluded: chain O residue 67 ILE Chi-restraints excluded: chain O residue 77 ASP Chi-restraints excluded: chain O residue 87 ILE Chi-restraints excluded: chain O residue 100 THR Chi-restraints excluded: chain O residue 196 SER Chi-restraints excluded: chain O residue 197 VAL Chi-restraints excluded: chain O residue 218 VAL Chi-restraints excluded: chain O residue 238 LEU Chi-restraints excluded: chain O residue 290 ASP Chi-restraints excluded: chain Q residue 11 SER Chi-restraints excluded: chain Q residue 21 ARG Chi-restraints excluded: chain Q residue 49 VAL Chi-restraints excluded: chain Q residue 84 GLU Chi-restraints excluded: chain Q residue 92 VAL Chi-restraints excluded: chain Q residue 96 TYR Chi-restraints excluded: chain Q residue 114 LEU Chi-restraints excluded: chain Q residue 157 ARG Chi-restraints excluded: chain Q residue 161 LEU Chi-restraints excluded: chain Q residue 196 GLU Chi-restraints excluded: chain Q residue 219 VAL Chi-restraints excluded: chain R residue 17 VAL Chi-restraints excluded: chain R residue 50 ILE Chi-restraints excluded: chain R residue 57 GLU Chi-restraints excluded: chain R residue 62 SER Chi-restraints excluded: chain R residue 72 GLN Chi-restraints excluded: chain R residue 138 THR Chi-restraints excluded: chain R residue 149 VAL Chi-restraints excluded: chain R residue 150 ASP Chi-restraints excluded: chain R residue 158 LEU Chi-restraints excluded: chain R residue 163 VAL Chi-restraints excluded: chain R residue 211 SER Chi-restraints excluded: chain R residue 213 THR Chi-restraints excluded: chain R residue 235 SER Chi-restraints excluded: chain R residue 237 HIS Chi-restraints excluded: chain R residue 243 ILE Chi-restraints excluded: chain R residue 256 HIS Chi-restraints excluded: chain R residue 258 VAL Chi-restraints excluded: chain R residue 283 ILE Chi-restraints excluded: chain R residue 296 ILE Chi-restraints excluded: chain R residue 305 THR Chi-restraints excluded: chain R residue 307 THR Chi-restraints excluded: chain R residue 321 VAL Chi-restraints excluded: chain R residue 332 VAL Chi-restraints excluded: chain R residue 353 ILE Chi-restraints excluded: chain R residue 393 LEU Chi-restraints excluded: chain R residue 474 GLU Chi-restraints excluded: chain R residue 475 VAL Chi-restraints excluded: chain S residue 262 CYS Chi-restraints excluded: chain S residue 267 PHE Chi-restraints excluded: chain S residue 290 VAL Chi-restraints excluded: chain S residue 324 ILE Chi-restraints excluded: chain S residue 337 ILE Chi-restraints excluded: chain S residue 347 VAL Chi-restraints excluded: chain S residue 349 ASN Chi-restraints excluded: chain S residue 373 ASP Chi-restraints excluded: chain S residue 377 LYS Chi-restraints excluded: chain S residue 384 HIS Chi-restraints excluded: chain S residue 385 HIS Chi-restraints excluded: chain T residue 34 ASN Chi-restraints excluded: chain T residue 52 LEU Chi-restraints excluded: chain T residue 62 LEU Chi-restraints excluded: chain T residue 65 GLU Chi-restraints excluded: chain T residue 78 CYS Chi-restraints excluded: chain V residue 18 THR Chi-restraints excluded: chain V residue 38 GLN Chi-restraints excluded: chain V residue 54 VAL Chi-restraints excluded: chain V residue 72 ASP Chi-restraints excluded: chain V residue 73 VAL Chi-restraints excluded: chain V residue 127 GLU Chi-restraints excluded: chain V residue 142 LYS Chi-restraints excluded: chain V residue 150 VAL Chi-restraints excluded: chain Z residue 55 HIS Chi-restraints excluded: chain Z residue 80 ARG Chi-restraints excluded: chain Z residue 84 SER Chi-restraints excluded: chain Z residue 89 VAL Chi-restraints excluded: chain Z residue 97 VAL Chi-restraints excluded: chain Z residue 116 SER Chi-restraints excluded: chain Z residue 131 TRP Chi-restraints excluded: chain Z residue 149 ASP Chi-restraints excluded: chain Z residue 157 VAL Chi-restraints excluded: chain BA residue 68 VAL Chi-restraints excluded: chain BA residue 90 LEU Chi-restraints excluded: chain BA residue 112 GLU Chi-restraints excluded: chain BA residue 115 VAL Chi-restraints excluded: chain BA residue 138 VAL Chi-restraints excluded: chain BA residue 142 SER Chi-restraints excluded: chain BA residue 147 SER Chi-restraints excluded: chain CA residue 88 GLU Chi-restraints excluded: chain CA residue 110 SER Chi-restraints excluded: chain CA residue 118 GLU Chi-restraints excluded: chain CA residue 137 SER Chi-restraints excluded: chain CA residue 154 LEU Chi-restraints excluded: chain CA residue 166 LEU Chi-restraints excluded: chain CA residue 193 SER Chi-restraints excluded: chain CA residue 194 PHE Chi-restraints excluded: chain CA residue 198 THR Chi-restraints excluded: chain CA residue 207 THR Chi-restraints excluded: chain CA residue 223 LEU Chi-restraints excluded: chain CA residue 227 ASP Chi-restraints excluded: chain CA residue 241 VAL Chi-restraints excluded: chain CA residue 251 LEU Chi-restraints excluded: chain CA residue 275 ILE Chi-restraints excluded: chain CA residue 276 ASN Chi-restraints excluded: chain CA residue 285 ILE Chi-restraints excluded: chain CA residue 291 PHE Chi-restraints excluded: chain CA residue 303 HIS Chi-restraints excluded: chain CA residue 312 THR Chi-restraints excluded: chain CA residue 334 THR Chi-restraints excluded: chain CA residue 345 VAL Chi-restraints excluded: chain CA residue 355 THR Chi-restraints excluded: chain CA residue 416 ARG Chi-restraints excluded: chain CA residue 425 ARG Chi-restraints excluded: chain CA residue 426 ILE Chi-restraints excluded: chain CA residue 437 VAL Chi-restraints excluded: chain CA residue 444 SER Chi-restraints excluded: chain CA residue 446 TYR Chi-restraints excluded: chain CA residue 453 LEU Chi-restraints excluded: chain CA residue 470 HIS Chi-restraints excluded: chain CA residue 471 SER Chi-restraints excluded: chain CA residue 477 PHE Chi-restraints excluded: chain CA residue 478 THR Chi-restraints excluded: chain CA residue 503 THR Chi-restraints excluded: chain CA residue 536 PHE Chi-restraints excluded: chain CA residue 544 THR Chi-restraints excluded: chain CA residue 549 LEU Chi-restraints excluded: chain BB residue 19 VAL Chi-restraints excluded: chain BB residue 25 LEU Chi-restraints excluded: chain BB residue 33 ARG Chi-restraints excluded: chain BB residue 37 ARG Chi-restraints excluded: chain BB residue 85 ASP Chi-restraints excluded: chain BB residue 94 LEU Chi-restraints excluded: chain BB residue 102 ILE Chi-restraints excluded: chain CB residue 53 VAL Chi-restraints excluded: chain CB residue 75 GLU Chi-restraints excluded: chain CB residue 83 MET Chi-restraints excluded: chain CB residue 110 ILE Chi-restraints excluded: chain CB residue 114 LYS Chi-restraints excluded: chain CB residue 115 ARG Chi-restraints excluded: chain CB residue 132 VAL Chi-restraints excluded: chain CB residue 165 ILE Chi-restraints excluded: chain CB residue 180 THR Chi-restraints excluded: chain BK residue 164 HIS Chi-restraints excluded: chain BK residue 203 THR Chi-restraints excluded: chain BK residue 212 LEU Chi-restraints excluded: chain BK residue 228 ASN Chi-restraints excluded: chain BK residue 233 ILE Chi-restraints excluded: chain BK residue 238 LEU Chi-restraints excluded: chain BK residue 243 SER Chi-restraints excluded: chain BK residue 258 VAL Chi-restraints excluded: chain BK residue 289 LEU Chi-restraints excluded: chain BK residue 300 THR Chi-restraints excluded: chain BK residue 301 LEU Chi-restraints excluded: chain BK residue 304 ASN Chi-restraints excluded: chain BK residue 318 VAL Chi-restraints excluded: chain BK residue 325 VAL Chi-restraints excluded: chain BK residue 383 VAL Chi-restraints excluded: chain BK residue 393 ASP Chi-restraints excluded: chain BK residue 415 VAL Chi-restraints excluded: chain BK residue 426 VAL Chi-restraints excluded: chain BK residue 428 LEU Chi-restraints excluded: chain BK residue 438 MET Chi-restraints excluded: chain BK residue 439 ASP Chi-restraints excluded: chain BK residue 454 LEU Chi-restraints excluded: chain BK residue 466 LEU Chi-restraints excluded: chain BK residue 469 LEU Chi-restraints excluded: chain BK residue 475 ASP Chi-restraints excluded: chain BK residue 527 VAL Chi-restraints excluded: chain BK residue 529 HIS Chi-restraints excluded: chain BK residue 547 SER Chi-restraints excluded: chain BK residue 571 ASP Chi-restraints excluded: chain BK residue 589 THR Chi-restraints excluded: chain BK residue 595 LEU Chi-restraints excluded: chain BK residue 598 THR Chi-restraints excluded: chain BK residue 601 VAL Chi-restraints excluded: chain BK residue 612 TYR Chi-restraints excluded: chain BK residue 627 LEU Chi-restraints excluded: chain BK residue 628 VAL Chi-restraints excluded: chain BK residue 631 LEU Chi-restraints excluded: chain BK residue 637 VAL Chi-restraints excluded: chain BK residue 642 LEU Chi-restraints excluded: chain BK residue 667 ASP Chi-restraints excluded: chain BK residue 688 THR Chi-restraints excluded: chain BK residue 727 THR Chi-restraints excluded: chain BK residue 748 LEU Chi-restraints excluded: chain BK residue 749 VAL Chi-restraints excluded: chain BK residue 778 THR Chi-restraints excluded: chain BK residue 785 SER Chi-restraints excluded: chain BK residue 789 LEU Chi-restraints excluded: chain BK residue 794 SER Chi-restraints excluded: chain BK residue 875 THR Chi-restraints excluded: chain BQ residue 15 SER Chi-restraints excluded: chain BQ residue 32 MET Chi-restraints excluded: chain BQ residue 71 LEU Chi-restraints excluded: chain BQ residue 117 ASN Chi-restraints excluded: chain BQ residue 124 ILE Chi-restraints excluded: chain BQ residue 128 VAL Chi-restraints excluded: chain BQ residue 142 LEU Chi-restraints excluded: chain BQ residue 144 VAL Chi-restraints excluded: chain BQ residue 146 VAL Chi-restraints excluded: chain BQ residue 183 HIS Chi-restraints excluded: chain BQ residue 206 ASP Chi-restraints excluded: chain BQ residue 253 LYS Chi-restraints excluded: chain BQ residue 284 SER Chi-restraints excluded: chain BQ residue 289 LEU Chi-restraints excluded: chain BQ residue 354 LEU Chi-restraints excluded: chain BQ residue 379 VAL Chi-restraints excluded: chain BQ residue 381 SER Chi-restraints excluded: chain BQ residue 425 VAL Chi-restraints excluded: chain BQ residue 428 ARG Chi-restraints excluded: chain BQ residue 438 THR Chi-restraints excluded: chain BN residue 101 ILE Chi-restraints excluded: chain BN residue 117 CYS Chi-restraints excluded: chain BN residue 121 PHE Chi-restraints excluded: chain BN residue 128 VAL Chi-restraints excluded: chain BN residue 150 VAL Chi-restraints excluded: chain BN residue 151 GLU Chi-restraints excluded: chain BN residue 163 LEU Chi-restraints excluded: chain BN residue 168 THR Chi-restraints excluded: chain BN residue 171 SER Chi-restraints excluded: chain BN residue 212 HIS Chi-restraints excluded: chain BN residue 222 ASP Chi-restraints excluded: chain BN residue 298 ILE Chi-restraints excluded: chain BN residue 309 ASP Chi-restraints excluded: chain BE residue 102 VAL Chi-restraints excluded: chain BE residue 116 LEU Chi-restraints excluded: chain BO residue 63 GLN Chi-restraints excluded: chain BO residue 64 VAL Chi-restraints excluded: chain BO residue 70 ASP Chi-restraints excluded: chain BO residue 72 THR Chi-restraints excluded: chain BO residue 75 LYS Chi-restraints excluded: chain BO residue 79 LEU Chi-restraints excluded: chain BO residue 90 HIS Chi-restraints excluded: chain BO residue 93 VAL Chi-restraints excluded: chain BO residue 132 THR Chi-restraints excluded: chain BO residue 136 THR Chi-restraints excluded: chain BO residue 138 THR Chi-restraints excluded: chain BO residue 150 ASN Chi-restraints excluded: chain BO residue 154 ILE Chi-restraints excluded: chain BO residue 162 LEU Chi-restraints excluded: chain BO residue 180 LEU Chi-restraints excluded: chain At residue 25 ASP Chi-restraints excluded: chain At residue 27 VAL Chi-restraints excluded: chain At residue 53 THR Chi-restraints excluded: chain At residue 63 THR Chi-restraints excluded: chain At residue 97 THR Chi-restraints excluded: chain At residue 131 ARG Chi-restraints excluded: chain At residue 168 SER Chi-restraints excluded: chain At residue 172 THR Chi-restraints excluded: chain Au residue 112 MET Chi-restraints excluded: chain Au residue 118 VAL Chi-restraints excluded: chain Au residue 129 ASP Chi-restraints excluded: chain Au residue 134 MET Chi-restraints excluded: chain Au residue 141 VAL Chi-restraints excluded: chain Au residue 165 LYS Chi-restraints excluded: chain Au residue 169 VAL Chi-restraints excluded: chain Au residue 171 SER Chi-restraints excluded: chain Ae residue 16 LEU Chi-restraints excluded: chain Ae residue 25 LEU Chi-restraints excluded: chain Ae residue 67 ARG Chi-restraints excluded: chain Ae residue 96 GLU Chi-restraints excluded: chain Ae residue 100 LEU Chi-restraints excluded: chain Ae residue 109 ARG Chi-restraints excluded: chain Ae residue 127 VAL Chi-restraints excluded: chain Ae residue 135 LEU Chi-restraints excluded: chain Ae residue 155 THR Chi-restraints excluded: chain Ae residue 179 GLU Chi-restraints excluded: chain Ae residue 182 THR Chi-restraints excluded: chain Ae residue 184 THR Chi-restraints excluded: chain Ae residue 254 ASP Chi-restraints excluded: chain Ae residue 255 LEU Chi-restraints excluded: chain Ae residue 276 VAL Chi-restraints excluded: chain Ae residue 278 ASN Chi-restraints excluded: chain Af residue 61 VAL Chi-restraints excluded: chain Af residue 74 ASP Chi-restraints excluded: chain Af residue 79 SER Chi-restraints excluded: chain Af residue 94 VAL Chi-restraints excluded: chain Af residue 116 VAL Chi-restraints excluded: chain Af residue 141 SER Chi-restraints excluded: chain Af residue 143 ASP Chi-restraints excluded: chain Af residue 144 THR Chi-restraints excluded: chain Af residue 153 SER Chi-restraints excluded: chain Ah residue 47 ILE Chi-restraints excluded: chain Ah residue 57 VAL Chi-restraints excluded: chain Ah residue 139 THR Chi-restraints excluded: chain Ah residue 146 MET Chi-restraints excluded: chain Ah residue 192 VAL Chi-restraints excluded: chain Ah residue 196 VAL Chi-restraints excluded: chain Ah residue 219 LEU Chi-restraints excluded: chain Ah residue 238 ARG Chi-restraints excluded: chain Ah residue 242 LEU Chi-restraints excluded: chain Ah residue 251 VAL Chi-restraints excluded: chain Ah residue 256 VAL Chi-restraints excluded: chain Ah residue 264 LEU Chi-restraints excluded: chain Ah residue 271 GLN Chi-restraints excluded: chain Ah residue 280 ILE Chi-restraints excluded: chain Ah residue 311 VAL Chi-restraints excluded: chain Ah residue 332 LEU Chi-restraints excluded: chain Ah residue 336 ASP Chi-restraints excluded: chain Ah residue 337 VAL Chi-restraints excluded: chain Ah residue 369 VAL Chi-restraints excluded: chain Ah residue 404 HIS Chi-restraints excluded: chain Ah residue 409 THR Chi-restraints excluded: chain Ah residue 454 ASP Chi-restraints excluded: chain Ah residue 458 VAL Chi-restraints excluded: chain Ap residue 13 VAL Chi-restraints excluded: chain Ap residue 15 THR Chi-restraints excluded: chain Ap residue 22 ASN Chi-restraints excluded: chain Ap residue 49 LYS Chi-restraints excluded: chain Ap residue 51 VAL Chi-restraints excluded: chain Ap residue 65 SER Chi-restraints excluded: chain Ap residue 70 ASN Chi-restraints excluded: chain Ap residue 136 VAL Chi-restraints excluded: chain Ap residue 155 THR Chi-restraints excluded: chain Ap residue 157 THR Chi-restraints excluded: chain Ap residue 170 ASP Chi-restraints excluded: chain Ap residue 178 LEU Chi-restraints excluded: chain Ap residue 186 THR Chi-restraints excluded: chain Ap residue 200 TYR Chi-restraints excluded: chain Ap residue 207 ASN Chi-restraints excluded: chain Ap residue 211 ASN Chi-restraints excluded: chain Al residue 82 THR Chi-restraints excluded: chain Al residue 85 GLU Chi-restraints excluded: chain Al residue 87 GLU Chi-restraints excluded: chain Al residue 98 GLN Chi-restraints excluded: chain Al residue 106 VAL Chi-restraints excluded: chain Al residue 114 LEU Chi-restraints excluded: chain Al residue 116 ASN Chi-restraints excluded: chain Al residue 129 VAL Chi-restraints excluded: chain Al residue 132 SER Chi-restraints excluded: chain Al residue 150 VAL Chi-restraints excluded: chain Al residue 159 THR Chi-restraints excluded: chain Al residue 178 THR Chi-restraints excluded: chain Al residue 180 TRP Chi-restraints excluded: chain Al residue 187 ASP Chi-restraints excluded: chain Al residue 192 LEU Chi-restraints excluded: chain Al residue 193 ILE Chi-restraints excluded: chain Al residue 202 THR Chi-restraints excluded: chain Al residue 237 GLU Chi-restraints excluded: chain Al residue 240 LEU Chi-restraints excluded: chain Al residue 245 VAL Chi-restraints excluded: chain Al residue 257 GLU Chi-restraints excluded: chain Al residue 264 VAL Chi-restraints excluded: chain Al residue 298 ASN Chi-restraints excluded: chain Ab residue 8 CYS Chi-restraints excluded: chain Ab residue 20 LYS Chi-restraints excluded: chain Ab residue 47 ILE Chi-restraints excluded: chain Ab residue 55 SER Chi-restraints excluded: chain Ab residue 57 ILE Chi-restraints excluded: chain Ab residue 83 PHE Chi-restraints excluded: chain Ab residue 138 THR Chi-restraints excluded: chain Aa residue 48 VAL Chi-restraints excluded: chain Aa residue 85 SER Chi-restraints excluded: chain Aa residue 88 THR Chi-restraints excluded: chain Aa residue 91 LEU Chi-restraints excluded: chain Aa residue 96 ARG Chi-restraints excluded: chain Aa residue 102 ASP Chi-restraints excluded: chain Aa residue 105 VAL Chi-restraints excluded: chain Aa residue 155 THR Chi-restraints excluded: chain Aa residue 169 ILE Chi-restraints excluded: chain BP residue -37 THR Chi-restraints excluded: chain BP residue -33 SER Chi-restraints excluded: chain BP residue -4 THR Chi-restraints excluded: chain BP residue -3 HIS Chi-restraints excluded: chain BP residue -2 ILE Chi-restraints excluded: chain BP residue 4 HIS Chi-restraints excluded: chain BP residue 10 TYR Chi-restraints excluded: chain BP residue 17 ARG Chi-restraints excluded: chain BP residue 32 ILE Chi-restraints excluded: chain BP residue 35 LYS Chi-restraints excluded: chain BP residue 72 THR Chi-restraints excluded: chain Az residue 27 LYS Chi-restraints excluded: chain Az residue 74 ASN Chi-restraints excluded: chain Az residue 85 ASN Chi-restraints excluded: chain Az residue 86 ILE Chi-restraints excluded: chain Az residue 94 ASP Chi-restraints excluded: chain Az residue 113 VAL Chi-restraints excluded: chain Az residue 129 ASP Chi-restraints excluded: chain Az residue 139 SER Chi-restraints excluded: chain Am residue 50 ARG Chi-restraints excluded: chain Am residue 80 ASP Chi-restraints excluded: chain Am residue 140 TYR Chi-restraints excluded: chain Am residue 183 VAL Chi-restraints excluded: chain Am residue 212 MET Chi-restraints excluded: chain Am residue 218 MET Chi-restraints excluded: chain Am residue 230 ASP Chi-restraints excluded: chain Am residue 247 GLU Chi-restraints excluded: chain Am residue 270 ILE Chi-restraints excluded: chain Am residue 274 ASP Chi-restraints excluded: chain Am residue 279 GLN Chi-restraints excluded: chain Am residue 309 MET Chi-restraints excluded: chain Am residue 325 PHE Chi-restraints excluded: chain As residue 71 THR Chi-restraints excluded: chain As residue 86 THR Chi-restraints excluded: chain As residue 123 VAL Chi-restraints excluded: chain As residue 124 VAL Chi-restraints excluded: chain As residue 153 LEU Chi-restraints excluded: chain As residue 182 THR Chi-restraints excluded: chain As residue 186 LEU Chi-restraints excluded: chain BG residue 1273 SER Chi-restraints excluded: chain BG residue 1277 THR Chi-restraints excluded: chain BG residue 1282 THR Chi-restraints excluded: chain BG residue 1287 CYS Chi-restraints excluded: chain BG residue 1295 THR Chi-restraints excluded: chain BG residue 1314 ASP Chi-restraints excluded: chain BG residue 1315 THR Chi-restraints excluded: chain Ad residue 24 TYR Chi-restraints excluded: chain Ad residue 41 LEU Chi-restraints excluded: chain Ad residue 46 ILE Chi-restraints excluded: chain Ad residue 52 THR Chi-restraints excluded: chain Ad residue 77 LEU Chi-restraints excluded: chain Ad residue 138 VAL Chi-restraints excluded: chain Ad residue 153 ILE Chi-restraints excluded: chain Aw residue 6 VAL Chi-restraints excluded: chain Aw residue 53 VAL Chi-restraints excluded: chain Aw residue 55 ASP Chi-restraints excluded: chain Aw residue 159 VAL Chi-restraints excluded: chain BH residue 28 VAL Chi-restraints excluded: chain BH residue 127 THR Chi-restraints excluded: chain BH residue 132 HIS Chi-restraints excluded: chain BH residue 157 VAL Chi-restraints excluded: chain BH residue 159 VAL Chi-restraints excluded: chain Aj residue 259 THR Chi-restraints excluded: chain Aj residue 275 MET Chi-restraints excluded: chain Aj residue 309 VAL Chi-restraints excluded: chain Aj residue 330 LEU Chi-restraints excluded: chain Aj residue 359 VAL Chi-restraints excluded: chain Aj residue 373 PHE Chi-restraints excluded: chain Aj residue 383 VAL Chi-restraints excluded: chain Aj residue 386 VAL Chi-restraints excluded: chain Aj residue 421 VAL Chi-restraints excluded: chain Aj residue 422 LEU Chi-restraints excluded: chain Aj residue 453 ILE Chi-restraints excluded: chain Aj residue 463 VAL Chi-restraints excluded: chain Aj residue 467 VAL Chi-restraints excluded: chain Aj residue 470 MET Chi-restraints excluded: chain Aj residue 481 SER Chi-restraints excluded: chain Aj residue 490 LYS Chi-restraints excluded: chain Ar residue 20 ILE Chi-restraints excluded: chain Ar residue 23 ILE Chi-restraints excluded: chain Ar residue 39 GLU Chi-restraints excluded: chain Ar residue 42 ILE Chi-restraints excluded: chain Ar residue 73 ASP Chi-restraints excluded: chain Ar residue 74 SER Chi-restraints excluded: chain Ar residue 77 TYR Chi-restraints excluded: chain Ar residue 88 LEU Chi-restraints excluded: chain Ar residue 106 THR Chi-restraints excluded: chain Ar residue 118 GLN Chi-restraints excluded: chain Ar residue 169 LEU Chi-restraints excluded: chain Ar residue 186 ASN Chi-restraints excluded: chain Ar residue 196 ARG Chi-restraints excluded: chain An residue 98 ARG Chi-restraints excluded: chain An residue 113 VAL Chi-restraints excluded: chain An residue 134 PHE Chi-restraints excluded: chain An residue 143 GLU Chi-restraints excluded: chain An residue 167 VAL Chi-restraints excluded: chain An residue 189 VAL Chi-restraints excluded: chain An residue 196 LEU Chi-restraints excluded: chain An residue 214 VAL Chi-restraints excluded: chain An residue 265 ASP Chi-restraints excluded: chain An residue 274 GLU Chi-restraints excluded: chain Av residue 90 ILE Chi-restraints excluded: chain Av residue 96 ASP Chi-restraints excluded: chain Av residue 111 ASN Chi-restraints excluded: chain BM residue 3 VAL Chi-restraints excluded: chain BM residue 28 VAL Chi-restraints excluded: chain BM residue 65 ASP Chi-restraints excluded: chain BM residue 72 TYR Chi-restraints excluded: chain BM residue 107 LEU Chi-restraints excluded: chain BM residue 109 THR Chi-restraints excluded: chain BM residue 122 LEU Chi-restraints excluded: chain BM residue 129 LEU Chi-restraints excluded: chain BM residue 134 LYS Chi-restraints excluded: chain BM residue 138 VAL Chi-restraints excluded: chain BM residue 192 LEU Chi-restraints excluded: chain BM residue 216 GLN Chi-restraints excluded: chain BM residue 233 VAL Chi-restraints excluded: chain BM residue 241 VAL Chi-restraints excluded: chain BM residue 245 TYR Chi-restraints excluded: chain BM residue 252 VAL Chi-restraints excluded: chain BM residue 266 TRP Chi-restraints excluded: chain BM residue 286 TYR Chi-restraints excluded: chain BM residue 305 ASP Chi-restraints excluded: chain BM residue 308 THR Chi-restraints excluded: chain BM residue 311 CYS Chi-restraints excluded: chain BM residue 326 TYR Chi-restraints excluded: chain BM residue 327 LEU Chi-restraints excluded: chain BM residue 329 THR Chi-restraints excluded: chain BM residue 333 ILE Chi-restraints excluded: chain BM residue 343 VAL Chi-restraints excluded: chain BM residue 349 LEU Chi-restraints excluded: chain BM residue 361 LEU Chi-restraints excluded: chain Ag residue 50 SER Chi-restraints excluded: chain Ag residue 79 SER Chi-restraints excluded: chain Ag residue 98 ASP Chi-restraints excluded: chain Ag residue 99 VAL Chi-restraints excluded: chain Ag residue 110 SER Chi-restraints excluded: chain Bl residue 104 ARG Chi-restraints excluded: chain Bl residue 131 ILE Chi-restraints excluded: chain Bl residue 154 VAL Chi-restraints excluded: chain Bl residue 160 VAL Chi-restraints excluded: chain Bl residue 166 VAL Chi-restraints excluded: chain Bl residue 176 ILE Chi-restraints excluded: chain Bl residue 186 GLU Chi-restraints excluded: chain Bl residue 193 ASP Chi-restraints excluded: chain Bl residue 207 LEU Chi-restraints excluded: chain Ax residue 55 VAL Chi-restraints excluded: chain Ax residue 57 THR Chi-restraints excluded: chain Ax residue 59 HIS Chi-restraints excluded: chain Ax residue 94 ASP Chi-restraints excluded: chain Ax residue 112 ILE Chi-restraints excluded: chain Ax residue 154 HIS Chi-restraints excluded: chain Ax residue 168 SER Chi-restraints excluded: chain Ax residue 169 CYS Chi-restraints excluded: chain BS residue 299 VAL Chi-restraints excluded: chain BS residue 303 ILE Chi-restraints excluded: chain BS residue 320 VAL Chi-restraints excluded: chain BS residue 359 SER Chi-restraints excluded: chain BS residue 380 TYR Chi-restraints excluded: chain BY residue 129 VAL Chi-restraints excluded: chain BY residue 130 GLU Chi-restraints excluded: chain BY residue 139 LEU Chi-restraints excluded: chain BY residue 145 THR Chi-restraints excluded: chain BY residue 156 VAL Chi-restraints excluded: chain BY residue 158 VAL Chi-restraints excluded: chain BY residue 191 LEU Chi-restraints excluded: chain BY residue 201 VAL Chi-restraints excluded: chain BY residue 217 ILE Chi-restraints excluded: chain BY residue 225 ASP Chi-restraints excluded: chain BY residue 306 VAL Chi-restraints excluded: chain BY residue 351 PHE Chi-restraints excluded: chain BX residue 78 VAL Chi-restraints excluded: chain BX residue 80 ASP Chi-restraints excluded: chain BX residue 82 VAL Chi-restraints excluded: chain BX residue 113 MET Chi-restraints excluded: chain BX residue 145 THR Chi-restraints excluded: chain BX residue 147 VAL Chi-restraints excluded: chain BX residue 150 VAL Chi-restraints excluded: chain BX residue 159 THR Chi-restraints excluded: chain BX residue 163 ASP Chi-restraints excluded: chain BX residue 193 LEU Chi-restraints excluded: chain BX residue 215 ASP Chi-restraints excluded: chain BX residue 239 HIS Chi-restraints excluded: chain BX residue 242 THR Chi-restraints excluded: chain BX residue 248 THR Chi-restraints excluded: chain BX residue 260 LEU Chi-restraints excluded: chain BX residue 264 ILE Chi-restraints excluded: chain BX residue 270 LEU Chi-restraints excluded: chain BX residue 273 LEU Chi-restraints excluded: chain BX residue 274 CYS Chi-restraints excluded: chain BX residue 295 PHE Chi-restraints excluded: chain BX residue 317 VAL Chi-restraints excluded: chain BX residue 341 SER Chi-restraints excluded: chain BX residue 347 LEU Chi-restraints excluded: chain BZ residue 61 THR Chi-restraints excluded: chain BZ residue 65 PHE Chi-restraints excluded: chain BZ residue 80 TRP Chi-restraints excluded: chain BZ residue 81 ASP Chi-restraints excluded: chain BZ residue 97 TYR Chi-restraints excluded: chain BZ residue 98 ARG Chi-restraints excluded: chain BZ residue 100 ASN Chi-restraints excluded: chain BZ residue 107 ARG Chi-restraints excluded: chain BZ residue 109 THR Chi-restraints excluded: chain BZ residue 115 ASP Chi-restraints excluded: chain BZ residue 118 VAL Chi-restraints excluded: chain BZ residue 120 VAL Chi-restraints excluded: chain BZ residue 125 PHE Chi-restraints excluded: chain BZ residue 183 VAL Chi-restraints excluded: chain BZ residue 189 HIS Chi-restraints excluded: chain BZ residue 198 ASP Chi-restraints excluded: chain BZ residue 213 ILE Chi-restraints excluded: chain BZ residue 227 LEU Chi-restraints excluded: chain BZ residue 266 ILE Chi-restraints excluded: chain BZ residue 286 THR Chi-restraints excluded: chain BZ residue 311 ILE Chi-restraints excluded: chain BZ residue 317 THR Chi-restraints excluded: chain BZ residue 345 SER Chi-restraints excluded: chain BZ residue 347 PHE Chi-restraints excluded: chain CC residue 70 ASP Chi-restraints excluded: chain CC residue 100 VAL Chi-restraints excluded: chain CC residue 110 VAL Chi-restraints excluded: chain CC residue 114 VAL Chi-restraints excluded: chain CD residue 37 ASN Chi-restraints excluded: chain CD residue 60 THR Chi-restraints excluded: chain CD residue 78 THR Chi-restraints excluded: chain CD residue 80 VAL Chi-restraints excluded: chain CD residue 94 GLU Chi-restraints excluded: chain CD residue 103 SER Chi-restraints excluded: chain CD residue 120 ASN Chi-restraints excluded: chain BT residue 71 ASP Chi-restraints excluded: chain BT residue 143 VAL Chi-restraints excluded: chain BT residue 151 THR Chi-restraints excluded: chain BT residue 153 ILE Chi-restraints excluded: chain BT residue 177 SER Chi-restraints excluded: chain BT residue 178 THR Chi-restraints excluded: chain BT residue 193 ARG Chi-restraints excluded: chain BT residue 205 VAL Chi-restraints excluded: chain BT residue 220 LEU Chi-restraints excluded: chain BT residue 229 TYR Chi-restraints excluded: chain BT residue 235 THR Chi-restraints excluded: chain BT residue 236 LEU Chi-restraints excluded: chain BT residue 258 ASP Chi-restraints excluded: chain BT residue 265 MET Chi-restraints excluded: chain BT residue 266 VAL Chi-restraints excluded: chain BT residue 273 ILE Chi-restraints excluded: chain BT residue 275 VAL Chi-restraints excluded: chain BT residue 289 LEU Chi-restraints excluded: chain BT residue 298 ASP Chi-restraints excluded: chain BT residue 305 GLU Chi-restraints excluded: chain BT residue 313 THR Chi-restraints excluded: chain BT residue 339 ILE Chi-restraints excluded: chain BT residue 343 VAL Chi-restraints excluded: chain BU residue 34 VAL Chi-restraints excluded: chain BU residue 36 ARG Chi-restraints excluded: chain BU residue 42 SER Chi-restraints excluded: chain BU residue 60 ILE Chi-restraints excluded: chain BU residue 78 LEU Chi-restraints excluded: chain BU residue 103 THR Chi-restraints excluded: chain BU residue 106 THR Chi-restraints excluded: chain BU residue 111 ILE Chi-restraints excluded: chain BU residue 116 VAL Chi-restraints excluded: chain BU residue 148 VAL Chi-restraints excluded: chain BU residue 185 LEU Chi-restraints excluded: chain BU residue 212 ASP Chi-restraints excluded: chain BU residue 231 VAL Chi-restraints excluded: chain BU residue 242 THR Chi-restraints excluded: chain BU residue 263 THR Chi-restraints excluded: chain BU residue 271 CYS Chi-restraints excluded: chain BU residue 273 TYR Chi-restraints excluded: chain BU residue 274 LYS Chi-restraints excluded: chain BU residue 277 LYS Chi-restraints excluded: chain BU residue 282 ASP Chi-restraints excluded: chain BU residue 283 THR Chi-restraints excluded: chain BU residue 298 LEU Chi-restraints excluded: chain BU residue 309 ILE Chi-restraints excluded: chain BU residue 315 VAL Chi-restraints excluded: chain BU residue 345 VAL Chi-restraints excluded: chain BU residue 355 LEU Chi-restraints excluded: chain BU residue 358 SER Chi-restraints excluded: chain BU residue 360 THR Chi-restraints excluded: chain BU residue 386 HIS Chi-restraints excluded: chain BU residue 417 PHE Chi-restraints excluded: chain BU residue 427 ILE Chi-restraints excluded: chain BU residue 447 PHE Chi-restraints excluded: chain BU residue 448 LEU Chi-restraints excluded: chain BU residue 481 VAL Chi-restraints excluded: chain BW residue 100 SER Chi-restraints excluded: chain BW residue 113 ASP Chi-restraints excluded: chain BW residue 121 THR Chi-restraints excluded: chain BW residue 169 LEU Chi-restraints excluded: chain BW residue 206 LEU Chi-restraints excluded: chain BW residue 207 GLN Chi-restraints excluded: chain BW residue 223 CYS Chi-restraints excluded: chain BW residue 234 LEU Chi-restraints excluded: chain BW residue 241 THR Chi-restraints excluded: chain BW residue 245 VAL Chi-restraints excluded: chain BW residue 249 ASP Chi-restraints excluded: chain BW residue 253 ILE Chi-restraints excluded: chain BW residue 257 LEU Chi-restraints excluded: chain BW residue 265 GLU Chi-restraints excluded: chain BW residue 519 THR Chi-restraints excluded: chain BW residue 558 ASN Chi-restraints excluded: chain BW residue 559 ILE Chi-restraints excluded: chain BW residue 565 VAL Chi-restraints excluded: chain BW residue 574 VAL Chi-restraints excluded: chain BW residue 591 SER Chi-restraints excluded: chain BW residue 598 ARG Chi-restraints excluded: chain BW residue 613 GLN Chi-restraints excluded: chain BW residue 625 LYS Chi-restraints excluded: chain BW residue 639 ASP Chi-restraints excluded: chain BW residue 647 GLU Chi-restraints excluded: chain BW residue 650 THR Chi-restraints excluded: chain BW residue 652 LYS Chi-restraints excluded: chain BW residue 654 ASN Chi-restraints excluded: chain BW residue 660 TYR Chi-restraints excluded: chain BV residue 105 LYS Chi-restraints excluded: chain BV residue 118 LEU Chi-restraints excluded: chain BV residue 140 ASN Chi-restraints excluded: chain BV residue 156 TRP Chi-restraints excluded: chain BV residue 174 ILE Chi-restraints excluded: chain BV residue 193 LEU Chi-restraints excluded: chain BV residue 226 LEU Chi-restraints excluded: chain BV residue 227 THR Chi-restraints excluded: chain BV residue 269 ARG Chi-restraints excluded: chain BV residue 290 THR Chi-restraints excluded: chain BV residue 296 LEU Chi-restraints excluded: chain BV residue 303 LEU Chi-restraints excluded: chain BV residue 323 THR Chi-restraints excluded: chain BR residue 47 PHE Chi-restraints excluded: chain BR residue 58 LEU Chi-restraints excluded: chain BR residue 59 THR Chi-restraints excluded: chain BR residue 97 VAL Chi-restraints excluded: chain BR residue 106 SER Chi-restraints excluded: chain BR residue 131 THR Chi-restraints excluded: chain BR residue 270 GLU Chi-restraints excluded: chain BR residue 271 ASP Chi-restraints excluded: chain BR residue 276 SER Chi-restraints excluded: chain BR residue 278 ARG Rotamers are restrained with sigma=3.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1589 random chunks: chunk 1279 optimal weight: 0.3980 chunk 871 optimal weight: 5.9990 chunk 22 optimal weight: 10.0000 chunk 1143 optimal weight: 20.0000 chunk 633 optimal weight: 8.9990 chunk 1310 optimal weight: 8.9990 chunk 1061 optimal weight: 1.9990 chunk 1 optimal weight: 10.0000 chunk 784 optimal weight: 9.9990 chunk 1378 optimal weight: 0.6980 chunk 387 optimal weight: 6.9990 overall best weight: 3.2186 ------------------------------------------------------------------------------- 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 169 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 226 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 242 HIS C 142 ASN ** C 151 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 24 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** F 32 GLN F 51 HIS ** 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 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** L 111 HIS L 149 ASN ** M 20 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** M 76 ASN ** N 55 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** N 235 GLN 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 282 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 32 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 47 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** R 201 ASN S 384 HIS ** S 389 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 38 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 119 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 91 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** CA 210 GLN ** CA 221 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** CA 276 ASN CA 329 ASN ** CA 470 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 639 ASN ** BQ 183 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BE 113 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** BO 124 ASN ** 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 271 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ah 346 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Ah 389 ASN ** Ah 461 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Ap 44 GLN ** Ap 71 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ap 81 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Ap 87 GLN ** Ab 110 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Aa 154 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 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 146 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** As 94 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BG1260 ASN ** 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 327 HIS ** Aj 439 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Aj 491 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ar 105 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ar 165 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** An 211 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 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** ** Ag 130 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Bl 148 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BX 88 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** BX 140 HIS ** 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 263 GLN ** BU 59 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BU 246 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BU 327 ASN ** BW 537 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BR 71 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 29 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7442 moved from start: 0.2510 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= 0.393 Angle : 0.734 27.955 200058 Z= 0.371 Chirality : 0.045 1.115 22406 Planarity : 0.005 0.156 23035 Dihedral : 20.438 179.627 30067 Min Nonbonded Distance : 1.364 Molprobity Statistics. All-atom Clashscore : 18.93 Ramachandran Plot: Outliers : 0.17 % Allowed : 11.80 % Favored : 88.03 % Rotamer: Outliers : 8.12 % Allowed : 25.39 % Favored : 66.50 % Cbeta Deviations : 0.01 % Peptide Plane: Cis-proline : 0.43 % Cis-general : 0.08 % Twisted Proline : 0.33 % 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: -3.56 (0.06), residues: 15214 helix: -2.07 (0.06), residues: 5451 sheet: -2.59 (0.14), residues: 1100 loop : -2.59 (0.06), residues: 8663 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.035 0.001 TRPAx 146 HIS 0.022 0.001 HISCD 53 PHE 0.027 0.002 PHEBK 200 TYR 0.030 0.002 TYRBW 167 ARG 0.046 0.000 ARGAw 81 *********************** 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 3026 residues out of total 12517 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 1016 poor density : 2010 time to evaluate : 10.981 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: A 165 LYS cc_start: 0.8350 (OUTLIER) cc_final: 0.7985 (pttt) REVERT: A 167 SER cc_start: 0.8762 (p) cc_final: 0.8510 (p) REVERT: A 346 GLU cc_start: 0.6664 (OUTLIER) cc_final: 0.5795 (pm20) REVERT: B 86 MET cc_start: 0.7438 (tpp) cc_final: 0.7113 (tpp) REVERT: B 148 ARG cc_start: 0.8035 (mtm180) cc_final: 0.7733 (mtt-85) REVERT: B 191 MET cc_start: 0.8338 (tpp) cc_final: 0.7913 (tpt) REVERT: B 434 MET cc_start: 0.7522 (ttt) cc_final: 0.7137 (ttm) REVERT: C 159 GLU cc_start: 0.7415 (mm-30) cc_final: 0.7142 (mm-30) REVERT: E 53 TRP cc_start: 0.6437 (m-10) cc_final: 0.5939 (m-10) REVERT: E 81 ASP cc_start: 0.6163 (t0) cc_final: 0.5917 (t0) REVERT: F 87 LEU cc_start: 0.8919 (mt) cc_final: 0.8686 (mt) REVERT: G 228 TYR cc_start: 0.7311 (OUTLIER) cc_final: 0.6595 (p90) REVERT: I 117 TYR cc_start: 0.7535 (m-10) cc_final: 0.7133 (m-10) REVERT: I 262 MET cc_start: 0.4249 (mmm) cc_final: 0.3349 (mmp) REVERT: J 6 ARG cc_start: 0.8261 (OUTLIER) cc_final: 0.7473 (ttt180) REVERT: J 38 LYS cc_start: 0.8722 (OUTLIER) cc_final: 0.7398 (tptt) REVERT: J 71 ILE cc_start: 0.8301 (OUTLIER) cc_final: 0.8043 (mp) REVERT: K 88 ASN cc_start: 0.8093 (t0) cc_final: 0.7221 (t0) REVERT: L 44 ARG cc_start: 0.7939 (OUTLIER) cc_final: 0.7280 (ttm170) REVERT: L 101 ARG cc_start: 0.7157 (ptp-110) cc_final: 0.6888 (ptp90) REVERT: M 40 ARG cc_start: 0.8309 (OUTLIER) cc_final: 0.7995 (ttt180) REVERT: M 210 ASP cc_start: 0.7500 (OUTLIER) cc_final: 0.7242 (m-30) REVERT: N 50 ARG cc_start: 0.8033 (OUTLIER) cc_final: 0.7724 (ptt180) REVERT: N 61 ARG cc_start: 0.6267 (OUTLIER) cc_final: 0.4308 (pmt-80) REVERT: N 75 GLU cc_start: 0.7380 (tp30) cc_final: 0.7147 (tp30) REVERT: N 137 TYR cc_start: 0.7458 (t80) cc_final: 0.7202 (t80) REVERT: O 26 MET cc_start: 0.6679 (tpp) cc_final: 0.6186 (tpp) REVERT: O 92 GLU cc_start: 0.6879 (tt0) cc_final: 0.6517 (tt0) REVERT: O 130 GLU cc_start: 0.7231 (OUTLIER) cc_final: 0.6615 (pp20) REVERT: O 238 LEU cc_start: 0.5466 (OUTLIER) cc_final: 0.4860 (pp) REVERT: Q 21 ARG cc_start: 0.5673 (OUTLIER) cc_final: 0.5074 (mtt180) REVERT: Q 96 TYR cc_start: 0.7913 (OUTLIER) cc_final: 0.7694 (m-80) REVERT: Q 103 PHE cc_start: 0.6995 (t80) cc_final: 0.6769 (t80) REVERT: R 72 GLN cc_start: 0.8781 (OUTLIER) cc_final: 0.8142 (tt0) REVERT: R 243 ILE cc_start: 0.1905 (OUTLIER) cc_final: 0.1253 (mp) REVERT: S 272 GLU cc_start: 0.7631 (mp0) cc_final: 0.7123 (mp0) REVERT: S 285 MET cc_start: 0.9027 (ttp) cc_final: 0.8568 (ptm) REVERT: S 303 ARG cc_start: 0.8005 (mtt180) cc_final: 0.7572 (mtt-85) REVERT: S 377 LYS cc_start: 0.8219 (OUTLIER) cc_final: 0.7937 (mmtm) REVERT: T 55 GLU cc_start: 0.6909 (pt0) cc_final: 0.6581 (pt0) REVERT: T 76 GLU cc_start: 0.6565 (mm-30) cc_final: 0.6054 (mm-30) REVERT: V 20 GLN cc_start: 0.8493 (tm-30) cc_final: 0.8285 (tm-30) REVERT: V 38 GLN cc_start: 0.4454 (OUTLIER) cc_final: 0.4248 (tt0) REVERT: V 47 MET cc_start: 0.8736 (mtp) cc_final: 0.8469 (mtp) REVERT: V 142 LYS cc_start: 0.6998 (OUTLIER) cc_final: 0.6521 (mptt) REVERT: Z 49 TRP cc_start: 0.7910 (p90) cc_final: 0.7602 (p90) REVERT: Z 58 ASP cc_start: 0.8283 (p0) cc_final: 0.7962 (p0) REVERT: CA 230 TYR cc_start: 0.7268 (m-10) cc_final: 0.7061 (m-10) REVERT: CA 276 ASN cc_start: 0.8491 (OUTLIER) cc_final: 0.8179 (t0) REVERT: CA 285 ILE cc_start: 0.7738 (OUTLIER) cc_final: 0.7468 (mp) REVERT: CA 380 MET cc_start: 0.8773 (tpp) cc_final: 0.7477 (mmm) REVERT: CA 552 ARG cc_start: 0.6782 (OUTLIER) cc_final: 0.5008 (mtm180) REVERT: BB 33 ARG cc_start: 0.7864 (OUTLIER) cc_final: 0.7177 (ttp-110) REVERT: BB 37 ARG cc_start: 0.7271 (OUTLIER) cc_final: 0.6792 (mtt-85) REVERT: CB 64 LYS cc_start: 0.7975 (ttmm) cc_final: 0.7773 (mtmm) REVERT: CB 99 TRP cc_start: 0.7429 (t60) cc_final: 0.7016 (t60) REVERT: CB 115 ARG cc_start: 0.4203 (OUTLIER) cc_final: 0.3481 (ppt170) REVERT: BK 238 LEU cc_start: 0.8582 (OUTLIER) cc_final: 0.8298 (mt) REVERT: BK 371 PHE cc_start: 0.5311 (t80) cc_final: 0.5028 (m-80) REVERT: BK 439 ASP cc_start: 0.7222 (OUTLIER) cc_final: 0.6964 (p0) REVERT: BK 440 MET cc_start: 0.7072 (tpt) cc_final: 0.6755 (mmm) REVERT: BK 631 LEU cc_start: 0.8306 (OUTLIER) cc_final: 0.7982 (tt) REVERT: BK 748 LEU cc_start: 0.8693 (OUTLIER) cc_final: 0.8306 (mp) REVERT: BQ 71 LEU cc_start: 0.8189 (OUTLIER) cc_final: 0.7965 (mt) REVERT: BQ 142 LEU cc_start: 0.8075 (OUTLIER) cc_final: 0.7836 (mm) REVERT: BQ 206 ASP cc_start: 0.4947 (OUTLIER) cc_final: 0.4734 (m-30) REVERT: BQ 354 LEU cc_start: 0.5456 (OUTLIER) cc_final: 0.5166 (tp) REVERT: BQ 400 GLU cc_start: 0.7449 (OUTLIER) cc_final: 0.6607 (pm20) REVERT: BN 309 ASP cc_start: 0.7559 (OUTLIER) cc_final: 0.6945 (p0) REVERT: BO 165 ARG cc_start: 0.7415 (ttt-90) cc_final: 0.7166 (ttt90) REVERT: Af 68 SER cc_start: 0.8474 (p) cc_final: 0.7857 (m) REVERT: Ah 122 TRP cc_start: 0.7804 (m100) cc_final: 0.7576 (m-10) REVERT: Ah 172 LYS cc_start: 0.4436 (tttt) cc_final: 0.4083 (tttt) REVERT: Ah 206 MET cc_start: 0.7342 (mmt) cc_final: 0.7090 (mmm) REVERT: Ah 238 ARG cc_start: 0.3550 (OUTLIER) cc_final: 0.3334 (tmm160) REVERT: Ah 315 LYS cc_start: 0.7406 (mttt) cc_final: 0.7135 (ttpt) REVERT: Ah 366 MET cc_start: 0.5832 (ptm) cc_final: 0.5332 (ptm) REVERT: Ah 407 MET cc_start: 0.7134 (mmt) cc_final: 0.6855 (mmt) REVERT: Ah 409 THR cc_start: 0.7839 (OUTLIER) cc_final: 0.7613 (p) REVERT: Ap 196 MET cc_start: 0.7953 (tpt) cc_final: 0.7247 (tpt) REVERT: Ap 222 ARG cc_start: 0.4289 (ttt-90) cc_final: 0.3866 (mmt180) REVERT: Al 87 GLU cc_start: 0.8585 (OUTLIER) cc_final: 0.8103 (pm20) REVERT: Al 301 ARG cc_start: 0.7883 (ptp90) cc_final: 0.7397 (ptm160) REVERT: Ab 141 GLU cc_start: 0.6475 (mt-10) cc_final: 0.6234 (mt-10) REVERT: BP -4 THR cc_start: 0.8420 (OUTLIER) cc_final: 0.8090 (t) REVERT: BP -2 ILE cc_start: 0.8366 (OUTLIER) cc_final: 0.8001 (tp) REVERT: BP 4 HIS cc_start: 0.8312 (OUTLIER) cc_final: 0.7807 (m-70) REVERT: Az 85 ASN cc_start: 0.7331 (OUTLIER) cc_final: 0.6992 (p0) REVERT: Az 129 ASP cc_start: 0.7698 (OUTLIER) cc_final: 0.7118 (m-30) REVERT: Am 50 ARG cc_start: 0.8088 (OUTLIER) cc_final: 0.7455 (ptm-80) REVERT: Am 247 GLU cc_start: 0.5719 (OUTLIER) cc_final: 0.5401 (pp20) REVERT: Am 279 GLN cc_start: 0.7801 (OUTLIER) cc_final: 0.7388 (mp-120) REVERT: Am 288 LYS cc_start: 0.7255 (mmtp) cc_final: 0.5547 (ttpt) REVERT: BG 1311 LYS cc_start: 0.6552 (mptt) cc_final: 0.6065 (ttmt) REVERT: Ad 77 LEU cc_start: 0.8815 (OUTLIER) cc_final: 0.8602 (mp) REVERT: BH 71 GLN cc_start: 0.8332 (mt0) cc_final: 0.8047 (mt0) REVERT: BH 113 ASP cc_start: 0.7284 (OUTLIER) cc_final: 0.6905 (p0) REVERT: BH 132 HIS cc_start: 0.7679 (OUTLIER) cc_final: 0.7320 (p-80) REVERT: Aj 422 LEU cc_start: 0.8451 (OUTLIER) cc_final: 0.8102 (pp) REVERT: Aj 453 ILE cc_start: 0.7295 (OUTLIER) cc_final: 0.6991 (mt) REVERT: Ar 25 THR cc_start: 0.5491 (t) cc_final: 0.5212 (t) REVERT: Ar 148 ILE cc_start: 0.8797 (mt) cc_final: 0.8576 (mt) REVERT: Ar 169 LEU cc_start: 0.8755 (OUTLIER) cc_final: 0.8455 (tp) REVERT: Ar 196 ARG cc_start: 0.6929 (OUTLIER) cc_final: 0.6276 (ttt90) REVERT: An 93 VAL cc_start: 0.7581 (OUTLIER) cc_final: 0.7304 (t) REVERT: An 98 ARG cc_start: 0.6865 (OUTLIER) cc_final: 0.6604 (ptt90) REVERT: An 134 PHE cc_start: 0.3077 (OUTLIER) cc_final: 0.2317 (p90) REVERT: An 180 ARG cc_start: 0.6451 (mtp85) cc_final: 0.5861 (mtp85) REVERT: An 229 THR cc_start: 0.7546 (t) cc_final: 0.7161 (p) REVERT: BM 43 TYR cc_start: 0.4478 (t80) cc_final: 0.3591 (m-80) REVERT: BM 72 TYR cc_start: 0.6625 (OUTLIER) cc_final: 0.5366 (m-80) REVERT: BM 134 LYS cc_start: 0.7051 (OUTLIER) cc_final: 0.6728 (tmtt) REVERT: BM 216 GLN cc_start: 0.5452 (OUTLIER) cc_final: 0.5192 (pm20) REVERT: BM 261 PHE cc_start: 0.6978 (t80) cc_final: 0.6546 (t80) REVERT: BM 286 TYR cc_start: 0.5762 (OUTLIER) cc_final: 0.4584 (t80) REVERT: BM 290 HIS cc_start: 0.6160 (m-70) cc_final: 0.5439 (m-70) REVERT: BM 326 TYR cc_start: 0.5263 (OUTLIER) cc_final: 0.4934 (t80) REVERT: Ag 75 ARG cc_start: 0.7050 (tpp-160) cc_final: 0.6477 (ttm-80) REVERT: Bl 164 ASP cc_start: 0.5910 (p0) cc_final: 0.5568 (p0) REVERT: Bl 195 MET cc_start: 0.7349 (tmm) cc_final: 0.6871 (tmm) REVERT: Ax 154 HIS cc_start: 0.6758 (OUTLIER) cc_final: 0.6451 (t70) REVERT: Ax 173 ARG cc_start: 0.1740 (mtt180) cc_final: 0.1268 (mmm160) REVERT: Ax 175 ILE cc_start: 0.6242 (tp) cc_final: 0.5941 (pt) REVERT: Ax 205 ARG cc_start: 0.3484 (mmm160) cc_final: 0.3198 (ttt180) REVERT: Ax 208 MET cc_start: 0.7239 (ppp) cc_final: 0.6908 (ppp) REVERT: BS 408 GLN cc_start: 0.7446 (mt0) cc_final: 0.6432 (pm20) REVERT: BY 130 GLU cc_start: 0.3647 (OUTLIER) cc_final: 0.2779 (tt0) REVERT: BY 191 LEU cc_start: 0.7111 (OUTLIER) cc_final: 0.6346 (tt) REVERT: BY 212 TYR cc_start: 0.5791 (m-80) cc_final: 0.5527 (m-80) REVERT: BX 98 LYS cc_start: 0.6504 (tttm) cc_final: 0.6063 (pttm) REVERT: BX 177 LYS cc_start: 0.7748 (mmmt) cc_final: 0.7365 (tptt) REVERT: BX 222 HIS cc_start: 0.6624 (m-70) cc_final: 0.6271 (m-70) REVERT: BX 239 HIS cc_start: 0.5015 (OUTLIER) cc_final: 0.4307 (p90) REVERT: BZ 65 PHE cc_start: 0.7054 (OUTLIER) cc_final: 0.6326 (t80) REVERT: BZ 98 ARG cc_start: 0.8186 (OUTLIER) cc_final: 0.7440 (ttm170) REVERT: BZ 107 ARG cc_start: 0.7999 (OUTLIER) cc_final: 0.5496 (mmp-170) REVERT: BZ 194 MET cc_start: 0.6886 (ttp) cc_final: 0.5213 (tpp) REVERT: BZ 301 ASN cc_start: 0.7349 (m-40) cc_final: 0.7105 (m-40) REVERT: BZ 354 PHE cc_start: 0.4006 (p90) cc_final: 0.3695 (p90) REVERT: CC 71 LYS cc_start: 0.7616 (tmtt) cc_final: 0.6379 (mmpt) REVERT: CC 92 LYS cc_start: 0.5513 (ttpt) cc_final: 0.5064 (mptt) REVERT: CD 37 ASN cc_start: 0.7492 (OUTLIER) cc_final: 0.6633 (m-40) REVERT: CD 79 LEU cc_start: 0.7507 (mt) cc_final: 0.7196 (mt) REVERT: CD 113 LYS cc_start: 0.8555 (tppp) cc_final: 0.7936 (tppp) REVERT: BT 139 TRP cc_start: 0.7063 (m-90) cc_final: 0.6320 (p-90) REVERT: BT 193 ARG cc_start: 0.2744 (OUTLIER) cc_final: 0.2452 (mpt-90) REVERT: BT 200 ARG cc_start: 0.4038 (mmm160) cc_final: 0.3454 (ttp-110) REVERT: BT 215 MET cc_start: 0.2862 (tpp) cc_final: 0.2626 (tpt) REVERT: BT 229 TYR cc_start: 0.7232 (OUTLIER) cc_final: 0.6381 (m-10) REVERT: BU 41 LYS cc_start: 0.5624 (pttm) cc_final: 0.5389 (pttm) REVERT: BU 130 TYR cc_start: 0.7492 (t80) cc_final: 0.7083 (t80) REVERT: BU 152 GLU cc_start: 0.7721 (mp0) cc_final: 0.7417 (mp0) REVERT: BU 175 LYS cc_start: 0.8221 (mttp) cc_final: 0.7821 (mmmt) REVERT: BU 216 MET cc_start: 0.5987 (tmm) cc_final: 0.5677 (tmm) REVERT: BU 255 ARG cc_start: 0.6776 (mmm-85) cc_final: 0.6516 (mtp85) REVERT: BU 300 ARG cc_start: 0.6845 (mmt90) cc_final: 0.6165 (mmt180) REVERT: BW 108 LYS cc_start: 0.4769 (mmtt) cc_final: 0.3720 (mmtp) REVERT: BW 113 ASP cc_start: 0.7774 (OUTLIER) cc_final: 0.6962 (t0) REVERT: BW 169 LEU cc_start: 0.7957 (OUTLIER) cc_final: 0.7646 (tp) REVERT: BW 206 LEU cc_start: 0.9000 (OUTLIER) cc_final: 0.8612 (mp) REVERT: BW 265 GLU cc_start: 0.7905 (OUTLIER) cc_final: 0.7242 (tp30) REVERT: BW 503 PHE cc_start: 0.7503 (OUTLIER) cc_final: 0.7078 (t80) REVERT: BW 598 ARG cc_start: 0.8671 (OUTLIER) cc_final: 0.8214 (mtp180) REVERT: BW 625 LYS cc_start: 0.8338 (OUTLIER) cc_final: 0.7904 (ttpp) REVERT: BV 105 LYS cc_start: 0.7337 (OUTLIER) cc_final: 0.6560 (mttm) REVERT: BV 140 ASN cc_start: 0.6621 (OUTLIER) cc_final: 0.5963 (m-40) REVERT: BV 153 TYR cc_start: 0.4249 (OUTLIER) cc_final: 0.3835 (p90) REVERT: BV 156 TRP cc_start: 0.5492 (OUTLIER) cc_final: 0.5199 (m-10) REVERT: BV 164 ARG cc_start: 0.5812 (mmm-85) cc_final: 0.5377 (mmt180) REVERT: BV 192 TRP cc_start: 0.7687 (t60) cc_final: 0.7253 (t60) REVERT: BV 269 ARG cc_start: 0.2976 (OUTLIER) cc_final: 0.2675 (ttm170) REVERT: BV 281 MET cc_start: 0.6279 (ttm) cc_final: 0.5564 (ttm) REVERT: BV 285 TYR cc_start: 0.7644 (m-10) cc_final: 0.6803 (m-80) outliers start: 1016 outliers final: 701 residues processed: 2802 average time/residue: 1.1759 time to fit residues: 5735.9824 Evaluate side-chains 2639 residues out of total 12517 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 785 poor density : 1854 time to evaluate : 10.847 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 40 SER Chi-restraints excluded: chain A residue 49 MET Chi-restraints excluded: chain A residue 112 TYR Chi-restraints excluded: chain A residue 140 THR Chi-restraints excluded: chain A residue 145 ASP Chi-restraints excluded: chain A residue 165 LYS Chi-restraints excluded: chain A residue 185 VAL Chi-restraints excluded: chain A residue 203 VAL Chi-restraints excluded: chain A residue 214 VAL Chi-restraints excluded: chain A residue 237 VAL Chi-restraints excluded: chain A residue 255 HIS Chi-restraints excluded: chain A residue 257 PHE Chi-restraints excluded: chain A residue 262 VAL Chi-restraints excluded: chain A residue 275 CYS Chi-restraints excluded: chain A residue 316 ILE Chi-restraints excluded: chain A residue 334 ASP Chi-restraints excluded: chain A residue 346 GLU Chi-restraints excluded: chain A residue 350 THR Chi-restraints excluded: chain A residue 355 THR Chi-restraints excluded: chain A residue 365 SER Chi-restraints excluded: chain A residue 381 MET Chi-restraints excluded: chain B residue 9 VAL Chi-restraints excluded: chain B residue 18 VAL Chi-restraints excluded: chain B residue 28 VAL Chi-restraints excluded: chain B residue 42 ASN Chi-restraints excluded: chain B residue 55 SER Chi-restraints excluded: chain B residue 70 LEU Chi-restraints excluded: chain B residue 80 VAL Chi-restraints excluded: chain B residue 94 VAL Chi-restraints excluded: chain B residue 97 LEU Chi-restraints excluded: chain B residue 104 THR Chi-restraints excluded: chain B residue 137 SER Chi-restraints excluded: chain B residue 181 VAL Chi-restraints excluded: chain B residue 203 LEU Chi-restraints excluded: chain B residue 220 THR Chi-restraints excluded: chain B residue 242 HIS Chi-restraints excluded: chain B residue 257 THR Chi-restraints excluded: chain B residue 262 TYR Chi-restraints excluded: chain B residue 263 ASP Chi-restraints excluded: chain B residue 273 ASN Chi-restraints excluded: chain B residue 286 ASP Chi-restraints excluded: chain B residue 287 GLU Chi-restraints excluded: chain B residue 300 THR Chi-restraints excluded: chain B residue 334 LEU Chi-restraints excluded: chain B residue 337 GLU Chi-restraints excluded: chain B residue 345 LEU Chi-restraints excluded: chain C residue 18 HIS Chi-restraints excluded: chain C residue 44 ASP Chi-restraints excluded: chain C residue 55 MET Chi-restraints excluded: chain C residue 88 THR Chi-restraints excluded: chain C residue 99 LEU Chi-restraints excluded: chain C residue 115 VAL Chi-restraints excluded: chain C residue 118 LEU Chi-restraints excluded: chain C residue 136 THR Chi-restraints excluded: chain C residue 149 LEU Chi-restraints excluded: chain C residue 151 GLN Chi-restraints excluded: chain C residue 158 THR Chi-restraints excluded: chain C residue 178 ILE Chi-restraints excluded: chain C residue 181 THR Chi-restraints excluded: chain C residue 192 GLN Chi-restraints excluded: chain C residue 203 ILE Chi-restraints excluded: chain C residue 213 ASP Chi-restraints excluded: chain E residue 24 ASN Chi-restraints excluded: chain E residue 44 PHE Chi-restraints excluded: chain E residue 64 THR Chi-restraints excluded: chain E residue 109 ASP Chi-restraints excluded: chain E residue 121 THR Chi-restraints excluded: chain E residue 139 VAL Chi-restraints excluded: chain E residue 180 VAL Chi-restraints excluded: chain E residue 181 VAL Chi-restraints excluded: chain E residue 197 VAL Chi-restraints excluded: chain E residue 202 VAL Chi-restraints excluded: chain E residue 214 SER Chi-restraints excluded: chain F residue 4 GLN Chi-restraints excluded: chain F residue 59 ASP Chi-restraints excluded: chain F residue 76 THR Chi-restraints excluded: chain F residue 104 LYS Chi-restraints excluded: chain F residue 105 ASP Chi-restraints excluded: chain F residue 129 GLU Chi-restraints excluded: chain F residue 132 VAL Chi-restraints excluded: chain G residue 34 LEU Chi-restraints excluded: chain G residue 47 SER Chi-restraints excluded: chain G residue 50 ASP Chi-restraints excluded: chain G residue 68 THR Chi-restraints excluded: chain G residue 71 ASN Chi-restraints excluded: chain G residue 76 THR Chi-restraints excluded: chain G residue 90 ILE Chi-restraints excluded: chain G residue 98 THR Chi-restraints excluded: chain G residue 100 THR Chi-restraints excluded: chain G residue 104 VAL Chi-restraints excluded: chain G residue 108 SER Chi-restraints excluded: chain G residue 208 ASP Chi-restraints excluded: chain G residue 217 VAL Chi-restraints excluded: chain G residue 226 VAL Chi-restraints excluded: chain G residue 228 TYR Chi-restraints excluded: chain G residue 262 LEU Chi-restraints excluded: chain G residue 269 GLU Chi-restraints excluded: chain G residue 321 ILE Chi-restraints excluded: chain G residue 322 ARG Chi-restraints excluded: chain I residue 44 LEU Chi-restraints excluded: chain I residue 84 ILE Chi-restraints excluded: chain I residue 109 THR Chi-restraints excluded: chain I residue 186 PHE Chi-restraints excluded: chain I residue 227 LEU Chi-restraints excluded: chain I residue 247 ASP Chi-restraints excluded: chain I residue 251 THR Chi-restraints excluded: chain I residue 263 LEU Chi-restraints excluded: chain J residue 6 ARG Chi-restraints excluded: chain J residue 19 PHE Chi-restraints excluded: chain J residue 20 PHE Chi-restraints excluded: chain J residue 37 ILE Chi-restraints excluded: chain J residue 38 LYS Chi-restraints excluded: chain J residue 48 THR Chi-restraints excluded: chain J residue 66 ARG Chi-restraints excluded: chain J residue 71 ILE Chi-restraints excluded: chain J residue 73 THR Chi-restraints excluded: chain J residue 76 ASP Chi-restraints excluded: chain J residue 82 THR Chi-restraints excluded: chain J residue 84 ILE Chi-restraints excluded: chain J residue 88 LEU Chi-restraints excluded: chain J residue 90 VAL Chi-restraints excluded: chain J residue 115 THR Chi-restraints excluded: chain K residue 14 THR Chi-restraints excluded: chain K residue 40 THR Chi-restraints excluded: chain K residue 63 ARG Chi-restraints excluded: chain K residue 84 LEU Chi-restraints excluded: chain K residue 126 THR Chi-restraints excluded: chain K residue 132 GLU Chi-restraints excluded: chain K residue 162 THR Chi-restraints excluded: chain K residue 175 THR Chi-restraints excluded: chain L residue 38 ASP Chi-restraints excluded: chain L residue 42 VAL Chi-restraints excluded: chain L residue 44 ARG Chi-restraints excluded: chain L residue 53 ILE Chi-restraints excluded: chain L residue 77 VAL Chi-restraints excluded: chain L residue 79 VAL Chi-restraints excluded: chain L residue 91 ASN Chi-restraints excluded: chain L residue 92 VAL Chi-restraints excluded: chain L residue 93 VAL Chi-restraints excluded: chain L residue 94 SER Chi-restraints excluded: chain L residue 98 THR Chi-restraints excluded: chain L residue 149 ASN Chi-restraints excluded: chain L residue 151 VAL Chi-restraints excluded: chain L residue 159 ASP Chi-restraints excluded: chain L residue 160 LEU Chi-restraints excluded: chain M residue 40 ARG Chi-restraints excluded: chain M residue 45 THR Chi-restraints excluded: chain M residue 57 THR Chi-restraints excluded: chain M residue 62 LEU Chi-restraints excluded: chain M residue 63 ASP Chi-restraints excluded: chain M residue 65 THR Chi-restraints excluded: chain M residue 73 THR Chi-restraints excluded: chain M residue 76 ASN Chi-restraints excluded: chain M residue 105 VAL Chi-restraints excluded: chain M residue 109 VAL Chi-restraints excluded: chain M residue 152 VAL Chi-restraints excluded: chain M residue 174 MET Chi-restraints excluded: chain M residue 210 ASP Chi-restraints excluded: chain M residue 228 SER Chi-restraints excluded: chain M residue 241 MET Chi-restraints excluded: chain M residue 247 THR Chi-restraints excluded: chain M residue 249 ILE Chi-restraints excluded: chain M residue 256 THR Chi-restraints excluded: chain N residue 50 ARG Chi-restraints excluded: chain N residue 52 LEU Chi-restraints excluded: chain N residue 55 GLN Chi-restraints excluded: chain N residue 61 ARG Chi-restraints excluded: chain N residue 73 THR Chi-restraints excluded: chain N residue 105 ILE Chi-restraints excluded: chain N residue 109 ILE Chi-restraints excluded: chain N residue 123 HIS Chi-restraints excluded: chain N residue 134 SER Chi-restraints excluded: chain N residue 149 VAL Chi-restraints excluded: chain N residue 153 LEU Chi-restraints excluded: chain N residue 154 VAL Chi-restraints excluded: chain N residue 158 VAL Chi-restraints excluded: chain N residue 190 ASP Chi-restraints excluded: chain N residue 212 ILE Chi-restraints excluded: chain N residue 223 VAL Chi-restraints excluded: chain O residue 54 LEU Chi-restraints excluded: chain O residue 56 LEU Chi-restraints excluded: chain O residue 87 ILE Chi-restraints excluded: chain O residue 98 ASP Chi-restraints excluded: chain O residue 100 THR Chi-restraints excluded: chain O residue 130 GLU Chi-restraints excluded: chain O residue 196 SER Chi-restraints excluded: chain O residue 197 VAL Chi-restraints excluded: chain O residue 218 VAL Chi-restraints excluded: chain O residue 238 LEU Chi-restraints excluded: chain O residue 290 ASP Chi-restraints excluded: chain Q residue 11 SER Chi-restraints excluded: chain Q residue 21 ARG Chi-restraints excluded: chain Q residue 49 VAL Chi-restraints excluded: chain Q residue 84 GLU Chi-restraints excluded: chain Q residue 92 VAL Chi-restraints excluded: chain Q residue 96 TYR Chi-restraints excluded: chain Q residue 114 LEU Chi-restraints excluded: chain Q residue 157 ARG Chi-restraints excluded: chain Q residue 219 VAL Chi-restraints excluded: chain R residue 17 VAL Chi-restraints excluded: chain R residue 57 GLU Chi-restraints excluded: chain R residue 62 SER Chi-restraints excluded: chain R residue 72 GLN Chi-restraints excluded: chain R residue 85 LYS Chi-restraints excluded: chain R residue 138 THR Chi-restraints excluded: chain R residue 149 VAL Chi-restraints excluded: chain R residue 150 ASP Chi-restraints excluded: chain R residue 158 LEU Chi-restraints excluded: chain R residue 163 VAL Chi-restraints excluded: chain R residue 235 SER Chi-restraints excluded: chain R residue 243 ILE Chi-restraints excluded: chain R residue 256 HIS Chi-restraints excluded: chain R residue 258 VAL Chi-restraints excluded: chain R residue 283 ILE Chi-restraints excluded: chain R residue 296 ILE Chi-restraints excluded: chain R residue 305 THR Chi-restraints excluded: chain R residue 332 VAL Chi-restraints excluded: chain R residue 353 ILE Chi-restraints excluded: chain R residue 393 LEU Chi-restraints excluded: chain R residue 474 GLU Chi-restraints excluded: chain R residue 475 VAL Chi-restraints excluded: chain S residue 262 CYS Chi-restraints excluded: chain S residue 267 PHE Chi-restraints excluded: chain S residue 270 SER Chi-restraints excluded: chain S residue 274 ASN Chi-restraints excluded: chain S residue 290 VAL Chi-restraints excluded: chain S residue 324 ILE Chi-restraints excluded: chain S residue 337 ILE Chi-restraints excluded: chain S residue 347 VAL Chi-restraints excluded: chain S residue 349 ASN Chi-restraints excluded: chain S residue 373 ASP Chi-restraints excluded: chain S residue 377 LYS Chi-restraints excluded: chain S residue 384 HIS Chi-restraints excluded: chain S residue 385 HIS Chi-restraints excluded: chain T residue 34 ASN Chi-restraints excluded: chain T residue 52 LEU Chi-restraints excluded: chain T residue 65 GLU Chi-restraints excluded: chain T residue 78 CYS Chi-restraints excluded: chain V residue 38 GLN Chi-restraints excluded: chain V residue 39 VAL Chi-restraints excluded: chain V residue 72 ASP Chi-restraints excluded: chain V residue 73 VAL Chi-restraints excluded: chain V residue 92 MET Chi-restraints excluded: chain V residue 127 GLU Chi-restraints excluded: chain V residue 142 LYS Chi-restraints excluded: chain V residue 150 VAL Chi-restraints excluded: chain Z residue 80 ARG Chi-restraints excluded: chain Z residue 97 VAL Chi-restraints excluded: chain Z residue 116 SER Chi-restraints excluded: chain Z residue 131 TRP Chi-restraints excluded: chain Z residue 149 ASP Chi-restraints excluded: chain Z residue 157 VAL Chi-restraints excluded: chain BA residue 68 VAL Chi-restraints excluded: chain BA residue 112 GLU Chi-restraints excluded: chain BA residue 138 VAL Chi-restraints excluded: chain BA residue 142 SER Chi-restraints excluded: chain BA residue 147 SER Chi-restraints excluded: chain CA residue 88 GLU Chi-restraints excluded: chain CA residue 110 SER Chi-restraints excluded: chain CA residue 118 GLU Chi-restraints excluded: chain CA residue 122 THR Chi-restraints excluded: chain CA residue 137 SER Chi-restraints excluded: chain CA residue 154 LEU Chi-restraints excluded: chain CA residue 166 LEU Chi-restraints excluded: chain CA residue 193 SER Chi-restraints excluded: chain CA residue 217 HIS Chi-restraints excluded: chain CA residue 223 LEU Chi-restraints excluded: chain CA residue 227 ASP Chi-restraints excluded: chain CA residue 241 VAL Chi-restraints excluded: chain CA residue 251 LEU Chi-restraints excluded: chain CA residue 275 ILE Chi-restraints excluded: chain CA residue 276 ASN Chi-restraints excluded: chain CA residue 285 ILE Chi-restraints excluded: chain CA residue 291 PHE Chi-restraints excluded: chain CA residue 329 ASN Chi-restraints excluded: chain CA residue 334 THR Chi-restraints excluded: chain CA residue 416 ARG Chi-restraints excluded: chain CA residue 418 VAL Chi-restraints excluded: chain CA residue 425 ARG Chi-restraints excluded: chain CA residue 426 ILE Chi-restraints excluded: chain CA residue 445 HIS Chi-restraints excluded: chain CA residue 446 TYR Chi-restraints excluded: chain CA residue 453 LEU Chi-restraints excluded: chain CA residue 477 PHE Chi-restraints excluded: chain CA residue 478 THR Chi-restraints excluded: chain CA residue 536 PHE Chi-restraints excluded: chain CA residue 544 THR Chi-restraints excluded: chain CA residue 552 ARG Chi-restraints excluded: chain BB residue 33 ARG Chi-restraints excluded: chain BB residue 37 ARG Chi-restraints excluded: chain BB residue 85 ASP Chi-restraints excluded: chain BB residue 94 LEU Chi-restraints excluded: chain CB residue 75 GLU Chi-restraints excluded: chain CB residue 114 LYS Chi-restraints excluded: chain CB residue 115 ARG Chi-restraints excluded: chain CB residue 132 VAL Chi-restraints excluded: chain CB residue 180 THR Chi-restraints excluded: chain BK residue 164 HIS Chi-restraints excluded: chain BK residue 169 ASP Chi-restraints excluded: chain BK residue 203 THR Chi-restraints excluded: chain BK residue 228 ASN Chi-restraints excluded: chain BK residue 230 LEU Chi-restraints excluded: chain BK residue 233 ILE Chi-restraints excluded: chain BK residue 238 LEU Chi-restraints excluded: chain BK residue 289 LEU Chi-restraints excluded: chain BK residue 301 LEU Chi-restraints excluded: chain BK residue 304 ASN Chi-restraints excluded: chain BK residue 318 VAL Chi-restraints excluded: chain BK residue 325 VAL Chi-restraints excluded: chain BK residue 383 VAL Chi-restraints excluded: chain BK residue 393 ASP Chi-restraints excluded: chain BK residue 402 TYR Chi-restraints excluded: chain BK residue 415 VAL Chi-restraints excluded: chain BK residue 428 LEU Chi-restraints excluded: chain BK residue 439 ASP Chi-restraints excluded: chain BK residue 466 LEU Chi-restraints excluded: chain BK residue 527 VAL Chi-restraints excluded: chain BK residue 529 HIS Chi-restraints excluded: chain BK residue 547 SER Chi-restraints excluded: chain BK residue 571 ASP Chi-restraints excluded: chain BK residue 572 VAL Chi-restraints excluded: chain BK residue 589 THR Chi-restraints excluded: chain BK residue 598 THR Chi-restraints excluded: chain BK residue 601 VAL Chi-restraints excluded: chain BK residue 612 TYR Chi-restraints excluded: chain BK residue 627 LEU Chi-restraints excluded: chain BK residue 631 LEU Chi-restraints excluded: chain BK residue 637 VAL Chi-restraints excluded: chain BK residue 639 ASN Chi-restraints excluded: chain BK residue 642 LEU Chi-restraints excluded: chain BK residue 667 ASP Chi-restraints excluded: chain BK residue 688 THR Chi-restraints excluded: chain BK residue 748 LEU Chi-restraints excluded: chain BK residue 749 VAL Chi-restraints excluded: chain BK residue 751 VAL Chi-restraints excluded: chain BK residue 775 LEU Chi-restraints excluded: chain BK residue 778 THR Chi-restraints excluded: chain BK residue 785 SER Chi-restraints excluded: chain BK residue 789 LEU Chi-restraints excluded: chain BK residue 875 THR Chi-restraints excluded: chain BQ residue 15 SER Chi-restraints excluded: chain BQ residue 32 MET Chi-restraints excluded: chain BQ residue 71 LEU Chi-restraints excluded: chain BQ residue 117 ASN Chi-restraints excluded: chain BQ residue 124 ILE Chi-restraints excluded: chain BQ residue 128 VAL Chi-restraints excluded: chain BQ residue 142 LEU Chi-restraints excluded: chain BQ residue 144 VAL Chi-restraints excluded: chain BQ residue 183 HIS Chi-restraints excluded: chain BQ residue 206 ASP Chi-restraints excluded: chain BQ residue 251 THR Chi-restraints excluded: chain BQ residue 284 SER Chi-restraints excluded: chain BQ residue 289 LEU Chi-restraints excluded: chain BQ residue 354 LEU Chi-restraints excluded: chain BQ residue 379 VAL Chi-restraints excluded: chain BQ residue 381 SER Chi-restraints excluded: chain BQ residue 400 GLU Chi-restraints excluded: chain BQ residue 428 ARG Chi-restraints excluded: chain BQ residue 438 THR Chi-restraints excluded: chain BQ residue 442 LEU Chi-restraints excluded: chain BN residue 101 ILE Chi-restraints excluded: chain BN residue 128 VAL Chi-restraints excluded: chain BN residue 150 VAL Chi-restraints excluded: chain BN residue 151 GLU Chi-restraints excluded: chain BN residue 163 LEU Chi-restraints excluded: chain BN residue 168 THR Chi-restraints excluded: chain BN residue 171 SER Chi-restraints excluded: chain BN residue 212 HIS Chi-restraints excluded: chain BN residue 222 ASP Chi-restraints excluded: chain BN residue 309 ASP Chi-restraints excluded: chain BE residue 102 VAL Chi-restraints excluded: chain BO residue 63 GLN Chi-restraints excluded: chain BO residue 64 VAL Chi-restraints excluded: chain BO residue 70 ASP Chi-restraints excluded: chain BO residue 72 THR Chi-restraints excluded: chain BO residue 75 LYS Chi-restraints excluded: chain BO residue 79 LEU Chi-restraints excluded: chain BO residue 90 HIS Chi-restraints excluded: chain BO residue 92 ARG Chi-restraints excluded: chain BO residue 93 VAL Chi-restraints excluded: chain BO residue 125 ILE Chi-restraints excluded: chain BO residue 132 THR Chi-restraints excluded: chain BO residue 136 THR Chi-restraints excluded: chain BO residue 154 ILE Chi-restraints excluded: chain BO residue 162 LEU Chi-restraints excluded: chain At residue 25 ASP Chi-restraints excluded: chain At residue 27 VAL Chi-restraints excluded: chain At residue 53 THR Chi-restraints excluded: chain At residue 63 THR Chi-restraints excluded: chain At residue 84 LEU Chi-restraints excluded: chain At residue 104 ARG Chi-restraints excluded: chain At residue 131 ARG Chi-restraints excluded: chain At residue 168 SER Chi-restraints excluded: chain At residue 172 THR Chi-restraints excluded: chain Au residue 118 VAL Chi-restraints excluded: chain Au residue 134 MET Chi-restraints excluded: chain Au residue 141 VAL Chi-restraints excluded: chain Au residue 165 LYS Chi-restraints excluded: chain Au residue 171 SER Chi-restraints excluded: chain Au residue 180 ASP Chi-restraints excluded: chain Ae residue 16 LEU Chi-restraints excluded: chain Ae residue 67 ARG Chi-restraints excluded: chain Ae residue 96 GLU Chi-restraints excluded: chain Ae residue 100 LEU Chi-restraints excluded: chain Ae residue 127 VAL Chi-restraints excluded: chain Ae residue 155 THR Chi-restraints excluded: chain Ae residue 179 GLU Chi-restraints excluded: chain Ae residue 182 THR Chi-restraints excluded: chain Ae residue 184 THR Chi-restraints excluded: chain Ae residue 254 ASP Chi-restraints excluded: chain Ae residue 255 LEU Chi-restraints excluded: chain Ae residue 276 VAL Chi-restraints excluded: chain Ae residue 278 ASN Chi-restraints excluded: chain Af residue 43 ILE Chi-restraints excluded: chain Af residue 74 ASP Chi-restraints excluded: chain Af residue 79 SER Chi-restraints excluded: chain Af residue 94 VAL Chi-restraints excluded: chain Af residue 116 VAL Chi-restraints excluded: chain Af residue 141 SER Chi-restraints excluded: chain Af residue 143 ASP Chi-restraints excluded: chain Af residue 144 THR Chi-restraints excluded: chain Af residue 153 SER Chi-restraints excluded: chain Ah residue 57 VAL Chi-restraints excluded: chain Ah residue 139 THR Chi-restraints excluded: chain Ah residue 146 MET Chi-restraints excluded: chain Ah residue 196 VAL Chi-restraints excluded: chain Ah residue 238 ARG Chi-restraints excluded: chain Ah residue 242 LEU Chi-restraints excluded: chain Ah residue 251 VAL Chi-restraints excluded: chain Ah residue 256 VAL Chi-restraints excluded: chain Ah residue 271 GLN Chi-restraints excluded: chain Ah residue 280 ILE Chi-restraints excluded: chain Ah residue 330 VAL Chi-restraints excluded: chain Ah residue 336 ASP Chi-restraints excluded: chain Ah residue 369 VAL Chi-restraints excluded: chain Ah residue 404 HIS Chi-restraints excluded: chain Ah residue 409 THR Chi-restraints excluded: chain Ah residue 458 VAL Chi-restraints excluded: chain Ap residue 13 VAL Chi-restraints excluded: chain Ap residue 22 ASN Chi-restraints excluded: chain Ap residue 49 LYS Chi-restraints excluded: chain Ap residue 51 VAL Chi-restraints excluded: chain Ap residue 70 ASN Chi-restraints excluded: chain Ap residue 136 VAL Chi-restraints excluded: chain Ap residue 157 THR Chi-restraints excluded: chain Ap residue 170 ASP Chi-restraints excluded: chain Ap residue 178 LEU Chi-restraints excluded: chain Ap residue 186 THR Chi-restraints excluded: chain Ap residue 200 TYR Chi-restraints excluded: chain Ap residue 207 ASN Chi-restraints excluded: chain Ap residue 211 ASN Chi-restraints excluded: chain Al residue 85 GLU Chi-restraints excluded: chain Al residue 87 GLU Chi-restraints excluded: chain Al residue 98 GLN Chi-restraints excluded: chain Al residue 106 VAL Chi-restraints excluded: chain Al residue 114 LEU Chi-restraints excluded: chain Al residue 116 ASN Chi-restraints excluded: chain Al residue 132 SER Chi-restraints excluded: chain Al residue 150 VAL Chi-restraints excluded: chain Al residue 159 THR Chi-restraints excluded: chain Al residue 178 THR Chi-restraints excluded: chain Al residue 187 ASP Chi-restraints excluded: chain Al residue 192 LEU Chi-restraints excluded: chain Al residue 193 ILE Chi-restraints excluded: chain Al residue 237 GLU Chi-restraints excluded: chain Al residue 240 LEU Chi-restraints excluded: chain Al residue 245 VAL Chi-restraints excluded: chain Al residue 257 GLU Chi-restraints excluded: chain Al residue 264 VAL Chi-restraints excluded: chain Al residue 298 ASN Chi-restraints excluded: chain Ab residue 8 CYS Chi-restraints excluded: chain Ab residue 20 LYS Chi-restraints excluded: chain Ab residue 47 ILE Chi-restraints excluded: chain Ab residue 57 ILE Chi-restraints excluded: chain Ab residue 83 PHE Chi-restraints excluded: chain Ab residue 87 VAL Chi-restraints excluded: chain Ab residue 112 THR Chi-restraints excluded: chain Ab residue 138 THR Chi-restraints excluded: chain Aa residue 48 VAL Chi-restraints excluded: chain Aa residue 85 SER Chi-restraints excluded: chain Aa residue 88 THR Chi-restraints excluded: chain Aa residue 96 ARG Chi-restraints excluded: chain Aa residue 102 ASP Chi-restraints excluded: chain Aa residue 132 SER Chi-restraints excluded: chain Aa residue 169 ILE Chi-restraints excluded: chain BP residue -37 THR Chi-restraints excluded: chain BP residue -33 SER Chi-restraints excluded: chain BP residue -4 THR Chi-restraints excluded: chain BP residue -3 HIS Chi-restraints excluded: chain BP residue -2 ILE Chi-restraints excluded: chain BP residue 3 HIS Chi-restraints excluded: chain BP residue 4 HIS Chi-restraints excluded: chain BP residue 10 TYR Chi-restraints excluded: chain BP residue 35 LYS Chi-restraints excluded: chain BP residue 72 THR Chi-restraints excluded: chain Az residue 26 LEU Chi-restraints excluded: chain Az residue 74 ASN Chi-restraints excluded: chain Az residue 85 ASN Chi-restraints excluded: chain Az residue 94 ASP Chi-restraints excluded: chain Az residue 113 VAL Chi-restraints excluded: chain Az residue 117 MET Chi-restraints excluded: chain Az residue 129 ASP Chi-restraints excluded: chain Az residue 139 SER Chi-restraints excluded: chain Am residue 50 ARG Chi-restraints excluded: chain Am residue 80 ASP Chi-restraints excluded: chain Am residue 140 TYR Chi-restraints excluded: chain Am residue 183 VAL Chi-restraints excluded: chain Am residue 212 MET Chi-restraints excluded: chain Am residue 247 GLU Chi-restraints excluded: chain Am residue 270 ILE Chi-restraints excluded: chain Am residue 279 GLN Chi-restraints excluded: chain Am residue 325 PHE Chi-restraints excluded: chain As residue 52 VAL Chi-restraints excluded: chain As residue 71 THR Chi-restraints excluded: chain As residue 86 THR Chi-restraints excluded: chain As residue 123 VAL Chi-restraints excluded: chain As residue 124 VAL Chi-restraints excluded: chain As residue 182 THR Chi-restraints excluded: chain As residue 186 LEU Chi-restraints excluded: chain BG residue 1273 SER Chi-restraints excluded: chain BG residue 1282 THR Chi-restraints excluded: chain BG residue 1295 THR Chi-restraints excluded: chain BG residue 1314 ASP Chi-restraints excluded: chain BG residue 1323 LEU Chi-restraints excluded: chain Ad residue 24 TYR Chi-restraints excluded: chain Ad residue 41 LEU Chi-restraints excluded: chain Ad residue 46 ILE Chi-restraints excluded: chain Ad residue 52 THR Chi-restraints excluded: chain Ad residue 77 LEU Chi-restraints excluded: chain Ad residue 138 VAL Chi-restraints excluded: chain Aw residue 6 VAL Chi-restraints excluded: chain Aw residue 53 VAL Chi-restraints excluded: chain Aw residue 55 ASP Chi-restraints excluded: chain Aw residue 121 GLU Chi-restraints excluded: chain Aw residue 159 VAL Chi-restraints excluded: chain BH residue 28 VAL Chi-restraints excluded: chain BH residue 56 SER Chi-restraints excluded: chain BH residue 113 ASP Chi-restraints excluded: chain BH residue 127 THR Chi-restraints excluded: chain BH residue 132 HIS Chi-restraints excluded: chain BH residue 157 VAL Chi-restraints excluded: chain BH residue 159 VAL Chi-restraints excluded: chain Aj residue 275 MET Chi-restraints excluded: chain Aj residue 308 THR Chi-restraints excluded: chain Aj residue 309 VAL Chi-restraints excluded: chain Aj residue 330 LEU Chi-restraints excluded: chain Aj residue 359 VAL Chi-restraints excluded: chain Aj residue 373 PHE Chi-restraints excluded: chain Aj residue 386 VAL Chi-restraints excluded: chain Aj residue 421 VAL Chi-restraints excluded: chain Aj residue 422 LEU Chi-restraints excluded: chain Aj residue 453 ILE Chi-restraints excluded: chain Aj residue 463 VAL Chi-restraints excluded: chain Aj residue 467 VAL Chi-restraints excluded: chain Aj residue 470 MET Chi-restraints excluded: chain Aj residue 484 MET Chi-restraints excluded: chain Ar residue 20 ILE Chi-restraints excluded: chain Ar residue 23 ILE Chi-restraints excluded: chain Ar residue 39 GLU Chi-restraints excluded: chain Ar residue 42 ILE Chi-restraints excluded: chain Ar residue 73 ASP Chi-restraints excluded: chain Ar residue 74 SER Chi-restraints excluded: chain Ar residue 77 TYR Chi-restraints excluded: chain Ar residue 106 THR Chi-restraints excluded: chain Ar residue 169 LEU Chi-restraints excluded: chain Ar residue 186 ASN Chi-restraints excluded: chain Ar residue 196 ARG Chi-restraints excluded: chain An residue 93 VAL Chi-restraints excluded: chain An residue 98 ARG Chi-restraints excluded: chain An residue 113 VAL Chi-restraints excluded: chain An residue 134 PHE Chi-restraints excluded: chain An residue 167 VAL Chi-restraints excluded: chain An residue 189 VAL Chi-restraints excluded: chain An residue 193 THR Chi-restraints excluded: chain An residue 196 LEU Chi-restraints excluded: chain An residue 214 VAL Chi-restraints excluded: chain An residue 265 ASP Chi-restraints excluded: chain An residue 274 GLU Chi-restraints excluded: chain BF residue 46 VAL Chi-restraints excluded: chain Av residue 90 ILE Chi-restraints excluded: chain Av residue 96 ASP Chi-restraints excluded: chain BM residue 8 CYS Chi-restraints excluded: chain BM residue 28 VAL Chi-restraints excluded: chain BM residue 49 VAL Chi-restraints excluded: chain BM residue 72 TYR Chi-restraints excluded: chain BM residue 109 THR Chi-restraints excluded: chain BM residue 122 LEU Chi-restraints excluded: chain BM residue 129 LEU Chi-restraints excluded: chain BM residue 134 LYS Chi-restraints excluded: chain BM residue 138 VAL Chi-restraints excluded: chain BM residue 192 LEU Chi-restraints excluded: chain BM residue 216 GLN Chi-restraints excluded: chain BM residue 233 VAL Chi-restraints excluded: chain BM residue 241 VAL Chi-restraints excluded: chain BM residue 245 TYR Chi-restraints excluded: chain BM residue 252 VAL Chi-restraints excluded: chain BM residue 266 TRP Chi-restraints excluded: chain BM residue 286 TYR Chi-restraints excluded: chain BM residue 305 ASP Chi-restraints excluded: chain BM residue 308 THR Chi-restraints excluded: chain BM residue 311 CYS Chi-restraints excluded: chain BM residue 326 TYR Chi-restraints excluded: chain BM residue 327 LEU Chi-restraints excluded: chain BM residue 329 THR Chi-restraints excluded: chain BM residue 333 ILE Chi-restraints excluded: chain BM residue 343 VAL Chi-restraints excluded: chain BM residue 361 LEU Chi-restraints excluded: chain Ag residue 50 SER Chi-restraints excluded: chain Ag residue 56 SER Chi-restraints excluded: chain Ag residue 97 CYS Chi-restraints excluded: chain Ag residue 99 VAL Chi-restraints excluded: chain Ag residue 119 THR Chi-restraints excluded: chain Bl residue 104 ARG Chi-restraints excluded: chain Bl residue 154 VAL Chi-restraints excluded: chain Bl residue 160 VAL Chi-restraints excluded: chain Bl residue 166 VAL Chi-restraints excluded: chain Bl residue 176 ILE Chi-restraints excluded: chain Bl residue 193 ASP Chi-restraints excluded: chain Bl residue 258 VAL Chi-restraints excluded: chain Ax residue 51 SER Chi-restraints excluded: chain Ax residue 55 VAL Chi-restraints excluded: chain Ax residue 59 HIS Chi-restraints excluded: chain Ax residue 94 ASP Chi-restraints excluded: chain Ax residue 154 HIS Chi-restraints excluded: chain Ax residue 168 SER Chi-restraints excluded: chain Ax residue 169 CYS Chi-restraints excluded: chain BS residue 299 VAL Chi-restraints excluded: chain BS residue 303 ILE Chi-restraints excluded: chain BS residue 320 VAL Chi-restraints excluded: chain BS residue 359 SER Chi-restraints excluded: chain BS residue 380 TYR Chi-restraints excluded: chain BS residue 382 ASP Chi-restraints excluded: chain BS residue 399 ILE Chi-restraints excluded: chain BY residue 129 VAL Chi-restraints excluded: chain BY residue 130 GLU Chi-restraints excluded: chain BY residue 139 LEU Chi-restraints excluded: chain BY residue 145 THR Chi-restraints excluded: chain BY residue 156 VAL Chi-restraints excluded: chain BY residue 158 VAL Chi-restraints excluded: chain BY residue 165 TYR Chi-restraints excluded: chain BY residue 191 LEU Chi-restraints excluded: chain BY residue 201 VAL Chi-restraints excluded: chain BY residue 225 ASP Chi-restraints excluded: chain BY residue 306 VAL Chi-restraints excluded: chain BY residue 325 SER Chi-restraints excluded: chain BY residue 351 PHE Chi-restraints excluded: chain BX residue 78 VAL Chi-restraints excluded: chain BX residue 80 ASP Chi-restraints excluded: chain BX residue 113 MET Chi-restraints excluded: chain BX residue 145 THR Chi-restraints excluded: chain BX residue 147 VAL Chi-restraints excluded: chain BX residue 150 VAL Chi-restraints excluded: chain BX residue 163 ASP Chi-restraints excluded: chain BX residue 215 ASP Chi-restraints excluded: chain BX residue 239 HIS Chi-restraints excluded: chain BX residue 242 THR Chi-restraints excluded: chain BX residue 248 THR Chi-restraints excluded: chain BX residue 260 LEU Chi-restraints excluded: chain BX residue 270 LEU Chi-restraints excluded: chain BX residue 273 LEU Chi-restraints excluded: chain BX residue 295 PHE Chi-restraints excluded: chain BX residue 317 VAL Chi-restraints excluded: chain BX residue 341 SER Chi-restraints excluded: chain BZ residue 61 THR Chi-restraints excluded: chain BZ residue 65 PHE Chi-restraints excluded: chain BZ residue 80 TRP Chi-restraints excluded: chain BZ residue 94 ILE Chi-restraints excluded: chain BZ residue 97 TYR Chi-restraints excluded: chain BZ residue 98 ARG Chi-restraints excluded: chain BZ residue 100 ASN Chi-restraints excluded: chain BZ residue 107 ARG Chi-restraints excluded: chain BZ residue 109 THR Chi-restraints excluded: chain BZ residue 115 ASP Chi-restraints excluded: chain BZ residue 118 VAL Chi-restraints excluded: chain BZ residue 120 VAL Chi-restraints excluded: chain BZ residue 125 PHE Chi-restraints excluded: chain BZ residue 189 HIS Chi-restraints excluded: chain BZ residue 198 ASP Chi-restraints excluded: chain BZ residue 214 CYS Chi-restraints excluded: chain BZ residue 227 LEU Chi-restraints excluded: chain BZ residue 232 ASN Chi-restraints excluded: chain BZ residue 266 ILE Chi-restraints excluded: chain BZ residue 286 THR Chi-restraints excluded: chain BZ residue 311 ILE Chi-restraints excluded: chain BZ residue 317 THR Chi-restraints excluded: chain BZ residue 345 SER Chi-restraints excluded: chain BZ residue 347 PHE Chi-restraints excluded: chain CC residue 70 ASP Chi-restraints excluded: chain CC residue 73 ASP Chi-restraints excluded: chain CC residue 100 VAL Chi-restraints excluded: chain CC residue 110 VAL Chi-restraints excluded: chain CC residue 114 VAL Chi-restraints excluded: chain CD residue 37 ASN Chi-restraints excluded: chain CD residue 60 THR Chi-restraints excluded: chain CD residue 80 VAL Chi-restraints excluded: chain CD residue 94 GLU Chi-restraints excluded: chain CD residue 103 SER Chi-restraints excluded: chain BT residue 71 ASP Chi-restraints excluded: chain BT residue 143 VAL Chi-restraints excluded: chain BT residue 178 THR Chi-restraints excluded: chain BT residue 193 ARG Chi-restraints excluded: chain BT residue 205 VAL Chi-restraints excluded: chain BT residue 220 LEU Chi-restraints excluded: chain BT residue 229 TYR Chi-restraints excluded: chain BT residue 235 THR Chi-restraints excluded: chain BT residue 236 LEU Chi-restraints excluded: chain BT residue 265 MET Chi-restraints excluded: chain BT residue 266 VAL Chi-restraints excluded: chain BT residue 273 ILE Chi-restraints excluded: chain BT residue 275 VAL Chi-restraints excluded: chain BT residue 289 LEU Chi-restraints excluded: chain BT residue 298 ASP Chi-restraints excluded: chain BT residue 305 GLU Chi-restraints excluded: chain BT residue 343 VAL Chi-restraints excluded: chain BU residue 36 ARG Chi-restraints excluded: chain BU residue 42 SER Chi-restraints excluded: chain BU residue 60 ILE Chi-restraints excluded: chain BU residue 63 ASP Chi-restraints excluded: chain BU residue 78 LEU Chi-restraints excluded: chain BU residue 103 THR Chi-restraints excluded: chain BU residue 111 ILE Chi-restraints excluded: chain BU residue 231 VAL Chi-restraints excluded: chain BU residue 242 THR Chi-restraints excluded: chain BU residue 263 THR Chi-restraints excluded: chain BU residue 271 CYS Chi-restraints excluded: chain BU residue 273 TYR Chi-restraints excluded: chain BU residue 274 LYS Chi-restraints excluded: chain BU residue 277 LYS Chi-restraints excluded: chain BU residue 282 ASP Chi-restraints excluded: chain BU residue 283 THR Chi-restraints excluded: chain BU residue 298 LEU Chi-restraints excluded: chain BU residue 309 ILE Chi-restraints excluded: chain BU residue 315 VAL Chi-restraints excluded: chain BU residue 345 VAL Chi-restraints excluded: chain BU residue 355 LEU Chi-restraints excluded: chain BU residue 358 SER Chi-restraints excluded: chain BU residue 386 HIS Chi-restraints excluded: chain BU residue 421 LEU Chi-restraints excluded: chain BU residue 427 ILE Chi-restraints excluded: chain BU residue 434 VAL Chi-restraints excluded: chain BU residue 448 LEU Chi-restraints excluded: chain BU residue 481 VAL Chi-restraints excluded: chain BW residue 100 SER Chi-restraints excluded: chain BW residue 113 ASP Chi-restraints excluded: chain BW residue 169 LEU Chi-restraints excluded: chain BW residue 206 LEU Chi-restraints excluded: chain BW residue 207 GLN Chi-restraints excluded: chain BW residue 223 CYS Chi-restraints excluded: chain BW residue 234 LEU Chi-restraints excluded: chain BW residue 241 THR Chi-restraints excluded: chain BW residue 245 VAL Chi-restraints excluded: chain BW residue 249 ASP Chi-restraints excluded: chain BW residue 253 ILE Chi-restraints excluded: chain BW residue 257 LEU Chi-restraints excluded: chain BW residue 265 GLU Chi-restraints excluded: chain BW residue 503 PHE Chi-restraints excluded: chain BW residue 519 THR Chi-restraints excluded: chain BW residue 558 ASN Chi-restraints excluded: chain BW residue 565 VAL Chi-restraints excluded: chain BW residue 574 VAL Chi-restraints excluded: chain BW residue 591 SER Chi-restraints excluded: chain BW residue 598 ARG Chi-restraints excluded: chain BW residue 613 GLN Chi-restraints excluded: chain BW residue 625 LYS Chi-restraints excluded: chain BW residue 639 ASP Chi-restraints excluded: chain BW residue 650 THR Chi-restraints excluded: chain BW residue 660 TYR Chi-restraints excluded: chain BV residue 105 LYS Chi-restraints excluded: chain BV residue 118 LEU Chi-restraints excluded: chain BV residue 140 ASN Chi-restraints excluded: chain BV residue 153 TYR Chi-restraints excluded: chain BV residue 156 TRP Chi-restraints excluded: chain BV residue 174 ILE Chi-restraints excluded: chain BV residue 226 LEU Chi-restraints excluded: chain BV residue 227 THR Chi-restraints excluded: chain BV residue 269 ARG Chi-restraints excluded: chain BV residue 296 LEU Chi-restraints excluded: chain BV residue 303 LEU Chi-restraints excluded: chain BV residue 323 THR Chi-restraints excluded: chain BR residue 47 PHE Chi-restraints excluded: chain BR residue 69 THR Chi-restraints excluded: chain BR residue 131 THR Chi-restraints excluded: chain BR residue 270 GLU Chi-restraints excluded: chain BR residue 271 ASP Chi-restraints excluded: chain BR residue 278 ARG 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: 5.9990 chunk 303 optimal weight: 0.8980 chunk 901 optimal weight: 1.9990 chunk 379 optimal weight: 0.2980 chunk 1537 optimal weight: 10.0000 chunk 1276 optimal weight: 7.9990 chunk 711 optimal weight: 1.9990 chunk 127 optimal weight: 9.9990 chunk 508 optimal weight: 50.0000 chunk 807 optimal weight: 9.9990 overall best weight: 1.2384 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: B 153 ASN ** B 169 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 107 GLN C 142 ASN C 151 GLN F 32 GLN ** G 199 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 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 113 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** L 149 ASN N 55 GLN N 235 GLN O 52 ASN O 169 GLN ** O 193 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 282 GLN ** 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 R 286 GLN ** S 256 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 312 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** S 384 HIS T 69 GLN ** V 38 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 91 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** CA 85 HIS ** CA 221 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** CA 276 ASN CA 329 ASN ** CA 470 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 644 HIS ** BQ 183 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BN 157 GLN ** 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** Au 157 GLN Ae 54 ASN ** Ae 197 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Af 20 HIS Ah 247 HIS ** Ah 271 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ah 346 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ap 71 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ap 81 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Ap 87 GLN Al 121 HIS Aa 112 HIS ** Aa 154 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Aa 172 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BP 6 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BP 49 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Az 25 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Az 39 ASN ** 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 149 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Aj 439 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Aj 450 ASN Ar 105 ASN Ar 164 HIS ** 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** ** BF 103 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** Ag 53 ASN ** Ag 130 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Bl 148 ASN ** BY 239 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** BY 278 GLN BY 324 GLN ** BZ 100 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BZ 269 HIS ** 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 ** BU 59 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BU 246 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BW 537 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** BV 120 ASN BV 137 GLN ** BR 71 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 41 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7364 moved from start: 0.2964 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= 0.357 Angle : 0.697 27.907 200058 Z= 0.350 Chirality : 0.043 0.833 22406 Planarity : 0.005 0.149 23035 Dihedral : 20.135 179.855 29986 Min Nonbonded Distance : 1.365 Molprobity Statistics. All-atom Clashscore : 17.22 Ramachandran Plot: Outliers : 0.16 % Allowed : 10.38 % Favored : 89.46 % Rotamer: Outliers : 6.76 % Allowed : 26.78 % Favored : 66.46 % Cbeta Deviations : 0.01 % Peptide Plane: Cis-proline : 0.43 % Cis-general : 0.08 % Twisted Proline : 0.33 % Twisted General : 0.05 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -3.19 (0.06), residues: 15214 helix: -1.71 (0.07), residues: 5466 sheet: -2.37 (0.14), residues: 1097 loop : -2.42 (0.06), residues: 8651 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.032 0.001 TRPAx 146 HIS 0.031 0.001 HIS S 384 PHE 0.058 0.001 PHEBU 64 TYR 0.031 0.001 TYR A 54 ARG 0.045 0.000 ARGAw 81 *********************** 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 2987 residues out of total 12517 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 846 poor density : 2141 time to evaluate : 11.028 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: A 165 LYS cc_start: 0.8261 (OUTLIER) cc_final: 0.7944 (pttt) REVERT: A 167 SER cc_start: 0.8797 (p) cc_final: 0.8496 (p) REVERT: A 346 GLU cc_start: 0.6137 (OUTLIER) cc_final: 0.5431 (pm20) REVERT: B 191 MET cc_start: 0.8290 (tpp) cc_final: 0.7835 (tpt) REVERT: C 67 ASN cc_start: 0.7629 (m110) cc_final: 0.7393 (m-40) REVERT: C 159 GLU cc_start: 0.7283 (mm-30) cc_final: 0.7037 (mm-30) REVERT: F 87 LEU cc_start: 0.8795 (mt) cc_final: 0.8585 (mt) REVERT: G 216 MET cc_start: 0.7462 (mmm) cc_final: 0.7186 (mmm) REVERT: G 228 TYR cc_start: 0.7258 (OUTLIER) cc_final: 0.6725 (p90) REVERT: I 117 TYR cc_start: 0.7501 (m-10) cc_final: 0.7104 (m-10) REVERT: I 154 ARG cc_start: 0.7665 (ttp80) cc_final: 0.7423 (ttp80) REVERT: I 262 MET cc_start: 0.4535 (mmm) cc_final: 0.3967 (mmm) REVERT: J 5 GLU cc_start: 0.7308 (OUTLIER) cc_final: 0.6990 (tm-30) REVERT: J 6 ARG cc_start: 0.8206 (OUTLIER) cc_final: 0.7269 (ttt180) REVERT: J 71 ILE cc_start: 0.8205 (OUTLIER) cc_final: 0.7705 (mm) REVERT: K 63 ARG cc_start: 0.8664 (OUTLIER) cc_final: 0.8283 (ptp-110) REVERT: K 88 ASN cc_start: 0.8104 (t0) cc_final: 0.7287 (t0) REVERT: M 40 ARG cc_start: 0.8164 (OUTLIER) cc_final: 0.7918 (ttt180) REVERT: M 210 ASP cc_start: 0.7373 (m-30) cc_final: 0.7122 (m-30) REVERT: N 50 ARG cc_start: 0.7899 (OUTLIER) cc_final: 0.7562 (ptt180) REVERT: N 61 ARG cc_start: 0.6461 (OUTLIER) cc_final: 0.4435 (pmt-80) REVERT: N 174 MET cc_start: 0.8737 (mtp) cc_final: 0.8294 (mtm) REVERT: O 26 MET cc_start: 0.6688 (tpp) cc_final: 0.6238 (tpp) REVERT: O 92 GLU cc_start: 0.6991 (tt0) cc_final: 0.6600 (tt0) REVERT: O 130 GLU cc_start: 0.6918 (OUTLIER) cc_final: 0.6321 (pp20) REVERT: O 238 LEU cc_start: 0.5282 (OUTLIER) cc_final: 0.4639 (pp) REVERT: Q 21 ARG cc_start: 0.5269 (OUTLIER) cc_final: 0.4087 (mtt-85) REVERT: Q 74 ASP cc_start: 0.8026 (p0) cc_final: 0.7788 (p0) REVERT: Q 96 TYR cc_start: 0.7819 (OUTLIER) cc_final: 0.7572 (m-80) REVERT: R 434 LEU cc_start: 0.7987 (tp) cc_final: 0.7741 (mp) REVERT: S 272 GLU cc_start: 0.7598 (mp0) cc_final: 0.7040 (mp0) REVERT: S 285 MET cc_start: 0.8970 (ttp) cc_final: 0.8610 (ptm) REVERT: S 377 LYS cc_start: 0.8121 (OUTLIER) cc_final: 0.7883 (mmtm) REVERT: T 55 GLU cc_start: 0.6714 (pt0) cc_final: 0.6467 (pt0) REVERT: T 76 GLU cc_start: 0.6555 (mm-30) cc_final: 0.6146 (mm-30) REVERT: Z 58 ASP cc_start: 0.8152 (p0) cc_final: 0.7913 (p0) REVERT: Z 80 ARG cc_start: 0.8120 (OUTLIER) cc_final: 0.7542 (mtt90) REVERT: Z 98 TRP cc_start: 0.7276 (t-100) cc_final: 0.6860 (t-100) REVERT: CA 202 VAL cc_start: 0.8128 (t) cc_final: 0.7768 (t) REVERT: CA 285 ILE cc_start: 0.7560 (OUTLIER) cc_final: 0.7284 (mp) REVERT: CA 380 MET cc_start: 0.8692 (tpp) cc_final: 0.7453 (mmm) REVERT: CA 426 ILE cc_start: 0.7103 (OUTLIER) cc_final: 0.6116 (tp) REVERT: BB 33 ARG cc_start: 0.7768 (OUTLIER) cc_final: 0.7001 (ttp-110) REVERT: BB 37 ARG cc_start: 0.7204 (OUTLIER) cc_final: 0.6620 (mtt-85) REVERT: BB 40 ARG cc_start: 0.6426 (OUTLIER) cc_final: 0.5107 (ttm-80) REVERT: CB 155 MET cc_start: 0.7237 (ttm) cc_final: 0.7035 (ttm) REVERT: BK 244 TYR cc_start: 0.8464 (p90) cc_final: 0.8225 (p90) REVERT: BK 439 ASP cc_start: 0.7206 (OUTLIER) cc_final: 0.6871 (p0) REVERT: BK 627 LEU cc_start: 0.7348 (OUTLIER) cc_final: 0.6992 (tp) REVERT: BK 631 LEU cc_start: 0.8300 (OUTLIER) cc_final: 0.7955 (tt) REVERT: BQ 71 LEU cc_start: 0.8192 (OUTLIER) cc_final: 0.7976 (mt) REVERT: BQ 354 LEU cc_start: 0.5624 (OUTLIER) cc_final: 0.5295 (tp) REVERT: BQ 400 GLU cc_start: 0.7366 (OUTLIER) cc_final: 0.6501 (pm20) REVERT: BN 309 ASP cc_start: 0.7617 (OUTLIER) cc_final: 0.7026 (p0) REVERT: BO 165 ARG cc_start: 0.7361 (ttt-90) cc_final: 0.7123 (ttt90) REVERT: At 131 ARG cc_start: 0.7526 (OUTLIER) cc_final: 0.7287 (ptp-170) REVERT: Ae 95 ARG cc_start: 0.7990 (OUTLIER) cc_final: 0.7756 (tpp80) REVERT: Af 68 SER cc_start: 0.8405 (p) cc_final: 0.7859 (m) REVERT: Ah 172 LYS cc_start: 0.4419 (tttt) cc_final: 0.4111 (tttt) REVERT: Ah 315 LYS cc_start: 0.7396 (mttt) cc_final: 0.7131 (ttpt) REVERT: Ah 366 MET cc_start: 0.5677 (ptm) cc_final: 0.5173 (ptm) REVERT: Ah 384 GLN cc_start: 0.7320 (mt0) cc_final: 0.7118 (mt0) REVERT: Ah 407 MET cc_start: 0.7185 (mmt) cc_final: 0.6922 (mmt) REVERT: Ah 409 THR cc_start: 0.7718 (OUTLIER) cc_final: 0.7500 (p) REVERT: Ap 196 MET cc_start: 0.7838 (tpt) cc_final: 0.7141 (tpt) REVERT: Ap 222 ARG cc_start: 0.4358 (ttt-90) cc_final: 0.3886 (mmt180) REVERT: Al 87 GLU cc_start: 0.8555 (OUTLIER) cc_final: 0.8143 (pm20) REVERT: Al 271 GLU cc_start: 0.7479 (tm-30) cc_final: 0.7202 (tm-30) REVERT: Al 301 ARG cc_start: 0.7755 (ptp90) cc_final: 0.7443 (ptm160) REVERT: Aa 91 LEU cc_start: 0.8947 (OUTLIER) cc_final: 0.8493 (pp) REVERT: Aa 102 ASP cc_start: 0.7378 (OUTLIER) cc_final: 0.7156 (p0) REVERT: BP -4 THR cc_start: 0.8315 (OUTLIER) cc_final: 0.8035 (t) REVERT: BP -2 ILE cc_start: 0.8298 (OUTLIER) cc_final: 0.7645 (tp) REVERT: BP 4 HIS cc_start: 0.8154 (OUTLIER) cc_final: 0.7655 (m-70) REVERT: Az 85 ASN cc_start: 0.7301 (OUTLIER) cc_final: 0.6986 (p0) REVERT: Az 129 ASP cc_start: 0.7640 (OUTLIER) cc_final: 0.7073 (m-30) REVERT: Am 50 ARG cc_start: 0.8000 (OUTLIER) cc_final: 0.7587 (ptm-80) REVERT: Am 166 LEU cc_start: 0.8409 (OUTLIER) cc_final: 0.8044 (mm) REVERT: Am 247 GLU cc_start: 0.5639 (OUTLIER) cc_final: 0.5349 (pp20) REVERT: Am 288 LYS cc_start: 0.7175 (mmtp) cc_final: 0.5497 (ttpt) REVERT: Am 309 MET cc_start: 0.8465 (mmt) cc_final: 0.8183 (mmp) REVERT: As 65 GLU cc_start: 0.6163 (mm-30) cc_final: 0.5922 (mm-30) REVERT: As 159 ARG cc_start: 0.4740 (mmt180) cc_final: 0.3675 (tpp-160) REVERT: BG 1311 LYS cc_start: 0.6740 (mptt) cc_final: 0.6181 (ttmt) REVERT: Ad 181 PHE cc_start: 0.8758 (m-80) cc_final: 0.8484 (m-80) REVERT: BH 28 VAL cc_start: 0.8146 (OUTLIER) cc_final: 0.7918 (t) REVERT: BH 71 GLN cc_start: 0.8334 (mt0) cc_final: 0.8062 (mt0) REVERT: BH 113 ASP cc_start: 0.7312 (OUTLIER) cc_final: 0.6935 (p0) REVERT: BH 132 HIS cc_start: 0.7575 (OUTLIER) cc_final: 0.7306 (p-80) REVERT: Aj 275 MET cc_start: 0.7669 (mtp) cc_final: 0.7388 (mtp) REVERT: Aj 422 LEU cc_start: 0.8357 (OUTLIER) cc_final: 0.8080 (pp) REVERT: Aj 453 ILE cc_start: 0.7069 (OUTLIER) cc_final: 0.6749 (mt) REVERT: Ar 196 ARG cc_start: 0.6954 (OUTLIER) cc_final: 0.6269 (ttt90) REVERT: An 93 VAL cc_start: 0.7549 (OUTLIER) cc_final: 0.7262 (t) REVERT: An 98 ARG cc_start: 0.6937 (OUTLIER) cc_final: 0.6704 (ptt90) REVERT: An 122 GLN cc_start: 0.6630 (tt0) cc_final: 0.6401 (tt0) REVERT: An 134 PHE cc_start: 0.2741 (OUTLIER) cc_final: 0.2204 (p90) REVERT: An 229 THR cc_start: 0.7441 (t) cc_final: 0.7064 (p) REVERT: BM 43 TYR cc_start: 0.4358 (t80) cc_final: 0.3476 (m-80) REVERT: BM 72 TYR cc_start: 0.6590 (OUTLIER) cc_final: 0.5379 (m-80) REVERT: BM 261 PHE cc_start: 0.6936 (t80) cc_final: 0.6538 (t80) REVERT: BM 286 TYR cc_start: 0.5600 (OUTLIER) cc_final: 0.4387 (t80) REVERT: BM 290 HIS cc_start: 0.6018 (m-70) cc_final: 0.5223 (m-70) REVERT: BM 326 TYR cc_start: 0.5175 (OUTLIER) cc_final: 0.4841 (t80) REVERT: Bl 164 ASP cc_start: 0.5794 (p0) cc_final: 0.5469 (p0) REVERT: Bl 195 MET cc_start: 0.7227 (tmm) cc_final: 0.6807 (tmm) REVERT: Ax 146 TRP cc_start: 0.6894 (t-100) cc_final: 0.6294 (m100) REVERT: Ax 154 HIS cc_start: 0.6805 (OUTLIER) cc_final: 0.6456 (t70) REVERT: Ax 173 ARG cc_start: 0.1636 (mtt180) cc_final: 0.1142 (mmm160) REVERT: Ax 175 ILE cc_start: 0.6242 (tp) cc_final: 0.5943 (pt) REVERT: Ax 180 ARG cc_start: 0.5097 (tpp-160) cc_final: 0.4890 (ttt-90) REVERT: Ax 205 ARG cc_start: 0.3243 (mmm160) cc_final: 0.3028 (ttt180) REVERT: Ax 208 MET cc_start: 0.7178 (ppp) cc_final: 0.6867 (ppp) REVERT: BS 290 ARG cc_start: 0.5677 (mmp-170) cc_final: 0.4899 (mmt180) REVERT: BS 408 GLN cc_start: 0.7360 (mt0) cc_final: 0.6865 (pm20) REVERT: BY 130 GLU cc_start: 0.3429 (OUTLIER) cc_final: 0.2563 (tt0) REVERT: BY 138 PHE cc_start: 0.5366 (t80) cc_final: 0.3913 (t80) REVERT: BY 191 LEU cc_start: 0.7083 (OUTLIER) cc_final: 0.6537 (tt) REVERT: BY 212 TYR cc_start: 0.5631 (m-80) cc_final: 0.5388 (m-80) REVERT: BX 222 HIS cc_start: 0.6712 (m-70) cc_final: 0.6288 (m-70) REVERT: BX 278 GLN cc_start: 0.6964 (mm110) cc_final: 0.6492 (mp10) REVERT: BZ 98 ARG cc_start: 0.7994 (OUTLIER) cc_final: 0.7476 (ttm170) REVERT: BZ 107 ARG cc_start: 0.8004 (OUTLIER) cc_final: 0.5737 (mmp-170) REVERT: BZ 194 MET cc_start: 0.6884 (ttp) cc_final: 0.5328 (tpp) REVERT: CC 71 LYS cc_start: 0.7494 (tmtt) cc_final: 0.6887 (mmpt) REVERT: CC 92 LYS cc_start: 0.5418 (ttpt) cc_final: 0.4951 (mptt) REVERT: CD 37 ASN cc_start: 0.7556 (OUTLIER) cc_final: 0.6740 (m-40) REVERT: CD 44 GLU cc_start: 0.7724 (mm-30) cc_final: 0.7298 (mm-30) REVERT: CD 79 LEU cc_start: 0.7397 (mt) cc_final: 0.7125 (mt) REVERT: CD 113 LYS cc_start: 0.8283 (tppp) cc_final: 0.7886 (tppp) REVERT: BT 139 TRP cc_start: 0.6958 (m-90) cc_final: 0.5947 (p-90) REVERT: BT 193 ARG cc_start: 0.2402 (OUTLIER) cc_final: 0.2033 (mpt-90) REVERT: BT 200 ARG cc_start: 0.3484 (mmm160) cc_final: 0.3181 (ttp-110) REVERT: BT 215 MET cc_start: 0.2836 (tpp) cc_final: 0.0911 (ptp) REVERT: BT 229 TYR cc_start: 0.7195 (OUTLIER) cc_final: 0.6403 (m-10) REVERT: BU 130 TYR cc_start: 0.7582 (t80) cc_final: 0.7093 (t80) REVERT: BU 152 GLU cc_start: 0.7660 (mp0) cc_final: 0.7351 (mp0) REVERT: BU 175 LYS cc_start: 0.8208 (mttp) cc_final: 0.8006 (tptt) REVERT: BU 216 MET cc_start: 0.6476 (tmm) cc_final: 0.6215 (tmm) REVERT: BU 288 ARG cc_start: 0.6002 (mmp-170) cc_final: 0.5778 (mmp80) REVERT: BU 300 ARG cc_start: 0.6670 (mmt90) cc_final: 0.6057 (mmt180) REVERT: BU 340 GLU cc_start: 0.6958 (mm-30) cc_final: 0.6634 (mm-30) REVERT: BW 108 LYS cc_start: 0.4628 (mmtt) cc_final: 0.1769 (tptt) REVERT: BW 113 ASP cc_start: 0.7776 (OUTLIER) cc_final: 0.6893 (t0) REVERT: BW 169 LEU cc_start: 0.7833 (OUTLIER) cc_final: 0.7539 (tp) REVERT: BW 206 LEU cc_start: 0.8942 (OUTLIER) cc_final: 0.8678 (mp) REVERT: BW 503 PHE cc_start: 0.7416 (OUTLIER) cc_final: 0.6963 (t80) REVERT: BW 598 ARG cc_start: 0.8662 (OUTLIER) cc_final: 0.8181 (mtp180) REVERT: BW 625 LYS cc_start: 0.8259 (OUTLIER) cc_final: 0.7725 (ttpp) REVERT: BV 140 ASN cc_start: 0.6441 (OUTLIER) cc_final: 0.5835 (m-40) REVERT: BV 153 TYR cc_start: 0.4182 (OUTLIER) cc_final: 0.3770 (p90) REVERT: BV 156 TRP cc_start: 0.5451 (OUTLIER) cc_final: 0.5174 (m-10) REVERT: BV 164 ARG cc_start: 0.5806 (mmm-85) cc_final: 0.5369 (mmt180) REVERT: BV 192 TRP cc_start: 0.7508 (t60) cc_final: 0.7204 (t60) REVERT: BV 204 PHE cc_start: 0.5915 (OUTLIER) cc_final: 0.5638 (t80) REVERT: BV 269 ARG cc_start: 0.2827 (OUTLIER) cc_final: 0.2538 (ttm170) REVERT: BV 285 TYR cc_start: 0.7607 (m-10) cc_final: 0.6859 (m-80) outliers start: 846 outliers final: 581 residues processed: 2788 average time/residue: 1.2179 time to fit residues: 5918.9816 Evaluate side-chains 2559 residues out of total 12517 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 654 poor density : 1905 time to evaluate : 10.946 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 40 SER Chi-restraints excluded: chain A residue 112 TYR Chi-restraints excluded: chain A residue 165 LYS Chi-restraints excluded: chain A residue 185 VAL Chi-restraints excluded: chain A residue 214 VAL Chi-restraints excluded: chain A residue 237 VAL Chi-restraints excluded: chain A residue 255 HIS Chi-restraints excluded: chain A residue 257 PHE Chi-restraints excluded: chain A residue 262 VAL Chi-restraints excluded: chain A residue 275 CYS Chi-restraints excluded: chain A residue 316 ILE Chi-restraints excluded: chain A residue 334 ASP Chi-restraints excluded: chain A residue 346 GLU Chi-restraints excluded: chain A residue 350 THR Chi-restraints excluded: chain A residue 381 MET Chi-restraints excluded: chain B residue 18 VAL Chi-restraints excluded: chain B residue 28 VAL Chi-restraints excluded: chain B residue 42 ASN Chi-restraints excluded: chain B residue 55 SER Chi-restraints excluded: chain B residue 70 LEU Chi-restraints excluded: chain B residue 80 VAL Chi-restraints excluded: chain B residue 94 VAL Chi-restraints excluded: chain B residue 97 LEU Chi-restraints excluded: chain B residue 104 THR Chi-restraints excluded: chain B residue 181 VAL Chi-restraints excluded: chain B residue 190 THR Chi-restraints excluded: chain B residue 203 LEU Chi-restraints excluded: chain B residue 220 THR Chi-restraints excluded: chain B residue 242 HIS Chi-restraints excluded: chain B residue 257 THR Chi-restraints excluded: chain B residue 262 TYR Chi-restraints excluded: chain B residue 263 ASP Chi-restraints excluded: chain B residue 273 ASN Chi-restraints excluded: chain B residue 286 ASP Chi-restraints excluded: chain B residue 334 LEU Chi-restraints excluded: chain B residue 337 GLU Chi-restraints excluded: chain B residue 345 LEU Chi-restraints excluded: chain C residue 18 HIS Chi-restraints excluded: chain C residue 55 MET Chi-restraints excluded: chain C residue 59 THR Chi-restraints excluded: chain C residue 88 THR Chi-restraints excluded: chain C residue 99 LEU Chi-restraints excluded: chain C residue 118 LEU Chi-restraints excluded: chain C residue 136 THR Chi-restraints excluded: chain C residue 149 LEU Chi-restraints excluded: chain C residue 151 GLN Chi-restraints excluded: chain C residue 158 THR Chi-restraints excluded: chain C residue 178 ILE Chi-restraints excluded: chain C residue 213 ASP Chi-restraints excluded: chain E residue 24 ASN Chi-restraints excluded: chain E residue 44 PHE Chi-restraints excluded: chain E residue 64 THR Chi-restraints excluded: chain E residue 121 THR Chi-restraints excluded: chain E residue 139 VAL Chi-restraints excluded: chain E residue 167 LYS Chi-restraints excluded: chain E residue 180 VAL Chi-restraints excluded: chain E residue 181 VAL Chi-restraints excluded: chain E residue 197 VAL Chi-restraints excluded: chain E residue 214 SER Chi-restraints excluded: chain F residue 4 GLN Chi-restraints excluded: chain F residue 76 THR Chi-restraints excluded: chain F residue 98 VAL Chi-restraints excluded: chain F residue 104 LYS Chi-restraints excluded: chain F residue 105 ASP Chi-restraints excluded: chain F residue 129 GLU Chi-restraints excluded: chain F residue 132 VAL Chi-restraints excluded: chain G residue 34 LEU Chi-restraints excluded: chain G residue 50 ASP Chi-restraints excluded: chain G residue 90 ILE Chi-restraints excluded: chain G residue 98 THR Chi-restraints excluded: chain G residue 100 THR Chi-restraints excluded: chain G residue 104 VAL Chi-restraints excluded: chain G residue 113 ILE Chi-restraints excluded: chain G residue 208 ASP Chi-restraints excluded: chain G residue 217 VAL Chi-restraints excluded: chain G residue 226 VAL Chi-restraints excluded: chain G residue 228 TYR Chi-restraints excluded: chain G residue 269 GLU Chi-restraints excluded: chain G residue 321 ILE Chi-restraints excluded: chain I residue 34 THR Chi-restraints excluded: chain I residue 44 LEU Chi-restraints excluded: chain I residue 186 PHE Chi-restraints excluded: chain I residue 227 LEU Chi-restraints excluded: chain I residue 247 ASP Chi-restraints excluded: chain I residue 263 LEU Chi-restraints excluded: chain J residue 5 GLU Chi-restraints excluded: chain J residue 6 ARG Chi-restraints excluded: chain J residue 19 PHE Chi-restraints excluded: chain J residue 20 PHE Chi-restraints excluded: chain J residue 37 ILE Chi-restraints excluded: chain J residue 66 ARG Chi-restraints excluded: chain J residue 71 ILE Chi-restraints excluded: chain J residue 73 THR Chi-restraints excluded: chain J residue 76 ASP Chi-restraints excluded: chain J residue 82 THR Chi-restraints excluded: chain J residue 84 ILE Chi-restraints excluded: chain J residue 88 LEU Chi-restraints excluded: chain J residue 90 VAL Chi-restraints excluded: chain K residue 14 THR Chi-restraints excluded: chain K residue 40 THR Chi-restraints excluded: chain K residue 63 ARG Chi-restraints excluded: chain K residue 84 LEU Chi-restraints excluded: chain K residue 89 LEU Chi-restraints excluded: chain K residue 132 GLU Chi-restraints excluded: chain K residue 175 THR Chi-restraints excluded: chain L residue 38 ASP Chi-restraints excluded: chain L residue 44 ARG Chi-restraints excluded: chain L residue 53 ILE Chi-restraints excluded: chain L residue 77 VAL Chi-restraints excluded: chain L residue 79 VAL Chi-restraints excluded: chain L residue 91 ASN Chi-restraints excluded: chain L residue 92 VAL Chi-restraints excluded: chain L residue 93 VAL Chi-restraints excluded: chain L residue 94 SER Chi-restraints excluded: chain L residue 98 THR Chi-restraints excluded: chain L residue 118 ILE Chi-restraints excluded: chain L residue 127 VAL Chi-restraints excluded: chain L residue 149 ASN Chi-restraints excluded: chain L residue 151 VAL Chi-restraints excluded: chain L residue 159 ASP Chi-restraints excluded: chain L residue 160 LEU Chi-restraints excluded: chain M residue 40 ARG Chi-restraints excluded: chain M residue 57 THR Chi-restraints excluded: chain M residue 62 LEU Chi-restraints excluded: chain M residue 65 THR Chi-restraints excluded: chain M residue 105 VAL Chi-restraints excluded: chain M residue 152 VAL Chi-restraints excluded: chain M residue 174 MET Chi-restraints excluded: chain M residue 228 SER Chi-restraints excluded: chain M residue 241 MET Chi-restraints excluded: chain M residue 247 THR Chi-restraints excluded: chain M residue 249 ILE Chi-restraints excluded: chain M residue 256 THR Chi-restraints excluded: chain N residue 50 ARG Chi-restraints excluded: chain N residue 52 LEU Chi-restraints excluded: chain N residue 55 GLN Chi-restraints excluded: chain N residue 61 ARG Chi-restraints excluded: chain N residue 73 THR Chi-restraints excluded: chain N residue 123 HIS Chi-restraints excluded: chain N residue 149 VAL Chi-restraints excluded: chain N residue 153 LEU Chi-restraints excluded: chain N residue 154 VAL Chi-restraints excluded: chain N residue 155 LEU Chi-restraints excluded: chain N residue 158 VAL Chi-restraints excluded: chain N residue 190 ASP Chi-restraints excluded: chain N residue 195 ILE Chi-restraints excluded: chain N residue 212 ILE Chi-restraints excluded: chain N residue 223 VAL Chi-restraints excluded: chain N residue 229 VAL Chi-restraints excluded: chain O residue 54 LEU Chi-restraints excluded: chain O residue 56 LEU Chi-restraints excluded: chain O residue 67 ILE Chi-restraints excluded: chain O residue 87 ILE Chi-restraints excluded: chain O residue 98 ASP Chi-restraints excluded: chain O residue 100 THR Chi-restraints excluded: chain O residue 130 GLU Chi-restraints excluded: chain O residue 175 ASP Chi-restraints excluded: chain O residue 218 VAL Chi-restraints excluded: chain O residue 238 LEU Chi-restraints excluded: chain O residue 290 ASP Chi-restraints excluded: chain Q residue 21 ARG Chi-restraints excluded: chain Q residue 49 VAL Chi-restraints excluded: chain Q residue 84 GLU Chi-restraints excluded: chain Q residue 92 VAL Chi-restraints excluded: chain Q residue 96 TYR Chi-restraints excluded: chain Q residue 114 LEU Chi-restraints excluded: chain Q residue 157 ARG Chi-restraints excluded: chain R residue 44 LEU Chi-restraints excluded: chain R residue 62 SER Chi-restraints excluded: chain R residue 85 LYS Chi-restraints excluded: chain R residue 138 THR Chi-restraints excluded: chain R residue 149 VAL Chi-restraints excluded: chain R residue 150 ASP Chi-restraints excluded: chain R residue 163 VAL Chi-restraints excluded: chain R residue 256 HIS Chi-restraints excluded: chain R residue 258 VAL Chi-restraints excluded: chain R residue 283 ILE Chi-restraints excluded: chain R residue 296 ILE Chi-restraints excluded: chain R residue 332 VAL Chi-restraints excluded: chain R residue 353 ILE Chi-restraints excluded: chain R residue 393 LEU Chi-restraints excluded: chain R residue 475 VAL Chi-restraints excluded: chain S residue 262 CYS Chi-restraints excluded: chain S residue 274 ASN Chi-restraints excluded: chain S residue 290 VAL Chi-restraints excluded: chain S residue 347 VAL Chi-restraints excluded: chain S residue 349 ASN Chi-restraints excluded: chain S residue 377 LYS Chi-restraints excluded: chain S residue 384 HIS Chi-restraints excluded: chain T residue 34 ASN Chi-restraints excluded: chain T residue 52 LEU Chi-restraints excluded: chain T residue 65 GLU Chi-restraints excluded: chain T residue 78 CYS Chi-restraints excluded: chain V residue 38 GLN Chi-restraints excluded: chain V residue 39 VAL Chi-restraints excluded: chain V residue 62 MET Chi-restraints excluded: chain V residue 72 ASP Chi-restraints excluded: chain V residue 73 VAL Chi-restraints excluded: chain V residue 92 MET Chi-restraints excluded: chain V residue 113 THR Chi-restraints excluded: chain V residue 127 GLU Chi-restraints excluded: chain V residue 150 VAL Chi-restraints excluded: chain Z residue 80 ARG Chi-restraints excluded: chain Z residue 84 SER Chi-restraints excluded: chain Z residue 97 VAL Chi-restraints excluded: chain Z residue 131 TRP Chi-restraints excluded: chain Z residue 157 VAL Chi-restraints excluded: chain Z residue 160 GLN Chi-restraints excluded: chain BA residue 68 VAL Chi-restraints excluded: chain BA residue 112 GLU Chi-restraints excluded: chain BA residue 138 VAL Chi-restraints excluded: chain BA residue 142 SER Chi-restraints excluded: chain BA residue 147 SER Chi-restraints excluded: chain CA residue 88 GLU Chi-restraints excluded: chain CA residue 118 GLU Chi-restraints excluded: chain CA residue 137 SER Chi-restraints excluded: chain CA residue 166 LEU Chi-restraints excluded: chain CA residue 193 SER Chi-restraints excluded: chain CA residue 227 ASP Chi-restraints excluded: chain CA residue 241 VAL Chi-restraints excluded: chain CA residue 251 LEU Chi-restraints excluded: chain CA residue 275 ILE Chi-restraints excluded: chain CA residue 285 ILE Chi-restraints excluded: chain CA residue 291 PHE Chi-restraints excluded: chain CA residue 303 HIS Chi-restraints excluded: chain CA residue 416 ARG Chi-restraints excluded: chain CA residue 418 VAL Chi-restraints excluded: chain CA residue 425 ARG Chi-restraints excluded: chain CA residue 426 ILE Chi-restraints excluded: chain CA residue 437 VAL Chi-restraints excluded: chain CA residue 445 HIS Chi-restraints excluded: chain CA residue 446 TYR Chi-restraints excluded: chain CA residue 453 LEU Chi-restraints excluded: chain CA residue 471 SER Chi-restraints excluded: chain CA residue 477 PHE Chi-restraints excluded: chain CA residue 478 THR Chi-restraints excluded: chain CA residue 536 PHE Chi-restraints excluded: chain BB residue 33 ARG Chi-restraints excluded: chain BB residue 37 ARG Chi-restraints excluded: chain BB residue 40 ARG Chi-restraints excluded: chain CB residue 53 VAL Chi-restraints excluded: chain CB residue 75 GLU Chi-restraints excluded: chain CB residue 110 ILE Chi-restraints excluded: chain CB residue 114 LYS Chi-restraints excluded: chain CB residue 132 VAL Chi-restraints excluded: chain CB residue 133 ASN Chi-restraints excluded: chain CB residue 180 THR Chi-restraints excluded: chain BK residue 164 HIS Chi-restraints excluded: chain BK residue 203 THR Chi-restraints excluded: chain BK residue 212 LEU Chi-restraints excluded: chain BK residue 233 ILE Chi-restraints excluded: chain BK residue 289 LEU Chi-restraints excluded: chain BK residue 301 LEU Chi-restraints excluded: chain BK residue 318 VAL Chi-restraints excluded: chain BK residue 393 ASP Chi-restraints excluded: chain BK residue 402 TYR Chi-restraints excluded: chain BK residue 415 VAL Chi-restraints excluded: chain BK residue 428 LEU Chi-restraints excluded: chain BK residue 439 ASP Chi-restraints excluded: chain BK residue 466 LEU Chi-restraints excluded: chain BK residue 529 HIS Chi-restraints excluded: chain BK residue 547 SER Chi-restraints excluded: chain BK residue 571 ASP Chi-restraints excluded: chain BK residue 589 THR Chi-restraints excluded: chain BK residue 595 LEU Chi-restraints excluded: chain BK residue 601 VAL Chi-restraints excluded: chain BK residue 627 LEU Chi-restraints excluded: chain BK residue 631 LEU Chi-restraints excluded: chain BK residue 637 VAL Chi-restraints excluded: chain BK residue 639 ASN Chi-restraints excluded: chain BK residue 642 LEU Chi-restraints excluded: chain BK residue 646 SER Chi-restraints excluded: chain BK residue 667 ASP Chi-restraints excluded: chain BK residue 727 THR Chi-restraints excluded: chain BK residue 749 VAL Chi-restraints excluded: chain BK residue 785 SER Chi-restraints excluded: chain BK residue 789 LEU Chi-restraints excluded: chain BK residue 794 SER Chi-restraints excluded: chain BQ residue 15 SER Chi-restraints excluded: chain BQ residue 71 LEU Chi-restraints excluded: chain BQ residue 144 VAL Chi-restraints excluded: chain BQ residue 146 VAL Chi-restraints excluded: chain BQ residue 183 HIS Chi-restraints excluded: chain BQ residue 189 LEU Chi-restraints excluded: chain BQ residue 253 LYS Chi-restraints excluded: chain BQ residue 267 LEU Chi-restraints excluded: chain BQ residue 284 SER Chi-restraints excluded: chain BQ residue 289 LEU Chi-restraints excluded: chain BQ residue 328 THR Chi-restraints excluded: chain BQ residue 354 LEU Chi-restraints excluded: chain BQ residue 379 VAL Chi-restraints excluded: chain BQ residue 381 SER Chi-restraints excluded: chain BQ residue 400 GLU Chi-restraints excluded: chain BQ residue 425 VAL Chi-restraints excluded: chain BQ residue 428 ARG Chi-restraints excluded: chain BQ residue 438 THR Chi-restraints excluded: chain BQ residue 442 LEU Chi-restraints excluded: chain BN residue 101 ILE Chi-restraints excluded: chain BN residue 128 VAL Chi-restraints excluded: chain BN residue 143 LEU Chi-restraints excluded: chain BN residue 150 VAL Chi-restraints excluded: chain BN residue 151 GLU Chi-restraints excluded: chain BN residue 163 LEU Chi-restraints excluded: chain BN residue 171 SER Chi-restraints excluded: chain BN residue 212 HIS Chi-restraints excluded: chain BN residue 222 ASP Chi-restraints excluded: chain BN residue 309 ASP Chi-restraints excluded: chain BE residue 102 VAL Chi-restraints excluded: chain BO residue 43 TYR Chi-restraints excluded: chain BO residue 63 GLN Chi-restraints excluded: chain BO residue 70 ASP Chi-restraints excluded: chain BO residue 72 THR Chi-restraints excluded: chain BO residue 75 LYS Chi-restraints excluded: chain BO residue 90 HIS Chi-restraints excluded: chain BO residue 92 ARG Chi-restraints excluded: chain BO residue 125 ILE Chi-restraints excluded: chain BO residue 132 THR Chi-restraints excluded: chain BO residue 136 THR Chi-restraints excluded: chain At residue 25 ASP Chi-restraints excluded: chain At residue 27 VAL Chi-restraints excluded: chain At residue 53 THR Chi-restraints excluded: chain At residue 84 LEU Chi-restraints excluded: chain At residue 131 ARG Chi-restraints excluded: chain Au residue 118 VAL Chi-restraints excluded: chain Au residue 134 MET Chi-restraints excluded: chain Au residue 141 VAL Chi-restraints excluded: chain Au residue 165 LYS Chi-restraints excluded: chain Au residue 171 SER Chi-restraints excluded: chain Au residue 180 ASP Chi-restraints excluded: chain Ae residue 16 LEU Chi-restraints excluded: chain Ae residue 95 ARG Chi-restraints excluded: chain Ae residue 96 GLU Chi-restraints excluded: chain Ae residue 100 LEU Chi-restraints excluded: chain Ae residue 127 VAL Chi-restraints excluded: chain Ae residue 155 THR Chi-restraints excluded: chain Ae residue 179 GLU Chi-restraints excluded: chain Ae residue 184 THR Chi-restraints excluded: chain Ae residue 255 LEU Chi-restraints excluded: chain Ae residue 278 ASN Chi-restraints excluded: chain Af residue 43 ILE Chi-restraints excluded: chain Af residue 74 ASP Chi-restraints excluded: chain Af residue 79 SER Chi-restraints excluded: chain Af residue 94 VAL Chi-restraints excluded: chain Af residue 143 ASP Chi-restraints excluded: chain Af residue 144 THR Chi-restraints excluded: chain Ah residue 57 VAL Chi-restraints excluded: chain Ah residue 196 VAL Chi-restraints excluded: chain Ah residue 251 VAL Chi-restraints excluded: chain Ah residue 256 VAL Chi-restraints excluded: chain Ah residue 271 GLN Chi-restraints excluded: chain Ah residue 311 VAL Chi-restraints excluded: chain Ah residue 332 LEU Chi-restraints excluded: chain Ah residue 336 ASP Chi-restraints excluded: chain Ah residue 337 VAL Chi-restraints excluded: chain Ah residue 369 VAL Chi-restraints excluded: chain Ah residue 404 HIS Chi-restraints excluded: chain Ah residue 409 THR Chi-restraints excluded: chain Ah residue 451 MET Chi-restraints excluded: chain Ah residue 458 VAL Chi-restraints excluded: chain Ap residue 13 VAL Chi-restraints excluded: chain Ap residue 15 THR Chi-restraints excluded: chain Ap residue 22 ASN Chi-restraints excluded: chain Ap residue 46 PHE Chi-restraints excluded: chain Ap residue 51 VAL Chi-restraints excluded: chain Ap residue 70 ASN Chi-restraints excluded: chain Ap residue 136 VAL Chi-restraints excluded: chain Ap residue 155 THR Chi-restraints excluded: chain Ap residue 170 ASP Chi-restraints excluded: chain Ap residue 178 LEU Chi-restraints excluded: chain Ap residue 200 TYR Chi-restraints excluded: chain Ap residue 207 ASN Chi-restraints excluded: chain Ap residue 211 ASN Chi-restraints excluded: chain Al residue 85 GLU Chi-restraints excluded: chain Al residue 87 GLU Chi-restraints excluded: chain Al residue 114 LEU Chi-restraints excluded: chain Al residue 116 ASN Chi-restraints excluded: chain Al residue 132 SER Chi-restraints excluded: chain Al residue 150 VAL Chi-restraints excluded: chain Al residue 159 THR Chi-restraints excluded: chain Al residue 178 THR Chi-restraints excluded: chain Al residue 187 ASP Chi-restraints excluded: chain Al residue 192 LEU Chi-restraints excluded: chain Al residue 237 GLU Chi-restraints excluded: chain Al residue 264 VAL Chi-restraints excluded: chain Al residue 277 LEU Chi-restraints excluded: chain Al residue 298 ASN Chi-restraints excluded: chain Ab residue 20 LYS Chi-restraints excluded: chain Ab residue 47 ILE Chi-restraints excluded: chain Ab residue 61 TYR Chi-restraints excluded: chain Ab residue 83 PHE Chi-restraints excluded: chain Ab residue 112 THR Chi-restraints excluded: chain Ab residue 138 THR Chi-restraints excluded: chain Aa residue 48 VAL Chi-restraints excluded: chain Aa residue 91 LEU Chi-restraints excluded: chain Aa residue 102 ASP Chi-restraints excluded: chain Aa residue 132 SER Chi-restraints excluded: chain Aa residue 155 THR Chi-restraints excluded: chain Aa residue 169 ILE Chi-restraints excluded: chain BP residue -37 THR Chi-restraints excluded: chain BP residue -4 THR Chi-restraints excluded: chain BP residue -3 HIS Chi-restraints excluded: chain BP residue -2 ILE Chi-restraints excluded: chain BP residue 3 HIS Chi-restraints excluded: chain BP residue 4 HIS Chi-restraints excluded: chain BP residue 10 TYR Chi-restraints excluded: chain Az residue 26 LEU Chi-restraints excluded: chain Az residue 74 ASN Chi-restraints excluded: chain Az residue 85 ASN Chi-restraints excluded: chain Az residue 94 ASP Chi-restraints excluded: chain Az residue 113 VAL Chi-restraints excluded: chain Az residue 129 ASP Chi-restraints excluded: chain Az residue 139 SER Chi-restraints excluded: chain Am residue 50 ARG Chi-restraints excluded: chain Am residue 80 ASP Chi-restraints excluded: chain Am residue 140 TYR Chi-restraints excluded: chain Am residue 166 LEU Chi-restraints excluded: chain Am residue 183 VAL Chi-restraints excluded: chain Am residue 212 MET Chi-restraints excluded: chain Am residue 230 ASP Chi-restraints excluded: chain Am residue 247 GLU Chi-restraints excluded: chain Am residue 270 ILE Chi-restraints excluded: chain Am residue 325 PHE Chi-restraints excluded: chain As residue 52 VAL Chi-restraints excluded: chain As residue 71 THR Chi-restraints excluded: chain As residue 86 THR Chi-restraints excluded: chain As residue 123 VAL Chi-restraints excluded: chain As residue 124 VAL Chi-restraints excluded: chain BG residue 1273 SER Chi-restraints excluded: chain BG residue 1282 THR Chi-restraints excluded: chain BG residue 1295 THR Chi-restraints excluded: chain Ad residue 24 TYR Chi-restraints excluded: chain Ad residue 41 LEU Chi-restraints excluded: chain Ad residue 46 ILE Chi-restraints excluded: chain Ad residue 52 THR Chi-restraints excluded: chain Aw residue 6 VAL Chi-restraints excluded: chain Aw residue 53 VAL Chi-restraints excluded: chain Aw residue 55 ASP Chi-restraints excluded: chain Aw residue 99 GLN Chi-restraints excluded: chain Aw residue 120 MET Chi-restraints excluded: chain Aw residue 121 GLU Chi-restraints excluded: chain Aw residue 159 VAL Chi-restraints excluded: chain BH residue 28 VAL Chi-restraints excluded: chain BH residue 113 ASP Chi-restraints excluded: chain BH residue 132 HIS Chi-restraints excluded: chain BH residue 157 VAL Chi-restraints excluded: chain BH residue 159 VAL Chi-restraints excluded: chain BH residue 169 VAL Chi-restraints excluded: chain Aj residue 259 THR Chi-restraints excluded: chain Aj residue 284 LEU Chi-restraints excluded: chain Aj residue 309 VAL Chi-restraints excluded: chain Aj residue 330 LEU Chi-restraints excluded: chain Aj residue 359 VAL Chi-restraints excluded: chain Aj residue 383 VAL Chi-restraints excluded: chain Aj residue 386 VAL Chi-restraints excluded: chain Aj residue 421 VAL Chi-restraints excluded: chain Aj residue 422 LEU Chi-restraints excluded: chain Aj residue 453 ILE Chi-restraints excluded: chain Aj residue 467 VAL Chi-restraints excluded: chain Ar residue 20 ILE Chi-restraints excluded: chain Ar residue 39 GLU Chi-restraints excluded: chain Ar residue 73 ASP Chi-restraints excluded: chain Ar residue 74 SER Chi-restraints excluded: chain Ar residue 77 TYR Chi-restraints excluded: chain Ar residue 152 GLU Chi-restraints excluded: chain Ar residue 186 ASN Chi-restraints excluded: chain Ar residue 196 ARG Chi-restraints excluded: chain An residue 93 VAL Chi-restraints excluded: chain An residue 98 ARG Chi-restraints excluded: chain An residue 113 VAL Chi-restraints excluded: chain An residue 134 PHE Chi-restraints excluded: chain An residue 167 VAL Chi-restraints excluded: chain An residue 189 VAL Chi-restraints excluded: chain An residue 214 VAL Chi-restraints excluded: chain An residue 265 ASP Chi-restraints excluded: chain An residue 274 GLU Chi-restraints excluded: chain BF residue 46 VAL Chi-restraints excluded: chain Av residue 27 LEU Chi-restraints excluded: chain Av residue 90 ILE Chi-restraints excluded: chain Av residue 96 ASP Chi-restraints excluded: chain BM residue 3 VAL Chi-restraints excluded: chain BM residue 8 CYS Chi-restraints excluded: chain BM residue 28 VAL Chi-restraints excluded: chain BM residue 72 TYR Chi-restraints excluded: chain BM residue 109 THR Chi-restraints excluded: chain BM residue 138 VAL Chi-restraints excluded: chain BM residue 192 LEU Chi-restraints excluded: chain BM residue 233 VAL Chi-restraints excluded: chain BM residue 245 TYR Chi-restraints excluded: chain BM residue 252 VAL Chi-restraints excluded: chain BM residue 266 TRP Chi-restraints excluded: chain BM residue 286 TYR Chi-restraints excluded: chain BM residue 305 ASP Chi-restraints excluded: chain BM residue 308 THR Chi-restraints excluded: chain BM residue 311 CYS Chi-restraints excluded: chain BM residue 326 TYR Chi-restraints excluded: chain BM residue 327 LEU Chi-restraints excluded: chain BM residue 329 THR Chi-restraints excluded: chain BM residue 333 ILE Chi-restraints excluded: chain BM residue 343 VAL Chi-restraints excluded: chain BM residue 361 LEU Chi-restraints excluded: chain Ag residue 97 CYS Chi-restraints excluded: chain Ag residue 98 ASP Chi-restraints excluded: chain Ag residue 99 VAL Chi-restraints excluded: chain Ag residue 119 THR Chi-restraints excluded: chain Bl residue 154 VAL Chi-restraints excluded: chain Bl residue 160 VAL Chi-restraints excluded: chain Bl residue 166 VAL Chi-restraints excluded: chain Bl residue 176 ILE Chi-restraints excluded: chain Bl residue 193 ASP Chi-restraints excluded: chain Bl residue 207 LEU Chi-restraints excluded: chain Bl residue 258 VAL Chi-restraints excluded: chain Ax residue 55 VAL Chi-restraints excluded: chain Ax residue 57 THR Chi-restraints excluded: chain Ax residue 94 ASP Chi-restraints excluded: chain Ax residue 130 VAL Chi-restraints excluded: chain Ax residue 154 HIS Chi-restraints excluded: chain Ax residue 169 CYS Chi-restraints excluded: chain BS residue 299 VAL Chi-restraints excluded: chain BS residue 320 VAL Chi-restraints excluded: chain BS residue 380 TYR Chi-restraints excluded: chain BS residue 399 ILE Chi-restraints excluded: chain BY residue 129 VAL Chi-restraints excluded: chain BY residue 130 GLU Chi-restraints excluded: chain BY residue 139 LEU Chi-restraints excluded: chain BY residue 156 VAL Chi-restraints excluded: chain BY residue 165 TYR Chi-restraints excluded: chain BY residue 191 LEU Chi-restraints excluded: chain BY residue 217 ILE Chi-restraints excluded: chain BY residue 225 ASP Chi-restraints excluded: chain BY residue 306 VAL Chi-restraints excluded: chain BY residue 325 SER Chi-restraints excluded: chain BY residue 351 PHE Chi-restraints excluded: chain BX residue 145 THR Chi-restraints excluded: chain BX residue 163 ASP Chi-restraints excluded: chain BX residue 215 ASP Chi-restraints excluded: chain BX residue 242 THR Chi-restraints excluded: chain BX residue 260 LEU Chi-restraints excluded: chain BX residue 270 LEU Chi-restraints excluded: chain BX residue 295 PHE Chi-restraints excluded: chain BX residue 317 VAL Chi-restraints excluded: chain BX residue 341 SER Chi-restraints excluded: chain BX residue 347 LEU Chi-restraints excluded: chain BZ residue 61 THR Chi-restraints excluded: chain BZ residue 94 ILE Chi-restraints excluded: chain BZ residue 97 TYR Chi-restraints excluded: chain BZ residue 98 ARG Chi-restraints excluded: chain BZ residue 107 ARG Chi-restraints excluded: chain BZ residue 109 THR Chi-restraints excluded: chain BZ residue 115 ASP Chi-restraints excluded: chain BZ residue 118 VAL Chi-restraints excluded: chain BZ residue 120 VAL Chi-restraints excluded: chain BZ residue 125 PHE Chi-restraints excluded: chain BZ residue 189 HIS Chi-restraints excluded: chain BZ residue 198 ASP Chi-restraints excluded: chain BZ residue 214 CYS Chi-restraints excluded: chain BZ residue 227 LEU Chi-restraints excluded: chain BZ residue 256 VAL Chi-restraints excluded: chain BZ residue 266 ILE Chi-restraints excluded: chain BZ residue 286 THR Chi-restraints excluded: chain BZ residue 305 LEU Chi-restraints excluded: chain BZ residue 311 ILE Chi-restraints excluded: chain BZ residue 317 THR Chi-restraints excluded: chain BZ residue 345 SER Chi-restraints excluded: chain CC residue 70 ASP Chi-restraints excluded: chain CC residue 73 ASP Chi-restraints excluded: chain CC residue 100 VAL Chi-restraints excluded: chain CC residue 114 VAL Chi-restraints excluded: chain CD residue 37 ASN Chi-restraints excluded: chain CD residue 80 VAL Chi-restraints excluded: chain CD residue 94 GLU Chi-restraints excluded: chain CD residue 103 SER Chi-restraints excluded: chain BT residue 55 LEU Chi-restraints excluded: chain BT residue 178 THR Chi-restraints excluded: chain BT residue 193 ARG Chi-restraints excluded: chain BT residue 205 VAL Chi-restraints excluded: chain BT residue 220 LEU Chi-restraints excluded: chain BT residue 229 TYR Chi-restraints excluded: chain BT residue 235 THR Chi-restraints excluded: chain BT residue 236 LEU Chi-restraints excluded: chain BT residue 265 MET Chi-restraints excluded: chain BT residue 266 VAL Chi-restraints excluded: chain BT residue 273 ILE Chi-restraints excluded: chain BT residue 275 VAL Chi-restraints excluded: chain BT residue 289 LEU Chi-restraints excluded: chain BT residue 298 ASP Chi-restraints excluded: chain BT residue 305 GLU Chi-restraints excluded: chain BT residue 313 THR Chi-restraints excluded: chain BT residue 343 VAL Chi-restraints excluded: chain BU residue 36 ARG Chi-restraints excluded: chain BU residue 42 SER Chi-restraints excluded: chain BU residue 60 ILE Chi-restraints excluded: chain BU residue 63 ASP Chi-restraints excluded: chain BU residue 78 LEU Chi-restraints excluded: chain BU residue 103 THR Chi-restraints excluded: chain BU residue 111 ILE Chi-restraints excluded: chain BU residue 179 LEU Chi-restraints excluded: chain BU residue 231 VAL Chi-restraints excluded: chain BU residue 237 THR Chi-restraints excluded: chain BU residue 242 THR Chi-restraints excluded: chain BU residue 263 THR Chi-restraints excluded: chain BU residue 271 CYS Chi-restraints excluded: chain BU residue 274 LYS Chi-restraints excluded: chain BU residue 277 LYS Chi-restraints excluded: chain BU residue 282 ASP Chi-restraints excluded: chain BU residue 283 THR Chi-restraints excluded: chain BU residue 298 LEU Chi-restraints excluded: chain BU residue 315 VAL Chi-restraints excluded: chain BU residue 345 VAL Chi-restraints excluded: chain BU residue 355 LEU Chi-restraints excluded: chain BU residue 358 SER Chi-restraints excluded: chain BU residue 386 HIS Chi-restraints excluded: chain BU residue 421 LEU Chi-restraints excluded: chain BU residue 426 ILE Chi-restraints excluded: chain BU residue 427 ILE Chi-restraints excluded: chain BU residue 448 LEU Chi-restraints excluded: chain BU residue 458 SER Chi-restraints excluded: chain BU residue 481 VAL Chi-restraints excluded: chain BW residue 100 SER Chi-restraints excluded: chain BW residue 113 ASP Chi-restraints excluded: chain BW residue 169 LEU Chi-restraints excluded: chain BW residue 206 LEU Chi-restraints excluded: chain BW residue 234 LEU Chi-restraints excluded: chain BW residue 241 THR Chi-restraints excluded: chain BW residue 245 VAL Chi-restraints excluded: chain BW residue 249 ASP Chi-restraints excluded: chain BW residue 253 ILE Chi-restraints excluded: chain BW residue 257 LEU Chi-restraints excluded: chain BW residue 265 GLU Chi-restraints excluded: chain BW residue 503 PHE Chi-restraints excluded: chain BW residue 519 THR Chi-restraints excluded: chain BW residue 559 ILE Chi-restraints excluded: chain BW residue 574 VAL Chi-restraints excluded: chain BW residue 591 SER Chi-restraints excluded: chain BW residue 598 ARG Chi-restraints excluded: chain BW residue 613 GLN Chi-restraints excluded: chain BW residue 625 LYS Chi-restraints excluded: chain BW residue 639 ASP Chi-restraints excluded: chain BW residue 650 THR Chi-restraints excluded: chain BW residue 660 TYR Chi-restraints excluded: chain BV residue 118 LEU Chi-restraints excluded: chain BV residue 140 ASN Chi-restraints excluded: chain BV residue 153 TYR Chi-restraints excluded: chain BV residue 156 TRP Chi-restraints excluded: chain BV residue 174 ILE Chi-restraints excluded: chain BV residue 204 PHE Chi-restraints excluded: chain BV residue 226 LEU Chi-restraints excluded: chain BV residue 227 THR Chi-restraints excluded: chain BV residue 269 ARG Chi-restraints excluded: chain BV residue 296 LEU Chi-restraints excluded: chain BV residue 323 THR Chi-restraints excluded: chain BR residue 131 THR Chi-restraints excluded: chain BR residue 270 GLU Chi-restraints excluded: chain BR residue 271 ASP Chi-restraints excluded: chain BR residue 278 ARG Rotamers are restrained with sigma=2.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1589 random chunks: chunk 1482 optimal weight: 0.9990 chunk 173 optimal weight: 10.0000 chunk 875 optimal weight: 20.0000 chunk 1122 optimal weight: 0.9980 chunk 869 optimal weight: 6.9990 chunk 1294 optimal weight: 4.9990 chunk 858 optimal weight: 20.0000 chunk 1531 optimal weight: 10.0000 chunk 958 optimal weight: 3.9990 chunk 933 optimal weight: 10.0000 chunk 707 optimal weight: 1.9990 overall best weight: 2.5988 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** B 88 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 169 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 142 ASN F 32 GLN ** 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 120 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 242 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** J 17 ASN L 111 HIS L 149 ASN M 76 ASN O 169 GLN ** O 193 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 282 GLN ** 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 R 286 GLN ** S 256 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 312 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** S 384 HIS ** S 389 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** T 69 GLN ** V 38 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 91 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BA 125 ASN ** CA 85 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** CA 187 HIS ** CA 199 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** CA 221 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** CA 276 ASN ** CA 470 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 639 ASN ** BQ 183 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 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 119 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ae 54 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Af 20 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** ** Ap 71 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Ap 81 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Ap 87 GLN Ap 194 GLN Aa 154 ASN ** Aa 172 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** BP 6 HIS ** Az 25 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Am 106 HIS BG1260 ASN ** Ad 26 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Aw 19 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Aw 77 ASN ** BH 149 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BH 170 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Aj 439 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Ar 165 ASN ** An 211 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** BM 123 GLN ** 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** ** Ag 130 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BY 140 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BY 239 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** BY 278 GLN BX 140 HIS ** BZ 100 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BZ 248 ASN BZ 301 ASN ** BZ 349 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** BZ 372 GLN ** 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 246 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BU 465 GLN ** BW 537 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** BR 71 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 34 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7385 moved from start: 0.3109 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= 0.378 Angle : 0.709 27.857 200058 Z= 0.354 Chirality : 0.043 0.469 22406 Planarity : 0.005 0.144 23035 Dihedral : 20.014 179.605 29884 Min Nonbonded Distance : 1.366 Molprobity Statistics. All-atom Clashscore : 17.89 Ramachandran Plot: Outliers : 0.14 % Allowed : 10.85 % Favored : 89.01 % Rotamer: Outliers : 6.62 % Allowed : 27.19 % Favored : 66.19 % Cbeta Deviations : 0.01 % Peptide Plane: Cis-proline : 0.43 % Cis-general : 0.08 % Twisted Proline : 0.22 % Twisted General : 0.03 % 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: -3.03 (0.06), residues: 15214 helix: -1.54 (0.07), residues: 5465 sheet: -2.29 (0.14), residues: 1101 loop : -2.35 (0.07), residues: 8648 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.039 0.001 TRPAb 133 HIS 0.022 0.001 HISCD 53 PHE 0.027 0.002 PHEBK 200 TYR 0.039 0.001 TYRAw 149 ARG 0.045 0.000 ARGAw 81 *********************** 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 2813 residues out of total 12517 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 828 poor density : 1985 time to evaluate : 10.973 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: A 165 LYS cc_start: 0.8306 (OUTLIER) cc_final: 0.7966 (pttt) REVERT: A 167 SER cc_start: 0.8727 (p) cc_final: 0.8432 (p) REVERT: A 346 GLU cc_start: 0.6359 (OUTLIER) cc_final: 0.5744 (pm20) REVERT: B 191 MET cc_start: 0.8313 (tpp) cc_final: 0.7794 (tpt) REVERT: C 159 GLU cc_start: 0.7231 (mm-30) cc_final: 0.6963 (mm-30) REVERT: F 87 LEU cc_start: 0.8877 (mt) cc_final: 0.8643 (mt) REVERT: G 216 MET cc_start: 0.7473 (mmm) cc_final: 0.7191 (mmm) REVERT: G 228 TYR cc_start: 0.7296 (OUTLIER) cc_final: 0.6704 (p90) REVERT: I 117 TYR cc_start: 0.7585 (m-10) cc_final: 0.7114 (m-10) REVERT: I 139 MET cc_start: 0.6525 (mtt) cc_final: 0.6246 (mtt) REVERT: I 140 ASN cc_start: 0.6675 (t0) cc_final: 0.6451 (t0) REVERT: I 154 ARG cc_start: 0.7716 (ttp80) cc_final: 0.7432 (ttp80) REVERT: I 253 LYS cc_start: 0.8043 (tptp) cc_final: 0.7838 (tptp) REVERT: I 262 MET cc_start: 0.4516 (mmm) cc_final: 0.3961 (mmm) REVERT: J 6 ARG cc_start: 0.8230 (OUTLIER) cc_final: 0.7372 (ttt180) REVERT: J 38 LYS cc_start: 0.8788 (OUTLIER) cc_final: 0.7440 (tptt) REVERT: J 71 ILE cc_start: 0.8177 (OUTLIER) cc_final: 0.7652 (mm) REVERT: K 88 ASN cc_start: 0.8145 (t0) cc_final: 0.7316 (t0) REVERT: M 40 ARG cc_start: 0.8300 (OUTLIER) cc_final: 0.7927 (ttt180) REVERT: M 210 ASP cc_start: 0.7283 (m-30) cc_final: 0.7050 (m-30) REVERT: N 50 ARG cc_start: 0.7987 (OUTLIER) cc_final: 0.7622 (ptt180) REVERT: N 61 ARG cc_start: 0.6449 (OUTLIER) cc_final: 0.4424 (pmt-80) REVERT: N 174 MET cc_start: 0.8712 (mtp) cc_final: 0.8248 (mtm) REVERT: O 26 MET cc_start: 0.6562 (tpp) cc_final: 0.6115 (tpp) REVERT: O 92 GLU cc_start: 0.6984 (tt0) cc_final: 0.6618 (tt0) REVERT: O 130 GLU cc_start: 0.6960 (OUTLIER) cc_final: 0.6382 (pp20) REVERT: O 238 LEU cc_start: 0.5391 (OUTLIER) cc_final: 0.4726 (pp) REVERT: O 310 MET cc_start: 0.7074 (OUTLIER) cc_final: 0.6780 (tpt) REVERT: Q 21 ARG cc_start: 0.5616 (OUTLIER) cc_final: 0.4436 (mtt-85) REVERT: Q 74 ASP cc_start: 0.8080 (p0) cc_final: 0.7852 (p0) REVERT: R 434 LEU cc_start: 0.8034 (tp) cc_final: 0.7761 (mp) REVERT: S 272 GLU cc_start: 0.7644 (mp0) cc_final: 0.7146 (mp0) REVERT: S 285 MET cc_start: 0.8965 (ttp) cc_final: 0.8710 (ptm) REVERT: S 377 LYS cc_start: 0.8199 (OUTLIER) cc_final: 0.7936 (mmtm) REVERT: T 55 GLU cc_start: 0.6811 (pt0) cc_final: 0.6515 (pt0) REVERT: T 76 GLU cc_start: 0.6396 (mm-30) cc_final: 0.6018 (mm-30) REVERT: Z 58 ASP cc_start: 0.8158 (p0) cc_final: 0.7918 (p0) REVERT: Z 80 ARG cc_start: 0.8159 (OUTLIER) cc_final: 0.7871 (mtt90) REVERT: Z 98 TRP cc_start: 0.7354 (t-100) cc_final: 0.6881 (t-100) REVERT: BA 74 GLU cc_start: 0.7916 (tp30) cc_final: 0.7543 (tp30) REVERT: CA 285 ILE cc_start: 0.7659 (OUTLIER) cc_final: 0.7304 (mp) REVERT: CA 380 MET cc_start: 0.8692 (tpp) cc_final: 0.7561 (mmm) REVERT: CA 426 ILE cc_start: 0.7130 (OUTLIER) cc_final: 0.6161 (tp) REVERT: BB 33 ARG cc_start: 0.7845 (OUTLIER) cc_final: 0.7113 (ttp-110) REVERT: BB 37 ARG cc_start: 0.7123 (OUTLIER) cc_final: 0.6556 (mtt-85) REVERT: BB 40 ARG cc_start: 0.6430 (OUTLIER) cc_final: 0.5039 (ttm-80) REVERT: CB 83 MET cc_start: 0.7358 (OUTLIER) cc_final: 0.7027 (ptp) REVERT: CB 155 MET cc_start: 0.7318 (ttm) cc_final: 0.7035 (ttm) REVERT: BK 238 LEU cc_start: 0.8560 (OUTLIER) cc_final: 0.8273 (mt) REVERT: BK 244 TYR cc_start: 0.8458 (p90) cc_final: 0.8197 (p90) REVERT: BK 439 ASP cc_start: 0.7196 (OUTLIER) cc_final: 0.6806 (p0) REVERT: BK 631 LEU cc_start: 0.8250 (OUTLIER) cc_final: 0.7906 (tt) REVERT: BK 755 MET cc_start: 0.5568 (ptt) cc_final: 0.4856 (ptt) REVERT: BQ 354 LEU cc_start: 0.5784 (OUTLIER) cc_final: 0.5478 (tp) REVERT: BQ 400 GLU cc_start: 0.7302 (OUTLIER) cc_final: 0.6446 (pm20) REVERT: BN 309 ASP cc_start: 0.7685 (OUTLIER) cc_final: 0.7092 (p0) REVERT: BO 165 ARG cc_start: 0.7429 (ttt-90) cc_final: 0.7160 (ttt90) REVERT: At 131 ARG cc_start: 0.7536 (OUTLIER) cc_final: 0.7306 (ptp-170) REVERT: Ae 95 ARG cc_start: 0.7997 (OUTLIER) cc_final: 0.7751 (tpp80) REVERT: Af 68 SER cc_start: 0.8405 (p) cc_final: 0.7857 (m) REVERT: Ah 172 LYS cc_start: 0.4414 (tttt) cc_final: 0.4116 (tttt) REVERT: Ah 315 LYS cc_start: 0.7406 (mttt) cc_final: 0.7144 (ttpt) REVERT: Ah 366 MET cc_start: 0.5692 (ptm) cc_final: 0.5214 (ptm) REVERT: Ah 384 GLN cc_start: 0.7354 (mt0) cc_final: 0.7142 (mt0) REVERT: Ah 407 MET cc_start: 0.7274 (mmt) cc_final: 0.7002 (mmt) REVERT: Ap 40 PHE cc_start: 0.7804 (OUTLIER) cc_final: 0.7318 (t80) REVERT: Ap 194 GLN cc_start: 0.6982 (OUTLIER) cc_final: 0.6197 (mt0) REVERT: Ap 222 ARG cc_start: 0.4394 (ttt-90) cc_final: 0.2900 (tpp-160) REVERT: Al 87 GLU cc_start: 0.8630 (OUTLIER) cc_final: 0.8171 (pm20) REVERT: Al 301 ARG cc_start: 0.7867 (ptp90) cc_final: 0.7430 (ptm160) REVERT: Ab 141 GLU cc_start: 0.6233 (mt-10) cc_final: 0.5996 (mt-10) REVERT: Aa 91 LEU cc_start: 0.8992 (OUTLIER) cc_final: 0.8558 (pp) REVERT: Aa 102 ASP cc_start: 0.7462 (OUTLIER) cc_final: 0.6810 (p0) REVERT: Aa 135 MET cc_start: 0.7947 (OUTLIER) cc_final: 0.7603 (mmm) REVERT: BP -4 THR cc_start: 0.8367 (OUTLIER) cc_final: 0.8062 (t) REVERT: BP -2 ILE cc_start: 0.8283 (OUTLIER) cc_final: 0.7800 (tp) REVERT: Az 85 ASN cc_start: 0.7406 (OUTLIER) cc_final: 0.7082 (p0) REVERT: Az 129 ASP cc_start: 0.7654 (OUTLIER) cc_final: 0.7081 (m-30) REVERT: Am 50 ARG cc_start: 0.8044 (OUTLIER) cc_final: 0.7587 (ptm-80) REVERT: Am 166 LEU cc_start: 0.8478 (OUTLIER) cc_final: 0.8115 (mm) REVERT: Am 247 GLU cc_start: 0.5699 (OUTLIER) cc_final: 0.5376 (pp20) REVERT: Am 288 LYS cc_start: 0.7265 (mmtp) cc_final: 0.5549 (ttpt) REVERT: As 159 ARG cc_start: 0.4754 (mmt180) cc_final: 0.3695 (tpp-160) REVERT: BG 1311 LYS cc_start: 0.6599 (mptt) cc_final: 0.6193 (ttmt) REVERT: BG 1342 CYS cc_start: 0.5456 (p) cc_final: 0.5031 (p) REVERT: Ad 181 PHE cc_start: 0.8780 (m-80) cc_final: 0.8550 (m-80) REVERT: BH 28 VAL cc_start: 0.8198 (OUTLIER) cc_final: 0.7987 (t) REVERT: BH 71 GLN cc_start: 0.8412 (mt0) cc_final: 0.8200 (mt0) REVERT: BH 113 ASP cc_start: 0.7397 (OUTLIER) cc_final: 0.7160 (p0) REVERT: BH 132 HIS cc_start: 0.7590 (OUTLIER) cc_final: 0.7315 (p-80) REVERT: Aj 422 LEU cc_start: 0.8422 (OUTLIER) cc_final: 0.8124 (pp) REVERT: Aj 453 ILE cc_start: 0.7083 (OUTLIER) cc_final: 0.6762 (mt) REVERT: An 93 VAL cc_start: 0.7759 (OUTLIER) cc_final: 0.7424 (t) REVERT: An 129 LEU cc_start: 0.5317 (pp) cc_final: 0.5102 (tp) REVERT: An 222 GLU cc_start: 0.5295 (OUTLIER) cc_final: 0.4965 (pp20) REVERT: An 229 THR cc_start: 0.7339 (t) cc_final: 0.7010 (p) REVERT: BM 43 TYR cc_start: 0.4633 (t80) cc_final: 0.3748 (m-80) REVERT: BM 72 TYR cc_start: 0.6756 (OUTLIER) cc_final: 0.5646 (m-80) REVERT: BM 143 GLU cc_start: 0.6580 (tp30) cc_final: 0.6364 (tp30) REVERT: BM 261 PHE cc_start: 0.6956 (t80) cc_final: 0.6564 (t80) REVERT: BM 286 TYR cc_start: 0.5633 (OUTLIER) cc_final: 0.4403 (t80) REVERT: BM 326 TYR cc_start: 0.5235 (OUTLIER) cc_final: 0.4637 (t80) REVERT: Bl 164 ASP cc_start: 0.5928 (p0) cc_final: 0.5591 (p0) REVERT: Bl 195 MET cc_start: 0.7323 (tmm) cc_final: 0.6875 (tmm) REVERT: Ax 146 TRP cc_start: 0.6881 (t-100) cc_final: 0.6228 (m100) REVERT: Ax 154 HIS cc_start: 0.6699 (OUTLIER) cc_final: 0.6372 (t70) REVERT: Ax 173 ARG cc_start: 0.1867 (mtt180) cc_final: 0.1394 (mmm-85) REVERT: Ax 208 MET cc_start: 0.7158 (ppp) cc_final: 0.6855 (ppp) REVERT: BS 290 ARG cc_start: 0.5362 (mmp-170) cc_final: 0.4610 (mmt180) REVERT: BS 408 GLN cc_start: 0.7574 (OUTLIER) cc_final: 0.6765 (pm20) REVERT: BY 130 GLU cc_start: 0.3692 (OUTLIER) cc_final: 0.2830 (tt0) REVERT: BY 191 LEU cc_start: 0.7075 (OUTLIER) cc_final: 0.6562 (tt) REVERT: BX 222 HIS cc_start: 0.6545 (m-70) cc_final: 0.6264 (m-70) REVERT: BX 278 GLN cc_start: 0.6848 (mm110) cc_final: 0.6604 (mp10) REVERT: BZ 98 ARG cc_start: 0.8053 (OUTLIER) cc_final: 0.7562 (ttm170) REVERT: BZ 107 ARG cc_start: 0.8000 (OUTLIER) cc_final: 0.5622 (mmp-170) REVERT: BZ 194 MET cc_start: 0.6419 (ttp) cc_final: 0.5496 (tpp) REVERT: CC 71 LYS cc_start: 0.7509 (tmtt) cc_final: 0.6615 (mmpt) REVERT: CC 92 LYS cc_start: 0.5405 (ttpt) cc_final: 0.4946 (mptt) REVERT: CC 115 PHE cc_start: 0.7530 (OUTLIER) cc_final: 0.7190 (t80) REVERT: CD 37 ASN cc_start: 0.7409 (OUTLIER) cc_final: 0.6643 (m-40) REVERT: CD 49 GLU cc_start: 0.6588 (OUTLIER) cc_final: 0.6354 (pm20) REVERT: CD 113 LYS cc_start: 0.8299 (tppp) cc_final: 0.7907 (tppp) REVERT: BT 139 TRP cc_start: 0.6823 (m-90) cc_final: 0.5785 (p-90) REVERT: BT 193 ARG cc_start: 0.2374 (OUTLIER) cc_final: 0.2144 (mpt-90) REVERT: BT 200 ARG cc_start: 0.3674 (mmm160) cc_final: 0.3319 (ttp-110) REVERT: BT 215 MET cc_start: 0.2941 (tpp) cc_final: 0.1149 (ptp) REVERT: BT 229 TYR cc_start: 0.7173 (OUTLIER) cc_final: 0.6369 (m-10) REVERT: BU 130 TYR cc_start: 0.7566 (t80) cc_final: 0.7003 (t80) REVERT: BU 175 LYS cc_start: 0.8178 (mttp) cc_final: 0.7977 (tptt) REVERT: BU 216 MET cc_start: 0.6590 (OUTLIER) cc_final: 0.6354 (tmm) REVERT: BU 300 ARG cc_start: 0.6705 (mmt90) cc_final: 0.6078 (mmt180) REVERT: BU 340 GLU cc_start: 0.6983 (mm-30) cc_final: 0.6652 (mm-30) REVERT: BW 108 LYS cc_start: 0.4672 (mmtt) cc_final: 0.1793 (tptt) REVERT: BW 206 LEU cc_start: 0.8975 (OUTLIER) cc_final: 0.8701 (mp) REVERT: BW 265 GLU cc_start: 0.7593 (OUTLIER) cc_final: 0.7023 (tt0) REVERT: BW 503 PHE cc_start: 0.7427 (OUTLIER) cc_final: 0.6976 (t80) REVERT: BW 581 ASP cc_start: 0.7008 (OUTLIER) cc_final: 0.6582 (p0) REVERT: BW 598 ARG cc_start: 0.8627 (OUTLIER) cc_final: 0.8060 (mtp180) REVERT: BW 625 LYS cc_start: 0.8205 (OUTLIER) cc_final: 0.7374 (ttpp) REVERT: BW 654 ASN cc_start: 0.5544 (OUTLIER) cc_final: 0.4888 (p0) REVERT: BV 105 LYS cc_start: 0.7160 (pttp) cc_final: 0.6408 (mttm) REVERT: BV 140 ASN cc_start: 0.6475 (OUTLIER) cc_final: 0.5845 (m-40) REVERT: BV 153 TYR cc_start: 0.4119 (OUTLIER) cc_final: 0.3677 (p90) REVERT: BV 156 TRP cc_start: 0.5640 (OUTLIER) cc_final: 0.5343 (m-10) REVERT: BV 164 ARG cc_start: 0.5820 (mmm-85) cc_final: 0.5431 (mmt90) REVERT: BV 192 TRP cc_start: 0.7447 (t60) cc_final: 0.7162 (t60) REVERT: BV 269 ARG cc_start: 0.2893 (OUTLIER) cc_final: 0.2561 (ttm170) REVERT: BV 285 TYR cc_start: 0.7502 (m-10) cc_final: 0.6583 (m-80) REVERT: BR 56 ARG cc_start: 0.5981 (tpp-160) cc_final: 0.5618 (tpp80) outliers start: 828 outliers final: 639 residues processed: 2614 average time/residue: 1.1846 time to fit residues: 5413.9764 Evaluate side-chains 2615 residues out of total 12517 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 714 poor density : 1901 time to evaluate : 10.812 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 40 SER Chi-restraints excluded: chain A residue 49 MET Chi-restraints excluded: chain A residue 112 TYR Chi-restraints excluded: chain A residue 129 VAL Chi-restraints excluded: chain A residue 145 ASP Chi-restraints excluded: chain A residue 165 LYS Chi-restraints excluded: chain A residue 185 VAL Chi-restraints excluded: chain A residue 214 VAL Chi-restraints excluded: chain A residue 237 VAL Chi-restraints excluded: chain A residue 255 HIS Chi-restraints excluded: chain A residue 257 PHE Chi-restraints excluded: chain A residue 262 VAL Chi-restraints excluded: chain A residue 264 LEU Chi-restraints excluded: chain A residue 275 CYS Chi-restraints excluded: chain A residue 316 ILE Chi-restraints excluded: chain A residue 334 ASP Chi-restraints excluded: chain A residue 346 GLU Chi-restraints excluded: chain A residue 365 SER Chi-restraints excluded: chain A residue 381 MET Chi-restraints excluded: chain B residue 18 VAL Chi-restraints excluded: chain B residue 42 ASN Chi-restraints excluded: chain B residue 45 THR Chi-restraints excluded: chain B residue 55 SER Chi-restraints excluded: chain B residue 70 LEU Chi-restraints excluded: chain B residue 80 VAL Chi-restraints excluded: chain B residue 94 VAL Chi-restraints excluded: chain B residue 97 LEU Chi-restraints excluded: chain B residue 104 THR Chi-restraints excluded: chain B residue 137 SER Chi-restraints excluded: chain B residue 181 VAL Chi-restraints excluded: chain B residue 203 LEU Chi-restraints excluded: chain B residue 220 THR Chi-restraints excluded: chain B residue 242 HIS Chi-restraints excluded: chain B residue 257 THR Chi-restraints excluded: chain B residue 262 TYR Chi-restraints excluded: chain B residue 263 ASP Chi-restraints excluded: chain B residue 273 ASN Chi-restraints excluded: chain B residue 286 ASP Chi-restraints excluded: chain B residue 287 GLU Chi-restraints excluded: chain B residue 334 LEU Chi-restraints excluded: chain B residue 337 GLU Chi-restraints excluded: chain B residue 345 LEU Chi-restraints excluded: chain C residue 18 HIS Chi-restraints excluded: chain C residue 44 ASP Chi-restraints excluded: chain C residue 55 MET Chi-restraints excluded: chain C residue 59 THR Chi-restraints excluded: chain C residue 88 THR Chi-restraints excluded: chain C residue 99 LEU Chi-restraints excluded: chain C residue 118 LEU Chi-restraints excluded: chain C residue 136 THR Chi-restraints excluded: chain C residue 149 LEU Chi-restraints excluded: chain C residue 158 THR Chi-restraints excluded: chain C residue 213 ASP Chi-restraints excluded: chain E residue 24 ASN Chi-restraints excluded: chain E residue 44 PHE Chi-restraints excluded: chain E residue 64 THR Chi-restraints excluded: chain E residue 121 THR Chi-restraints excluded: chain E residue 139 VAL Chi-restraints excluded: chain E residue 181 VAL Chi-restraints excluded: chain E residue 197 VAL Chi-restraints excluded: chain E residue 214 SER Chi-restraints excluded: chain F residue 4 GLN Chi-restraints excluded: chain F residue 76 THR Chi-restraints excluded: chain F residue 98 VAL Chi-restraints excluded: chain F residue 104 LYS Chi-restraints excluded: chain F residue 105 ASP Chi-restraints excluded: chain F residue 129 GLU Chi-restraints excluded: chain F residue 132 VAL Chi-restraints excluded: chain G residue 34 LEU Chi-restraints excluded: chain G residue 50 ASP Chi-restraints excluded: chain G residue 90 ILE Chi-restraints excluded: chain G residue 98 THR Chi-restraints excluded: chain G residue 100 THR Chi-restraints excluded: chain G residue 104 VAL Chi-restraints excluded: chain G residue 108 SER Chi-restraints excluded: chain G residue 113 ILE Chi-restraints excluded: chain G residue 208 ASP Chi-restraints excluded: chain G residue 217 VAL Chi-restraints excluded: chain G residue 226 VAL Chi-restraints excluded: chain G residue 228 TYR Chi-restraints excluded: chain G residue 262 LEU Chi-restraints excluded: chain G residue 269 GLU Chi-restraints excluded: chain G residue 321 ILE Chi-restraints excluded: chain G residue 322 ARG Chi-restraints excluded: chain I residue 34 THR Chi-restraints excluded: chain I residue 44 LEU Chi-restraints excluded: chain I residue 109 THR Chi-restraints excluded: chain I residue 186 PHE Chi-restraints excluded: chain I residue 227 LEU Chi-restraints excluded: chain I residue 247 ASP Chi-restraints excluded: chain I residue 263 LEU Chi-restraints excluded: chain J residue 6 ARG Chi-restraints excluded: chain J residue 19 PHE Chi-restraints excluded: chain J residue 20 PHE Chi-restraints excluded: chain J residue 37 ILE Chi-restraints excluded: chain J residue 38 LYS Chi-restraints excluded: chain J residue 66 ARG Chi-restraints excluded: chain J residue 71 ILE Chi-restraints excluded: chain J residue 73 THR Chi-restraints excluded: chain J residue 76 ASP Chi-restraints excluded: chain J residue 82 THR Chi-restraints excluded: chain J residue 84 ILE Chi-restraints excluded: chain J residue 88 LEU Chi-restraints excluded: chain J residue 90 VAL Chi-restraints excluded: chain K residue 14 THR Chi-restraints excluded: chain K residue 40 THR Chi-restraints excluded: chain K residue 63 ARG Chi-restraints excluded: chain K residue 89 LEU Chi-restraints excluded: chain K residue 125 MET Chi-restraints excluded: chain K residue 132 GLU Chi-restraints excluded: chain K residue 162 THR Chi-restraints excluded: chain K residue 175 THR Chi-restraints excluded: chain L residue 44 ARG Chi-restraints excluded: chain L residue 53 ILE Chi-restraints excluded: chain L residue 77 VAL Chi-restraints excluded: chain L residue 79 VAL Chi-restraints excluded: chain L residue 91 ASN Chi-restraints excluded: chain L residue 93 VAL Chi-restraints excluded: chain L residue 94 SER Chi-restraints excluded: chain L residue 98 THR Chi-restraints excluded: chain L residue 118 ILE Chi-restraints excluded: chain L residue 127 VAL Chi-restraints excluded: chain L residue 149 ASN Chi-restraints excluded: chain L residue 151 VAL Chi-restraints excluded: chain L residue 160 LEU Chi-restraints excluded: chain L residue 173 SER Chi-restraints excluded: chain M residue 40 ARG Chi-restraints excluded: chain M residue 57 THR Chi-restraints excluded: chain M residue 62 LEU Chi-restraints excluded: chain M residue 63 ASP Chi-restraints excluded: chain M residue 65 THR Chi-restraints excluded: chain M residue 73 THR Chi-restraints excluded: chain M residue 88 ASN Chi-restraints excluded: chain M residue 105 VAL Chi-restraints excluded: chain M residue 108 GLN Chi-restraints excluded: chain M residue 152 VAL Chi-restraints excluded: chain M residue 174 MET Chi-restraints excluded: chain M residue 225 THR Chi-restraints excluded: chain M residue 228 SER Chi-restraints excluded: chain M residue 241 MET Chi-restraints excluded: chain M residue 247 THR Chi-restraints excluded: chain M residue 249 ILE Chi-restraints excluded: chain M residue 256 THR Chi-restraints excluded: chain N residue 50 ARG Chi-restraints excluded: chain N residue 52 LEU Chi-restraints excluded: chain N residue 55 GLN Chi-restraints excluded: chain N residue 61 ARG Chi-restraints excluded: chain N residue 72 THR Chi-restraints excluded: chain N residue 73 THR Chi-restraints excluded: chain N residue 105 ILE Chi-restraints excluded: chain N residue 123 HIS Chi-restraints excluded: chain N residue 134 SER Chi-restraints excluded: chain N residue 149 VAL Chi-restraints excluded: chain N residue 153 LEU Chi-restraints excluded: chain N residue 154 VAL Chi-restraints excluded: chain N residue 155 LEU Chi-restraints excluded: chain N residue 158 VAL Chi-restraints excluded: chain N residue 190 ASP Chi-restraints excluded: chain N residue 195 ILE Chi-restraints excluded: chain N residue 212 ILE Chi-restraints excluded: chain N residue 223 VAL Chi-restraints excluded: chain N residue 229 VAL Chi-restraints excluded: chain O residue 54 LEU Chi-restraints excluded: chain O residue 56 LEU Chi-restraints excluded: chain O residue 67 ILE Chi-restraints excluded: chain O residue 87 ILE Chi-restraints excluded: chain O residue 100 THR Chi-restraints excluded: chain O residue 130 GLU Chi-restraints excluded: chain O residue 175 ASP Chi-restraints excluded: chain O residue 183 THR Chi-restraints excluded: chain O residue 218 VAL Chi-restraints excluded: chain O residue 238 LEU Chi-restraints excluded: chain O residue 290 ASP Chi-restraints excluded: chain O residue 310 MET Chi-restraints excluded: chain Q residue 11 SER Chi-restraints excluded: chain Q residue 21 ARG Chi-restraints excluded: chain Q residue 49 VAL Chi-restraints excluded: chain Q residue 84 GLU Chi-restraints excluded: chain Q residue 92 VAL Chi-restraints excluded: chain Q residue 114 LEU Chi-restraints excluded: chain R residue 62 SER Chi-restraints excluded: chain R residue 85 LYS Chi-restraints excluded: chain R residue 102 ASP Chi-restraints excluded: chain R residue 138 THR Chi-restraints excluded: chain R residue 149 VAL Chi-restraints excluded: chain R residue 150 ASP Chi-restraints excluded: chain R residue 163 VAL Chi-restraints excluded: chain R residue 256 HIS Chi-restraints excluded: chain R residue 258 VAL Chi-restraints excluded: chain R residue 283 ILE Chi-restraints excluded: chain R residue 296 ILE Chi-restraints excluded: chain R residue 332 VAL Chi-restraints excluded: chain R residue 353 ILE Chi-restraints excluded: chain R residue 393 LEU Chi-restraints excluded: chain R residue 475 VAL Chi-restraints excluded: chain S residue 262 CYS Chi-restraints excluded: chain S residue 274 ASN Chi-restraints excluded: chain S residue 290 VAL Chi-restraints excluded: chain S residue 337 ILE Chi-restraints excluded: chain S residue 347 VAL Chi-restraints excluded: chain S residue 349 ASN Chi-restraints excluded: chain S residue 373 ASP Chi-restraints excluded: chain S residue 377 LYS Chi-restraints excluded: chain S residue 384 HIS Chi-restraints excluded: chain T residue 34 ASN Chi-restraints excluded: chain T residue 52 LEU Chi-restraints excluded: chain T residue 65 GLU Chi-restraints excluded: chain T residue 78 CYS Chi-restraints excluded: chain V residue 39 VAL Chi-restraints excluded: chain V residue 62 MET Chi-restraints excluded: chain V residue 72 ASP Chi-restraints excluded: chain V residue 73 VAL Chi-restraints excluded: chain V residue 127 GLU Chi-restraints excluded: chain V residue 150 VAL Chi-restraints excluded: chain Z residue 80 ARG Chi-restraints excluded: chain Z residue 84 SER Chi-restraints excluded: chain Z residue 97 VAL Chi-restraints excluded: chain Z residue 131 TRP Chi-restraints excluded: chain Z residue 149 ASP Chi-restraints excluded: chain Z residue 157 VAL Chi-restraints excluded: chain BA residue 68 VAL Chi-restraints excluded: chain BA residue 112 GLU Chi-restraints excluded: chain BA residue 138 VAL Chi-restraints excluded: chain BA residue 142 SER Chi-restraints excluded: chain CA residue 88 GLU Chi-restraints excluded: chain CA residue 118 GLU Chi-restraints excluded: chain CA residue 137 SER Chi-restraints excluded: chain CA residue 154 LEU Chi-restraints excluded: chain CA residue 193 SER Chi-restraints excluded: chain CA residue 207 THR Chi-restraints excluded: chain CA residue 227 ASP Chi-restraints excluded: chain CA residue 241 VAL Chi-restraints excluded: chain CA residue 251 LEU Chi-restraints excluded: chain CA residue 285 ILE Chi-restraints excluded: chain CA residue 291 PHE Chi-restraints excluded: chain CA residue 334 THR Chi-restraints excluded: chain CA residue 416 ARG Chi-restraints excluded: chain CA residue 418 VAL Chi-restraints excluded: chain CA residue 425 ARG Chi-restraints excluded: chain CA residue 426 ILE Chi-restraints excluded: chain CA residue 437 VAL Chi-restraints excluded: chain CA residue 445 HIS Chi-restraints excluded: chain CA residue 446 TYR Chi-restraints excluded: chain CA residue 453 LEU Chi-restraints excluded: chain CA residue 477 PHE Chi-restraints excluded: chain CA residue 478 THR Chi-restraints excluded: chain CA residue 536 PHE Chi-restraints excluded: chain CA residue 544 THR Chi-restraints excluded: chain CA residue 563 VAL Chi-restraints excluded: chain BB residue 33 ARG Chi-restraints excluded: chain BB residue 37 ARG Chi-restraints excluded: chain BB residue 40 ARG Chi-restraints excluded: chain CB residue 53 VAL Chi-restraints excluded: chain CB residue 75 GLU Chi-restraints excluded: chain CB residue 83 MET Chi-restraints excluded: chain CB residue 110 ILE Chi-restraints excluded: chain CB residue 114 LYS Chi-restraints excluded: chain CB residue 132 VAL Chi-restraints excluded: chain CB residue 145 LEU Chi-restraints excluded: chain CB residue 165 ILE Chi-restraints excluded: chain CB residue 180 THR Chi-restraints excluded: chain BK residue 162 HIS Chi-restraints excluded: chain BK residue 164 HIS Chi-restraints excluded: chain BK residue 203 THR Chi-restraints excluded: chain BK residue 212 LEU Chi-restraints excluded: chain BK residue 233 ILE Chi-restraints excluded: chain BK residue 238 LEU Chi-restraints excluded: chain BK residue 273 LEU Chi-restraints excluded: chain BK residue 289 LEU Chi-restraints excluded: chain BK residue 301 LEU Chi-restraints excluded: chain BK residue 304 ASN Chi-restraints excluded: chain BK residue 318 VAL Chi-restraints excluded: chain BK residue 383 VAL Chi-restraints excluded: chain BK residue 393 ASP Chi-restraints excluded: chain BK residue 402 TYR Chi-restraints excluded: chain BK residue 415 VAL Chi-restraints excluded: chain BK residue 428 LEU Chi-restraints excluded: chain BK residue 437 VAL Chi-restraints excluded: chain BK residue 439 ASP Chi-restraints excluded: chain BK residue 466 LEU Chi-restraints excluded: chain BK residue 529 HIS Chi-restraints excluded: chain BK residue 547 SER Chi-restraints excluded: chain BK residue 571 ASP Chi-restraints excluded: chain BK residue 572 VAL Chi-restraints excluded: chain BK residue 589 THR Chi-restraints excluded: chain BK residue 595 LEU Chi-restraints excluded: chain BK residue 601 VAL Chi-restraints excluded: chain BK residue 631 LEU Chi-restraints excluded: chain BK residue 637 VAL Chi-restraints excluded: chain BK residue 639 ASN Chi-restraints excluded: chain BK residue 642 LEU Chi-restraints excluded: chain BK residue 646 SER Chi-restraints excluded: chain BK residue 667 ASP Chi-restraints excluded: chain BK residue 727 THR Chi-restraints excluded: chain BK residue 749 VAL Chi-restraints excluded: chain BK residue 775 LEU Chi-restraints excluded: chain BK residue 785 SER Chi-restraints excluded: chain BK residue 789 LEU Chi-restraints excluded: chain BK residue 794 SER Chi-restraints excluded: chain BK residue 816 THR Chi-restraints excluded: chain BQ residue 15 SER Chi-restraints excluded: chain BQ residue 32 MET Chi-restraints excluded: chain BQ residue 98 LEU Chi-restraints excluded: chain BQ residue 124 ILE Chi-restraints excluded: chain BQ residue 128 VAL Chi-restraints excluded: chain BQ residue 144 VAL Chi-restraints excluded: chain BQ residue 146 VAL Chi-restraints excluded: chain BQ residue 157 SER Chi-restraints excluded: chain BQ residue 183 HIS Chi-restraints excluded: chain BQ residue 189 LEU Chi-restraints excluded: chain BQ residue 267 LEU Chi-restraints excluded: chain BQ residue 284 SER Chi-restraints excluded: chain BQ residue 328 THR Chi-restraints excluded: chain BQ residue 354 LEU Chi-restraints excluded: chain BQ residue 379 VAL Chi-restraints excluded: chain BQ residue 381 SER Chi-restraints excluded: chain BQ residue 400 GLU Chi-restraints excluded: chain BQ residue 425 VAL Chi-restraints excluded: chain BQ residue 438 THR Chi-restraints excluded: chain BQ residue 442 LEU Chi-restraints excluded: chain BN residue 101 ILE Chi-restraints excluded: chain BN residue 128 VAL Chi-restraints excluded: chain BN residue 143 LEU Chi-restraints excluded: chain BN residue 150 VAL Chi-restraints excluded: chain BN residue 151 GLU Chi-restraints excluded: chain BN residue 163 LEU Chi-restraints excluded: chain BN residue 171 SER Chi-restraints excluded: chain BN residue 212 HIS Chi-restraints excluded: chain BN residue 222 ASP Chi-restraints excluded: chain BN residue 309 ASP Chi-restraints excluded: chain BE residue 102 VAL Chi-restraints excluded: chain BO residue 63 GLN Chi-restraints excluded: chain BO residue 70 ASP Chi-restraints excluded: chain BO residue 72 THR Chi-restraints excluded: chain BO residue 75 LYS Chi-restraints excluded: chain BO residue 90 HIS Chi-restraints excluded: chain BO residue 92 ARG Chi-restraints excluded: chain BO residue 93 VAL Chi-restraints excluded: chain BO residue 132 THR Chi-restraints excluded: chain BO residue 136 THR Chi-restraints excluded: chain BO residue 150 ASN Chi-restraints excluded: chain At residue 25 ASP Chi-restraints excluded: chain At residue 27 VAL Chi-restraints excluded: chain At residue 53 THR Chi-restraints excluded: chain At residue 84 LEU Chi-restraints excluded: chain At residue 131 ARG Chi-restraints excluded: chain Au residue 118 VAL Chi-restraints excluded: chain Au residue 134 MET Chi-restraints excluded: chain Au residue 141 VAL Chi-restraints excluded: chain Au residue 165 LYS Chi-restraints excluded: chain Au residue 171 SER Chi-restraints excluded: chain Au residue 180 ASP Chi-restraints excluded: chain Ae residue 16 LEU Chi-restraints excluded: chain Ae residue 95 ARG Chi-restraints excluded: chain Ae residue 96 GLU Chi-restraints excluded: chain Ae residue 100 LEU Chi-restraints excluded: chain Ae residue 127 VAL Chi-restraints excluded: chain Ae residue 155 THR Chi-restraints excluded: chain Ae residue 179 GLU Chi-restraints excluded: chain Ae residue 184 THR Chi-restraints excluded: chain Ae residue 254 ASP Chi-restraints excluded: chain Ae residue 255 LEU Chi-restraints excluded: chain Ae residue 278 ASN Chi-restraints excluded: chain Af residue 39 MET Chi-restraints excluded: chain Af residue 43 ILE Chi-restraints excluded: chain Af residue 74 ASP Chi-restraints excluded: chain Af residue 79 SER Chi-restraints excluded: chain Af residue 94 VAL Chi-restraints excluded: chain Af residue 141 SER Chi-restraints excluded: chain Af residue 143 ASP Chi-restraints excluded: chain Af residue 144 THR Chi-restraints excluded: chain Ah residue 57 VAL Chi-restraints excluded: chain Ah residue 139 THR Chi-restraints excluded: chain Ah residue 192 VAL Chi-restraints excluded: chain Ah residue 196 VAL Chi-restraints excluded: chain Ah residue 251 VAL Chi-restraints excluded: chain Ah residue 256 VAL Chi-restraints excluded: chain Ah residue 271 GLN Chi-restraints excluded: chain Ah residue 311 VAL Chi-restraints excluded: chain Ah residue 330 VAL Chi-restraints excluded: chain Ah residue 332 LEU Chi-restraints excluded: chain Ah residue 336 ASP Chi-restraints excluded: chain Ah residue 369 VAL Chi-restraints excluded: chain Ah residue 404 HIS Chi-restraints excluded: chain Ah residue 451 MET Chi-restraints excluded: chain Ap residue 13 VAL Chi-restraints excluded: chain Ap residue 15 THR Chi-restraints excluded: chain Ap residue 22 ASN Chi-restraints excluded: chain Ap residue 40 PHE Chi-restraints excluded: chain Ap residue 46 PHE Chi-restraints excluded: chain Ap residue 65 SER Chi-restraints excluded: chain Ap residue 70 ASN Chi-restraints excluded: chain Ap residue 136 VAL Chi-restraints excluded: chain Ap residue 155 THR Chi-restraints excluded: chain Ap residue 170 ASP Chi-restraints excluded: chain Ap residue 178 LEU Chi-restraints excluded: chain Ap residue 194 GLN Chi-restraints excluded: chain Ap residue 200 TYR Chi-restraints excluded: chain Ap residue 211 ASN Chi-restraints excluded: chain Al residue 82 THR Chi-restraints excluded: chain Al residue 85 GLU Chi-restraints excluded: chain Al residue 87 GLU Chi-restraints excluded: chain Al residue 114 LEU Chi-restraints excluded: chain Al residue 116 ASN Chi-restraints excluded: chain Al residue 132 SER Chi-restraints excluded: chain Al residue 159 THR Chi-restraints excluded: chain Al residue 187 ASP Chi-restraints excluded: chain Al residue 193 ILE Chi-restraints excluded: chain Al residue 202 THR Chi-restraints excluded: chain Al residue 237 GLU Chi-restraints excluded: chain Al residue 257 GLU Chi-restraints excluded: chain Al residue 264 VAL Chi-restraints excluded: chain Al residue 277 LEU Chi-restraints excluded: chain Al residue 298 ASN Chi-restraints excluded: chain Ab residue 20 LYS Chi-restraints excluded: chain Ab residue 47 ILE Chi-restraints excluded: chain Ab residue 57 ILE Chi-restraints excluded: chain Ab residue 83 PHE Chi-restraints excluded: chain Ab residue 87 VAL Chi-restraints excluded: chain Ab residue 112 THR Chi-restraints excluded: chain Aa residue 48 VAL Chi-restraints excluded: chain Aa residue 91 LEU Chi-restraints excluded: chain Aa residue 96 ARG Chi-restraints excluded: chain Aa residue 102 ASP Chi-restraints excluded: chain Aa residue 132 SER Chi-restraints excluded: chain Aa residue 135 MET Chi-restraints excluded: chain Aa residue 155 THR Chi-restraints excluded: chain Aa residue 169 ILE Chi-restraints excluded: chain BP residue -37 THR Chi-restraints excluded: chain BP residue -4 THR Chi-restraints excluded: chain BP residue -3 HIS Chi-restraints excluded: chain BP residue -2 ILE Chi-restraints excluded: chain BP residue 10 TYR Chi-restraints excluded: chain BP residue 17 ARG Chi-restraints excluded: chain Az residue 26 LEU Chi-restraints excluded: chain Az residue 74 ASN Chi-restraints excluded: chain Az residue 85 ASN Chi-restraints excluded: chain Az residue 94 ASP Chi-restraints excluded: chain Az residue 113 VAL Chi-restraints excluded: chain Az residue 117 MET Chi-restraints excluded: chain Az residue 129 ASP Chi-restraints excluded: chain Az residue 139 SER Chi-restraints excluded: chain Am residue 50 ARG Chi-restraints excluded: chain Am residue 80 ASP Chi-restraints excluded: chain Am residue 140 TYR Chi-restraints excluded: chain Am residue 166 LEU Chi-restraints excluded: chain Am residue 183 VAL Chi-restraints excluded: chain Am residue 212 MET Chi-restraints excluded: chain Am residue 247 GLU Chi-restraints excluded: chain Am residue 270 ILE Chi-restraints excluded: chain Am residue 325 PHE Chi-restraints excluded: chain As residue 52 VAL Chi-restraints excluded: chain As residue 71 THR Chi-restraints excluded: chain As residue 86 THR Chi-restraints excluded: chain As residue 123 VAL Chi-restraints excluded: chain As residue 124 VAL Chi-restraints excluded: chain BG residue 1282 THR Chi-restraints excluded: chain BG residue 1295 THR Chi-restraints excluded: chain Ad residue 24 TYR Chi-restraints excluded: chain Ad residue 41 LEU Chi-restraints excluded: chain Ad residue 46 ILE Chi-restraints excluded: chain Ad residue 52 THR Chi-restraints excluded: chain Ad residue 138 VAL Chi-restraints excluded: chain Aw residue 6 VAL Chi-restraints excluded: chain Aw residue 53 VAL Chi-restraints excluded: chain Aw residue 55 ASP Chi-restraints excluded: chain Aw residue 82 GLU Chi-restraints excluded: chain Aw residue 99 GLN Chi-restraints excluded: chain Aw residue 120 MET Chi-restraints excluded: chain Aw residue 121 GLU Chi-restraints excluded: chain Aw residue 159 VAL Chi-restraints excluded: chain BH residue 28 VAL Chi-restraints excluded: chain BH residue 56 SER Chi-restraints excluded: chain BH residue 113 ASP Chi-restraints excluded: chain BH residue 132 HIS Chi-restraints excluded: chain BH residue 157 VAL Chi-restraints excluded: chain BH residue 159 VAL Chi-restraints excluded: chain BH residue 169 VAL Chi-restraints excluded: chain BH residue 176 CYS Chi-restraints excluded: chain Aj residue 259 THR Chi-restraints excluded: chain Aj residue 284 LEU Chi-restraints excluded: chain Aj residue 309 VAL Chi-restraints excluded: chain Aj residue 330 LEU Chi-restraints excluded: chain Aj residue 359 VAL Chi-restraints excluded: chain Aj residue 386 VAL Chi-restraints excluded: chain Aj residue 421 VAL Chi-restraints excluded: chain Aj residue 422 LEU Chi-restraints excluded: chain Aj residue 453 ILE Chi-restraints excluded: chain Aj residue 467 VAL Chi-restraints excluded: chain Aj residue 470 MET Chi-restraints excluded: chain Aj residue 481 SER Chi-restraints excluded: chain Aj residue 484 MET Chi-restraints excluded: chain Ar residue 20 ILE Chi-restraints excluded: chain Ar residue 39 GLU Chi-restraints excluded: chain Ar residue 73 ASP Chi-restraints excluded: chain Ar residue 74 SER Chi-restraints excluded: chain Ar residue 77 TYR Chi-restraints excluded: chain Ar residue 152 GLU Chi-restraints excluded: chain Ar residue 186 ASN Chi-restraints excluded: chain An residue 93 VAL Chi-restraints excluded: chain An residue 113 VAL Chi-restraints excluded: chain An residue 134 PHE Chi-restraints excluded: chain An residue 157 LEU Chi-restraints excluded: chain An residue 167 VAL Chi-restraints excluded: chain An residue 189 VAL Chi-restraints excluded: chain An residue 214 VAL Chi-restraints excluded: chain An residue 222 GLU Chi-restraints excluded: chain An residue 265 ASP Chi-restraints excluded: chain An residue 274 GLU Chi-restraints excluded: chain BF residue 46 VAL Chi-restraints excluded: chain BF residue 59 MET Chi-restraints excluded: chain Av residue 27 LEU Chi-restraints excluded: chain Av residue 90 ILE Chi-restraints excluded: chain Av residue 96 ASP Chi-restraints excluded: chain BM residue 3 VAL Chi-restraints excluded: chain BM residue 8 CYS Chi-restraints excluded: chain BM residue 20 LEU Chi-restraints excluded: chain BM residue 28 VAL Chi-restraints excluded: chain BM residue 72 TYR Chi-restraints excluded: chain BM residue 109 THR Chi-restraints excluded: chain BM residue 138 VAL Chi-restraints excluded: chain BM residue 192 LEU Chi-restraints excluded: chain BM residue 218 LEU Chi-restraints excluded: chain BM residue 233 VAL Chi-restraints excluded: chain BM residue 245 TYR Chi-restraints excluded: chain BM residue 252 VAL Chi-restraints excluded: chain BM residue 266 TRP Chi-restraints excluded: chain BM residue 286 TYR Chi-restraints excluded: chain BM residue 305 ASP Chi-restraints excluded: chain BM residue 308 THR Chi-restraints excluded: chain BM residue 311 CYS Chi-restraints excluded: chain BM residue 326 TYR Chi-restraints excluded: chain BM residue 327 LEU Chi-restraints excluded: chain BM residue 329 THR Chi-restraints excluded: chain BM residue 333 ILE Chi-restraints excluded: chain BM residue 343 VAL Chi-restraints excluded: chain BM residue 361 LEU Chi-restraints excluded: chain Ag residue 56 SER Chi-restraints excluded: chain Ag residue 97 CYS Chi-restraints excluded: chain Ag residue 98 ASP Chi-restraints excluded: chain Ag residue 99 VAL Chi-restraints excluded: chain Ag residue 119 THR Chi-restraints excluded: chain Bl residue 126 SER Chi-restraints excluded: chain Bl residue 154 VAL Chi-restraints excluded: chain Bl residue 160 VAL Chi-restraints excluded: chain Bl residue 166 VAL Chi-restraints excluded: chain Bl residue 176 ILE Chi-restraints excluded: chain Bl residue 193 ASP Chi-restraints excluded: chain Bl residue 207 LEU Chi-restraints excluded: chain Bl residue 258 VAL Chi-restraints excluded: chain Ax residue 51 SER Chi-restraints excluded: chain Ax residue 55 VAL Chi-restraints excluded: chain Ax residue 57 THR Chi-restraints excluded: chain Ax residue 94 ASP Chi-restraints excluded: chain Ax residue 130 VAL Chi-restraints excluded: chain Ax residue 154 HIS Chi-restraints excluded: chain Ax residue 168 SER Chi-restraints excluded: chain Ax residue 169 CYS Chi-restraints excluded: chain BS residue 299 VAL Chi-restraints excluded: chain BS residue 320 VAL Chi-restraints excluded: chain BS residue 357 SER Chi-restraints excluded: chain BS residue 380 TYR Chi-restraints excluded: chain BS residue 399 ILE Chi-restraints excluded: chain BS residue 408 GLN Chi-restraints excluded: chain BY residue 129 VAL Chi-restraints excluded: chain BY residue 130 GLU Chi-restraints excluded: chain BY residue 139 LEU Chi-restraints excluded: chain BY residue 140 HIS Chi-restraints excluded: chain BY residue 156 VAL Chi-restraints excluded: chain BY residue 165 TYR Chi-restraints excluded: chain BY residue 191 LEU Chi-restraints excluded: chain BY residue 201 VAL Chi-restraints excluded: chain BY residue 225 ASP Chi-restraints excluded: chain BY residue 306 VAL Chi-restraints excluded: chain BY residue 325 SER Chi-restraints excluded: chain BY residue 351 PHE Chi-restraints excluded: chain BX residue 78 VAL Chi-restraints excluded: chain BX residue 127 LEU Chi-restraints excluded: chain BX residue 145 THR Chi-restraints excluded: chain BX residue 147 VAL Chi-restraints excluded: chain BX residue 163 ASP Chi-restraints excluded: chain BX residue 215 ASP Chi-restraints excluded: chain BX residue 242 THR Chi-restraints excluded: chain BX residue 248 THR Chi-restraints excluded: chain BX residue 260 LEU Chi-restraints excluded: chain BX residue 270 LEU Chi-restraints excluded: chain BX residue 273 LEU Chi-restraints excluded: chain BX residue 317 VAL Chi-restraints excluded: chain BX residue 341 SER Chi-restraints excluded: chain BX residue 347 LEU Chi-restraints excluded: chain BZ residue 61 THR Chi-restraints excluded: chain BZ residue 94 ILE Chi-restraints excluded: chain BZ residue 97 TYR Chi-restraints excluded: chain BZ residue 98 ARG Chi-restraints excluded: chain BZ residue 107 ARG Chi-restraints excluded: chain BZ residue 109 THR Chi-restraints excluded: chain BZ residue 115 ASP Chi-restraints excluded: chain BZ residue 118 VAL Chi-restraints excluded: chain BZ residue 120 VAL Chi-restraints excluded: chain BZ residue 185 ILE Chi-restraints excluded: chain BZ residue 189 HIS Chi-restraints excluded: chain BZ residue 198 ASP Chi-restraints excluded: chain BZ residue 214 CYS Chi-restraints excluded: chain BZ residue 227 LEU Chi-restraints excluded: chain BZ residue 232 ASN Chi-restraints excluded: chain BZ residue 240 MET Chi-restraints excluded: chain BZ residue 256 VAL Chi-restraints excluded: chain BZ residue 266 ILE Chi-restraints excluded: chain BZ residue 286 THR Chi-restraints excluded: chain BZ residue 305 LEU Chi-restraints excluded: chain BZ residue 311 ILE Chi-restraints excluded: chain BZ residue 317 THR Chi-restraints excluded: chain BZ residue 345 SER Chi-restraints excluded: chain CC residue 70 ASP Chi-restraints excluded: chain CC residue 73 ASP Chi-restraints excluded: chain CC residue 100 VAL Chi-restraints excluded: chain CC residue 110 VAL Chi-restraints excluded: chain CC residue 115 PHE Chi-restraints excluded: chain CD residue 37 ASN Chi-restraints excluded: chain CD residue 45 GLN Chi-restraints excluded: chain CD residue 49 GLU Chi-restraints excluded: chain CD residue 80 VAL Chi-restraints excluded: chain CD residue 94 GLU Chi-restraints excluded: chain CD residue 103 SER Chi-restraints excluded: chain BT residue 55 LEU Chi-restraints excluded: chain BT residue 71 ASP Chi-restraints excluded: chain BT residue 177 SER Chi-restraints excluded: chain BT residue 178 THR Chi-restraints excluded: chain BT residue 193 ARG Chi-restraints excluded: chain BT residue 205 VAL Chi-restraints excluded: chain BT residue 220 LEU Chi-restraints excluded: chain BT residue 229 TYR Chi-restraints excluded: chain BT residue 235 THR Chi-restraints excluded: chain BT residue 236 LEU Chi-restraints excluded: chain BT residue 265 MET Chi-restraints excluded: chain BT residue 266 VAL Chi-restraints excluded: chain BT residue 273 ILE Chi-restraints excluded: chain BT residue 275 VAL Chi-restraints excluded: chain BT residue 289 LEU Chi-restraints excluded: chain BT residue 298 ASP Chi-restraints excluded: chain BT residue 305 GLU Chi-restraints excluded: chain BT residue 313 THR Chi-restraints excluded: chain BT residue 343 VAL Chi-restraints excluded: chain BU residue 36 ARG Chi-restraints excluded: chain BU residue 42 SER Chi-restraints excluded: chain BU residue 60 ILE Chi-restraints excluded: chain BU residue 63 ASP Chi-restraints excluded: chain BU residue 78 LEU Chi-restraints excluded: chain BU residue 103 THR Chi-restraints excluded: chain BU residue 111 ILE Chi-restraints excluded: chain BU residue 216 MET Chi-restraints excluded: chain BU residue 231 VAL Chi-restraints excluded: chain BU residue 237 THR Chi-restraints excluded: chain BU residue 242 THR Chi-restraints excluded: chain BU residue 263 THR Chi-restraints excluded: chain BU residue 271 CYS Chi-restraints excluded: chain BU residue 274 LYS Chi-restraints excluded: chain BU residue 277 LYS Chi-restraints excluded: chain BU residue 282 ASP Chi-restraints excluded: chain BU residue 298 LEU Chi-restraints excluded: chain BU residue 309 ILE Chi-restraints excluded: chain BU residue 315 VAL Chi-restraints excluded: chain BU residue 345 VAL Chi-restraints excluded: chain BU residue 355 LEU Chi-restraints excluded: chain BU residue 358 SER Chi-restraints excluded: chain BU residue 386 HIS Chi-restraints excluded: chain BU residue 427 ILE Chi-restraints excluded: chain BU residue 448 LEU Chi-restraints excluded: chain BU residue 481 VAL Chi-restraints excluded: chain BW residue 100 SER Chi-restraints excluded: chain BW residue 113 ASP Chi-restraints excluded: chain BW residue 121 THR Chi-restraints excluded: chain BW residue 206 LEU Chi-restraints excluded: chain BW residue 213 LEU Chi-restraints excluded: chain BW residue 223 CYS Chi-restraints excluded: chain BW residue 234 LEU Chi-restraints excluded: chain BW residue 241 THR Chi-restraints excluded: chain BW residue 245 VAL Chi-restraints excluded: chain BW residue 249 ASP Chi-restraints excluded: chain BW residue 253 ILE Chi-restraints excluded: chain BW residue 257 LEU Chi-restraints excluded: chain BW residue 265 GLU Chi-restraints excluded: chain BW residue 503 PHE Chi-restraints excluded: chain BW residue 509 THR Chi-restraints excluded: chain BW residue 519 THR Chi-restraints excluded: chain BW residue 558 ASN Chi-restraints excluded: chain BW residue 559 ILE Chi-restraints excluded: chain BW residue 565 VAL Chi-restraints excluded: chain BW residue 574 VAL Chi-restraints excluded: chain BW residue 581 ASP Chi-restraints excluded: chain BW residue 591 SER Chi-restraints excluded: chain BW residue 598 ARG Chi-restraints excluded: chain BW residue 613 GLN Chi-restraints excluded: chain BW residue 625 LYS Chi-restraints excluded: chain BW residue 639 ASP Chi-restraints excluded: chain BW residue 650 THR Chi-restraints excluded: chain BW residue 654 ASN Chi-restraints excluded: chain BW residue 660 TYR Chi-restraints excluded: chain BV residue 140 ASN Chi-restraints excluded: chain BV residue 153 TYR Chi-restraints excluded: chain BV residue 156 TRP Chi-restraints excluded: chain BV residue 174 ILE Chi-restraints excluded: chain BV residue 226 LEU Chi-restraints excluded: chain BV residue 227 THR Chi-restraints excluded: chain BV residue 269 ARG Chi-restraints excluded: chain BV residue 290 THR Chi-restraints excluded: chain BV residue 296 LEU Chi-restraints excluded: chain BV residue 323 THR Chi-restraints excluded: chain BR residue 58 LEU Chi-restraints excluded: chain BR residue 59 THR Chi-restraints excluded: chain BR residue 131 THR Chi-restraints excluded: chain BR residue 270 GLU Chi-restraints excluded: chain BR residue 271 ASP Chi-restraints excluded: chain BR residue 278 ARG Rotamers are restrained with sigma=2.00 ------------------------------------------------------------------------------- XYZ refinement ************** Traceback (most recent call last): File "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5265/build/../modules/phenix/phenix/command_line/real_space_refine.py", line 8, in run_program(real_space_refine.Program) File "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5265/modules/cctbx_project/iotbx/cli_parser.py", line 944, in run_program task.run() File "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5265/modules/phenix/phenix/programs/real_space_refine.py", line 189, in run log = self.logger) File "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5265/modules/phenix/phenix/refinement/rsr/wrappers.py", line 58, in __init__ log = log) File "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5265/modules/phenix/phenix/refinement/macro_cycle_real_space.py", line 306, in __init__ self.caller(self.refine_xyz) File "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5265/modules/phenix/phenix/refinement/macro_cycle_real_space.py", line 321, in caller func() File "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5265/modules/phenix/phenix/refinement/macro_cycle_real_space.py", line 700, in refine_xyz self.minimization_no_ncs() File "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5265/modules/phenix/phenix/refinement/macro_cycle_real_space.py", line 764, in minimization_no_ncs log = self.log) File "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5265/modules/cctbx_project/mmtbx/refinement/real_space/individual_sites.py", line 51, in __init__ gradients_method = gradients_method) File "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5265/modules/cctbx_project/mmtbx/refinement/real_space/weight.py", line 87, in __init__ rms_angles_limit = rms_angles_limit) File "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5265/modules/cctbx_project/mmtbx/refinement/real_space/individual_sites.py", line 368, in refine rms_angles_limit = rms_angles_limit) File "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5265/modules/cctbx_project/mmtbx/refinement/real_space/individual_sites.py", line 235, in __init__ weight = weight) File "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5265/modules/cctbx_project/mmtbx/refinement/real_space/individual_sites.py", line 112, in refine states_collector = self.states_accumulator) File "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5265/modules/cctbx_project/cctbx/maptbx/real_space_refinement_simple.py", line 174, in __init__ exception_handling_params=lbfgs_exception_handling_params) File "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5265/modules/cctbx_project/scitbx/lbfgs/__init__.py", line 278, in run line_search) File "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5265/modules/cctbx_project/scitbx/lbfgs/__init__.py", line 131, in run_c_plus_plus f, g = target_evaluator.compute_functional_and_gradients() File "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5265/modules/cctbx_project/cctbx/maptbx/real_space_refinement_simple.py", line 245, in compute_functional_and_gradients compute_gradients=True) File "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5265/modules/cctbx_project/cctbx/geometry_restraints/manager.py", line 1479, in energies_sites flags=flags, sites_cart=sites_cart, site_labels=site_labels) File "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5265/modules/cctbx_project/cctbx/geometry_restraints/manager.py", line 1381, in pair_proxies check_bonded_distance_cutoff(sites_frac=sites_frac) File "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5265/modules/cctbx_project/cctbx/geometry_restraints/manager.py", line 1262, in check_bonded_distance_cutoff raise RuntimeError(msg) RuntimeError: Bond distance > max_reasonable_bond_distance: 59.3246 > 50: distance: 7 - 85: 28.124 distance: 19 - 68: 10.090 distance: 21 - 26: 5.671 distance: 26 - 27: 8.134 distance: 27 - 28: 11.183 distance: 27 - 30: 12.513 distance: 28 - 29: 11.091 distance: 28 - 33: 18.007 distance: 30 - 31: 7.626 distance: 30 - 32: 13.222 distance: 33 - 34: 15.456 distance: 34 - 35: 16.019 distance: 34 - 37: 34.976 distance: 35 - 36: 10.576 distance: 35 - 39: 15.336 distance: 37 - 38: 8.659 distance: 39 - 40: 11.039 distance: 40 - 41: 23.920 distance: 41 - 42: 29.398 distance: 41 - 43: 14.859 distance: 43 - 44: 5.191 distance: 44 - 45: 9.106 distance: 44 - 47: 5.261 distance: 45 - 46: 9.941 distance: 45 - 52: 18.127 distance: 47 - 48: 14.055 distance: 48 - 49: 16.122 distance: 49 - 50: 5.372 distance: 49 - 51: 7.710 distance: 52 - 53: 7.322 distance: 53 - 54: 11.044 distance: 54 - 55: 13.961 distance: 54 - 56: 10.158 distance: 56 - 57: 12.002 distance: 57 - 58: 17.703 distance: 57 - 60: 5.639 distance: 58 - 59: 11.872 distance: 58 - 61: 12.027 distance: 62 - 63: 9.522 distance: 63 - 64: 7.417 distance: 63 - 65: 15.828 distance: 65 - 66: 7.703 distance: 66 - 67: 6.816 distance: 66 - 69: 6.964 distance: 67 - 68: 22.789 distance: 67 - 74: 13.220 distance: 69 - 70: 17.021 distance: 70 - 71: 14.493 distance: 71 - 72: 4.735 distance: 71 - 73: 3.776 distance: 74 - 75: 8.759 distance: 75 - 76: 12.149 distance: 75 - 78: 21.177 distance: 76 - 77: 14.681 distance: 76 - 85: 12.363 distance: 78 - 79: 8.733 distance: 79 - 80: 11.510 distance: 80 - 81: 6.318 distance: 81 - 82: 6.015 distance: 82 - 83: 7.338 distance: 82 - 84: 14.448 distance: 85 - 86: 5.278 distance: 86 - 87: 9.726 distance: 87 - 88: 15.513 distance: 87 - 89: 22.619