Starting phenix.real_space_refine on Thu Mar 14 11:10:36 2024 by dcliebschner =============================================================================== Processing files: ------------------------------------------------------------------------------- Found model, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7as4_11888/03_2024/7as4_11888_neut_updated.pdb Found real_map, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7as4_11888/03_2024/7as4_11888.map Processing PHIL parameters: ------------------------------------------------------------------------------- Adding command-line PHIL: ------------------------- refinement.macro_cycles=10 scattering_table=electron resolution=4.13 write_initial_geo_file=False Final processed PHIL parameters: ------------------------------------------------------------------------------- data_manager { real_map_files = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7as4_11888/03_2024/7as4_11888.map" default_real_map = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7as4_11888/03_2024/7as4_11888.map" model { file = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7as4_11888/03_2024/7as4_11888_neut_updated.pdb" } default_model = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7as4_11888/03_2024/7as4_11888_neut_updated.pdb" } resolution = 4.13 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= 0.003 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 28 5.49 5 S 599 5.16 5 C 76953 2.51 5 N 20870 2.21 5 O 22329 1.98 5 sf(0) = scattering factor at diffraction angle 0. Process input model Symmetric amino acids flipped Residue "1 ARG 3": "NH1" <-> "NH2" Residue "1 GLU 4": "OE1" <-> "OE2" Residue "1 TYR 248": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 ARG 339": "NH1" <-> "NH2" Residue "1 ARG 343": "NH1" <-> "NH2" Residue "1 ARG 362": "NH1" <-> "NH2" Residue "1 ARG 393": "NH1" <-> "NH2" Residue "1 GLU 402": "OE1" <-> "OE2" Residue "1 GLU 406": "OE1" <-> "OE2" Residue "1 ARG 440": "NH1" <-> "NH2" Residue "2 ARG 3": "NH1" <-> "NH2" Residue "2 GLU 4": "OE1" <-> "OE2" Residue "2 ARG 265": "NH1" <-> "NH2" Residue "2 ARG 339": "NH1" <-> "NH2" Residue "2 ARG 343": "NH1" <-> "NH2" Residue "2 ARG 362": "NH1" <-> "NH2" Residue "2 ARG 393": "NH1" <-> "NH2" Residue "2 GLU 402": "OE1" <-> "OE2" Residue "2 GLU 406": "OE1" <-> "OE2" Residue "2 ARG 440": "NH1" <-> "NH2" Residue "3 GLU 25": "OE1" <-> "OE2" Residue "3 ARG 37": "NH1" <-> "NH2" Residue "4 PHE 75": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 ASP 76": "OD1" <-> "OD2" Residue "4 GLU 106": "OE1" <-> "OE2" Residue "5 ARG 33": "NH1" <-> "NH2" Residue "6 GLU 30": "OE1" <-> "OE2" Residue "6 ARG 33": "NH1" <-> "NH2" Residue "6 GLU 66": "OE1" <-> "OE2" Residue "A GLU 279": "OE1" <-> "OE2" Residue "A ARG 297": "NH1" <-> "NH2" Residue "A GLU 302": "OE1" <-> "OE2" Residue "A ARG 315": "NH1" <-> "NH2" Residue "A ARG 397": "NH1" <-> "NH2" Residue "A GLU 481": "OE1" <-> "OE2" Residue "A ARG 482": "NH1" <-> "NH2" Residue "A ASP 501": "OD1" <-> "OD2" Residue "A ARG 550": "NH1" <-> "NH2" Residue "A GLU 556": "OE1" <-> "OE2" Residue "A ASP 581": "OD1" <-> "OD2" Residue "A ARG 632": "NH1" <-> "NH2" Residue "A ARG 643": "NH1" <-> "NH2" Residue "A ARG 685": "NH1" <-> "NH2" Residue "A GLU 703": "OE1" <-> "OE2" Residue "A PHE 765": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A ARG 858": "NH1" <-> "NH2" Residue "A GLU 867": "OE1" <-> "OE2" Residue "B TYR 275": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B ARG 285": "NH1" <-> "NH2" Residue "B GLU 296": "OE1" <-> "OE2" Residue "B TYR 307": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B ARG 337": "NH1" <-> "NH2" Residue "B ARG 366": "NH1" <-> "NH2" Residue "B ARG 391": "NH1" <-> "NH2" Residue "B ARG 458": "NH1" <-> "NH2" Residue "B GLU 584": "OE1" <-> "OE2" Residue "B ARG 619": "NH1" <-> "NH2" Residue "B ARG 624": "NH1" <-> "NH2" Residue "B ARG 654": "NH1" <-> "NH2" Residue "B ARG 692": "NH1" <-> "NH2" Residue "B GLU 710": "OE1" <-> "OE2" Residue "B GLU 784": "OE1" <-> "OE2" Residue "B ARG 802": "NH1" <-> "NH2" Residue "B ARG 803": "NH1" <-> "NH2" Residue "B GLU 829": "OE1" <-> "OE2" Residue "B ARG 879": "NH1" <-> "NH2" Residue "B PHE 882": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B GLU 884": "OE1" <-> "OE2" Residue "C GLU 279": "OE1" <-> "OE2" Residue "C PHE 283": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C GLU 284": "OE1" <-> "OE2" Residue "C ARG 297": "NH1" <-> "NH2" Residue "C ARG 315": "NH1" <-> "NH2" Residue "C TYR 387": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C ARG 397": "NH1" <-> "NH2" Residue "C TYR 477": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C ARG 482": "NH1" <-> "NH2" Residue "C GLU 506": "OE1" <-> "OE2" Residue "C ARG 550": "NH1" <-> "NH2" Residue "C GLU 556": "OE1" <-> "OE2" Residue "C ARG 632": "NH1" <-> "NH2" Residue "C ARG 643": "NH1" <-> "NH2" Residue "C ARG 685": "NH1" <-> "NH2" Residue "C GLU 703": "OE1" <-> "OE2" Residue "C ARG 858": "NH1" <-> "NH2" Residue "D GLU 296": "OE1" <-> "OE2" Residue "D GLU 334": "OE1" <-> "OE2" Residue "D ARG 337": "NH1" <-> "NH2" Residue "D ARG 366": "NH1" <-> "NH2" Residue "D ARG 391": "NH1" <-> "NH2" Residue "D ARG 458": "NH1" <-> "NH2" Residue "D GLU 584": "OE1" <-> "OE2" Residue "D GLU 602": "OE1" <-> "OE2" Residue "D ARG 619": "NH1" <-> "NH2" Residue "D ARG 624": "NH1" <-> "NH2" Residue "D ARG 654": "NH1" <-> "NH2" Residue "D ARG 692": "NH1" <-> "NH2" Residue "D GLU 710": "OE1" <-> "OE2" Residue "D PHE 724": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D ARG 802": "NH1" <-> "NH2" Residue "D ARG 803": "NH1" <-> "NH2" Residue "D GLU 826": "OE1" <-> "OE2" Residue "D GLU 829": "OE1" <-> "OE2" Residue "D GLU 835": "OE1" <-> "OE2" Residue "D PHE 878": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D ARG 879": "NH1" <-> "NH2" Residue "E GLU 183": "OE1" <-> "OE2" Residue "E GLU 214": "OE1" <-> "OE2" Residue "E ARG 297": "NH1" <-> "NH2" Residue "E GLU 302": "OE1" <-> "OE2" Residue "E ARG 397": "NH1" <-> "NH2" Residue "E GLU 421": "OE1" <-> "OE2" Residue "E GLU 474": "OE1" <-> "OE2" Residue "E TYR 477": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E ARG 482": "NH1" <-> "NH2" Residue "E GLU 505": "OE1" <-> "OE2" Residue "E ARG 550": "NH1" <-> "NH2" Residue "E ARG 632": "NH1" <-> "NH2" Residue "E ARG 643": "NH1" <-> "NH2" Residue "E ARG 685": "NH1" <-> "NH2" Residue "E GLU 703": "OE1" <-> "OE2" Residue "E PHE 765": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E ARG 858": "NH1" <-> "NH2" Residue "F ARG 285": "NH1" <-> "NH2" Residue "F ARG 366": "NH1" <-> "NH2" Residue "F ARG 391": "NH1" <-> "NH2" Residue "F GLU 438": "OE1" <-> "OE2" Residue "F ARG 458": "NH1" <-> "NH2" Residue "F GLU 527": "OE1" <-> "OE2" Residue "F GLU 584": "OE1" <-> "OE2" Residue "F ARG 619": "NH1" <-> "NH2" Residue "F ARG 624": "NH1" <-> "NH2" Residue "F ARG 654": "NH1" <-> "NH2" Residue "F ARG 692": "NH1" <-> "NH2" Residue "F GLU 725": "OE1" <-> "OE2" Residue "F GLU 728": "OE1" <-> "OE2" Residue "F ARG 802": "NH1" <-> "NH2" Residue "F ARG 803": "NH1" <-> "NH2" Residue "F GLU 829": "OE1" <-> "OE2" Residue "F GLU 871": "OE1" <-> "OE2" Residue "F ARG 879": "NH1" <-> "NH2" Residue "F GLU 884": "OE1" <-> "OE2" Residue "G GLU 183": "OE1" <-> "OE2" Residue "G GLU 214": "OE1" <-> "OE2" Residue "G ARG 297": "NH1" <-> "NH2" Residue "G GLU 302": "OE1" <-> "OE2" Residue "G ARG 315": "NH1" <-> "NH2" Residue "G GLU 392": "OE1" <-> "OE2" Residue "G ARG 397": "NH1" <-> "NH2" Residue "G GLU 413": "OE1" <-> "OE2" Residue "G GLU 417": "OE1" <-> "OE2" Residue "G TYR 477": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G ARG 482": "NH1" <-> "NH2" Residue "G TYR 484": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G ARG 550": "NH1" <-> "NH2" Residue "G ARG 632": "NH1" <-> "NH2" Residue "G ARG 643": "NH1" <-> "NH2" Residue "G ARG 685": "NH1" <-> "NH2" Residue "G GLU 700": "OE1" <-> "OE2" Residue "G GLU 703": "OE1" <-> "OE2" Residue "G PHE 765": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G ARG 858": "NH1" <-> "NH2" Residue "H GLU 247": "OE1" <-> "OE2" Residue "H GLU 272": "OE1" <-> "OE2" Residue "H TYR 275": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H ARG 285": "NH1" <-> "NH2" Residue "H GLU 334": "OE1" <-> "OE2" Residue "H ARG 337": "NH1" <-> "NH2" Residue "H ARG 365": "NH1" <-> "NH2" Residue "H ARG 366": "NH1" <-> "NH2" Residue "H ARG 391": "NH1" <-> "NH2" Residue "H ARG 458": "NH1" <-> "NH2" Residue "H GLU 527": "OE1" <-> "OE2" Residue "H ARG 563": "NH1" <-> "NH2" Residue "H GLU 584": "OE1" <-> "OE2" Residue "H ARG 619": "NH1" <-> "NH2" Residue "H ARG 624": "NH1" <-> "NH2" Residue "H ARG 654": "NH1" <-> "NH2" Residue "H GLU 674": "OE1" <-> "OE2" Residue "H ARG 692": "NH1" <-> "NH2" Residue "H PHE 714": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H GLU 725": "OE1" <-> "OE2" Residue "H PHE 754": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H GLU 798": "OE1" <-> "OE2" Residue "H ARG 802": "NH1" <-> "NH2" Residue "H ARG 803": "NH1" <-> "NH2" Residue "H GLU 808": "OE1" <-> "OE2" Residue "H GLU 829": "OE1" <-> "OE2" Residue "H GLU 838": "OE1" <-> "OE2" Residue "H ARG 879": "NH1" <-> "NH2" Residue "H PHE 882": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H GLU 884": "OE1" <-> "OE2" Residue "H GLU 890": "OE1" <-> "OE2" Residue "I GLU 4": "OE1" <-> "OE2" Residue "I PHE 33": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I GLU 60": "OE1" <-> "OE2" Residue "I GLU 110": "OE1" <-> "OE2" Residue "I GLU 201": "OE1" <-> "OE2" Residue "I GLU 202": "OE1" <-> "OE2" Residue "I GLU 281": "OE1" <-> "OE2" Residue "I GLU 310": "OE1" <-> "OE2" Residue "I GLU 347": "OE1" <-> "OE2" Residue "I GLU 389": "OE1" <-> "OE2" Residue "I GLU 473": "OE1" <-> "OE2" Residue "I ARG 621": "NH1" <-> "NH2" Residue "J ARG 272": "NH1" <-> "NH2" Residue "J GLU 333": "OE1" <-> "OE2" Residue "J GLU 383": "OE1" <-> "OE2" Residue "J ARG 405": "NH1" <-> "NH2" Residue "J ARG 428": "NH1" <-> "NH2" Residue "J ARG 432": "NH1" <-> "NH2" Residue "J GLU 455": "OE1" <-> "OE2" Residue "J ARG 544": "NH1" <-> "NH2" Residue "J ARG 715": "NH1" <-> "NH2" Residue "J ARG 724": "NH1" <-> "NH2" Residue "J GLU 748": "OE1" <-> "OE2" Residue "J GLU 816": "OE1" <-> "OE2" Residue "J ARG 887": "NH1" <-> "NH2" Residue "J ARG 944": "NH1" <-> "NH2" Residue "J GLU 978": "OE1" <-> "OE2" Residue "J GLU 981": "OE1" <-> "OE2" Residue "K GLU 110": "OE1" <-> "OE2" Residue "K GLU 173": "OE1" <-> "OE2" Residue "K ARG 271": "NH1" <-> "NH2" Residue "K GLU 304": "OE1" <-> "OE2" Residue "K GLU 338": "OE1" <-> "OE2" Residue "K ARG 502": "NH1" <-> "NH2" Residue "K ARG 516": "NH1" <-> "NH2" Residue "K ARG 518": "NH1" <-> "NH2" Residue "K ARG 607": "NH1" <-> "NH2" Residue "K ARG 648": "NH1" <-> "NH2" Residue "L ARG 444": "NH1" <-> "NH2" Residue "L GLU 559": "OE1" <-> "OE2" Residue "L GLU 1415": "OE1" <-> "OE2" Residue "L GLU 1469": "OE1" <-> "OE2" Residue "L ARG 1486": "NH1" <-> "NH2" Residue "L ARG 1521": "NH1" <-> "NH2" Residue "L GLU 1708": "OE1" <-> "OE2" Residue "L ARG 1763": "NH1" <-> "NH2" Residue "L ARG 1809": "NH1" <-> "NH2" Residue "M GLU 183": "OE1" <-> "OE2" Residue "M GLU 214": "OE1" <-> "OE2" Residue "M ARG 297": "NH1" <-> "NH2" Residue "M GLU 302": "OE1" <-> "OE2" Residue "M ARG 315": "NH1" <-> "NH2" Residue "M GLU 392": "OE1" <-> "OE2" Residue "M ARG 397": "NH1" <-> "NH2" Residue "M GLU 413": "OE1" <-> "OE2" Residue "M GLU 417": "OE1" <-> "OE2" Residue "M TYR 477": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M ARG 482": "NH1" <-> "NH2" Residue "M TYR 484": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M ARG 550": "NH1" <-> "NH2" Residue "M GLU 556": "OE1" <-> "OE2" Residue "M ARG 632": "NH1" <-> "NH2" Residue "M ARG 643": "NH1" <-> "NH2" Residue "M ARG 685": "NH1" <-> "NH2" Residue "M GLU 700": "OE1" <-> "OE2" Residue "M GLU 703": "OE1" <-> "OE2" Residue "M ARG 858": "NH1" <-> "NH2" Residue "N GLU 247": "OE1" <-> "OE2" Residue "N GLU 272": "OE1" <-> "OE2" Residue "N GLU 334": "OE1" <-> "OE2" Residue "N ARG 337": "NH1" <-> "NH2" Residue "N ARG 365": "NH1" <-> "NH2" Residue "N ARG 366": "NH1" <-> "NH2" Residue "N ARG 391": "NH1" <-> "NH2" Residue "N ARG 458": "NH1" <-> "NH2" Residue "N GLU 527": "OE1" <-> "OE2" Residue "N ARG 563": "NH1" <-> "NH2" Residue "N GLU 584": "OE1" <-> "OE2" Residue "N ARG 619": "NH1" <-> "NH2" Residue "N ARG 624": "NH1" <-> "NH2" Residue "N ARG 654": "NH1" <-> "NH2" Residue "N GLU 674": "OE1" <-> "OE2" Residue "N ARG 692": "NH1" <-> "NH2" Residue "N PHE 714": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N GLU 725": "OE1" <-> "OE2" Residue "N PHE 754": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N GLU 798": "OE1" <-> "OE2" Residue "N ARG 802": "NH1" <-> "NH2" Residue "N ARG 803": "NH1" <-> "NH2" Residue "N GLU 808": "OE1" <-> "OE2" Residue "N GLU 829": "OE1" <-> "OE2" Residue "N GLU 838": "OE1" <-> "OE2" Residue "N ARG 879": "NH1" <-> "NH2" Residue "N PHE 882": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N GLU 884": "OE1" <-> "OE2" Residue "N GLU 890": "OE1" <-> "OE2" Residue "O ARG 3": "NH1" <-> "NH2" Residue "O GLU 4": "OE1" <-> "OE2" Residue "O ARG 339": "NH1" <-> "NH2" Residue "O ARG 343": "NH1" <-> "NH2" Residue "O ARG 362": "NH1" <-> "NH2" Residue "O ARG 393": "NH1" <-> "NH2" Residue "O GLU 402": "OE1" <-> "OE2" Residue "O GLU 406": "OE1" <-> "OE2" Residue "O ARG 440": "NH1" <-> "NH2" Residue "P ARG 3": "NH1" <-> "NH2" Residue "P GLU 4": "OE1" <-> "OE2" Residue "P PHE 52": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P TYR 53": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P ASP 56": "OD1" <-> "OD2" Residue "P TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P ARG 339": "NH1" <-> "NH2" Residue "P ARG 343": "NH1" <-> "NH2" Residue "P ARG 362": "NH1" <-> "NH2" Residue "P ARG 393": "NH1" <-> "NH2" Residue "P GLU 402": "OE1" <-> "OE2" Residue "P GLU 406": "OE1" <-> "OE2" Residue "P ARG 440": "NH1" <-> "NH2" Residue "Q ARG 3": "NH1" <-> "NH2" Residue "Q GLU 4": "OE1" <-> "OE2" Residue "Q TYR 248": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q ARG 339": "NH1" <-> "NH2" Residue "Q ARG 343": "NH1" <-> "NH2" Residue "Q ARG 362": "NH1" <-> "NH2" Residue "Q ARG 393": "NH1" <-> "NH2" Residue "Q GLU 402": "OE1" <-> "OE2" Residue "Q GLU 406": "OE1" <-> "OE2" Residue "Q ARG 440": "NH1" <-> "NH2" Residue "R ARG 3": "NH1" <-> "NH2" Residue "R GLU 4": "OE1" <-> "OE2" Residue "R TYR 248": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R ARG 339": "NH1" <-> "NH2" Residue "R ARG 343": "NH1" <-> "NH2" Residue "R ARG 362": "NH1" <-> "NH2" Residue "R ARG 393": "NH1" <-> "NH2" Residue "R GLU 402": "OE1" <-> "OE2" Residue "R GLU 406": "OE1" <-> "OE2" Residue "R ARG 440": "NH1" <-> "NH2" Residue "S ARG 3": "NH1" <-> "NH2" Residue "S GLU 4": "OE1" <-> "OE2" Residue "S ARG 339": "NH1" <-> "NH2" Residue "S ARG 343": "NH1" <-> "NH2" Residue "S ARG 362": "NH1" <-> "NH2" Residue "S ARG 393": "NH1" <-> "NH2" Residue "S GLU 402": "OE1" <-> "OE2" Residue "S GLU 406": "OE1" <-> "OE2" Residue "S ARG 440": "NH1" <-> "NH2" Residue "T ARG 3": "NH1" <-> "NH2" Residue "T GLU 4": "OE1" <-> "OE2" Residue "T TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T GLU 133": "OE1" <-> "OE2" Residue "T ARG 339": "NH1" <-> "NH2" Residue "T ARG 343": "NH1" <-> "NH2" Residue "T ARG 362": "NH1" <-> "NH2" Residue "T ARG 393": "NH1" <-> "NH2" Residue "T GLU 402": "OE1" <-> "OE2" Residue "T GLU 406": "OE1" <-> "OE2" Residue "T ARG 440": "NH1" <-> "NH2" Residue "U ARG 3": "NH1" <-> "NH2" Residue "U GLU 4": "OE1" <-> "OE2" Residue "U PHE 52": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U TYR 53": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U TYR 248": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U ARG 339": "NH1" <-> "NH2" Residue "U ARG 343": "NH1" <-> "NH2" Residue "U ARG 362": "NH1" <-> "NH2" Residue "U ARG 393": "NH1" <-> "NH2" Residue "U GLU 402": "OE1" <-> "OE2" Residue "U GLU 406": "OE1" <-> "OE2" Residue "U ARG 440": "NH1" <-> "NH2" Residue "V ARG 3": "NH1" <-> "NH2" Residue "V GLU 4": "OE1" <-> "OE2" Residue "V ARG 265": "NH1" <-> "NH2" Residue "V ARG 339": "NH1" <-> "NH2" Residue "V ARG 343": "NH1" <-> "NH2" Residue "V ARG 362": "NH1" <-> "NH2" Residue "V ARG 393": "NH1" <-> "NH2" Residue "V GLU 402": "OE1" <-> "OE2" Residue "V GLU 406": "OE1" <-> "OE2" Residue "V ARG 440": "NH1" <-> "NH2" Residue "W ARG 3": "NH1" <-> "NH2" Residue "W GLU 133": "OE1" <-> "OE2" Residue "W ARG 339": "NH1" <-> "NH2" Residue "W ARG 343": "NH1" <-> "NH2" Residue "W ARG 362": "NH1" <-> "NH2" Residue "W ARG 393": "NH1" <-> "NH2" Residue "W GLU 402": "OE1" <-> "OE2" Residue "W GLU 406": "OE1" <-> "OE2" Residue "W ARG 440": "NH1" <-> "NH2" Residue "X ARG 3": "NH1" <-> "NH2" Residue "X GLU 4": "OE1" <-> "OE2" Residue "X PHE 52": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X ARG 339": "NH1" <-> "NH2" Residue "X ARG 343": "NH1" <-> "NH2" Residue "X ARG 362": "NH1" <-> "NH2" Residue "X ARG 393": "NH1" <-> "NH2" Residue "X GLU 402": "OE1" <-> "OE2" Residue "X GLU 406": "OE1" <-> "OE2" Residue "X ARG 440": "NH1" <-> "NH2" Residue "Y ARG 3": "NH1" <-> "NH2" Residue "Y GLU 4": "OE1" <-> "OE2" Residue "Y ARG 339": "NH1" <-> "NH2" Residue "Y ARG 343": "NH1" <-> "NH2" Residue "Y ARG 362": "NH1" <-> "NH2" Residue "Y ARG 393": "NH1" <-> "NH2" Residue "Y GLU 402": "OE1" <-> "OE2" Residue "Y GLU 406": "OE1" <-> "OE2" Residue "Y ARG 440": "NH1" <-> "NH2" Residue "Z ARG 3": "NH1" <-> "NH2" Residue "Z GLU 4": "OE1" <-> "OE2" Residue "Z GLU 70": "OE1" <-> "OE2" Residue "Z ARG 339": "NH1" <-> "NH2" Residue "Z ARG 343": "NH1" <-> "NH2" Residue "Z ARG 362": "NH1" <-> "NH2" Residue "Z ARG 393": "NH1" <-> "NH2" Residue "Z GLU 402": "OE1" <-> "OE2" Residue "Z GLU 406": "OE1" <-> "OE2" Residue "Z ARG 440": "NH1" <-> "NH2" Time to flip residues: 0.28s Monomer Library directory: "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5265/modules/chem_data/mon_lib" Total number of atoms: 120779 Number of models: 1 Model: "" Number of chains: 47 Chain: "1" Number of atoms: 3380 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 420, 3371 Classifications: {'peptide': 420} Incomplete info: {'truncation_to_alanine': 1} Link IDs: {'PTRANS': 20, 'TRANS': 399} Chain breaks: 5 Unresolved non-hydrogen bonds: 2 Unresolved non-hydrogen angles: 3 Unresolved non-hydrogen dihedrals: 1 Unresolved non-hydrogen chiralities: 1 Conformer: "B" Number of residues, atoms: 420, 3371 Classifications: {'peptide': 420} Incomplete info: {'truncation_to_alanine': 1} Link IDs: {'PTRANS': 20, 'TRANS': 399} Chain breaks: 5 Unresolved non-hydrogen bonds: 2 Unresolved non-hydrogen angles: 3 Unresolved non-hydrogen dihedrals: 1 Unresolved non-hydrogen chiralities: 1 bond proxies already assigned to first conformer: 3429 Chain: "2" Number of atoms: 3380 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 420, 3371 Classifications: {'peptide': 420} Incomplete info: {'truncation_to_alanine': 1} Link IDs: {'PTRANS': 20, 'TRANS': 399} Chain breaks: 5 Unresolved non-hydrogen bonds: 2 Unresolved non-hydrogen angles: 3 Unresolved non-hydrogen dihedrals: 1 Unresolved non-hydrogen chiralities: 1 Conformer: "B" Number of residues, atoms: 420, 3371 Classifications: {'peptide': 420} Incomplete info: {'truncation_to_alanine': 1} Link IDs: {'PTRANS': 20, 'TRANS': 399} Chain breaks: 5 Unresolved non-hydrogen bonds: 2 Unresolved non-hydrogen angles: 3 Unresolved non-hydrogen dihedrals: 1 Unresolved non-hydrogen chiralities: 1 bond proxies already assigned to first conformer: 3429 Chain: "3" Number of atoms: 830 Number of conformers: 1 Conformer: "" Number of residues, atoms: 102, 830 Classifications: {'peptide': 102} Incomplete info: {'truncation_to_alanine': 1} Link IDs: {'PTRANS': 3, 'TRANS': 98} Unresolved non-hydrogen bonds: 2 Unresolved non-hydrogen angles: 3 Unresolved non-hydrogen dihedrals: 1 Unresolved non-hydrogen chiralities: 1 Chain: "4" Number of atoms: 355 Number of conformers: 1 Conformer: "" Number of residues, atoms: 46, 355 Classifications: {'peptide': 46} Link IDs: {'PTRANS': 2, 'TRANS': 43} Chain breaks: 1 Chain: "5" Number of atoms: 452 Number of conformers: 1 Conformer: "" Number of residues, atoms: 60, 452 Classifications: {'peptide': 60} Link IDs: {'PTRANS': 1, 'TRANS': 58} Chain: "6" Number of atoms: 457 Number of conformers: 1 Conformer: "" Number of residues, atoms: 61, 457 Classifications: {'peptide': 61} Link IDs: {'PTRANS': 1, 'TRANS': 59} Chain: "7" Number of atoms: 1795 Number of conformers: 1 Conformer: "" Number of residues, atoms: 364, 1795 Classifications: {'peptide': 364} Incomplete info: {'truncation_to_alanine': 310} Link IDs: {'PTRANS': 18, 'TRANS': 345} Chain breaks: 1 Unresolved chain link angles: 18 Unresolved non-hydrogen bonds: 1119 Unresolved non-hydrogen angles: 1433 Unresolved non-hydrogen dihedrals: 939 Unresolved non-hydrogen chiralities: 101 Planarities with less than four sites: {'GLN:plan1': 10, 'HIS:plan': 8, 'TYR:plan': 16, 'ASN:plan1': 9, 'TRP:plan': 4, 'ASP:plan': 21, 'PHE:plan': 12, 'GLU:plan': 29, 'ARG:plan': 18} Unresolved non-hydrogen planarities: 596 Chain: "A" Number of atoms: 4978 Number of conformers: 1 Conformer: "" Number of residues, atoms: 613, 4978 Classifications: {'peptide': 613} Link IDs: {'PTRANS': 21, 'TRANS': 591} Chain breaks: 6 Chain: "B" Number of atoms: 5021 Number of conformers: 1 Conformer: "" Number of residues, atoms: 610, 5021 Classifications: {'peptide': 610} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 14, 'TRANS': 595} Chain breaks: 3 Unresolved non-hydrogen bonds: 8 Unresolved non-hydrogen angles: 11 Unresolved non-hydrogen dihedrals: 5 Unresolved non-hydrogen chiralities: 2 Planarities with less than four sites: {'ASP:plan': 1} Unresolved non-hydrogen planarities: 3 Chain: "C" Number of atoms: 5044 Number of conformers: 1 Conformer: "" Number of residues, atoms: 620, 5044 Classifications: {'peptide': 620} Link IDs: {'PTRANS': 21, 'TRANS': 598} Chain breaks: 6 Chain: "D" Number of atoms: 4796 Number of conformers: 1 Conformer: "" Number of residues, atoms: 581, 4796 Classifications: {'peptide': 581} Link IDs: {'PTRANS': 13, 'TRANS': 567} Chain breaks: 4 Chain: "E" Number of atoms: 5202 Number of conformers: 1 Conformer: "" Number of residues, atoms: 638, 5202 Classifications: {'peptide': 638} Link IDs: {'PTRANS': 21, 'TRANS': 616} Chain breaks: 5 Chain: "F" Number of atoms: 4933 Number of conformers: 1 Conformer: "" Number of residues, atoms: 599, 4933 Classifications: {'peptide': 599} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 13, 'TRANS': 585} Chain breaks: 3 Unresolved non-hydrogen bonds: 8 Unresolved non-hydrogen angles: 11 Unresolved non-hydrogen dihedrals: 5 Unresolved non-hydrogen chiralities: 2 Planarities with less than four sites: {'ASP:plan': 1} Unresolved non-hydrogen planarities: 3 Chain: "G" Number of atoms: 5186 Number of conformers: 1 Conformer: "" Number of residues, atoms: 636, 5186 Classifications: {'peptide': 636} Link IDs: {'PTRANS': 21, 'TRANS': 614} Chain breaks: 5 Chain: "H" Number of atoms: 4899 Number of conformers: 1 Conformer: "" Number of residues, atoms: 594, 4899 Classifications: {'peptide': 594} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 13, 'TRANS': 580} Chain breaks: 4 Unresolved non-hydrogen bonds: 8 Unresolved non-hydrogen angles: 11 Unresolved non-hydrogen dihedrals: 5 Unresolved non-hydrogen chiralities: 2 Planarities with less than four sites: {'ASP:plan': 1} Unresolved non-hydrogen planarities: 3 Chain: "I" Number of atoms: 4222 Number of conformers: 1 Conformer: "" Number of residues, atoms: 521, 4222 Classifications: {'peptide': 521} Incomplete info: {'truncation_to_alanine': 1} Link IDs: {'PTRANS': 18, 'TRANS': 502} Chain breaks: 4 Unresolved non-hydrogen bonds: 3 Unresolved non-hydrogen angles: 4 Unresolved non-hydrogen dihedrals: 2 Unresolved non-hydrogen chiralities: 1 Chain: "J" Number of atoms: 4847 Number of conformers: 1 Conformer: "" Number of residues, atoms: 601, 4847 Classifications: {'peptide': 601} Incomplete info: {'truncation_to_alanine': 18} Link IDs: {'PTRANS': 17, 'TRANS': 583} Chain breaks: 6 Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 58 Unresolved non-hydrogen angles: 74 Unresolved non-hydrogen dihedrals: 48 Unresolved non-hydrogen chiralities: 5 Planarities with less than four sites: {'GLN:plan1': 1, 'ASP:plan': 1, 'TYR:plan': 1, 'HIS:plan': 1, 'GLU:plan': 1, 'ARG:plan': 2} Unresolved non-hydrogen planarities: 33 Chain: "K" Number of atoms: 4579 Number of conformers: 1 Conformer: "" Number of residues, atoms: 562, 4579 Classifications: {'peptide': 562} Link IDs: {'PTRANS': 18, 'TRANS': 543} Chain breaks: 6 Chain: "L" Number of atoms: 5413 Number of conformers: 1 Conformer: "" Number of residues, atoms: 679, 5413 Classifications: {'peptide': 679} Link IDs: {'PTRANS': 36, 'TRANS': 642} Chain breaks: 1 Chain: "M" Number of atoms: 5186 Number of conformers: 1 Conformer: "" Number of residues, atoms: 636, 5186 Classifications: {'peptide': 636} Link IDs: {'PTRANS': 21, 'TRANS': 614} Chain breaks: 5 Chain: "N" Number of atoms: 4899 Number of conformers: 1 Conformer: "" Number of residues, atoms: 594, 4899 Classifications: {'peptide': 594} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 13, 'TRANS': 580} Chain breaks: 4 Unresolved non-hydrogen bonds: 8 Unresolved non-hydrogen angles: 11 Unresolved non-hydrogen dihedrals: 5 Unresolved non-hydrogen chiralities: 2 Planarities with less than four sites: {'ASP:plan': 1} Unresolved non-hydrogen planarities: 3 Chain: "O" Number of atoms: 3380 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 420, 3371 Classifications: {'peptide': 420} Incomplete info: {'truncation_to_alanine': 1} Link IDs: {'PTRANS': 20, 'TRANS': 399} Chain breaks: 5 Unresolved non-hydrogen bonds: 2 Unresolved non-hydrogen angles: 3 Unresolved non-hydrogen dihedrals: 1 Unresolved non-hydrogen chiralities: 1 Conformer: "B" Number of residues, atoms: 420, 3371 Classifications: {'peptide': 420} Incomplete info: {'truncation_to_alanine': 1} Link IDs: {'PTRANS': 20, 'TRANS': 399} Chain breaks: 5 Unresolved non-hydrogen bonds: 2 Unresolved non-hydrogen angles: 3 Unresolved non-hydrogen dihedrals: 1 Unresolved non-hydrogen chiralities: 1 bond proxies already assigned to first conformer: 3429 Chain: "P" Number of atoms: 3380 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 420, 3371 Classifications: {'peptide': 420} Incomplete info: {'truncation_to_alanine': 1} Link IDs: {'PTRANS': 20, 'TRANS': 399} Chain breaks: 5 Unresolved non-hydrogen bonds: 2 Unresolved non-hydrogen angles: 3 Unresolved non-hydrogen dihedrals: 1 Unresolved non-hydrogen chiralities: 1 Conformer: "B" Number of residues, atoms: 420, 3371 Classifications: {'peptide': 420} Incomplete info: {'truncation_to_alanine': 1} Link IDs: {'PTRANS': 20, 'TRANS': 399} Chain breaks: 5 Unresolved non-hydrogen bonds: 2 Unresolved non-hydrogen angles: 3 Unresolved non-hydrogen dihedrals: 1 Unresolved non-hydrogen chiralities: 1 bond proxies already assigned to first conformer: 3429 Chain: "Q" Number of atoms: 3380 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 420, 3371 Classifications: {'peptide': 420} Incomplete info: {'truncation_to_alanine': 1} Link IDs: {'PTRANS': 20, 'TRANS': 399} Chain breaks: 5 Unresolved non-hydrogen bonds: 2 Unresolved non-hydrogen angles: 3 Unresolved non-hydrogen dihedrals: 1 Unresolved non-hydrogen chiralities: 1 Conformer: "B" Number of residues, atoms: 420, 3371 Classifications: {'peptide': 420} Incomplete info: {'truncation_to_alanine': 1} Link IDs: {'PTRANS': 20, 'TRANS': 399} Chain breaks: 5 Unresolved non-hydrogen bonds: 2 Unresolved non-hydrogen angles: 3 Unresolved non-hydrogen dihedrals: 1 Unresolved non-hydrogen chiralities: 1 bond proxies already assigned to first conformer: 3429 Chain: "R" Number of atoms: 3380 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 420, 3371 Classifications: {'peptide': 420} Incomplete info: {'truncation_to_alanine': 1} Link IDs: {'PTRANS': 20, 'TRANS': 399} Chain breaks: 5 Unresolved non-hydrogen bonds: 2 Unresolved non-hydrogen angles: 3 Unresolved non-hydrogen dihedrals: 1 Unresolved non-hydrogen chiralities: 1 Conformer: "B" Number of residues, atoms: 420, 3371 Classifications: {'peptide': 420} Incomplete info: {'truncation_to_alanine': 1} Link IDs: {'PTRANS': 20, 'TRANS': 399} Chain breaks: 5 Unresolved non-hydrogen bonds: 2 Unresolved non-hydrogen angles: 3 Unresolved non-hydrogen dihedrals: 1 Unresolved non-hydrogen chiralities: 1 bond proxies already assigned to first conformer: 3429 Chain: "S" Number of atoms: 3380 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 420, 3371 Classifications: {'peptide': 420} Incomplete info: {'truncation_to_alanine': 1} Link IDs: {'PTRANS': 20, 'TRANS': 399} Chain breaks: 5 Unresolved non-hydrogen bonds: 2 Unresolved non-hydrogen angles: 3 Unresolved non-hydrogen dihedrals: 1 Unresolved non-hydrogen chiralities: 1 Conformer: "B" Number of residues, atoms: 420, 3371 Classifications: {'peptide': 420} Incomplete info: {'truncation_to_alanine': 1} Link IDs: {'PTRANS': 20, 'TRANS': 399} Chain breaks: 5 Unresolved non-hydrogen bonds: 2 Unresolved non-hydrogen angles: 3 Unresolved non-hydrogen dihedrals: 1 Unresolved non-hydrogen chiralities: 1 bond proxies already assigned to first conformer: 3429 Chain: "T" Number of atoms: 3380 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 420, 3371 Classifications: {'peptide': 420} Incomplete info: {'truncation_to_alanine': 1} Link IDs: {'PTRANS': 20, 'TRANS': 399} Chain breaks: 5 Unresolved non-hydrogen bonds: 2 Unresolved non-hydrogen angles: 3 Unresolved non-hydrogen dihedrals: 1 Unresolved non-hydrogen chiralities: 1 Conformer: "B" Number of residues, atoms: 420, 3371 Classifications: {'peptide': 420} Incomplete info: {'truncation_to_alanine': 1} Link IDs: {'PTRANS': 20, 'TRANS': 399} Chain breaks: 5 Unresolved non-hydrogen bonds: 2 Unresolved non-hydrogen angles: 3 Unresolved non-hydrogen dihedrals: 1 Unresolved non-hydrogen chiralities: 1 bond proxies already assigned to first conformer: 3429 Chain: "U" Number of atoms: 3380 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 420, 3371 Classifications: {'peptide': 420} Incomplete info: {'truncation_to_alanine': 1} Link IDs: {'PTRANS': 20, 'TRANS': 399} Chain breaks: 5 Unresolved non-hydrogen bonds: 2 Unresolved non-hydrogen angles: 3 Unresolved non-hydrogen dihedrals: 1 Unresolved non-hydrogen chiralities: 1 Conformer: "B" Number of residues, atoms: 420, 3371 Classifications: {'peptide': 420} Incomplete info: {'truncation_to_alanine': 1} Link IDs: {'PTRANS': 20, 'TRANS': 399} Chain breaks: 5 Unresolved non-hydrogen bonds: 2 Unresolved non-hydrogen angles: 3 Unresolved non-hydrogen dihedrals: 1 Unresolved non-hydrogen chiralities: 1 bond proxies already assigned to first conformer: 3429 Chain: "V" Number of atoms: 3380 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 420, 3371 Classifications: {'peptide': 420} Incomplete info: {'truncation_to_alanine': 1} Link IDs: {'PTRANS': 20, 'TRANS': 399} Chain breaks: 5 Unresolved non-hydrogen bonds: 2 Unresolved non-hydrogen angles: 3 Unresolved non-hydrogen dihedrals: 1 Unresolved non-hydrogen chiralities: 1 Conformer: "B" Number of residues, atoms: 420, 3371 Classifications: {'peptide': 420} Incomplete info: {'truncation_to_alanine': 1} Link IDs: {'PTRANS': 20, 'TRANS': 399} Chain breaks: 5 Unresolved non-hydrogen bonds: 2 Unresolved non-hydrogen angles: 3 Unresolved non-hydrogen dihedrals: 1 Unresolved non-hydrogen chiralities: 1 bond proxies already assigned to first conformer: 3429 Chain: "W" Number of atoms: 3371 Number of conformers: 1 Conformer: "" Number of residues, atoms: 420, 3371 Classifications: {'peptide': 420} Incomplete info: {'truncation_to_alanine': 1} Link IDs: {'PTRANS': 20, 'TRANS': 399} Chain breaks: 5 Unresolved non-hydrogen bonds: 2 Unresolved non-hydrogen angles: 3 Unresolved non-hydrogen dihedrals: 1 Unresolved non-hydrogen chiralities: 1 Chain: "X" Number of atoms: 3371 Number of conformers: 1 Conformer: "" Number of residues, atoms: 420, 3371 Classifications: {'peptide': 420} Incomplete info: {'truncation_to_alanine': 1} Link IDs: {'PTRANS': 20, 'TRANS': 399} Chain breaks: 5 Unresolved non-hydrogen bonds: 2 Unresolved non-hydrogen angles: 3 Unresolved non-hydrogen dihedrals: 1 Unresolved non-hydrogen chiralities: 1 Chain: "Y" Number of atoms: 3380 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 420, 3371 Classifications: {'peptide': 420} Incomplete info: {'truncation_to_alanine': 1} Link IDs: {'PTRANS': 20, 'TRANS': 399} Chain breaks: 5 Unresolved non-hydrogen bonds: 2 Unresolved non-hydrogen angles: 3 Unresolved non-hydrogen dihedrals: 1 Unresolved non-hydrogen chiralities: 1 Conformer: "B" Number of residues, atoms: 420, 3371 Classifications: {'peptide': 420} Incomplete info: {'truncation_to_alanine': 1} Link IDs: {'PTRANS': 20, 'TRANS': 399} Chain breaks: 5 Unresolved non-hydrogen bonds: 2 Unresolved non-hydrogen angles: 3 Unresolved non-hydrogen dihedrals: 1 Unresolved non-hydrogen chiralities: 1 bond proxies already assigned to first conformer: 3429 Chain: "Z" Number of atoms: 3371 Number of conformers: 1 Conformer: "" Number of residues, atoms: 420, 3371 Classifications: {'peptide': 420} Incomplete info: {'truncation_to_alanine': 1} Link IDs: {'PTRANS': 20, 'TRANS': 399} Chain breaks: 5 Unresolved non-hydrogen bonds: 2 Unresolved non-hydrogen angles: 3 Unresolved non-hydrogen dihedrals: 1 Unresolved non-hydrogen chiralities: 1 Chain: "1" Number of atoms: 28 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 28 Unusual residues: {'GDP': 1} Classifications: {'undetermined': 1} Chain: "2" Number of atoms: 28 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 28 Unusual residues: {'GDP': 1} Classifications: {'undetermined': 1} Chain: "O" Number of atoms: 28 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 28 Unusual residues: {'GDP': 1} Classifications: {'undetermined': 1} Chain: "P" Number of atoms: 28 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 28 Unusual residues: {'GDP': 1} Classifications: {'undetermined': 1} Chain: "Q" Number of atoms: 28 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 28 Unusual residues: {'GDP': 1} Classifications: {'undetermined': 1} Chain: "R" Number of atoms: 28 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 28 Unusual residues: {'GDP': 1} Classifications: {'undetermined': 1} Chain: "S" Number of atoms: 28 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 28 Unusual residues: {'GDP': 1} Classifications: {'undetermined': 1} Chain: "T" Number of atoms: 28 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 28 Unusual residues: {'GDP': 1} Classifications: {'undetermined': 1} Chain: "U" Number of atoms: 28 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 28 Unusual residues: {'GDP': 1} Classifications: {'undetermined': 1} Chain: "V" Number of atoms: 28 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 28 Unusual residues: {'GDP': 1} Classifications: {'undetermined': 1} Chain: "W" Number of atoms: 28 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 28 Unusual residues: {'GDP': 1} Classifications: {'undetermined': 1} Chain: "X" Number of atoms: 28 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 28 Unusual residues: {'GDP': 1} Classifications: {'undetermined': 1} Chain: "Y" Number of atoms: 28 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 28 Unusual residues: {'GDP': 1} Classifications: {'undetermined': 1} Chain: "Z" Number of atoms: 28 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 28 Unusual residues: {'GDP': 1} Classifications: {'undetermined': 1} Residues with excluded nonbonded symmetry interactions: 11 residue: pdb=" N AGLU 1 39 " occ=0.50 ... (16 atoms not shown) pdb=" OE2BGLU 1 39 " occ=0.50 residue: pdb=" N AGLU 2 39 " occ=0.50 ... (16 atoms not shown) pdb=" OE2BGLU 2 39 " occ=0.50 residue: pdb=" N AGLU O 39 " occ=0.50 ... (16 atoms not shown) pdb=" OE2BGLU O 39 " occ=0.50 residue: pdb=" N AGLU P 39 " occ=0.50 ... (16 atoms not shown) pdb=" OE2BGLU P 39 " occ=0.50 residue: pdb=" N AGLU Q 39 " occ=0.50 ... (16 atoms not shown) pdb=" OE2BGLU Q 39 " occ=0.50 residue: pdb=" N AGLU R 39 " occ=0.50 ... (16 atoms not shown) pdb=" OE2BGLU R 39 " occ=0.50 residue: pdb=" N AGLU S 39 " occ=0.50 ... (16 atoms not shown) pdb=" OE2BGLU S 39 " occ=0.50 residue: pdb=" N AGLU T 39 " occ=0.50 ... (16 atoms not shown) pdb=" OE2BGLU T 39 " occ=0.50 residue: pdb=" N AGLU U 39 " occ=0.50 ... (16 atoms not shown) pdb=" OE2BGLU U 39 " occ=0.50 residue: pdb=" N AGLU V 39 " occ=0.50 ... (16 atoms not shown) pdb=" OE2BGLU V 39 " occ=0.50 residue: pdb=" N AGLU Y 39 " occ=0.50 ... (16 atoms not shown) pdb=" OE2BGLU Y 39 " occ=0.50 Time building chain proxies: 56.21, per 1000 atoms: 0.47 Number of scatterers: 120779 At special positions: 0 Unit cell: (252.142, 340.885, 311.304, 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 599 16.00 P 28 15.00 O 22329 8.00 N 20870 7.00 C 76953 6.00 sf(0) = scattering factor at diffraction angle 0. Number of disulfides: simple=0, symmetry=0 Automatic linking Parameters for automatic linking Linking & cutoffs Metal : Auto - 3.50 Amino acid : False - 1.90 Carbohydrate : True - 1.99 Ligands : True - 1.99 Small molecules : False - 1.98 Amino acid - RNA/DNA : False Number of custom bonds: simple=0, symmetry=0 Time building additional restraints: -1540.38 Conformation dependent library (CDL) restraints added in 18.9 seconds 29392 Ramachandran restraints generated. 14696 Oldfield, 0 Emsley, 14696 emsley8k and 0 Phi/Psi/2. Adding C-beta torsion restraints... Number of C-beta restraints generated: 28662 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... Secondary structure from input PDB file: 594 helices and 49 sheets defined 66.5% alpha, 6.2% beta 0 base pairs and 0 stacking pairs defined. Time for finding SS restraints: 39.25 Creating SS restraints... Processing helix chain '1' and resid 11 through 29 Processing helix chain '1' and resid 71 through 80 removed outlier: 5.686A pdb=" N HIS 1 75 " --> pdb=" O PRO 1 71 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N SER 1 76 " --> pdb=" O ARG 1 72 " (cutoff:3.500A) removed outlier: 4.026A pdb=" N SER 1 80 " --> pdb=" O SER 1 76 " (cutoff:3.500A) Processing helix chain '1' and resid 82 through 87 removed outlier: 4.383A pdb=" N ASN 1 87 " --> pdb=" O ALA 1 83 " (cutoff:3.500A) Processing helix chain '1' and resid 103 through 115 removed outlier: 3.710A pdb=" N LYS 1 113 " --> pdb=" O SER 1 109 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N ILE 1 114 " --> pdb=" O GLN 1 110 " (cutoff:3.500A) Processing helix chain '1' and resid 116 through 130 removed outlier: 3.655A pdb=" N GLU 1 125 " --> pdb=" O ILE 1 121 " (cutoff:3.500A) removed outlier: 5.553A pdb=" N ASP 1 130 " --> pdb=" O ALA 1 126 " (cutoff:3.500A) Processing helix chain '1' and resid 144 through 162 removed outlier: 4.936A pdb=" N GLY 1 148 " --> pdb=" O GLY 1 144 " (cutoff:3.500A) removed outlier: 3.668A pdb=" N LEU 1 149 " --> pdb=" O THR 1 145 " (cutoff:3.500A) removed outlier: 5.954A pdb=" N SER 1 151 " --> pdb=" O SER 1 147 " (cutoff:3.500A) removed outlier: 3.807A pdb=" N ASN 1 158 " --> pdb=" O LEU 1 154 " (cutoff:3.500A) removed outlier: 3.833A pdb=" N ASP 1 159 " --> pdb=" O GLU 1 155 " (cutoff:3.500A) Proline residue: 1 162 - end of helix Processing helix chain '1' and resid 183 through 198 removed outlier: 3.522A pdb=" N LYS 1 193 " --> pdb=" O LEU 1 189 " (cutoff:3.500A) Processing helix chain '1' and resid 206 through 218 Processing helix chain '1' and resid 226 through 246 removed outlier: 4.184A pdb=" N GLN 1 230 " --> pdb=" O SER 1 226 " (cutoff:3.500A) removed outlier: 3.740A pdb=" N LEU 1 231 " --> pdb=" O GLN 1 227 " (cutoff:3.500A) removed outlier: 3.514A pdb=" N ILE 1 235 " --> pdb=" O LEU 1 231 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N THR 1 240 " --> pdb=" O MET 1 236 " (cutoff:3.500A) removed outlier: 4.865A pdb=" N THR 1 242 " --> pdb=" O ALA 1 238 " (cutoff:3.500A) removed outlier: 6.039A pdb=" N LEU 1 243 " --> pdb=" O SER 1 239 " (cutoff:3.500A) Proline residue: 1 246 - end of helix Processing helix chain '1' and resid 252 through 262 removed outlier: 4.734A pdb=" N SER 1 259 " --> pdb=" O GLY 1 255 " (cutoff:3.500A) removed outlier: 4.005A pdb=" N LEU 1 260 " --> pdb=" O LEU 1 256 " (cutoff:3.500A) Proline residue: 1 262 - end of helix Processing helix chain '1' and resid 289 through 300 removed outlier: 3.553A pdb=" N GLN 1 299 " --> pdb=" O ARG 1 295 " (cutoff:3.500A) Proline residue: 1 300 - end of helix Processing helix chain '1' and resid 330 through 344 removed outlier: 4.250A pdb=" N HIS 1 334 " --> pdb=" O PRO 1 330 " (cutoff:3.500A) removed outlier: 3.586A pdb=" N LYS 1 335 " --> pdb=" O THR 1 331 " (cutoff:3.500A) Processing helix chain '1' and resid 381 through 402 removed outlier: 4.763A pdb=" N SER 1 385 " --> pdb=" O HIS 1 381 " (cutoff:3.500A) removed outlier: 4.346A pdb=" N SER 1 386 " --> pdb=" O THR 1 382 " (cutoff:3.500A) removed outlier: 3.923A pdb=" N LEU 1 387 " --> pdb=" O SER 1 383 " (cutoff:3.500A) removed outlier: 3.538A pdb=" N THR 1 391 " --> pdb=" O LEU 1 387 " (cutoff:3.500A) Processing helix chain '1' and resid 408 through 415 Processing helix chain '1' and resid 418 through 441 removed outlier: 4.142A pdb=" N ASP 1 422 " --> pdb=" O PHE 1 418 " (cutoff:3.500A) Proline residue: 1 441 - end of helix Processing helix chain '1' and resid 442 through 447 removed outlier: 5.494A pdb=" N TRP 1 446 " --> pdb=" O ASP 1 442 " (cutoff:3.500A) removed outlier: 5.273A pdb=" N GLY 1 447 " --> pdb=" O TYR 1 443 " (cutoff:3.500A) No H-bonds generated for 'chain '1' and resid 442 through 447' Processing helix chain '2' and resid 11 through 29 Processing helix chain '2' and resid 71 through 80 removed outlier: 5.867A pdb=" N HIS 2 75 " --> pdb=" O PRO 2 71 " (cutoff:3.500A) removed outlier: 3.732A pdb=" N SER 2 76 " --> pdb=" O ARG 2 72 " (cutoff:3.500A) removed outlier: 4.144A pdb=" N SER 2 80 " --> pdb=" O SER 2 76 " (cutoff:3.500A) Processing helix chain '2' and resid 82 through 87 removed outlier: 4.383A pdb=" N ASN 2 87 " --> pdb=" O ALA 2 83 " (cutoff:3.500A) Processing helix chain '2' and resid 103 through 115 removed outlier: 3.712A pdb=" N LYS 2 113 " --> pdb=" O SER 2 109 " (cutoff:3.500A) removed outlier: 3.849A pdb=" N ILE 2 114 " --> pdb=" O GLN 2 110 " (cutoff:3.500A) Processing helix chain '2' and resid 116 through 130 removed outlier: 3.655A pdb=" N GLU 2 125 " --> pdb=" O ILE 2 121 " (cutoff:3.500A) removed outlier: 5.556A pdb=" N ASP 2 130 " --> pdb=" O ALA 2 126 " (cutoff:3.500A) Processing helix chain '2' and resid 144 through 162 removed outlier: 4.937A pdb=" N GLY 2 148 " --> pdb=" O GLY 2 144 " (cutoff:3.500A) removed outlier: 3.669A pdb=" N LEU 2 149 " --> pdb=" O THR 2 145 " (cutoff:3.500A) removed outlier: 5.955A pdb=" N SER 2 151 " --> pdb=" O SER 2 147 " (cutoff:3.500A) removed outlier: 3.804A pdb=" N ASN 2 158 " --> pdb=" O LEU 2 154 " (cutoff:3.500A) removed outlier: 3.833A pdb=" N ASP 2 159 " --> pdb=" O GLU 2 155 " (cutoff:3.500A) Proline residue: 2 162 - end of helix Processing helix chain '2' and resid 183 through 198 removed outlier: 3.523A pdb=" N LYS 2 193 " --> pdb=" O LEU 2 189 " (cutoff:3.500A) removed outlier: 3.603A pdb=" N GLN 2 197 " --> pdb=" O LYS 2 193 " (cutoff:3.500A) Processing helix chain '2' and resid 206 through 218 Processing helix chain '2' and resid 226 through 246 removed outlier: 4.184A pdb=" N GLN 2 230 " --> pdb=" O SER 2 226 " (cutoff:3.500A) removed outlier: 3.730A pdb=" N LEU 2 231 " --> pdb=" O GLN 2 227 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N THR 2 240 " --> pdb=" O MET 2 236 " (cutoff:3.500A) removed outlier: 4.888A pdb=" N THR 2 242 " --> pdb=" O ALA 2 238 " (cutoff:3.500A) removed outlier: 6.039A pdb=" N LEU 2 243 " --> pdb=" O SER 2 239 " (cutoff:3.500A) Proline residue: 2 246 - end of helix Processing helix chain '2' and resid 252 through 262 removed outlier: 3.548A pdb=" N LEU 2 256 " --> pdb=" O ASP 2 252 " (cutoff:3.500A) removed outlier: 4.734A pdb=" N SER 2 259 " --> pdb=" O GLY 2 255 " (cutoff:3.500A) removed outlier: 4.004A pdb=" N LEU 2 260 " --> pdb=" O LEU 2 256 " (cutoff:3.500A) Proline residue: 2 262 - end of helix Processing helix chain '2' and resid 289 through 300 removed outlier: 3.553A pdb=" N GLN 2 299 " --> pdb=" O ARG 2 295 " (cutoff:3.500A) Proline residue: 2 300 - end of helix Processing helix chain '2' and resid 330 through 344 removed outlier: 5.195A pdb=" N HIS 2 334 " --> pdb=" O PRO 2 330 " (cutoff:3.500A) removed outlier: 5.277A pdb=" N LYS 2 335 " --> pdb=" O THR 2 331 " (cutoff:3.500A) removed outlier: 4.225A pdb=" N LEU 2 337 " --> pdb=" O VAL 2 333 " (cutoff:3.500A) removed outlier: 3.612A pdb=" N ARG 2 339 " --> pdb=" O LYS 2 335 " (cutoff:3.500A) Processing helix chain '2' and resid 381 through 402 removed outlier: 4.764A pdb=" N SER 2 385 " --> pdb=" O HIS 2 381 " (cutoff:3.500A) removed outlier: 4.345A pdb=" N SER 2 386 " --> pdb=" O THR 2 382 " (cutoff:3.500A) removed outlier: 3.923A pdb=" N LEU 2 387 " --> pdb=" O SER 2 383 " (cutoff:3.500A) removed outlier: 3.538A pdb=" N THR 2 391 " --> pdb=" O LEU 2 387 " (cutoff:3.500A) Processing helix chain '2' and resid 408 through 415 Processing helix chain '2' and resid 418 through 441 removed outlier: 4.142A pdb=" N ASP 2 422 " --> pdb=" O PHE 2 418 " (cutoff:3.500A) Proline residue: 2 441 - end of helix Processing helix chain '2' and resid 442 through 447 removed outlier: 5.145A pdb=" N TRP 2 446 " --> pdb=" O ASP 2 442 " (cutoff:3.500A) removed outlier: 5.100A pdb=" N GLY 2 447 " --> pdb=" O TYR 2 443 " (cutoff:3.500A) No H-bonds generated for 'chain '2' and resid 442 through 447' Processing helix chain 'O' and resid 11 through 29 Processing helix chain 'O' and resid 71 through 80 removed outlier: 5.988A pdb=" N HIS O 75 " --> pdb=" O PRO O 71 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N SER O 76 " --> pdb=" O ARG O 72 " (cutoff:3.500A) removed outlier: 4.145A pdb=" N SER O 80 " --> pdb=" O SER O 76 " (cutoff:3.500A) Processing helix chain 'O' and resid 82 through 87 removed outlier: 4.382A pdb=" N ASN O 87 " --> pdb=" O ALA O 83 " (cutoff:3.500A) Processing helix chain 'O' and resid 103 through 115 removed outlier: 3.711A pdb=" N LYS O 113 " --> pdb=" O SER O 109 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N ILE O 114 " --> pdb=" O GLN O 110 " (cutoff:3.500A) Processing helix chain 'O' and resid 116 through 130 removed outlier: 3.656A pdb=" N GLU O 125 " --> pdb=" O ILE O 121 " (cutoff:3.500A) removed outlier: 5.554A pdb=" N ASP O 130 " --> pdb=" O ALA O 126 " (cutoff:3.500A) Processing helix chain 'O' and resid 144 through 162 removed outlier: 4.937A pdb=" N GLY O 148 " --> pdb=" O GLY O 144 " (cutoff:3.500A) removed outlier: 3.669A pdb=" N LEU O 149 " --> pdb=" O THR O 145 " (cutoff:3.500A) removed outlier: 5.955A pdb=" N SER O 151 " --> pdb=" O SER O 147 " (cutoff:3.500A) removed outlier: 3.807A pdb=" N ASN O 158 " --> pdb=" O LEU O 154 " (cutoff:3.500A) removed outlier: 3.834A pdb=" N ASP O 159 " --> pdb=" O GLU O 155 " (cutoff:3.500A) Proline residue: O 162 - end of helix Processing helix chain 'O' and resid 183 through 198 removed outlier: 3.522A pdb=" N LYS O 193 " --> pdb=" O LEU O 189 " (cutoff:3.500A) Processing helix chain 'O' and resid 206 through 218 Processing helix chain 'O' and resid 226 through 246 removed outlier: 4.185A pdb=" N GLN O 230 " --> pdb=" O SER O 226 " (cutoff:3.500A) removed outlier: 3.729A pdb=" N LEU O 231 " --> pdb=" O GLN O 227 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N THR O 240 " --> pdb=" O MET O 236 " (cutoff:3.500A) removed outlier: 4.864A pdb=" N THR O 242 " --> pdb=" O ALA O 238 " (cutoff:3.500A) removed outlier: 6.039A pdb=" N LEU O 243 " --> pdb=" O SER O 239 " (cutoff:3.500A) Proline residue: O 246 - end of helix Processing helix chain 'O' and resid 252 through 262 removed outlier: 4.734A pdb=" N SER O 259 " --> pdb=" O GLY O 255 " (cutoff:3.500A) removed outlier: 4.004A pdb=" N LEU O 260 " --> pdb=" O LEU O 256 " (cutoff:3.500A) Proline residue: O 262 - end of helix Processing helix chain 'O' and resid 289 through 300 removed outlier: 3.553A pdb=" N GLN O 299 " --> pdb=" O ARG O 295 " (cutoff:3.500A) Proline residue: O 300 - end of helix Processing helix chain 'O' and resid 330 through 344 removed outlier: 4.676A pdb=" N HIS O 334 " --> pdb=" O PRO O 330 " (cutoff:3.500A) removed outlier: 4.389A pdb=" N LYS O 335 " --> pdb=" O THR O 331 " (cutoff:3.500A) Processing helix chain 'O' and resid 381 through 402 removed outlier: 4.762A pdb=" N SER O 385 " --> pdb=" O HIS O 381 " (cutoff:3.500A) removed outlier: 4.345A pdb=" N SER O 386 " --> pdb=" O THR O 382 " (cutoff:3.500A) removed outlier: 3.923A pdb=" N LEU O 387 " --> pdb=" O SER O 383 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N THR O 391 " --> pdb=" O LEU O 387 " (cutoff:3.500A) Processing helix chain 'O' and resid 408 through 415 Processing helix chain 'O' and resid 418 through 441 removed outlier: 4.142A pdb=" N ASP O 422 " --> pdb=" O PHE O 418 " (cutoff:3.500A) Proline residue: O 441 - end of helix Processing helix chain 'O' and resid 442 through 447 removed outlier: 5.494A pdb=" N TRP O 446 " --> pdb=" O ASP O 442 " (cutoff:3.500A) removed outlier: 5.274A pdb=" N GLY O 447 " --> pdb=" O TYR O 443 " (cutoff:3.500A) No H-bonds generated for 'chain 'O' and resid 442 through 447' Processing helix chain 'P' and resid 11 through 29 Processing helix chain 'P' and resid 71 through 80 removed outlier: 3.687A pdb=" N SER P 76 " --> pdb=" O ARG P 72 " (cutoff:3.500A) removed outlier: 3.792A pdb=" N ILE P 77 " --> pdb=" O VAL P 73 " (cutoff:3.500A) removed outlier: 3.984A pdb=" N SER P 80 " --> pdb=" O SER P 76 " (cutoff:3.500A) Processing helix chain 'P' and resid 82 through 87 removed outlier: 4.383A pdb=" N ASN P 87 " --> pdb=" O ALA P 83 " (cutoff:3.500A) Processing helix chain 'P' and resid 103 through 115 removed outlier: 3.711A pdb=" N LYS P 113 " --> pdb=" O SER P 109 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N ILE P 114 " --> pdb=" O GLN P 110 " (cutoff:3.500A) Processing helix chain 'P' and resid 116 through 130 removed outlier: 3.656A pdb=" N GLU P 125 " --> pdb=" O ILE P 121 " (cutoff:3.500A) removed outlier: 5.554A pdb=" N ASP P 130 " --> pdb=" O ALA P 126 " (cutoff:3.500A) Processing helix chain 'P' and resid 144 through 162 removed outlier: 4.937A pdb=" N GLY P 148 " --> pdb=" O GLY P 144 " (cutoff:3.500A) removed outlier: 3.668A pdb=" N LEU P 149 " --> pdb=" O THR P 145 " (cutoff:3.500A) removed outlier: 5.955A pdb=" N SER P 151 " --> pdb=" O SER P 147 " (cutoff:3.500A) removed outlier: 3.806A pdb=" N ASN P 158 " --> pdb=" O LEU P 154 " (cutoff:3.500A) removed outlier: 3.833A pdb=" N ASP P 159 " --> pdb=" O GLU P 155 " (cutoff:3.500A) Proline residue: P 162 - end of helix Processing helix chain 'P' and resid 183 through 198 removed outlier: 3.522A pdb=" N LYS P 193 " --> pdb=" O LEU P 189 " (cutoff:3.500A) Processing helix chain 'P' and resid 206 through 218 Processing helix chain 'P' and resid 226 through 246 removed outlier: 4.185A pdb=" N GLN P 230 " --> pdb=" O SER P 226 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N LEU P 231 " --> pdb=" O GLN P 227 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N THR P 240 " --> pdb=" O MET P 236 " (cutoff:3.500A) removed outlier: 4.953A pdb=" N THR P 242 " --> pdb=" O ALA P 238 " (cutoff:3.500A) removed outlier: 6.348A pdb=" N LEU P 243 " --> pdb=" O SER P 239 " (cutoff:3.500A) Proline residue: P 246 - end of helix Processing helix chain 'P' and resid 252 through 262 removed outlier: 3.513A pdb=" N LEU P 256 " --> pdb=" O ASP P 252 " (cutoff:3.500A) removed outlier: 4.733A pdb=" N SER P 259 " --> pdb=" O GLY P 255 " (cutoff:3.500A) removed outlier: 4.003A pdb=" N LEU P 260 " --> pdb=" O LEU P 256 " (cutoff:3.500A) Proline residue: P 262 - end of helix Processing helix chain 'P' and resid 289 through 300 removed outlier: 3.766A pdb=" N GLN P 299 " --> pdb=" O ARG P 295 " (cutoff:3.500A) Proline residue: P 300 - end of helix Processing helix chain 'P' and resid 330 through 344 removed outlier: 4.266A pdb=" N HIS P 334 " --> pdb=" O PRO P 330 " (cutoff:3.500A) removed outlier: 3.579A pdb=" N LYS P 335 " --> pdb=" O THR P 331 " (cutoff:3.500A) Processing helix chain 'P' and resid 381 through 402 removed outlier: 4.763A pdb=" N SER P 385 " --> pdb=" O HIS P 381 " (cutoff:3.500A) removed outlier: 4.345A pdb=" N SER P 386 " --> pdb=" O THR P 382 " (cutoff:3.500A) removed outlier: 3.925A pdb=" N LEU P 387 " --> pdb=" O SER P 383 " (cutoff:3.500A) removed outlier: 3.538A pdb=" N THR P 391 " --> pdb=" O LEU P 387 " (cutoff:3.500A) Processing helix chain 'P' and resid 408 through 415 Processing helix chain 'P' and resid 418 through 441 removed outlier: 4.143A pdb=" N ASP P 422 " --> pdb=" O PHE P 418 " (cutoff:3.500A) Proline residue: P 441 - end of helix Processing helix chain 'P' and resid 442 through 447 removed outlier: 5.472A pdb=" N TRP P 446 " --> pdb=" O ASP P 442 " (cutoff:3.500A) removed outlier: 5.263A pdb=" N GLY P 447 " --> pdb=" O TYR P 443 " (cutoff:3.500A) No H-bonds generated for 'chain 'P' and resid 442 through 447' Processing helix chain 'Q' and resid 11 through 29 Processing helix chain 'Q' and resid 71 through 80 removed outlier: 5.773A pdb=" N HIS Q 75 " --> pdb=" O PRO Q 71 " (cutoff:3.500A) removed outlier: 3.651A pdb=" N SER Q 76 " --> pdb=" O ARG Q 72 " (cutoff:3.500A) removed outlier: 4.145A pdb=" N SER Q 80 " --> pdb=" O SER Q 76 " (cutoff:3.500A) Processing helix chain 'Q' and resid 82 through 87 removed outlier: 4.383A pdb=" N ASN Q 87 " --> pdb=" O ALA Q 83 " (cutoff:3.500A) Processing helix chain 'Q' and resid 103 through 115 removed outlier: 3.712A pdb=" N LYS Q 113 " --> pdb=" O SER Q 109 " (cutoff:3.500A) removed outlier: 3.852A pdb=" N ILE Q 114 " --> pdb=" O GLN Q 110 " (cutoff:3.500A) Processing helix chain 'Q' and resid 116 through 130 removed outlier: 3.656A pdb=" N GLU Q 125 " --> pdb=" O ILE Q 121 " (cutoff:3.500A) removed outlier: 5.555A pdb=" N ASP Q 130 " --> pdb=" O ALA Q 126 " (cutoff:3.500A) Processing helix chain 'Q' and resid 144 through 162 removed outlier: 4.937A pdb=" N GLY Q 148 " --> pdb=" O GLY Q 144 " (cutoff:3.500A) removed outlier: 3.669A pdb=" N LEU Q 149 " --> pdb=" O THR Q 145 " (cutoff:3.500A) removed outlier: 5.954A pdb=" N SER Q 151 " --> pdb=" O SER Q 147 " (cutoff:3.500A) removed outlier: 3.806A pdb=" N ASN Q 158 " --> pdb=" O LEU Q 154 " (cutoff:3.500A) removed outlier: 3.833A pdb=" N ASP Q 159 " --> pdb=" O GLU Q 155 " (cutoff:3.500A) Proline residue: Q 162 - end of helix Processing helix chain 'Q' and resid 183 through 198 removed outlier: 3.522A pdb=" N LYS Q 193 " --> pdb=" O LEU Q 189 " (cutoff:3.500A) Processing helix chain 'Q' and resid 206 through 218 Processing helix chain 'Q' and resid 226 through 246 removed outlier: 4.184A pdb=" N GLN Q 230 " --> pdb=" O SER Q 226 " (cutoff:3.500A) removed outlier: 3.730A pdb=" N LEU Q 231 " --> pdb=" O GLN Q 227 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N THR Q 240 " --> pdb=" O MET Q 236 " (cutoff:3.500A) removed outlier: 4.851A pdb=" N THR Q 242 " --> pdb=" O ALA Q 238 " (cutoff:3.500A) removed outlier: 6.051A pdb=" N LEU Q 243 " --> pdb=" O SER Q 239 " (cutoff:3.500A) Proline residue: Q 246 - end of helix Processing helix chain 'Q' and resid 252 through 262 removed outlier: 3.707A pdb=" N ALA Q 258 " --> pdb=" O ILE Q 254 " (cutoff:3.500A) removed outlier: 4.748A pdb=" N SER Q 259 " --> pdb=" O GLY Q 255 " (cutoff:3.500A) removed outlier: 4.009A pdb=" N LEU Q 260 " --> pdb=" O LEU Q 256 " (cutoff:3.500A) Proline residue: Q 262 - end of helix Processing helix chain 'Q' and resid 289 through 300 removed outlier: 3.553A pdb=" N GLN Q 299 " --> pdb=" O ARG Q 295 " (cutoff:3.500A) Proline residue: Q 300 - end of helix Processing helix chain 'Q' and resid 330 through 344 removed outlier: 5.071A pdb=" N HIS Q 334 " --> pdb=" O PRO Q 330 " (cutoff:3.500A) removed outlier: 4.249A pdb=" N LYS Q 335 " --> pdb=" O THR Q 331 " (cutoff:3.500A) Processing helix chain 'Q' and resid 381 through 402 removed outlier: 4.763A pdb=" N SER Q 385 " --> pdb=" O HIS Q 381 " (cutoff:3.500A) removed outlier: 4.346A pdb=" N SER Q 386 " --> pdb=" O THR Q 382 " (cutoff:3.500A) removed outlier: 3.923A pdb=" N LEU Q 387 " --> pdb=" O SER Q 383 " (cutoff:3.500A) removed outlier: 3.538A pdb=" N THR Q 391 " --> pdb=" O LEU Q 387 " (cutoff:3.500A) Processing helix chain 'Q' and resid 408 through 415 Processing helix chain 'Q' and resid 418 through 441 removed outlier: 4.143A pdb=" N ASP Q 422 " --> pdb=" O PHE Q 418 " (cutoff:3.500A) Proline residue: Q 441 - end of helix Processing helix chain 'Q' and resid 442 through 447 removed outlier: 5.453A pdb=" N TRP Q 446 " --> pdb=" O ASP Q 442 " (cutoff:3.500A) removed outlier: 5.299A pdb=" N GLY Q 447 " --> pdb=" O TYR Q 443 " (cutoff:3.500A) No H-bonds generated for 'chain 'Q' and resid 442 through 447' Processing helix chain 'R' and resid 11 through 29 Processing helix chain 'R' and resid 71 through 80 removed outlier: 5.951A pdb=" N HIS R 75 " --> pdb=" O PRO R 71 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N SER R 76 " --> pdb=" O ARG R 72 " (cutoff:3.500A) removed outlier: 4.145A pdb=" N SER R 80 " --> pdb=" O SER R 76 " (cutoff:3.500A) Processing helix chain 'R' and resid 82 through 87 removed outlier: 4.382A pdb=" N ASN R 87 " --> pdb=" O ALA R 83 " (cutoff:3.500A) Processing helix chain 'R' and resid 103 through 115 removed outlier: 3.711A pdb=" N LYS R 113 " --> pdb=" O SER R 109 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N ILE R 114 " --> pdb=" O GLN R 110 " (cutoff:3.500A) Processing helix chain 'R' and resid 116 through 130 removed outlier: 3.656A pdb=" N GLU R 125 " --> pdb=" O ILE R 121 " (cutoff:3.500A) removed outlier: 5.554A pdb=" N ASP R 130 " --> pdb=" O ALA R 126 " (cutoff:3.500A) Processing helix chain 'R' and resid 144 through 162 removed outlier: 4.938A pdb=" N GLY R 148 " --> pdb=" O GLY R 144 " (cutoff:3.500A) removed outlier: 3.668A pdb=" N LEU R 149 " --> pdb=" O THR R 145 " (cutoff:3.500A) removed outlier: 5.955A pdb=" N SER R 151 " --> pdb=" O SER R 147 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N ASN R 158 " --> pdb=" O LEU R 154 " (cutoff:3.500A) removed outlier: 3.884A pdb=" N ASP R 159 " --> pdb=" O GLU R 155 " (cutoff:3.500A) Proline residue: R 162 - end of helix Processing helix chain 'R' and resid 183 through 198 removed outlier: 3.521A pdb=" N LYS R 193 " --> pdb=" O LEU R 189 " (cutoff:3.500A) Processing helix chain 'R' and resid 206 through 218 Processing helix chain 'R' and resid 226 through 246 removed outlier: 4.184A pdb=" N GLN R 230 " --> pdb=" O SER R 226 " (cutoff:3.500A) removed outlier: 3.729A pdb=" N LEU R 231 " --> pdb=" O GLN R 227 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N THR R 240 " --> pdb=" O MET R 236 " (cutoff:3.500A) removed outlier: 4.900A pdb=" N THR R 242 " --> pdb=" O ALA R 238 " (cutoff:3.500A) removed outlier: 6.042A pdb=" N LEU R 243 " --> pdb=" O SER R 239 " (cutoff:3.500A) Proline residue: R 246 - end of helix Processing helix chain 'R' and resid 252 through 262 removed outlier: 4.732A pdb=" N SER R 259 " --> pdb=" O GLY R 255 " (cutoff:3.500A) removed outlier: 4.004A pdb=" N LEU R 260 " --> pdb=" O LEU R 256 " (cutoff:3.500A) Proline residue: R 262 - end of helix Processing helix chain 'R' and resid 289 through 300 Proline residue: R 300 - end of helix Processing helix chain 'R' and resid 330 through 344 removed outlier: 4.517A pdb=" N HIS R 334 " --> pdb=" O PRO R 330 " (cutoff:3.500A) removed outlier: 4.257A pdb=" N LYS R 335 " --> pdb=" O THR R 331 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N GLN R 338 " --> pdb=" O HIS R 334 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ARG R 339 " --> pdb=" O LYS R 335 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N ILE R 340 " --> pdb=" O SER R 336 " (cutoff:3.500A) Processing helix chain 'R' and resid 381 through 402 removed outlier: 4.763A pdb=" N SER R 385 " --> pdb=" O HIS R 381 " (cutoff:3.500A) removed outlier: 4.345A pdb=" N SER R 386 " --> pdb=" O THR R 382 " (cutoff:3.500A) removed outlier: 3.923A pdb=" N LEU R 387 " --> pdb=" O SER R 383 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N THR R 391 " --> pdb=" O LEU R 387 " (cutoff:3.500A) Processing helix chain 'R' and resid 408 through 415 Processing helix chain 'R' and resid 418 through 441 removed outlier: 3.743A pdb=" N ASP R 422 " --> pdb=" O PHE R 418 " (cutoff:3.500A) Proline residue: R 441 - end of helix Processing helix chain 'R' and resid 442 through 447 removed outlier: 5.482A pdb=" N TRP R 446 " --> pdb=" O ASP R 442 " (cutoff:3.500A) removed outlier: 5.273A pdb=" N GLY R 447 " --> pdb=" O TYR R 443 " (cutoff:3.500A) No H-bonds generated for 'chain 'R' and resid 442 through 447' Processing helix chain 'S' and resid 11 through 29 Processing helix chain 'S' and resid 71 through 80 removed outlier: 5.987A pdb=" N HIS S 75 " --> pdb=" O PRO S 71 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N SER S 76 " --> pdb=" O ARG S 72 " (cutoff:3.500A) removed outlier: 4.144A pdb=" N SER S 80 " --> pdb=" O SER S 76 " (cutoff:3.500A) Processing helix chain 'S' and resid 82 through 87 removed outlier: 4.383A pdb=" N ASN S 87 " --> pdb=" O ALA S 83 " (cutoff:3.500A) Processing helix chain 'S' and resid 103 through 115 removed outlier: 3.710A pdb=" N LYS S 113 " --> pdb=" O SER S 109 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N ILE S 114 " --> pdb=" O GLN S 110 " (cutoff:3.500A) Processing helix chain 'S' and resid 116 through 130 removed outlier: 3.655A pdb=" N GLU S 125 " --> pdb=" O ILE S 121 " (cutoff:3.500A) removed outlier: 5.554A pdb=" N ASP S 130 " --> pdb=" O ALA S 126 " (cutoff:3.500A) Processing helix chain 'S' and resid 144 through 162 removed outlier: 4.936A pdb=" N GLY S 148 " --> pdb=" O GLY S 144 " (cutoff:3.500A) removed outlier: 3.668A pdb=" N LEU S 149 " --> pdb=" O THR S 145 " (cutoff:3.500A) removed outlier: 5.954A pdb=" N SER S 151 " --> pdb=" O SER S 147 " (cutoff:3.500A) removed outlier: 3.806A pdb=" N ASN S 158 " --> pdb=" O LEU S 154 " (cutoff:3.500A) removed outlier: 3.834A pdb=" N ASP S 159 " --> pdb=" O GLU S 155 " (cutoff:3.500A) Proline residue: S 162 - end of helix Processing helix chain 'S' and resid 183 through 198 removed outlier: 3.522A pdb=" N LYS S 193 " --> pdb=" O LEU S 189 " (cutoff:3.500A) Processing helix chain 'S' and resid 206 through 218 Processing helix chain 'S' and resid 226 through 246 removed outlier: 4.184A pdb=" N GLN S 230 " --> pdb=" O SER S 226 " (cutoff:3.500A) removed outlier: 3.729A pdb=" N LEU S 231 " --> pdb=" O GLN S 227 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N THR S 240 " --> pdb=" O MET S 236 " (cutoff:3.500A) removed outlier: 4.860A pdb=" N THR S 242 " --> pdb=" O ALA S 238 " (cutoff:3.500A) removed outlier: 6.013A pdb=" N LEU S 243 " --> pdb=" O SER S 239 " (cutoff:3.500A) Proline residue: S 246 - end of helix Processing helix chain 'S' and resid 252 through 262 removed outlier: 4.161A pdb=" N SER S 259 " --> pdb=" O GLY S 255 " (cutoff:3.500A) removed outlier: 4.526A pdb=" N LEU S 260 " --> pdb=" O LEU S 256 " (cutoff:3.500A) Proline residue: S 262 - end of helix Processing helix chain 'S' and resid 289 through 300 removed outlier: 3.553A pdb=" N GLN S 299 " --> pdb=" O ARG S 295 " (cutoff:3.500A) Proline residue: S 300 - end of helix Processing helix chain 'S' and resid 330 through 344 removed outlier: 4.568A pdb=" N HIS S 334 " --> pdb=" O PRO S 330 " (cutoff:3.500A) removed outlier: 3.914A pdb=" N LYS S 335 " --> pdb=" O THR S 331 " (cutoff:3.500A) Processing helix chain 'S' and resid 381 through 402 removed outlier: 4.799A pdb=" N SER S 385 " --> pdb=" O HIS S 381 " (cutoff:3.500A) removed outlier: 4.346A pdb=" N SER S 386 " --> pdb=" O THR S 382 " (cutoff:3.500A) removed outlier: 3.924A pdb=" N LEU S 387 " --> pdb=" O SER S 383 " (cutoff:3.500A) removed outlier: 3.538A pdb=" N THR S 391 " --> pdb=" O LEU S 387 " (cutoff:3.500A) Processing helix chain 'S' and resid 408 through 415 Processing helix chain 'S' and resid 418 through 441 removed outlier: 4.143A pdb=" N ASP S 422 " --> pdb=" O PHE S 418 " (cutoff:3.500A) Proline residue: S 441 - end of helix Processing helix chain 'S' and resid 442 through 447 removed outlier: 4.985A pdb=" N TRP S 446 " --> pdb=" O ASP S 442 " (cutoff:3.500A) removed outlier: 5.659A pdb=" N GLY S 447 " --> pdb=" O TYR S 443 " (cutoff:3.500A) No H-bonds generated for 'chain 'S' and resid 442 through 447' Processing helix chain 'T' and resid 11 through 29 Processing helix chain 'T' and resid 71 through 80 removed outlier: 5.707A pdb=" N HIS T 75 " --> pdb=" O PRO T 71 " (cutoff:3.500A) removed outlier: 3.682A pdb=" N SER T 76 " --> pdb=" O ARG T 72 " (cutoff:3.500A) removed outlier: 4.143A pdb=" N SER T 80 " --> pdb=" O SER T 76 " (cutoff:3.500A) Processing helix chain 'T' and resid 82 through 87 removed outlier: 4.383A pdb=" N ASN T 87 " --> pdb=" O ALA T 83 " (cutoff:3.500A) Processing helix chain 'T' and resid 103 through 115 removed outlier: 3.711A pdb=" N LYS T 113 " --> pdb=" O SER T 109 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N ILE T 114 " --> pdb=" O GLN T 110 " (cutoff:3.500A) Processing helix chain 'T' and resid 116 through 130 removed outlier: 3.656A pdb=" N GLU T 125 " --> pdb=" O ILE T 121 " (cutoff:3.500A) removed outlier: 5.554A pdb=" N ASP T 130 " --> pdb=" O ALA T 126 " (cutoff:3.500A) Processing helix chain 'T' and resid 144 through 162 removed outlier: 4.937A pdb=" N GLY T 148 " --> pdb=" O GLY T 144 " (cutoff:3.500A) removed outlier: 3.668A pdb=" N LEU T 149 " --> pdb=" O THR T 145 " (cutoff:3.500A) removed outlier: 5.955A pdb=" N SER T 151 " --> pdb=" O SER T 147 " (cutoff:3.500A) removed outlier: 3.806A pdb=" N ASN T 158 " --> pdb=" O LEU T 154 " (cutoff:3.500A) removed outlier: 3.832A pdb=" N ASP T 159 " --> pdb=" O GLU T 155 " (cutoff:3.500A) Proline residue: T 162 - end of helix Processing helix chain 'T' and resid 183 through 198 removed outlier: 3.522A pdb=" N LYS T 193 " --> pdb=" O LEU T 189 " (cutoff:3.500A) Processing helix chain 'T' and resid 206 through 218 Processing helix chain 'T' and resid 226 through 246 removed outlier: 4.184A pdb=" N GLN T 230 " --> pdb=" O SER T 226 " (cutoff:3.500A) removed outlier: 3.729A pdb=" N LEU T 231 " --> pdb=" O GLN T 227 " (cutoff:3.500A) removed outlier: 4.052A pdb=" N THR T 240 " --> pdb=" O MET T 236 " (cutoff:3.500A) removed outlier: 4.864A pdb=" N THR T 242 " --> pdb=" O ALA T 238 " (cutoff:3.500A) removed outlier: 6.039A pdb=" N LEU T 243 " --> pdb=" O SER T 239 " (cutoff:3.500A) Proline residue: T 246 - end of helix Processing helix chain 'T' and resid 252 through 262 removed outlier: 3.710A pdb=" N LEU T 256 " --> pdb=" O ASP T 252 " (cutoff:3.500A) removed outlier: 3.958A pdb=" N SER T 259 " --> pdb=" O GLY T 255 " (cutoff:3.500A) removed outlier: 3.649A pdb=" N LEU T 260 " --> pdb=" O LEU T 256 " (cutoff:3.500A) Proline residue: T 262 - end of helix Processing helix chain 'T' and resid 289 through 300 removed outlier: 3.911A pdb=" N ARG T 295 " --> pdb=" O LEU T 291 " (cutoff:3.500A) Proline residue: T 300 - end of helix Processing helix chain 'T' and resid 330 through 344 removed outlier: 4.409A pdb=" N HIS T 334 " --> pdb=" O PRO T 330 " (cutoff:3.500A) removed outlier: 4.121A pdb=" N LYS T 335 " --> pdb=" O THR T 331 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N LEU T 337 " --> pdb=" O VAL T 333 " (cutoff:3.500A) removed outlier: 5.036A pdb=" N GLN T 338 " --> pdb=" O HIS T 334 " (cutoff:3.500A) Processing helix chain 'T' and resid 381 through 402 removed outlier: 4.762A pdb=" N SER T 385 " --> pdb=" O HIS T 381 " (cutoff:3.500A) removed outlier: 4.346A pdb=" N SER T 386 " --> pdb=" O THR T 382 " (cutoff:3.500A) removed outlier: 3.922A pdb=" N LEU T 387 " --> pdb=" O SER T 383 " (cutoff:3.500A) removed outlier: 3.537A pdb=" N THR T 391 " --> pdb=" O LEU T 387 " (cutoff:3.500A) Processing helix chain 'T' and resid 408 through 415 Processing helix chain 'T' and resid 418 through 441 removed outlier: 4.143A pdb=" N ASP T 422 " --> pdb=" O PHE T 418 " (cutoff:3.500A) Proline residue: T 441 - end of helix Processing helix chain 'T' and resid 442 through 447 removed outlier: 5.327A pdb=" N TRP T 446 " --> pdb=" O ASP T 442 " (cutoff:3.500A) removed outlier: 5.011A pdb=" N GLY T 447 " --> pdb=" O TYR T 443 " (cutoff:3.500A) No H-bonds generated for 'chain 'T' and resid 442 through 447' Processing helix chain 'U' and resid 11 through 29 Processing helix chain 'U' and resid 71 through 80 removed outlier: 5.685A pdb=" N HIS U 75 " --> pdb=" O PRO U 71 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N SER U 76 " --> pdb=" O ARG U 72 " (cutoff:3.500A) removed outlier: 4.026A pdb=" N SER U 80 " --> pdb=" O SER U 76 " (cutoff:3.500A) Processing helix chain 'U' and resid 82 through 87 removed outlier: 4.384A pdb=" N ASN U 87 " --> pdb=" O ALA U 83 " (cutoff:3.500A) Processing helix chain 'U' and resid 103 through 115 removed outlier: 3.711A pdb=" N LYS U 113 " --> pdb=" O SER U 109 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N ILE U 114 " --> pdb=" O GLN U 110 " (cutoff:3.500A) Processing helix chain 'U' and resid 116 through 130 removed outlier: 3.655A pdb=" N GLU U 125 " --> pdb=" O ILE U 121 " (cutoff:3.500A) removed outlier: 5.554A pdb=" N ASP U 130 " --> pdb=" O ALA U 126 " (cutoff:3.500A) Processing helix chain 'U' and resid 144 through 162 removed outlier: 4.937A pdb=" N GLY U 148 " --> pdb=" O GLY U 144 " (cutoff:3.500A) removed outlier: 3.668A pdb=" N LEU U 149 " --> pdb=" O THR U 145 " (cutoff:3.500A) removed outlier: 5.955A pdb=" N SER U 151 " --> pdb=" O SER U 147 " (cutoff:3.500A) removed outlier: 3.806A pdb=" N ASN U 158 " --> pdb=" O LEU U 154 " (cutoff:3.500A) removed outlier: 3.834A pdb=" N ASP U 159 " --> pdb=" O GLU U 155 " (cutoff:3.500A) Proline residue: U 162 - end of helix Processing helix chain 'U' and resid 183 through 198 removed outlier: 3.523A pdb=" N LYS U 193 " --> pdb=" O LEU U 189 " (cutoff:3.500A) Processing helix chain 'U' and resid 206 through 218 Processing helix chain 'U' and resid 226 through 246 removed outlier: 4.184A pdb=" N GLN U 230 " --> pdb=" O SER U 226 " (cutoff:3.500A) removed outlier: 3.740A pdb=" N LEU U 231 " --> pdb=" O GLN U 227 " (cutoff:3.500A) removed outlier: 3.514A pdb=" N ILE U 235 " --> pdb=" O LEU U 231 " (cutoff:3.500A) removed outlier: 3.732A pdb=" N THR U 240 " --> pdb=" O MET U 236 " (cutoff:3.500A) removed outlier: 4.864A pdb=" N THR U 242 " --> pdb=" O ALA U 238 " (cutoff:3.500A) removed outlier: 6.039A pdb=" N LEU U 243 " --> pdb=" O SER U 239 " (cutoff:3.500A) Proline residue: U 246 - end of helix Processing helix chain 'U' and resid 252 through 262 removed outlier: 4.733A pdb=" N SER U 259 " --> pdb=" O GLY U 255 " (cutoff:3.500A) removed outlier: 4.004A pdb=" N LEU U 260 " --> pdb=" O LEU U 256 " (cutoff:3.500A) Proline residue: U 262 - end of helix Processing helix chain 'U' and resid 289 through 300 removed outlier: 3.553A pdb=" N GLN U 299 " --> pdb=" O ARG U 295 " (cutoff:3.500A) Proline residue: U 300 - end of helix Processing helix chain 'U' and resid 330 through 344 removed outlier: 4.251A pdb=" N HIS U 334 " --> pdb=" O PRO U 330 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N LYS U 335 " --> pdb=" O THR U 331 " (cutoff:3.500A) Processing helix chain 'U' and resid 381 through 402 removed outlier: 4.763A pdb=" N SER U 385 " --> pdb=" O HIS U 381 " (cutoff:3.500A) removed outlier: 4.345A pdb=" N SER U 386 " --> pdb=" O THR U 382 " (cutoff:3.500A) removed outlier: 3.922A pdb=" N LEU U 387 " --> pdb=" O SER U 383 " (cutoff:3.500A) removed outlier: 3.537A pdb=" N THR U 391 " --> pdb=" O LEU U 387 " (cutoff:3.500A) Processing helix chain 'U' and resid 408 through 415 Processing helix chain 'U' and resid 418 through 441 removed outlier: 4.142A pdb=" N ASP U 422 " --> pdb=" O PHE U 418 " (cutoff:3.500A) Proline residue: U 441 - end of helix Processing helix chain 'U' and resid 442 through 447 removed outlier: 5.494A pdb=" N TRP U 446 " --> pdb=" O ASP U 442 " (cutoff:3.500A) removed outlier: 5.273A pdb=" N GLY U 447 " --> pdb=" O TYR U 443 " (cutoff:3.500A) No H-bonds generated for 'chain 'U' and resid 442 through 447' Processing helix chain 'V' and resid 11 through 29 Processing helix chain 'V' and resid 71 through 80 removed outlier: 5.868A pdb=" N HIS V 75 " --> pdb=" O PRO V 71 " (cutoff:3.500A) removed outlier: 3.733A pdb=" N SER V 76 " --> pdb=" O ARG V 72 " (cutoff:3.500A) removed outlier: 4.144A pdb=" N SER V 80 " --> pdb=" O SER V 76 " (cutoff:3.500A) Processing helix chain 'V' and resid 82 through 87 removed outlier: 4.383A pdb=" N ASN V 87 " --> pdb=" O ALA V 83 " (cutoff:3.500A) Processing helix chain 'V' and resid 103 through 115 removed outlier: 3.710A pdb=" N LYS V 113 " --> pdb=" O SER V 109 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N ILE V 114 " --> pdb=" O GLN V 110 " (cutoff:3.500A) Processing helix chain 'V' and resid 116 through 130 removed outlier: 3.657A pdb=" N GLU V 125 " --> pdb=" O ILE V 121 " (cutoff:3.500A) removed outlier: 5.555A pdb=" N ASP V 130 " --> pdb=" O ALA V 126 " (cutoff:3.500A) Processing helix chain 'V' and resid 144 through 162 removed outlier: 4.937A pdb=" N GLY V 148 " --> pdb=" O GLY V 144 " (cutoff:3.500A) removed outlier: 3.668A pdb=" N LEU V 149 " --> pdb=" O THR V 145 " (cutoff:3.500A) removed outlier: 5.955A pdb=" N SER V 151 " --> pdb=" O SER V 147 " (cutoff:3.500A) removed outlier: 3.807A pdb=" N ASN V 158 " --> pdb=" O LEU V 154 " (cutoff:3.500A) removed outlier: 3.834A pdb=" N ASP V 159 " --> pdb=" O GLU V 155 " (cutoff:3.500A) Proline residue: V 162 - end of helix Processing helix chain 'V' and resid 183 through 198 removed outlier: 3.521A pdb=" N LYS V 193 " --> pdb=" O LEU V 189 " (cutoff:3.500A) removed outlier: 3.604A pdb=" N GLN V 197 " --> pdb=" O LYS V 193 " (cutoff:3.500A) Processing helix chain 'V' and resid 206 through 218 Processing helix chain 'V' and resid 226 through 246 removed outlier: 4.183A pdb=" N GLN V 230 " --> pdb=" O SER V 226 " (cutoff:3.500A) removed outlier: 3.730A pdb=" N LEU V 231 " --> pdb=" O GLN V 227 " (cutoff:3.500A) removed outlier: 3.730A pdb=" N THR V 240 " --> pdb=" O MET V 236 " (cutoff:3.500A) removed outlier: 4.887A pdb=" N THR V 242 " --> pdb=" O ALA V 238 " (cutoff:3.500A) removed outlier: 6.039A pdb=" N LEU V 243 " --> pdb=" O SER V 239 " (cutoff:3.500A) Proline residue: V 246 - end of helix Processing helix chain 'V' and resid 252 through 262 removed outlier: 3.546A pdb=" N LEU V 256 " --> pdb=" O ASP V 252 " (cutoff:3.500A) removed outlier: 4.734A pdb=" N SER V 259 " --> pdb=" O GLY V 255 " (cutoff:3.500A) removed outlier: 4.004A pdb=" N LEU V 260 " --> pdb=" O LEU V 256 " (cutoff:3.500A) Proline residue: V 262 - end of helix Processing helix chain 'V' and resid 289 through 300 removed outlier: 3.554A pdb=" N GLN V 299 " --> pdb=" O ARG V 295 " (cutoff:3.500A) Proline residue: V 300 - end of helix Processing helix chain 'V' and resid 330 through 344 removed outlier: 5.193A pdb=" N HIS V 334 " --> pdb=" O PRO V 330 " (cutoff:3.500A) removed outlier: 5.278A pdb=" N LYS V 335 " --> pdb=" O THR V 331 " (cutoff:3.500A) removed outlier: 4.012A pdb=" N LEU V 337 " --> pdb=" O VAL V 333 " (cutoff:3.500A) removed outlier: 3.625A pdb=" N LYS V 344 " --> pdb=" O ILE V 340 " (cutoff:3.500A) Processing helix chain 'V' and resid 381 through 402 removed outlier: 4.763A pdb=" N SER V 385 " --> pdb=" O HIS V 381 " (cutoff:3.500A) removed outlier: 4.345A pdb=" N SER V 386 " --> pdb=" O THR V 382 " (cutoff:3.500A) removed outlier: 3.923A pdb=" N LEU V 387 " --> pdb=" O SER V 383 " (cutoff:3.500A) removed outlier: 3.538A pdb=" N THR V 391 " --> pdb=" O LEU V 387 " (cutoff:3.500A) Processing helix chain 'V' and resid 408 through 415 Processing helix chain 'V' and resid 418 through 441 removed outlier: 4.143A pdb=" N ASP V 422 " --> pdb=" O PHE V 418 " (cutoff:3.500A) Proline residue: V 441 - end of helix Processing helix chain 'V' and resid 442 through 447 removed outlier: 5.145A pdb=" N TRP V 446 " --> pdb=" O ASP V 442 " (cutoff:3.500A) removed outlier: 5.100A pdb=" N GLY V 447 " --> pdb=" O TYR V 443 " (cutoff:3.500A) No H-bonds generated for 'chain 'V' and resid 442 through 447' Processing helix chain 'W' and resid 11 through 29 Processing helix chain 'W' and resid 71 through 80 removed outlier: 5.802A pdb=" N HIS W 75 " --> pdb=" O PRO W 71 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N SER W 76 " --> pdb=" O ARG W 72 " (cutoff:3.500A) removed outlier: 4.144A pdb=" N SER W 80 " --> pdb=" O SER W 76 " (cutoff:3.500A) Processing helix chain 'W' and resid 82 through 87 removed outlier: 4.382A pdb=" N ASN W 87 " --> pdb=" O ALA W 83 " (cutoff:3.500A) Processing helix chain 'W' and resid 103 through 115 removed outlier: 3.711A pdb=" N LYS W 113 " --> pdb=" O SER W 109 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N ILE W 114 " --> pdb=" O GLN W 110 " (cutoff:3.500A) Processing helix chain 'W' and resid 116 through 130 removed outlier: 3.655A pdb=" N GLU W 125 " --> pdb=" O ILE W 121 " (cutoff:3.500A) removed outlier: 5.468A pdb=" N ASP W 130 " --> pdb=" O ALA W 126 " (cutoff:3.500A) Processing helix chain 'W' and resid 144 through 162 removed outlier: 4.938A pdb=" N GLY W 148 " --> pdb=" O GLY W 144 " (cutoff:3.500A) removed outlier: 3.669A pdb=" N LEU W 149 " --> pdb=" O THR W 145 " (cutoff:3.500A) removed outlier: 5.954A pdb=" N SER W 151 " --> pdb=" O SER W 147 " (cutoff:3.500A) removed outlier: 3.806A pdb=" N ASN W 158 " --> pdb=" O LEU W 154 " (cutoff:3.500A) removed outlier: 3.835A pdb=" N ASP W 159 " --> pdb=" O GLU W 155 " (cutoff:3.500A) Proline residue: W 162 - end of helix Processing helix chain 'W' and resid 183 through 198 removed outlier: 3.520A pdb=" N LYS W 193 " --> pdb=" O LEU W 189 " (cutoff:3.500A) Processing helix chain 'W' and resid 206 through 218 Processing helix chain 'W' and resid 226 through 246 removed outlier: 4.184A pdb=" N GLN W 230 " --> pdb=" O SER W 226 " (cutoff:3.500A) removed outlier: 3.729A pdb=" N LEU W 231 " --> pdb=" O GLN W 227 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N THR W 240 " --> pdb=" O MET W 236 " (cutoff:3.500A) removed outlier: 4.864A pdb=" N THR W 242 " --> pdb=" O ALA W 238 " (cutoff:3.500A) removed outlier: 6.051A pdb=" N LEU W 243 " --> pdb=" O SER W 239 " (cutoff:3.500A) Proline residue: W 246 - end of helix Processing helix chain 'W' and resid 252 through 262 removed outlier: 3.636A pdb=" N LEU W 256 " --> pdb=" O ASP W 252 " (cutoff:3.500A) removed outlier: 4.733A pdb=" N SER W 259 " --> pdb=" O GLY W 255 " (cutoff:3.500A) removed outlier: 4.005A pdb=" N LEU W 260 " --> pdb=" O LEU W 256 " (cutoff:3.500A) Proline residue: W 262 - end of helix Processing helix chain 'W' and resid 289 through 300 removed outlier: 3.554A pdb=" N GLN W 299 " --> pdb=" O ARG W 295 " (cutoff:3.500A) Proline residue: W 300 - end of helix Processing helix chain 'W' and resid 330 through 344 removed outlier: 4.676A pdb=" N HIS W 334 " --> pdb=" O PRO W 330 " (cutoff:3.500A) removed outlier: 4.237A pdb=" N LYS W 335 " --> pdb=" O THR W 331 " (cutoff:3.500A) removed outlier: 3.506A pdb=" N ARG W 341 " --> pdb=" O LEU W 337 " (cutoff:3.500A) Processing helix chain 'W' and resid 381 through 402 removed outlier: 4.763A pdb=" N SER W 385 " --> pdb=" O HIS W 381 " (cutoff:3.500A) removed outlier: 4.346A pdb=" N SER W 386 " --> pdb=" O THR W 382 " (cutoff:3.500A) removed outlier: 3.923A pdb=" N LEU W 387 " --> pdb=" O SER W 383 " (cutoff:3.500A) removed outlier: 3.537A pdb=" N THR W 391 " --> pdb=" O LEU W 387 " (cutoff:3.500A) Processing helix chain 'W' and resid 408 through 415 Processing helix chain 'W' and resid 418 through 441 removed outlier: 4.143A pdb=" N ASP W 422 " --> pdb=" O PHE W 418 " (cutoff:3.500A) Proline residue: W 441 - end of helix Processing helix chain 'W' and resid 442 through 447 removed outlier: 5.153A pdb=" N TRP W 446 " --> pdb=" O ASP W 442 " (cutoff:3.500A) removed outlier: 5.269A pdb=" N GLY W 447 " --> pdb=" O TYR W 443 " (cutoff:3.500A) No H-bonds generated for 'chain 'W' and resid 442 through 447' Processing helix chain 'X' and resid 11 through 29 Processing helix chain 'X' and resid 71 through 80 removed outlier: 5.987A pdb=" N HIS X 75 " --> pdb=" O PRO X 71 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N SER X 76 " --> pdb=" O ARG X 72 " (cutoff:3.500A) removed outlier: 4.144A pdb=" N SER X 80 " --> pdb=" O SER X 76 " (cutoff:3.500A) Processing helix chain 'X' and resid 82 through 87 removed outlier: 4.383A pdb=" N ASN X 87 " --> pdb=" O ALA X 83 " (cutoff:3.500A) Processing helix chain 'X' and resid 103 through 115 removed outlier: 3.712A pdb=" N LYS X 113 " --> pdb=" O SER X 109 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N ILE X 114 " --> pdb=" O GLN X 110 " (cutoff:3.500A) Processing helix chain 'X' and resid 116 through 130 removed outlier: 3.655A pdb=" N GLU X 125 " --> pdb=" O ILE X 121 " (cutoff:3.500A) removed outlier: 5.610A pdb=" N ASP X 130 " --> pdb=" O ALA X 126 " (cutoff:3.500A) Processing helix chain 'X' and resid 144 through 162 removed outlier: 4.937A pdb=" N GLY X 148 " --> pdb=" O GLY X 144 " (cutoff:3.500A) removed outlier: 3.667A pdb=" N LEU X 149 " --> pdb=" O THR X 145 " (cutoff:3.500A) removed outlier: 5.953A pdb=" N SER X 151 " --> pdb=" O SER X 147 " (cutoff:3.500A) removed outlier: 3.807A pdb=" N ASN X 158 " --> pdb=" O LEU X 154 " (cutoff:3.500A) removed outlier: 3.832A pdb=" N ASP X 159 " --> pdb=" O GLU X 155 " (cutoff:3.500A) Proline residue: X 162 - end of helix Processing helix chain 'X' and resid 183 through 198 removed outlier: 3.521A pdb=" N LYS X 193 " --> pdb=" O LEU X 189 " (cutoff:3.500A) Processing helix chain 'X' and resid 206 through 218 Processing helix chain 'X' and resid 226 through 246 removed outlier: 4.184A pdb=" N GLN X 230 " --> pdb=" O SER X 226 " (cutoff:3.500A) removed outlier: 3.730A pdb=" N LEU X 231 " --> pdb=" O GLN X 227 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N THR X 240 " --> pdb=" O MET X 236 " (cutoff:3.500A) removed outlier: 4.863A pdb=" N THR X 242 " --> pdb=" O ALA X 238 " (cutoff:3.500A) removed outlier: 6.041A pdb=" N LEU X 243 " --> pdb=" O SER X 239 " (cutoff:3.500A) Proline residue: X 246 - end of helix Processing helix chain 'X' and resid 252 through 262 removed outlier: 3.600A pdb=" N ALA X 258 " --> pdb=" O ILE X 254 " (cutoff:3.500A) removed outlier: 4.848A pdb=" N SER X 259 " --> pdb=" O GLY X 255 " (cutoff:3.500A) removed outlier: 5.047A pdb=" N LEU X 260 " --> pdb=" O LEU X 256 " (cutoff:3.500A) Proline residue: X 262 - end of helix Processing helix chain 'X' and resid 289 through 300 removed outlier: 3.600A pdb=" N LEU X 298 " --> pdb=" O MET X 294 " (cutoff:3.500A) removed outlier: 3.852A pdb=" N GLN X 299 " --> pdb=" O ARG X 295 " (cutoff:3.500A) Proline residue: X 300 - end of helix Processing helix chain 'X' and resid 330 through 344 removed outlier: 4.819A pdb=" N HIS X 334 " --> pdb=" O PRO X 330 " (cutoff:3.500A) removed outlier: 4.388A pdb=" N LYS X 335 " --> pdb=" O THR X 331 " (cutoff:3.500A) Processing helix chain 'X' and resid 381 through 402 removed outlier: 4.763A pdb=" N SER X 385 " --> pdb=" O HIS X 381 " (cutoff:3.500A) removed outlier: 4.345A pdb=" N SER X 386 " --> pdb=" O THR X 382 " (cutoff:3.500A) removed outlier: 3.923A pdb=" N LEU X 387 " --> pdb=" O SER X 383 " (cutoff:3.500A) removed outlier: 3.538A pdb=" N THR X 391 " --> pdb=" O LEU X 387 " (cutoff:3.500A) Processing helix chain 'X' and resid 408 through 415 Processing helix chain 'X' and resid 418 through 441 removed outlier: 4.143A pdb=" N ASP X 422 " --> pdb=" O PHE X 418 " (cutoff:3.500A) Proline residue: X 441 - end of helix Processing helix chain 'X' and resid 442 through 447 removed outlier: 5.241A pdb=" N TRP X 446 " --> pdb=" O ASP X 442 " (cutoff:3.500A) removed outlier: 5.214A pdb=" N GLY X 447 " --> pdb=" O TYR X 443 " (cutoff:3.500A) No H-bonds generated for 'chain 'X' and resid 442 through 447' Processing helix chain 'Y' and resid 11 through 29 Processing helix chain 'Y' and resid 71 through 80 removed outlier: 6.016A pdb=" N HIS Y 75 " --> pdb=" O PRO Y 71 " (cutoff:3.500A) removed outlier: 3.785A pdb=" N SER Y 76 " --> pdb=" O ARG Y 72 " (cutoff:3.500A) removed outlier: 4.145A pdb=" N SER Y 80 " --> pdb=" O SER Y 76 " (cutoff:3.500A) Processing helix chain 'Y' and resid 82 through 87 removed outlier: 4.382A pdb=" N ASN Y 87 " --> pdb=" O ALA Y 83 " (cutoff:3.500A) Processing helix chain 'Y' and resid 103 through 115 removed outlier: 3.711A pdb=" N LYS Y 113 " --> pdb=" O SER Y 109 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N ILE Y 114 " --> pdb=" O GLN Y 110 " (cutoff:3.500A) Processing helix chain 'Y' and resid 116 through 130 removed outlier: 3.656A pdb=" N GLU Y 125 " --> pdb=" O ILE Y 121 " (cutoff:3.500A) removed outlier: 5.555A pdb=" N ASP Y 130 " --> pdb=" O ALA Y 126 " (cutoff:3.500A) Processing helix chain 'Y' and resid 144 through 162 removed outlier: 4.937A pdb=" N GLY Y 148 " --> pdb=" O GLY Y 144 " (cutoff:3.500A) removed outlier: 3.668A pdb=" N LEU Y 149 " --> pdb=" O THR Y 145 " (cutoff:3.500A) removed outlier: 5.955A pdb=" N SER Y 151 " --> pdb=" O SER Y 147 " (cutoff:3.500A) removed outlier: 3.807A pdb=" N ASN Y 158 " --> pdb=" O LEU Y 154 " (cutoff:3.500A) removed outlier: 3.833A pdb=" N ASP Y 159 " --> pdb=" O GLU Y 155 " (cutoff:3.500A) Proline residue: Y 162 - end of helix Processing helix chain 'Y' and resid 183 through 198 removed outlier: 3.523A pdb=" N LYS Y 193 " --> pdb=" O LEU Y 189 " (cutoff:3.500A) Processing helix chain 'Y' and resid 206 through 218 Processing helix chain 'Y' and resid 226 through 246 removed outlier: 4.184A pdb=" N GLN Y 230 " --> pdb=" O SER Y 226 " (cutoff:3.500A) removed outlier: 3.730A pdb=" N LEU Y 231 " --> pdb=" O GLN Y 227 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N THR Y 240 " --> pdb=" O MET Y 236 " (cutoff:3.500A) removed outlier: 4.863A pdb=" N THR Y 242 " --> pdb=" O ALA Y 238 " (cutoff:3.500A) removed outlier: 6.039A pdb=" N LEU Y 243 " --> pdb=" O SER Y 239 " (cutoff:3.500A) Proline residue: Y 246 - end of helix Processing helix chain 'Y' and resid 252 through 262 removed outlier: 4.732A pdb=" N SER Y 259 " --> pdb=" O GLY Y 255 " (cutoff:3.500A) removed outlier: 4.004A pdb=" N LEU Y 260 " --> pdb=" O LEU Y 256 " (cutoff:3.500A) Proline residue: Y 262 - end of helix Processing helix chain 'Y' and resid 289 through 300 removed outlier: 3.553A pdb=" N GLN Y 299 " --> pdb=" O ARG Y 295 " (cutoff:3.500A) Proline residue: Y 300 - end of helix Processing helix chain 'Y' and resid 330 through 344 removed outlier: 4.378A pdb=" N HIS Y 334 " --> pdb=" O PRO Y 330 " (cutoff:3.500A) removed outlier: 4.227A pdb=" N LYS Y 335 " --> pdb=" O THR Y 331 " (cutoff:3.500A) Processing helix chain 'Y' and resid 381 through 402 removed outlier: 4.763A pdb=" N SER Y 385 " --> pdb=" O HIS Y 381 " (cutoff:3.500A) removed outlier: 4.345A pdb=" N SER Y 386 " --> pdb=" O THR Y 382 " (cutoff:3.500A) removed outlier: 3.923A pdb=" N LEU Y 387 " --> pdb=" O SER Y 383 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N THR Y 391 " --> pdb=" O LEU Y 387 " (cutoff:3.500A) Processing helix chain 'Y' and resid 408 through 415 Processing helix chain 'Y' and resid 418 through 441 removed outlier: 4.143A pdb=" N ASP Y 422 " --> pdb=" O PHE Y 418 " (cutoff:3.500A) Proline residue: Y 441 - end of helix Processing helix chain 'Y' and resid 442 through 447 removed outlier: 5.494A pdb=" N TRP Y 446 " --> pdb=" O ASP Y 442 " (cutoff:3.500A) removed outlier: 5.274A pdb=" N GLY Y 447 " --> pdb=" O TYR Y 443 " (cutoff:3.500A) No H-bonds generated for 'chain 'Y' and resid 442 through 447' Processing helix chain 'Z' and resid 11 through 29 Processing helix chain 'Z' and resid 71 through 80 removed outlier: 5.673A pdb=" N HIS Z 75 " --> pdb=" O PRO Z 71 " (cutoff:3.500A) removed outlier: 4.931A pdb=" N SER Z 76 " --> pdb=" O ARG Z 72 " (cutoff:3.500A) removed outlier: 4.557A pdb=" N ILE Z 77 " --> pdb=" O VAL Z 73 " (cutoff:3.500A) removed outlier: 4.040A pdb=" N LEU Z 78 " --> pdb=" O ILE Z 74 " (cutoff:3.500A) removed outlier: 4.144A pdb=" N SER Z 80 " --> pdb=" O SER Z 76 " (cutoff:3.500A) Processing helix chain 'Z' and resid 82 through 87 removed outlier: 4.383A pdb=" N ASN Z 87 " --> pdb=" O ALA Z 83 " (cutoff:3.500A) Processing helix chain 'Z' and resid 103 through 115 removed outlier: 3.711A pdb=" N LYS Z 113 " --> pdb=" O SER Z 109 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N ILE Z 114 " --> pdb=" O GLN Z 110 " (cutoff:3.500A) Processing helix chain 'Z' and resid 116 through 130 removed outlier: 3.655A pdb=" N GLU Z 125 " --> pdb=" O ILE Z 121 " (cutoff:3.500A) removed outlier: 5.554A pdb=" N ASP Z 130 " --> pdb=" O ALA Z 126 " (cutoff:3.500A) Processing helix chain 'Z' and resid 144 through 162 removed outlier: 4.938A pdb=" N GLY Z 148 " --> pdb=" O GLY Z 144 " (cutoff:3.500A) removed outlier: 3.669A pdb=" N LEU Z 149 " --> pdb=" O THR Z 145 " (cutoff:3.500A) removed outlier: 5.955A pdb=" N SER Z 151 " --> pdb=" O SER Z 147 " (cutoff:3.500A) removed outlier: 3.806A pdb=" N ASN Z 158 " --> pdb=" O LEU Z 154 " (cutoff:3.500A) removed outlier: 3.834A pdb=" N ASP Z 159 " --> pdb=" O GLU Z 155 " (cutoff:3.500A) Proline residue: Z 162 - end of helix Processing helix chain 'Z' and resid 183 through 198 removed outlier: 3.522A pdb=" N LYS Z 193 " --> pdb=" O LEU Z 189 " (cutoff:3.500A) Processing helix chain 'Z' and resid 206 through 218 Processing helix chain 'Z' and resid 226 through 246 removed outlier: 4.185A pdb=" N GLN Z 230 " --> pdb=" O SER Z 226 " (cutoff:3.500A) removed outlier: 3.729A pdb=" N LEU Z 231 " --> pdb=" O GLN Z 227 " (cutoff:3.500A) removed outlier: 3.726A pdb=" N THR Z 240 " --> pdb=" O MET Z 236 " (cutoff:3.500A) removed outlier: 4.831A pdb=" N THR Z 242 " --> pdb=" O ALA Z 238 " (cutoff:3.500A) removed outlier: 5.896A pdb=" N LEU Z 243 " --> pdb=" O SER Z 239 " (cutoff:3.500A) Proline residue: Z 246 - end of helix Processing helix chain 'Z' and resid 252 through 262 removed outlier: 3.809A pdb=" N LEU Z 256 " --> pdb=" O ASP Z 252 " (cutoff:3.500A) removed outlier: 3.949A pdb=" N SER Z 259 " --> pdb=" O GLY Z 255 " (cutoff:3.500A) removed outlier: 3.958A pdb=" N LEU Z 260 " --> pdb=" O LEU Z 256 " (cutoff:3.500A) Proline residue: Z 262 - end of helix Processing helix chain 'Z' and resid 289 through 300 removed outlier: 3.773A pdb=" N LEU Z 297 " --> pdb=" O VAL Z 293 " (cutoff:3.500A) removed outlier: 3.859A pdb=" N LEU Z 298 " --> pdb=" O MET Z 294 " (cutoff:3.500A) removed outlier: 3.540A pdb=" N GLN Z 299 " --> pdb=" O ARG Z 295 " (cutoff:3.500A) Proline residue: Z 300 - end of helix Processing helix chain 'Z' and resid 330 through 344 removed outlier: 3.730A pdb=" N HIS Z 334 " --> pdb=" O PRO Z 330 " (cutoff:3.500A) Processing helix chain 'Z' and resid 381 through 402 removed outlier: 4.763A pdb=" N SER Z 385 " --> pdb=" O HIS Z 381 " (cutoff:3.500A) removed outlier: 4.345A pdb=" N SER Z 386 " --> pdb=" O THR Z 382 " (cutoff:3.500A) removed outlier: 3.924A pdb=" N LEU Z 387 " --> pdb=" O SER Z 383 " (cutoff:3.500A) removed outlier: 3.537A pdb=" N THR Z 391 " --> pdb=" O LEU Z 387 " (cutoff:3.500A) Processing helix chain 'Z' and resid 408 through 415 Processing helix chain 'Z' and resid 418 through 441 removed outlier: 4.143A pdb=" N ASP Z 422 " --> pdb=" O PHE Z 418 " (cutoff:3.500A) Proline residue: Z 441 - end of helix Processing helix chain 'Z' and resid 442 through 447 removed outlier: 5.495A pdb=" N TRP Z 446 " --> pdb=" O ASP Z 442 " (cutoff:3.500A) removed outlier: 5.274A pdb=" N GLY Z 447 " --> pdb=" O TYR Z 443 " (cutoff:3.500A) No H-bonds generated for 'chain 'Z' and resid 442 through 447' Processing helix chain '3' and resid 8 through 22 removed outlier: 3.802A pdb=" N LEU 3 12 " --> pdb=" O SER 3 8 " (cutoff:3.500A) removed outlier: 3.846A pdb=" N LEU 3 13 " --> pdb=" O PRO 3 9 " (cutoff:3.500A) removed outlier: 3.774A pdb=" N GLN 3 14 " --> pdb=" O ASN 3 10 " (cutoff:3.500A) removed outlier: 3.716A pdb=" N ASN 3 15 " --> pdb=" O VAL 3 11 " (cutoff:3.500A) removed outlier: 4.180A pdb=" N GLY 3 22 " --> pdb=" O CYS 3 18 " (cutoff:3.500A) Processing helix chain '3' and resid 30 through 43 removed outlier: 4.057A pdb=" N TYR 3 34 " --> pdb=" O GLN 3 30 " (cutoff:3.500A) removed outlier: 4.110A pdb=" N ALA 3 35 " --> pdb=" O GLN 3 31 " (cutoff:3.500A) removed outlier: 3.655A pdb=" N VAL 3 36 " --> pdb=" O PHE 3 32 " (cutoff:3.500A) removed outlier: 3.690A pdb=" N ARG 3 37 " --> pdb=" O GLN 3 33 " (cutoff:3.500A) removed outlier: 3.715A pdb=" N VAL 3 38 " --> pdb=" O TYR 3 34 " (cutoff:3.500A) removed outlier: 3.576A pdb=" N ASN 3 42 " --> pdb=" O VAL 3 38 " (cutoff:3.500A) removed outlier: 4.422A pdb=" N PHE 3 43 " --> pdb=" O ILE 3 39 " (cutoff:3.500A) Processing helix chain '3' and resid 50 through 66 removed outlier: 4.118A pdb=" N VAL 3 54 " --> pdb=" O ASP 3 50 " (cutoff:3.500A) removed outlier: 4.116A pdb=" N GLN 3 65 " --> pdb=" O GLU 3 61 " (cutoff:3.500A) removed outlier: 4.599A pdb=" N ARG 3 66 " --> pdb=" O LEU 3 62 " (cutoff:3.500A) Processing helix chain '3' and resid 68 through 85 removed outlier: 4.480A pdb=" N ALA 3 72 " --> pdb=" O GLU 3 68 " (cutoff:3.500A) removed outlier: 4.032A pdb=" N SER 3 75 " --> pdb=" O ALA 3 71 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N HIS 3 82 " --> pdb=" O HIS 3 78 " (cutoff:3.500A) removed outlier: 3.581A pdb=" N GLN 3 84 " --> pdb=" O LYS 3 80 " (cutoff:3.500A) removed outlier: 4.458A pdb=" N GLY 3 85 " --> pdb=" O LEU 3 81 " (cutoff:3.500A) Processing helix chain '3' and resid 89 through 101 removed outlier: 4.347A pdb=" N LEU 3 94 " --> pdb=" O LYS 3 90 " (cutoff:3.500A) removed outlier: 5.925A pdb=" N LEU 3 97 " --> pdb=" O ILE 3 93 " (cutoff:3.500A) removed outlier: 4.387A pdb=" N SER 3 101 " --> pdb=" O LEU 3 97 " (cutoff:3.500A) Processing helix chain '4' and resid 65 through 81 removed outlier: 3.645A pdb=" N LYS 4 69 " --> pdb=" O PRO 4 65 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N ILE 4 70 " --> pdb=" O ALA 4 66 " (cutoff:3.500A) removed outlier: 3.649A pdb=" N LEU 4 71 " --> pdb=" O ARG 4 67 " (cutoff:3.500A) removed outlier: 4.046A pdb=" N LEU 4 73 " --> pdb=" O LYS 4 69 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N ASP 4 76 " --> pdb=" O MET 4 72 " (cutoff:3.500A) removed outlier: 3.743A pdb=" N LEU 4 77 " --> pdb=" O LEU 4 73 " (cutoff:3.500A) removed outlier: 3.530A pdb=" N ARG 4 78 " --> pdb=" O SER 4 74 " (cutoff:3.500A) Processing helix chain '4' and resid 82 through 97 removed outlier: 4.396A pdb=" N ALA 4 86 " --> pdb=" O LEU 4 82 " (cutoff:3.500A) removed outlier: 3.852A pdb=" N LEU 4 89 " --> pdb=" O LYS 4 85 " (cutoff:3.500A) Processing helix chain '4' and resid 104 through 114 removed outlier: 4.920A pdb=" N GLY 4 108 " --> pdb=" O LEU 4 104 " (cutoff:3.500A) removed outlier: 3.994A pdb=" N LEU 4 114 " --> pdb=" O VAL 4 110 " (cutoff:3.500A) Processing helix chain '5' and resid 14 through 36 Processing helix chain '5' and resid 40 through 54 removed outlier: 4.364A pdb=" N GLN 5 53 " --> pdb=" O ARG 5 49 " (cutoff:3.500A) removed outlier: 4.765A pdb=" N GLY 5 54 " --> pdb=" O LEU 5 50 " (cutoff:3.500A) Processing helix chain '5' and resid 56 through 73 removed outlier: 3.916A pdb=" N GLU 5 72 " --> pdb=" O ARG 5 68 " (cutoff:3.500A) removed outlier: 5.138A pdb=" N ALA 5 73 " --> pdb=" O LYS 5 69 " (cutoff:3.500A) Processing helix chain '6' and resid 13 through 36 Processing helix chain '6' and resid 40 through 54 removed outlier: 5.283A pdb=" N GLN 6 53 " --> pdb=" O ARG 6 49 " (cutoff:3.500A) Processing helix chain '6' and resid 56 through 73 removed outlier: 3.576A pdb=" N LEU 6 60 " --> pdb=" O ASN 6 56 " (cutoff:3.500A) removed outlier: 4.401A pdb=" N SER 6 62 " --> pdb=" O GLU 6 58 " (cutoff:3.500A) removed outlier: 3.884A pdb=" N GLU 6 72 " --> pdb=" O ARG 6 68 " (cutoff:3.500A) removed outlier: 4.840A pdb=" N ALA 6 73 " --> pdb=" O LYS 6 69 " (cutoff:3.500A) Processing helix chain '7' and resid 55 through 62 Processing helix chain '7' and resid 78 through 92 Processing helix chain '7' and resid 97 through 102 removed outlier: 3.957A pdb=" N HIS 7 101 " --> pdb=" O ALA 7 97 " (cutoff:3.500A) Proline residue: 7 102 - end of helix No H-bonds generated for 'chain '7' and resid 97 through 102' Processing helix chain '7' and resid 112 through 125 Processing helix chain '7' and resid 136 through 146 removed outlier: 3.803A pdb=" N LEU 7 140 " --> pdb=" O ILE 7 136 " (cutoff:3.500A) Processing helix chain '7' and resid 181 through 197 Processing helix chain '7' and resid 202 through 216 Processing helix chain '7' and resid 222 through 233 removed outlier: 4.174A pdb=" N GLU 7 226 " --> pdb=" O ASP 7 222 " (cutoff:3.500A) Processing helix chain '7' and resid 250 through 264 removed outlier: 3.685A pdb=" N ARG 7 254 " --> pdb=" O ILE 7 250 " (cutoff:3.500A) Proline residue: 7 258 - end of helix removed outlier: 5.379A pdb=" N LEU 7 261 " --> pdb=" O CYS 7 257 " (cutoff:3.500A) removed outlier: 4.734A pdb=" N PHE 7 262 " --> pdb=" O PRO 7 258 " (cutoff:3.500A) Proline residue: 7 264 - end of helix Processing helix chain '7' and resid 273 through 286 removed outlier: 5.039A pdb=" N ASP 7 286 " --> pdb=" O ILE 7 282 " (cutoff:3.500A) Processing helix chain '7' and resid 289 through 297 removed outlier: 3.632A pdb=" N THR 7 297 " --> pdb=" O LEU 7 293 " (cutoff:3.500A) Processing helix chain '7' and resid 308 through 322 removed outlier: 3.568A pdb=" N ALA 7 321 " --> pdb=" O ILE 7 317 " (cutoff:3.500A) Proline residue: 7 322 - end of helix Processing helix chain '7' and resid 337 through 349 removed outlier: 3.570A pdb=" N SER 7 348 " --> pdb=" O SER 7 344 " (cutoff:3.500A) removed outlier: 3.581A pdb=" N LEU 7 349 " --> pdb=" O ILE 7 345 " (cutoff:3.500A) Processing helix chain '7' and resid 350 through 356 removed outlier: 4.389A pdb=" N GLN 7 354 " --> pdb=" O SER 7 350 " (cutoff:3.500A) removed outlier: 4.320A pdb=" N MET 7 355 " --> pdb=" O THR 7 351 " (cutoff:3.500A) removed outlier: 4.023A pdb=" N TRP 7 356 " --> pdb=" O PHE 7 352 " (cutoff:3.500A) No H-bonds generated for 'chain '7' and resid 350 through 356' Processing helix chain '7' and resid 358 through 366 removed outlier: 3.698A pdb=" N TYR 7 362 " --> pdb=" O SER 7 358 " (cutoff:3.500A) Processing helix chain '7' and resid 367 through 374 removed outlier: 4.668A pdb=" N HIS 7 371 " --> pdb=" O PRO 7 367 " (cutoff:3.500A) removed outlier: 4.134A pdb=" N ARG 7 372 " --> pdb=" O SER 7 368 " (cutoff:3.500A) Processing helix chain '7' and resid 301 through 306 removed outlier: 3.868A pdb=" N TYR 7 306 " --> pdb=" O THR 7 303 " (cutoff:3.500A) Processing helix chain 'A' and resid 150 through 169 removed outlier: 3.941A pdb=" N LEU A 154 " --> pdb=" O LEU A 150 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N GLU A 155 " --> pdb=" O GLN A 151 " (cutoff:3.500A) removed outlier: 4.041A pdb=" N LEU A 156 " --> pdb=" O GLN A 152 " (cutoff:3.500A) removed outlier: 3.647A pdb=" N LYS A 157 " --> pdb=" O SER A 153 " (cutoff:3.500A) removed outlier: 3.979A pdb=" N LYS A 167 " --> pdb=" O ASP A 163 " (cutoff:3.500A) removed outlier: 3.500A pdb=" N LYS A 168 " --> pdb=" O LYS A 164 " (cutoff:3.500A) removed outlier: 4.278A pdb=" N ASN A 169 " --> pdb=" O GLN A 165 " (cutoff:3.500A) Processing helix chain 'A' and resid 178 through 184 removed outlier: 4.652A pdb=" N TYR A 182 " --> pdb=" O PRO A 178 " (cutoff:3.500A) removed outlier: 3.724A pdb=" N GLU A 183 " --> pdb=" O ALA A 179 " (cutoff:3.500A) Processing helix chain 'A' and resid 204 through 209 Proline residue: A 209 - end of helix Processing helix chain 'A' and resid 210 through 227 removed outlier: 4.113A pdb=" N VAL A 226 " --> pdb=" O LEU A 222 " (cutoff:3.500A) removed outlier: 3.836A pdb=" N GLY A 227 " --> pdb=" O TYR A 223 " (cutoff:3.500A) Processing helix chain 'A' and resid 253 through 281 removed outlier: 4.079A pdb=" N HIS A 261 " --> pdb=" O ARG A 257 " (cutoff:3.500A) Proline residue: A 265 - end of helix removed outlier: 3.526A pdb=" N ALA A 272 " --> pdb=" O ALA A 268 " (cutoff:3.500A) removed outlier: 3.579A pdb=" N ARG A 275 " --> pdb=" O SER A 271 " (cutoff:3.500A) removed outlier: 4.200A pdb=" N SER A 281 " --> pdb=" O ILE A 277 " (cutoff:3.500A) Processing helix chain 'A' and resid 286 through 317 removed outlier: 3.578A pdb=" N THR A 298 " --> pdb=" O ALA A 294 " (cutoff:3.500A) removed outlier: 3.759A pdb=" N LEU A 299 " --> pdb=" O ALA A 295 " (cutoff:3.500A) removed outlier: 3.762A pdb=" N GLU A 302 " --> pdb=" O THR A 298 " (cutoff:3.500A) removed outlier: 3.771A pdb=" N HIS A 303 " --> pdb=" O LEU A 299 " (cutoff:3.500A) removed outlier: 3.532A pdb=" N LEU A 304 " --> pdb=" O VAL A 300 " (cutoff:3.500A) removed outlier: 3.798A pdb=" N SER A 308 " --> pdb=" O LEU A 304 " (cutoff:3.500A) removed outlier: 3.693A pdb=" N GLN A 309 " --> pdb=" O ILE A 305 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N HIS A 314 " --> pdb=" O LEU A 310 " (cutoff:3.500A) Processing helix chain 'A' and resid 320 through 347 Proline residue: A 330 - end of helix removed outlier: 3.545A pdb=" N ARG A 333 " --> pdb=" O GLN A 329 " (cutoff:3.500A) removed outlier: 3.628A pdb=" N ASP A 346 " --> pdb=" O ALA A 342 " (cutoff:3.500A) Processing helix chain 'A' and resid 352 through 367 removed outlier: 4.535A pdb=" N LEU A 359 " --> pdb=" O THR A 355 " (cutoff:3.500A) removed outlier: 4.211A pdb=" N SER A 363 " --> pdb=" O LEU A 359 " (cutoff:3.500A) removed outlier: 4.337A pdb=" N PHE A 364 " --> pdb=" O HIS A 360 " (cutoff:3.500A) removed outlier: 4.059A pdb=" N SER A 365 " --> pdb=" O ASP A 361 " (cutoff:3.500A) removed outlier: 4.424A pdb=" N TYR A 366 " --> pdb=" O ARG A 362 " (cutoff:3.500A) removed outlier: 5.764A pdb=" N THR A 367 " --> pdb=" O SER A 363 " (cutoff:3.500A) Processing helix chain 'A' and resid 369 through 388 removed outlier: 6.589A pdb=" N GLN A 373 " --> pdb=" O ASP A 369 " (cutoff:3.500A) removed outlier: 4.908A pdb=" N GLU A 374 " --> pdb=" O SER A 370 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N ALA A 385 " --> pdb=" O LYS A 381 " (cutoff:3.500A) Proline residue: A 386 - end of helix Processing helix chain 'A' and resid 427 through 433 removed outlier: 5.180A pdb=" N TYR A 432 " --> pdb=" O TRP A 428 " (cutoff:3.500A) removed outlier: 4.628A pdb=" N THR A 433 " --> pdb=" O ASP A 429 " (cutoff:3.500A) Processing helix chain 'A' and resid 446 through 464 removed outlier: 3.656A pdb=" N LEU A 451 " --> pdb=" O ALA A 447 " (cutoff:3.500A) removed outlier: 3.829A pdb=" N GLY A 454 " --> pdb=" O ILE A 450 " (cutoff:3.500A) removed outlier: 3.604A pdb=" N VAL A 459 " --> pdb=" O LYS A 455 " (cutoff:3.500A) removed outlier: 4.210A pdb=" N VAL A 460 " --> pdb=" O TYR A 456 " (cutoff:3.500A) removed outlier: 4.060A pdb=" N ARG A 461 " --> pdb=" O LEU A 457 " (cutoff:3.500A) removed outlier: 4.017A pdb=" N GLU A 462 " --> pdb=" O ASN A 458 " (cutoff:3.500A) removed outlier: 3.982A pdb=" N CYS A 463 " --> pdb=" O VAL A 459 " (cutoff:3.500A) Processing helix chain 'A' and resid 482 through 506 removed outlier: 4.425A pdb=" N GLU A 486 " --> pdb=" O ARG A 482 " (cutoff:3.500A) removed outlier: 4.231A pdb=" N GLN A 487 " --> pdb=" O ALA A 483 " (cutoff:3.500A) removed outlier: 3.958A pdb=" N ILE A 488 " --> pdb=" O TYR A 484 " (cutoff:3.500A) Processing helix chain 'A' and resid 508 through 520 removed outlier: 3.890A pdb=" N HIS A 512 " --> pdb=" O GLU A 508 " (cutoff:3.500A) removed outlier: 4.759A pdb=" N ARG A 514 " --> pdb=" O VAL A 510 " (cutoff:3.500A) removed outlier: 3.815A pdb=" N ARG A 518 " --> pdb=" O ARG A 514 " (cutoff:3.500A) removed outlier: 3.853A pdb=" N TYR A 519 " --> pdb=" O SER A 515 " (cutoff:3.500A) Processing helix chain 'A' and resid 524 through 535 removed outlier: 4.954A pdb=" N PHE A 528 " --> pdb=" O GLN A 524 " (cutoff:3.500A) removed outlier: 3.706A pdb=" N HIS A 530 " --> pdb=" O ASP A 526 " (cutoff:3.500A) removed outlier: 3.878A pdb=" N PHE A 531 " --> pdb=" O PHE A 527 " (cutoff:3.500A) removed outlier: 3.575A pdb=" N ASP A 533 " --> pdb=" O VAL A 529 " (cutoff:3.500A) Processing helix chain 'A' and resid 536 through 541 Processing helix chain 'A' and resid 542 through 547 removed outlier: 5.606A pdb=" N THR A 547 " --> pdb=" O VAL A 543 " (cutoff:3.500A) Processing helix chain 'A' and resid 548 through 562 removed outlier: 3.694A pdb=" N GLU A 552 " --> pdb=" O PRO A 548 " (cutoff:3.500A) Processing helix chain 'A' and resid 563 through 568 removed outlier: 4.556A pdb=" N ASP A 567 " --> pdb=" O THR A 563 " (cutoff:3.500A) Proline residue: A 568 - end of helix No H-bonds generated for 'chain 'A' and resid 563 through 568' Processing helix chain 'A' and resid 611 through 616 removed outlier: 3.522A pdb=" N ALA A 615 " --> pdb=" O SER A 611 " (cutoff:3.500A) Processing helix chain 'A' and resid 626 through 631 removed outlier: 3.640A pdb=" N ASN A 631 " --> pdb=" O SER A 627 " (cutoff:3.500A) Processing helix chain 'A' and resid 632 through 662 removed outlier: 4.033A pdb=" N GLU A 652 " --> pdb=" O CYS A 648 " (cutoff:3.500A) removed outlier: 3.583A pdb=" N ARG A 653 " --> pdb=" O LYS A 649 " (cutoff:3.500A) Processing helix chain 'A' and resid 677 through 699 removed outlier: 3.597A pdb=" N LEU A 682 " --> pdb=" O GLY A 678 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N ASN A 688 " --> pdb=" O GLN A 684 " (cutoff:3.500A) removed outlier: 3.900A pdb=" N PHE A 689 " --> pdb=" O ARG A 685 " (cutoff:3.500A) removed outlier: 4.930A pdb=" N ASN A 692 " --> pdb=" O ASN A 688 " (cutoff:3.500A) Processing helix chain 'A' and resid 701 through 716 removed outlier: 3.836A pdb=" N LYS A 711 " --> pdb=" O HIS A 707 " (cutoff:3.500A) removed outlier: 4.083A pdb=" N LEU A 713 " --> pdb=" O LEU A 709 " (cutoff:3.500A) removed outlier: 4.505A pdb=" N LYS A 714 " --> pdb=" O GLU A 710 " (cutoff:3.500A) Processing helix chain 'A' and resid 718 through 738 removed outlier: 3.736A pdb=" N VAL A 722 " --> pdb=" O ASN A 718 " (cutoff:3.500A) removed outlier: 4.041A pdb=" N GLY A 724 " --> pdb=" O ASP A 720 " (cutoff:3.500A) removed outlier: 4.429A pdb=" N CYS A 737 " --> pdb=" O CYS A 733 " (cutoff:3.500A) removed outlier: 4.461A pdb=" N MET A 738 " --> pdb=" O LEU A 734 " (cutoff:3.500A) Processing helix chain 'A' and resid 745 through 764 removed outlier: 4.032A pdb=" N SER A 749 " --> pdb=" O LEU A 745 " (cutoff:3.500A) Processing helix chain 'A' and resid 814 through 844 removed outlier: 3.820A pdb=" N LEU A 836 " --> pdb=" O HIS A 832 " (cutoff:3.500A) removed outlier: 5.046A pdb=" N SER A 844 " --> pdb=" O LEU A 840 " (cutoff:3.500A) Processing helix chain 'A' and resid 851 through 861 removed outlier: 3.821A pdb=" N VAL A 855 " --> pdb=" O GLY A 851 " (cutoff:3.500A) Processing helix chain 'B' and resid 246 through 260 removed outlier: 3.907A pdb=" N ARG B 252 " --> pdb=" O ALA B 248 " (cutoff:3.500A) removed outlier: 4.126A pdb=" N LEU B 255 " --> pdb=" O VAL B 251 " (cutoff:3.500A) removed outlier: 3.930A pdb=" N GLN B 259 " --> pdb=" O LEU B 255 " (cutoff:3.500A) removed outlier: 3.726A pdb=" N GLY B 260 " --> pdb=" O TYR B 256 " (cutoff:3.500A) Processing helix chain 'B' and resid 286 through 315 removed outlier: 5.092A pdb=" N THR B 290 " --> pdb=" O SER B 286 " (cutoff:3.500A) removed outlier: 3.644A pdb=" N GLU B 296 " --> pdb=" O VAL B 292 " (cutoff:3.500A) removed outlier: 5.731A pdb=" N LEU B 297 " --> pdb=" O ARG B 293 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N GLY B 298 " --> pdb=" O LEU B 294 " (cutoff:3.500A) removed outlier: 3.876A pdb=" N TRP B 299 " --> pdb=" O SER B 295 " (cutoff:3.500A) removed outlier: 4.336A pdb=" N ARG B 305 " --> pdb=" O HIS B 301 " (cutoff:3.500A) removed outlier: 3.685A pdb=" N THR B 308 " --> pdb=" O ILE B 304 " (cutoff:3.500A) removed outlier: 3.526A pdb=" N LEU B 313 " --> pdb=" O ASP B 309 " (cutoff:3.500A) removed outlier: 3.942A pdb=" N ASP B 314 " --> pdb=" O GLN B 310 " (cutoff:3.500A) removed outlier: 5.199A pdb=" N ARG B 315 " --> pdb=" O ARG B 311 " (cutoff:3.500A) Processing helix chain 'B' and resid 319 through 347 removed outlier: 4.441A pdb=" N SER B 323 " --> pdb=" O LEU B 319 " (cutoff:3.500A) removed outlier: 3.955A pdb=" N HIS B 329 " --> pdb=" O CYS B 325 " (cutoff:3.500A) removed outlier: 3.980A pdb=" N LEU B 332 " --> pdb=" O LEU B 328 " (cutoff:3.500A) removed outlier: 4.020A pdb=" N GLU B 334 " --> pdb=" O GLN B 330 " (cutoff:3.500A) removed outlier: 3.774A pdb=" N TYR B 335 " --> pdb=" O GLU B 331 " (cutoff:3.500A) removed outlier: 3.691A pdb=" N GLN B 345 " --> pdb=" O VAL B 341 " (cutoff:3.500A) removed outlier: 3.525A pdb=" N LEU B 346 " --> pdb=" O LEU B 342 " (cutoff:3.500A) removed outlier: 4.887A pdb=" N GLN B 347 " --> pdb=" O HIS B 343 " (cutoff:3.500A) Processing helix chain 'B' and resid 363 through 368 removed outlier: 5.207A pdb=" N LEU B 367 " --> pdb=" O THR B 363 " (cutoff:3.500A) Processing helix chain 'B' and resid 369 through 389 removed outlier: 4.576A pdb=" N ASP B 373 " --> pdb=" O VAL B 369 " (cutoff:3.500A) Proline residue: B 374 - end of helix removed outlier: 3.927A pdb=" N ARG B 377 " --> pdb=" O ASP B 373 " (cutoff:3.500A) removed outlier: 3.726A pdb=" N THR B 380 " --> pdb=" O ILE B 376 " (cutoff:3.500A) removed outlier: 3.559A pdb=" N ALA B 382 " --> pdb=" O LEU B 378 " (cutoff:3.500A) removed outlier: 4.474A pdb=" N ALA B 383 " --> pdb=" O LYS B 379 " (cutoff:3.500A) Processing helix chain 'B' and resid 393 through 406 removed outlier: 4.612A pdb=" N ALA B 397 " --> pdb=" O GLY B 393 " (cutoff:3.500A) removed outlier: 4.143A pdb=" N SER B 398 " --> pdb=" O GLY B 394 " (cutoff:3.500A) removed outlier: 4.202A pdb=" N ALA B 399 " --> pdb=" O GLU B 395 " (cutoff:3.500A) removed outlier: 5.009A pdb=" N VAL B 400 " --> pdb=" O LEU B 396 " (cutoff:3.500A) removed outlier: 3.732A pdb=" N THR B 404 " --> pdb=" O VAL B 400 " (cutoff:3.500A) removed outlier: 3.845A pdb=" N LYS B 405 " --> pdb=" O HIS B 401 " (cutoff:3.500A) removed outlier: 4.736A pdb=" N THR B 406 " --> pdb=" O ALA B 402 " (cutoff:3.500A) Processing helix chain 'B' and resid 409 through 431 removed outlier: 3.891A pdb=" N SER B 413 " --> pdb=" O PRO B 409 " (cutoff:3.500A) removed outlier: 4.138A pdb=" N LEU B 414 " --> pdb=" O TYR B 410 " (cutoff:3.500A) removed outlier: 3.625A pdb=" N VAL B 415 " --> pdb=" O MET B 411 " (cutoff:3.500A) removed outlier: 4.144A pdb=" N GLN B 416 " --> pdb=" O ARG B 412 " (cutoff:3.500A) removed outlier: 4.715A pdb=" N HIS B 417 " --> pdb=" O SER B 413 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N LEU B 419 " --> pdb=" O VAL B 415 " (cutoff:3.500A) removed outlier: 3.924A pdb=" N SER B 420 " --> pdb=" O GLN B 416 " (cutoff:3.500A) removed outlier: 3.536A pdb=" N LEU B 421 " --> pdb=" O HIS B 417 " (cutoff:3.500A) removed outlier: 3.509A pdb=" N VAL B 422 " --> pdb=" O ILE B 418 " (cutoff:3.500A) removed outlier: 4.033A pdb=" N HIS B 424 " --> pdb=" O SER B 420 " (cutoff:3.500A) Proline residue: B 425 - end of helix removed outlier: 3.523A pdb=" N PHE B 429 " --> pdb=" O PRO B 425 " (cutoff:3.500A) Processing helix chain 'B' and resid 457 through 462 removed outlier: 4.795A pdb=" N HIS B 461 " --> pdb=" O ASP B 457 " (cutoff:3.500A) Processing helix chain 'B' and resid 476 through 496 removed outlier: 3.795A pdb=" N LEU B 484 " --> pdb=" O SER B 480 " (cutoff:3.500A) removed outlier: 3.638A pdb=" N SER B 489 " --> pdb=" O LEU B 485 " (cutoff:3.500A) removed outlier: 3.708A pdb=" N ILE B 490 " --> pdb=" O ILE B 486 " (cutoff:3.500A) removed outlier: 4.434A pdb=" N ASN B 491 " --> pdb=" O GLY B 487 " (cutoff:3.500A) removed outlier: 4.140A pdb=" N PHE B 492 " --> pdb=" O LYS B 488 " (cutoff:3.500A) Processing helix chain 'B' and resid 528 through 552 removed outlier: 4.305A pdb=" N GLY B 532 " --> pdb=" O ASN B 528 " (cutoff:3.500A) removed outlier: 3.856A pdb=" N LYS B 533 " --> pdb=" O ALA B 529 " (cutoff:3.500A) removed outlier: 3.693A pdb=" N ASP B 535 " --> pdb=" O GLN B 531 " (cutoff:3.500A) removed outlier: 4.263A pdb=" N ALA B 536 " --> pdb=" O GLY B 532 " (cutoff:3.500A) removed outlier: 4.107A pdb=" N LYS B 543 " --> pdb=" O PHE B 539 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N ASP B 547 " --> pdb=" O LYS B 543 " (cutoff:3.500A) removed outlier: 3.668A pdb=" N LEU B 549 " --> pdb=" O LEU B 545 " (cutoff:3.500A) removed outlier: 4.779A pdb=" N ASN B 550 " --> pdb=" O LEU B 546 " (cutoff:3.500A) Processing helix chain 'B' and resid 554 through 565 removed outlier: 3.990A pdb=" N HIS B 558 " --> pdb=" O SER B 554 " (cutoff:3.500A) removed outlier: 4.030A pdb=" N ARG B 563 " --> pdb=" O MET B 559 " (cutoff:3.500A) removed outlier: 3.719A pdb=" N ARG B 564 " --> pdb=" O GLN B 560 " (cutoff:3.500A) Processing helix chain 'B' and resid 570 through 582 removed outlier: 6.097A pdb=" N ILE B 574 " --> pdb=" O GLN B 570 " (cutoff:3.500A) removed outlier: 3.945A pdb=" N LYS B 582 " --> pdb=" O MET B 578 " (cutoff:3.500A) Processing helix chain 'B' and resid 583 through 588 Proline residue: B 588 - end of helix Processing helix chain 'B' and resid 593 through 609 removed outlier: 3.628A pdb=" N LEU B 597 " --> pdb=" O TYR B 593 " (cutoff:3.500A) removed outlier: 4.061A pdb=" N ILE B 600 " --> pdb=" O ASN B 596 " (cutoff:3.500A) removed outlier: 3.867A pdb=" N LEU B 601 " --> pdb=" O LEU B 597 " (cutoff:3.500A) removed outlier: 4.022A pdb=" N GLU B 602 " --> pdb=" O THR B 598 " (cutoff:3.500A) removed outlier: 4.297A pdb=" N THR B 603 " --> pdb=" O GLY B 599 " (cutoff:3.500A) removed outlier: 3.646A pdb=" N ALA B 604 " --> pdb=" O ILE B 600 " (cutoff:3.500A) removed outlier: 4.865A pdb=" N ASN B 609 " --> pdb=" O VAL B 605 " (cutoff:3.500A) Processing helix chain 'B' and resid 614 through 622 removed outlier: 3.718A pdb=" N LEU B 621 " --> pdb=" O ILE B 617 " (cutoff:3.500A) removed outlier: 5.333A pdb=" N ASP B 622 " --> pdb=" O LEU B 618 " (cutoff:3.500A) Processing helix chain 'B' and resid 633 through 638 removed outlier: 4.023A pdb=" N PHE B 638 " --> pdb=" O GLY B 634 " (cutoff:3.500A) Processing helix chain 'B' and resid 648 through 653 removed outlier: 4.140A pdb=" N PHE B 652 " --> pdb=" O ILE B 648 " (cutoff:3.500A) removed outlier: 4.109A pdb=" N THR B 653 " --> pdb=" O ALA B 649 " (cutoff:3.500A) No H-bonds generated for 'chain 'B' and resid 648 through 653' Processing helix chain 'B' and resid 654 through 692 removed outlier: 3.991A pdb=" N ARG B 662 " --> pdb=" O SER B 658 " (cutoff:3.500A) removed outlier: 3.691A pdb=" N PHE B 664 " --> pdb=" O TYR B 660 " (cutoff:3.500A) removed outlier: 3.894A pdb=" N PHE B 666 " --> pdb=" O ARG B 662 " (cutoff:3.500A) removed outlier: 3.715A pdb=" N TYR B 675 " --> pdb=" O LYS B 671 " (cutoff:3.500A) removed outlier: 3.934A pdb=" N THR B 678 " --> pdb=" O GLU B 674 " (cutoff:3.500A) removed outlier: 3.716A pdb=" N LYS B 689 " --> pdb=" O MET B 685 " (cutoff:3.500A) removed outlier: 3.623A pdb=" N LEU B 690 " --> pdb=" O CYS B 686 " (cutoff:3.500A) removed outlier: 3.996A pdb=" N LEU B 691 " --> pdb=" O ASN B 687 " (cutoff:3.500A) removed outlier: 4.268A pdb=" N ARG B 692 " --> pdb=" O ALA B 688 " (cutoff:3.500A) Processing helix chain 'B' and resid 694 through 725 removed outlier: 4.687A pdb=" N SER B 698 " --> pdb=" O MET B 694 " (cutoff:3.500A) removed outlier: 4.591A pdb=" N GLY B 699 " --> pdb=" O PRO B 695 " (cutoff:3.500A) removed outlier: 5.792A pdb=" N VAL B 700 " --> pdb=" O GLU B 696 " (cutoff:3.500A) removed outlier: 3.543A pdb=" N MET B 711 " --> pdb=" O LEU B 707 " (cutoff:3.500A) removed outlier: 4.085A pdb=" N THR B 723 " --> pdb=" O GLN B 719 " (cutoff:3.500A) Processing helix chain 'B' and resid 727 through 741 removed outlier: 4.095A pdb=" N GLU B 733 " --> pdb=" O CYS B 729 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N LEU B 734 " --> pdb=" O SER B 730 " (cutoff:3.500A) removed outlier: 3.842A pdb=" N GLN B 740 " --> pdb=" O ASN B 736 " (cutoff:3.500A) removed outlier: 3.864A pdb=" N ALA B 741 " --> pdb=" O LYS B 737 " (cutoff:3.500A) Processing helix chain 'B' and resid 743 through 763 removed outlier: 4.502A pdb=" N ALA B 749 " --> pdb=" O ASP B 745 " (cutoff:3.500A) removed outlier: 3.672A pdb=" N ALA B 750 " --> pdb=" O HIS B 746 " (cutoff:3.500A) removed outlier: 4.698A pdb=" N HIS B 751 " --> pdb=" O ILE B 747 " (cutoff:3.500A) removed outlier: 4.211A pdb=" N GLU B 752 " --> pdb=" O ILE B 748 " (cutoff:3.500A) removed outlier: 3.903A pdb=" N ASP B 756 " --> pdb=" O GLU B 752 " (cutoff:3.500A) removed outlier: 4.590A pdb=" N ILE B 758 " --> pdb=" O PHE B 754 " (cutoff:3.500A) removed outlier: 3.891A pdb=" N LEU B 763 " --> pdb=" O ILE B 759 " (cutoff:3.500A) Processing helix chain 'B' and resid 768 through 815 removed outlier: 4.514A pdb=" N LEU B 772 " --> pdb=" O SER B 768 " (cutoff:3.500A) removed outlier: 3.705A pdb=" N ALA B 777 " --> pdb=" O ASN B 773 " (cutoff:3.500A) removed outlier: 3.538A pdb=" N PHE B 779 " --> pdb=" O LEU B 775 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N LYS B 811 " --> pdb=" O GLU B 807 " (cutoff:3.500A) Processing helix chain 'B' and resid 825 through 865 Proline residue: B 841 - end of helix removed outlier: 3.746A pdb=" N GLN B 860 " --> pdb=" O GLY B 856 " (cutoff:3.500A) removed outlier: 3.618A pdb=" N VAL B 863 " --> pdb=" O GLN B 859 " (cutoff:3.500A) removed outlier: 3.946A pdb=" N LEU B 865 " --> pdb=" O PHE B 861 " (cutoff:3.500A) Processing helix chain 'B' and resid 870 through 882 removed outlier: 3.503A pdb=" N ARG B 874 " --> pdb=" O ASP B 870 " (cutoff:3.500A) removed outlier: 4.515A pdb=" N LEU B 876 " --> pdb=" O SER B 872 " (cutoff:3.500A) removed outlier: 3.812A pdb=" N SER B 877 " --> pdb=" O LEU B 873 " (cutoff:3.500A) removed outlier: 3.987A pdb=" N PHE B 878 " --> pdb=" O ARG B 874 " (cutoff:3.500A) removed outlier: 3.557A pdb=" N ARG B 879 " --> pdb=" O PHE B 875 " (cutoff:3.500A) removed outlier: 3.933A pdb=" N ASP B 881 " --> pdb=" O SER B 877 " (cutoff:3.500A) Processing helix chain 'C' and resid 150 through 169 removed outlier: 4.315A pdb=" N LEU C 154 " --> pdb=" O LEU C 150 " (cutoff:3.500A) removed outlier: 3.784A pdb=" N ASN C 166 " --> pdb=" O ARG C 162 " (cutoff:3.500A) removed outlier: 3.667A pdb=" N LYS C 167 " --> pdb=" O ASP C 163 " (cutoff:3.500A) removed outlier: 3.694A pdb=" N LYS C 168 " --> pdb=" O LYS C 164 " (cutoff:3.500A) removed outlier: 3.739A pdb=" N ASN C 169 " --> pdb=" O GLN C 165 " (cutoff:3.500A) Processing helix chain 'C' and resid 178 through 184 removed outlier: 4.806A pdb=" N TYR C 182 " --> pdb=" O PRO C 178 " (cutoff:3.500A) Processing helix chain 'C' and resid 209 through 227 removed outlier: 3.544A pdb=" N TYR C 223 " --> pdb=" O GLU C 219 " (cutoff:3.500A) removed outlier: 4.410A pdb=" N VAL C 226 " --> pdb=" O LEU C 222 " (cutoff:3.500A) removed outlier: 4.631A pdb=" N GLY C 227 " --> pdb=" O TYR C 223 " (cutoff:3.500A) Processing helix chain 'C' and resid 254 through 281 removed outlier: 4.270A pdb=" N GLU C 258 " --> pdb=" O LEU C 254 " (cutoff:3.500A) removed outlier: 3.812A pdb=" N LEU C 259 " --> pdb=" O SER C 255 " (cutoff:3.500A) removed outlier: 3.570A pdb=" N HIS C 261 " --> pdb=" O ARG C 257 " (cutoff:3.500A) removed outlier: 3.520A pdb=" N ARG C 262 " --> pdb=" O GLU C 258 " (cutoff:3.500A) Proline residue: C 265 - end of helix removed outlier: 3.591A pdb=" N ALA C 268 " --> pdb=" O LEU C 264 " (cutoff:3.500A) removed outlier: 3.532A pdb=" N SER C 269 " --> pdb=" O PRO C 265 " (cutoff:3.500A) removed outlier: 3.652A pdb=" N ALA C 272 " --> pdb=" O ALA C 268 " (cutoff:3.500A) removed outlier: 4.982A pdb=" N VAL C 273 " --> pdb=" O SER C 269 " (cutoff:3.500A) removed outlier: 3.763A pdb=" N THR C 274 " --> pdb=" O TYR C 270 " (cutoff:3.500A) removed outlier: 4.067A pdb=" N ARG C 275 " --> pdb=" O SER C 271 " (cutoff:3.500A) removed outlier: 4.793A pdb=" N PHE C 276 " --> pdb=" O ALA C 272 " (cutoff:3.500A) removed outlier: 4.031A pdb=" N GLU C 279 " --> pdb=" O ARG C 275 " (cutoff:3.500A) removed outlier: 3.770A pdb=" N SER C 281 " --> pdb=" O ILE C 277 " (cutoff:3.500A) Processing helix chain 'C' and resid 286 through 316 removed outlier: 3.967A pdb=" N HIS C 290 " --> pdb=" O GLY C 286 " (cutoff:3.500A) removed outlier: 5.003A pdb=" N ALA C 291 " --> pdb=" O GLN C 287 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N ALA C 293 " --> pdb=" O ASN C 289 " (cutoff:3.500A) removed outlier: 3.818A pdb=" N MET C 296 " --> pdb=" O LEU C 292 " (cutoff:3.500A) removed outlier: 4.656A pdb=" N ARG C 297 " --> pdb=" O ALA C 293 " (cutoff:3.500A) removed outlier: 4.616A pdb=" N THR C 298 " --> pdb=" O ALA C 294 " (cutoff:3.500A) removed outlier: 4.978A pdb=" N LEU C 299 " --> pdb=" O ALA C 295 " (cutoff:3.500A) removed outlier: 4.188A pdb=" N VAL C 300 " --> pdb=" O MET C 296 " (cutoff:3.500A) removed outlier: 3.827A pdb=" N GLN C 316 " --> pdb=" O GLN C 312 " (cutoff:3.500A) Processing helix chain 'C' and resid 320 through 347 removed outlier: 3.731A pdb=" N GLN C 329 " --> pdb=" O TRP C 325 " (cutoff:3.500A) Proline residue: C 330 - end of helix removed outlier: 4.173A pdb=" N ARG C 333 " --> pdb=" O GLN C 329 " (cutoff:3.500A) removed outlier: 3.743A pdb=" N THR C 334 " --> pdb=" O PRO C 330 " (cutoff:3.500A) removed outlier: 4.258A pdb=" N MET C 335 " --> pdb=" O ALA C 331 " (cutoff:3.500A) removed outlier: 4.245A pdb=" N ASP C 336 " --> pdb=" O MET C 332 " (cutoff:3.500A) removed outlier: 4.435A pdb=" N LEU C 338 " --> pdb=" O THR C 334 " (cutoff:3.500A) removed outlier: 3.751A pdb=" N ALA C 339 " --> pdb=" O MET C 335 " (cutoff:3.500A) removed outlier: 4.116A pdb=" N THR C 343 " --> pdb=" O ALA C 339 " (cutoff:3.500A) removed outlier: 3.697A pdb=" N LYS C 347 " --> pdb=" O THR C 343 " (cutoff:3.500A) Processing helix chain 'C' and resid 352 through 367 removed outlier: 3.639A pdb=" N LEU C 356 " --> pdb=" O GLY C 352 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N HIS C 360 " --> pdb=" O LEU C 356 " (cutoff:3.500A) removed outlier: 3.691A pdb=" N ARG C 362 " --> pdb=" O LEU C 358 " (cutoff:3.500A) removed outlier: 4.585A pdb=" N SER C 363 " --> pdb=" O LEU C 359 " (cutoff:3.500A) removed outlier: 5.015A pdb=" N PHE C 364 " --> pdb=" O HIS C 360 " (cutoff:3.500A) removed outlier: 4.059A pdb=" N TYR C 366 " --> pdb=" O ARG C 362 " (cutoff:3.500A) removed outlier: 3.659A pdb=" N THR C 367 " --> pdb=" O SER C 363 " (cutoff:3.500A) Processing helix chain 'C' and resid 371 through 388 removed outlier: 4.542A pdb=" N LEU C 375 " --> pdb=" O GLN C 371 " (cutoff:3.500A) removed outlier: 3.522A pdb=" N ALA C 383 " --> pdb=" O LEU C 379 " (cutoff:3.500A) removed outlier: 3.981A pdb=" N SER C 384 " --> pdb=" O THR C 380 " (cutoff:3.500A) removed outlier: 4.467A pdb=" N ALA C 385 " --> pdb=" O LYS C 381 " (cutoff:3.500A) Proline residue: C 386 - end of helix Processing helix chain 'C' and resid 440 through 445 removed outlier: 3.824A pdb=" N GLN C 444 " --> pdb=" O PRO C 440 " (cutoff:3.500A) removed outlier: 5.356A pdb=" N LYS C 445 " --> pdb=" O SER C 441 " (cutoff:3.500A) No H-bonds generated for 'chain 'C' and resid 440 through 445' Processing helix chain 'C' and resid 446 through 464 removed outlier: 3.858A pdb=" N VAL C 460 " --> pdb=" O TYR C 456 " (cutoff:3.500A) removed outlier: 4.448A pdb=" N CYS C 463 " --> pdb=" O VAL C 459 " (cutoff:3.500A) Processing helix chain 'C' and resid 482 through 506 removed outlier: 4.696A pdb=" N GLU C 486 " --> pdb=" O ARG C 482 " (cutoff:3.500A) removed outlier: 5.522A pdb=" N ILE C 488 " --> pdb=" O TYR C 484 " (cutoff:3.500A) removed outlier: 4.760A pdb=" N GLU C 489 " --> pdb=" O VAL C 485 " (cutoff:3.500A) removed outlier: 3.829A pdb=" N TYR C 494 " --> pdb=" O LYS C 490 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N SER C 496 " --> pdb=" O PHE C 492 " (cutoff:3.500A) removed outlier: 5.112A pdb=" N LYS C 497 " --> pdb=" O ASN C 493 " (cutoff:3.500A) removed outlier: 4.079A pdb=" N LEU C 500 " --> pdb=" O SER C 496 " (cutoff:3.500A) removed outlier: 3.691A pdb=" N ASP C 501 " --> pdb=" O LYS C 497 " (cutoff:3.500A) Processing helix chain 'C' and resid 508 through 520 removed outlier: 4.229A pdb=" N HIS C 512 " --> pdb=" O GLU C 508 " (cutoff:3.500A) removed outlier: 3.665A pdb=" N ARG C 514 " --> pdb=" O VAL C 510 " (cutoff:3.500A) removed outlier: 4.520A pdb=" N TYR C 519 " --> pdb=" O SER C 515 " (cutoff:3.500A) Processing helix chain 'C' and resid 524 through 536 removed outlier: 4.615A pdb=" N PHE C 528 " --> pdb=" O GLN C 524 " (cutoff:3.500A) removed outlier: 3.579A pdb=" N ASP C 533 " --> pdb=" O VAL C 529 " (cutoff:3.500A) Processing helix chain 'C' and resid 537 through 542 removed outlier: 3.915A pdb=" N LYS C 541 " --> pdb=" O GLU C 537 " (cutoff:3.500A) Proline residue: C 542 - end of helix No H-bonds generated for 'chain 'C' and resid 537 through 542' Processing helix chain 'C' and resid 547 through 563 removed outlier: 5.266A pdb=" N THR C 563 " --> pdb=" O LEU C 559 " (cutoff:3.500A) Processing helix chain 'C' and resid 611 through 616 removed outlier: 3.560A pdb=" N PHE C 616 " --> pdb=" O GLY C 612 " (cutoff:3.500A) Processing helix chain 'C' and resid 623 through 631 removed outlier: 3.859A pdb=" N LEU C 628 " --> pdb=" O TRP C 624 " (cutoff:3.500A) removed outlier: 5.408A pdb=" N ILE C 629 " --> pdb=" O PRO C 625 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N ILE C 630 " --> pdb=" O LEU C 626 " (cutoff:3.500A) Processing helix chain 'C' and resid 632 through 663 removed outlier: 4.198A pdb=" N TYR C 647 " --> pdb=" O ARG C 643 " (cutoff:3.500A) removed outlier: 4.190A pdb=" N CYS C 648 " --> pdb=" O HIS C 644 " (cutoff:3.500A) removed outlier: 3.804A pdb=" N ARG C 653 " --> pdb=" O LYS C 649 " (cutoff:3.500A) removed outlier: 3.898A pdb=" N GLN C 654 " --> pdb=" O HIS C 650 " (cutoff:3.500A) Processing helix chain 'C' and resid 677 through 699 removed outlier: 4.336A pdb=" N THR C 681 " --> pdb=" O ALA C 677 " (cutoff:3.500A) removed outlier: 4.234A pdb=" N LEU C 682 " --> pdb=" O GLY C 678 " (cutoff:3.500A) removed outlier: 4.000A pdb=" N GLN C 684 " --> pdb=" O PHE C 680 " (cutoff:3.500A) removed outlier: 3.537A pdb=" N PHE C 689 " --> pdb=" O ARG C 685 " (cutoff:3.500A) removed outlier: 4.356A pdb=" N GLN C 694 " --> pdb=" O VAL C 690 " (cutoff:3.500A) removed outlier: 3.549A pdb=" N TYR C 695 " --> pdb=" O GLN C 691 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N MET C 698 " --> pdb=" O GLN C 694 " (cutoff:3.500A) Processing helix chain 'C' and resid 702 through 716 removed outlier: 4.320A pdb=" N LYS C 714 " --> pdb=" O GLU C 710 " (cutoff:3.500A) removed outlier: 3.656A pdb=" N SER C 715 " --> pdb=" O LYS C 711 " (cutoff:3.500A) Processing helix chain 'C' and resid 718 through 738 removed outlier: 3.684A pdb=" N GLY C 724 " --> pdb=" O ASP C 720 " (cutoff:3.500A) removed outlier: 4.991A pdb=" N MET C 738 " --> pdb=" O LEU C 734 " (cutoff:3.500A) Processing helix chain 'C' and resid 745 through 760 removed outlier: 3.846A pdb=" N SER C 749 " --> pdb=" O LEU C 745 " (cutoff:3.500A) Processing helix chain 'C' and resid 763 through 769 removed outlier: 3.523A pdb=" N SER C 768 " --> pdb=" O LYS C 764 " (cutoff:3.500A) removed outlier: 4.207A pdb=" N MET C 769 " --> pdb=" O PHE C 765 " (cutoff:3.500A) Processing helix chain 'C' and resid 816 through 844 removed outlier: 4.398A pdb=" N SER C 844 " --> pdb=" O LEU C 840 " (cutoff:3.500A) Processing helix chain 'C' and resid 853 through 861 removed outlier: 3.580A pdb=" N ASP C 860 " --> pdb=" O ILE C 856 " (cutoff:3.500A) removed outlier: 4.926A pdb=" N PHE C 861 " --> pdb=" O SER C 857 " (cutoff:3.500A) Processing helix chain 'D' and resid 246 through 260 removed outlier: 4.147A pdb=" N ARG D 252 " --> pdb=" O ALA D 248 " (cutoff:3.500A) removed outlier: 3.665A pdb=" N TYR D 256 " --> pdb=" O ARG D 252 " (cutoff:3.500A) Processing helix chain 'D' and resid 289 through 315 removed outlier: 3.533A pdb=" N GLU D 296 " --> pdb=" O VAL D 292 " (cutoff:3.500A) removed outlier: 4.823A pdb=" N LEU D 297 " --> pdb=" O ARG D 293 " (cutoff:3.500A) removed outlier: 4.277A pdb=" N GLY D 298 " --> pdb=" O LEU D 294 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N TRP D 299 " --> pdb=" O SER D 295 " (cutoff:3.500A) removed outlier: 4.070A pdb=" N ILE D 304 " --> pdb=" O LEU D 300 " (cutoff:3.500A) removed outlier: 3.848A pdb=" N SER D 312 " --> pdb=" O THR D 308 " (cutoff:3.500A) removed outlier: 3.934A pdb=" N LEU D 313 " --> pdb=" O ASP D 309 " (cutoff:3.500A) removed outlier: 4.098A pdb=" N ASP D 314 " --> pdb=" O GLN D 310 " (cutoff:3.500A) removed outlier: 6.248A pdb=" N ARG D 315 " --> pdb=" O ARG D 311 " (cutoff:3.500A) Processing helix chain 'D' and resid 318 through 346 removed outlier: 3.706A pdb=" N GLN D 322 " --> pdb=" O GLY D 318 " (cutoff:3.500A) removed outlier: 4.005A pdb=" N SER D 323 " --> pdb=" O LEU D 319 " (cutoff:3.500A) removed outlier: 4.034A pdb=" N ALA D 326 " --> pdb=" O GLN D 322 " (cutoff:3.500A) removed outlier: 3.607A pdb=" N LEU D 338 " --> pdb=" O GLU D 334 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N LEU D 339 " --> pdb=" O TYR D 335 " (cutoff:3.500A) removed outlier: 3.798A pdb=" N SER D 340 " --> pdb=" O TYR D 336 " (cutoff:3.500A) removed outlier: 3.659A pdb=" N HIS D 343 " --> pdb=" O LEU D 339 " (cutoff:3.500A) removed outlier: 3.592A pdb=" N LEU D 346 " --> pdb=" O LEU D 342 " (cutoff:3.500A) Processing helix chain 'D' and resid 367 through 389 removed outlier: 4.497A pdb=" N ASP D 373 " --> pdb=" O VAL D 369 " (cutoff:3.500A) Proline residue: D 374 - end of helix removed outlier: 3.595A pdb=" N LEU D 378 " --> pdb=" O PRO D 374 " (cutoff:3.500A) removed outlier: 3.980A pdb=" N LYS D 379 " --> pdb=" O LYS D 375 " (cutoff:3.500A) Processing helix chain 'D' and resid 393 through 405 removed outlier: 3.942A pdb=" N ALA D 397 " --> pdb=" O GLY D 393 " (cutoff:3.500A) removed outlier: 3.774A pdb=" N SER D 398 " --> pdb=" O GLY D 394 " (cutoff:3.500A) removed outlier: 3.809A pdb=" N ALA D 399 " --> pdb=" O GLU D 395 " (cutoff:3.500A) removed outlier: 4.529A pdb=" N VAL D 400 " --> pdb=" O LEU D 396 " (cutoff:3.500A) removed outlier: 4.280A pdb=" N HIS D 401 " --> pdb=" O ALA D 397 " (cutoff:3.500A) removed outlier: 4.333A pdb=" N ALA D 402 " --> pdb=" O SER D 398 " (cutoff:3.500A) removed outlier: 4.305A pdb=" N TYR D 403 " --> pdb=" O ALA D 399 " (cutoff:3.500A) removed outlier: 4.458A pdb=" N THR D 404 " --> pdb=" O VAL D 400 " (cutoff:3.500A) removed outlier: 4.496A pdb=" N LYS D 405 " --> pdb=" O HIS D 401 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 393 through 405' Processing helix chain 'D' and resid 413 through 431 removed outlier: 4.441A pdb=" N HIS D 417 " --> pdb=" O SER D 413 " (cutoff:3.500A) removed outlier: 4.901A pdb=" N ILE D 418 " --> pdb=" O LEU D 414 " (cutoff:3.500A) removed outlier: 6.313A pdb=" N SER D 420 " --> pdb=" O GLN D 416 " (cutoff:3.500A) removed outlier: 5.063A pdb=" N LEU D 421 " --> pdb=" O HIS D 417 " (cutoff:3.500A) Proline residue: D 425 - end of helix removed outlier: 3.656A pdb=" N LEU D 430 " --> pdb=" O VAL D 426 " (cutoff:3.500A) removed outlier: 3.971A pdb=" N TYR D 431 " --> pdb=" O LEU D 427 " (cutoff:3.500A) Processing helix chain 'D' and resid 476 through 496 removed outlier: 4.393A pdb=" N LYS D 482 " --> pdb=" O ASP D 478 " (cutoff:3.500A) removed outlier: 3.673A pdb=" N VAL D 483 " --> pdb=" O GLN D 479 " (cutoff:3.500A) removed outlier: 4.171A pdb=" N LEU D 484 " --> pdb=" O SER D 480 " (cutoff:3.500A) removed outlier: 4.775A pdb=" N LEU D 485 " --> pdb=" O ARG D 481 " (cutoff:3.500A) removed outlier: 4.402A pdb=" N SER D 489 " --> pdb=" O LEU D 485 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N ILE D 490 " --> pdb=" O ILE D 486 " (cutoff:3.500A) removed outlier: 3.551A pdb=" N ASN D 491 " --> pdb=" O GLY D 487 " (cutoff:3.500A) Processing helix chain 'D' and resid 532 through 551 removed outlier: 4.657A pdb=" N ALA D 536 " --> pdb=" O GLY D 532 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N TYR D 544 " --> pdb=" O GLU D 540 " (cutoff:3.500A) Processing helix chain 'D' and resid 554 through 566 removed outlier: 4.544A pdb=" N HIS D 558 " --> pdb=" O SER D 554 " (cutoff:3.500A) removed outlier: 3.943A pdb=" N ALA D 561 " --> pdb=" O ASP D 557 " (cutoff:3.500A) removed outlier: 3.561A pdb=" N MET D 562 " --> pdb=" O HIS D 558 " (cutoff:3.500A) removed outlier: 3.656A pdb=" N ARG D 563 " --> pdb=" O MET D 559 " (cutoff:3.500A) Processing helix chain 'D' and resid 570 through 582 removed outlier: 3.566A pdb=" N ILE D 574 " --> pdb=" O GLN D 570 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N MET D 578 " --> pdb=" O ILE D 574 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N LYS D 582 " --> pdb=" O MET D 578 " (cutoff:3.500A) Processing helix chain 'D' and resid 583 through 588 Proline residue: D 588 - end of helix Processing helix chain 'D' and resid 593 through 609 removed outlier: 4.066A pdb=" N LEU D 597 " --> pdb=" O TYR D 593 " (cutoff:3.500A) removed outlier: 3.924A pdb=" N THR D 603 " --> pdb=" O GLY D 599 " (cutoff:3.500A) removed outlier: 4.140A pdb=" N ARG D 606 " --> pdb=" O GLU D 602 " (cutoff:3.500A) removed outlier: 3.956A pdb=" N THR D 608 " --> pdb=" O ALA D 604 " (cutoff:3.500A) removed outlier: 5.365A pdb=" N ASN D 609 " --> pdb=" O VAL D 605 " (cutoff:3.500A) Processing helix chain 'D' and resid 614 through 622 removed outlier: 3.789A pdb=" N LEU D 618 " --> pdb=" O SER D 614 " (cutoff:3.500A) removed outlier: 3.533A pdb=" N LEU D 621 " --> pdb=" O ILE D 617 " (cutoff:3.500A) removed outlier: 5.586A pdb=" N ASP D 622 " --> pdb=" O LEU D 618 " (cutoff:3.500A) Processing helix chain 'D' and resid 633 through 638 removed outlier: 3.960A pdb=" N VAL D 637 " --> pdb=" O THR D 633 " (cutoff:3.500A) Processing helix chain 'D' and resid 646 through 653 removed outlier: 4.968A pdb=" N THR D 650 " --> pdb=" O GLY D 646 " (cutoff:3.500A) removed outlier: 4.720A pdb=" N VAL D 651 " --> pdb=" O PRO D 647 " (cutoff:3.500A) removed outlier: 4.116A pdb=" N THR D 653 " --> pdb=" O ALA D 649 " (cutoff:3.500A) Processing helix chain 'D' and resid 654 through 692 removed outlier: 3.767A pdb=" N SER D 658 " --> pdb=" O ARG D 654 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N HIS D 659 " --> pdb=" O GLU D 655 " (cutoff:3.500A) removed outlier: 3.546A pdb=" N ARG D 662 " --> pdb=" O SER D 658 " (cutoff:3.500A) removed outlier: 4.054A pdb=" N GLU D 674 " --> pdb=" O ALA D 670 " (cutoff:3.500A) removed outlier: 3.601A pdb=" N LYS D 689 " --> pdb=" O MET D 685 " (cutoff:3.500A) removed outlier: 4.247A pdb=" N LEU D 690 " --> pdb=" O CYS D 686 " (cutoff:3.500A) Processing helix chain 'D' and resid 694 through 725 removed outlier: 4.500A pdb=" N SER D 698 " --> pdb=" O MET D 694 " (cutoff:3.500A) removed outlier: 5.001A pdb=" N GLY D 699 " --> pdb=" O PRO D 695 " (cutoff:3.500A) removed outlier: 5.194A pdb=" N VAL D 700 " --> pdb=" O GLU D 696 " (cutoff:3.500A) removed outlier: 3.560A pdb=" N LEU D 707 " --> pdb=" O GLN D 703 " (cutoff:3.500A) removed outlier: 3.662A pdb=" N MET D 711 " --> pdb=" O LEU D 707 " (cutoff:3.500A) removed outlier: 3.863A pdb=" N HIS D 713 " --> pdb=" O SER D 709 " (cutoff:3.500A) removed outlier: 3.669A pdb=" N GLN D 717 " --> pdb=" O HIS D 713 " (cutoff:3.500A) removed outlier: 4.310A pdb=" N TYR D 720 " --> pdb=" O HIS D 716 " (cutoff:3.500A) Processing helix chain 'D' and resid 727 through 741 removed outlier: 3.727A pdb=" N GLU D 733 " --> pdb=" O CYS D 729 " (cutoff:3.500A) Processing helix chain 'D' and resid 743 through 763 removed outlier: 3.594A pdb=" N ILE D 748 " --> pdb=" O LEU D 744 " (cutoff:3.500A) removed outlier: 4.057A pdb=" N ALA D 749 " --> pdb=" O ASP D 745 " (cutoff:3.500A) removed outlier: 4.026A pdb=" N ALA D 750 " --> pdb=" O HIS D 746 " (cutoff:3.500A) removed outlier: 3.612A pdb=" N HIS D 751 " --> pdb=" O ILE D 747 " (cutoff:3.500A) removed outlier: 4.294A pdb=" N GLU D 752 " --> pdb=" O ILE D 748 " (cutoff:3.500A) removed outlier: 3.913A pdb=" N VAL D 753 " --> pdb=" O ALA D 749 " (cutoff:3.500A) removed outlier: 3.874A pdb=" N SER D 760 " --> pdb=" O ASP D 756 " (cutoff:3.500A) removed outlier: 5.058A pdb=" N LEU D 763 " --> pdb=" O ILE D 759 " (cutoff:3.500A) Processing helix chain 'D' and resid 765 through 811 removed outlier: 5.203A pdb=" N ALA D 770 " --> pdb=" O SER D 766 " (cutoff:3.500A) removed outlier: 4.861A pdb=" N LEU D 771 " --> pdb=" O ASP D 767 " (cutoff:3.500A) removed outlier: 4.071A pdb=" N ALA D 777 " --> pdb=" O ASN D 773 " (cutoff:3.500A) removed outlier: 3.889A pdb=" N ILE D 783 " --> pdb=" O PHE D 779 " (cutoff:3.500A) removed outlier: 3.962A pdb=" N LEU D 785 " --> pdb=" O GLN D 781 " (cutoff:3.500A) removed outlier: 3.655A pdb=" N GLN D 786 " --> pdb=" O ILE D 782 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N ASN D 787 " --> pdb=" O ILE D 783 " (cutoff:3.500A) removed outlier: 5.184A pdb=" N ASP D 790 " --> pdb=" O GLN D 786 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N ALA D 795 " --> pdb=" O ALA D 791 " (cutoff:3.500A) removed outlier: 3.931A pdb=" N GLU D 798 " --> pdb=" O ARG D 794 " (cutoff:3.500A) removed outlier: 3.744A pdb=" N GLU D 799 " --> pdb=" O ALA D 795 " (cutoff:3.500A) removed outlier: 3.614A pdb=" N LEU D 800 " --> pdb=" O ALA D 796 " (cutoff:3.500A) Processing helix chain 'D' and resid 826 through 866 removed outlier: 3.860A pdb=" N ASN D 830 " --> pdb=" O GLU D 826 " (cutoff:3.500A) Proline residue: D 841 - end of helix removed outlier: 3.866A pdb=" N SER D 845 " --> pdb=" O PRO D 841 " (cutoff:3.500A) removed outlier: 3.574A pdb=" N GLN D 860 " --> pdb=" O GLY D 856 " (cutoff:3.500A) removed outlier: 4.872A pdb=" N THR D 866 " --> pdb=" O LEU D 862 " (cutoff:3.500A) Processing helix chain 'D' and resid 873 through 882 removed outlier: 3.881A pdb=" N PHE D 882 " --> pdb=" O PHE D 878 " (cutoff:3.500A) Processing helix chain 'E' and resid 150 through 169 removed outlier: 4.589A pdb=" N LEU E 154 " --> pdb=" O LEU E 150 " (cutoff:3.500A) removed outlier: 4.440A pdb=" N GLU E 155 " --> pdb=" O GLN E 151 " (cutoff:3.500A) removed outlier: 4.040A pdb=" N LEU E 156 " --> pdb=" O GLN E 152 " (cutoff:3.500A) removed outlier: 3.652A pdb=" N LYS E 157 " --> pdb=" O SER E 153 " (cutoff:3.500A) removed outlier: 3.773A pdb=" N ARG E 158 " --> pdb=" O LEU E 154 " (cutoff:3.500A) removed outlier: 3.588A pdb=" N LYS E 159 " --> pdb=" O GLU E 155 " (cutoff:3.500A) removed outlier: 3.568A pdb=" N MET E 160 " --> pdb=" O LEU E 156 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N LEU E 161 " --> pdb=" O LYS E 157 " (cutoff:3.500A) removed outlier: 3.805A pdb=" N LYS E 164 " --> pdb=" O MET E 160 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N ASN E 166 " --> pdb=" O ARG E 162 " (cutoff:3.500A) removed outlier: 3.732A pdb=" N LYS E 167 " --> pdb=" O ASP E 163 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N LYS E 168 " --> pdb=" O LYS E 164 " (cutoff:3.500A) removed outlier: 3.758A pdb=" N ASN E 169 " --> pdb=" O GLN E 165 " (cutoff:3.500A) Processing helix chain 'E' and resid 178 through 184 removed outlier: 4.585A pdb=" N TYR E 182 " --> pdb=" O PRO E 178 " (cutoff:3.500A) Processing helix chain 'E' and resid 210 through 227 removed outlier: 3.906A pdb=" N GLU E 214 " --> pdb=" O LEU E 210 " (cutoff:3.500A) removed outlier: 4.135A pdb=" N SER E 215 " --> pdb=" O ALA E 211 " (cutoff:3.500A) removed outlier: 3.607A pdb=" N GLU E 219 " --> pdb=" O SER E 215 " (cutoff:3.500A) removed outlier: 3.846A pdb=" N VAL E 226 " --> pdb=" O LEU E 222 " (cutoff:3.500A) Processing helix chain 'E' and resid 253 through 282 Proline residue: E 265 - end of helix removed outlier: 3.583A pdb=" N ALA E 272 " --> pdb=" O ALA E 268 " (cutoff:3.500A) removed outlier: 4.645A pdb=" N VAL E 273 " --> pdb=" O SER E 269 " (cutoff:3.500A) removed outlier: 4.294A pdb=" N ARG E 275 " --> pdb=" O SER E 271 " (cutoff:3.500A) removed outlier: 4.436A pdb=" N PHE E 276 " --> pdb=" O ALA E 272 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N SER E 281 " --> pdb=" O ILE E 277 " (cutoff:3.500A) removed outlier: 3.929A pdb=" N SER E 282 " --> pdb=" O GLU E 278 " (cutoff:3.500A) Processing helix chain 'E' and resid 286 through 317 removed outlier: 5.446A pdb=" N HIS E 290 " --> pdb=" O GLY E 286 " (cutoff:3.500A) removed outlier: 4.080A pdb=" N ALA E 291 " --> pdb=" O GLN E 287 " (cutoff:3.500A) removed outlier: 3.624A pdb=" N ALA E 293 " --> pdb=" O ASN E 289 " (cutoff:3.500A) removed outlier: 4.734A pdb=" N THR E 298 " --> pdb=" O ALA E 294 " (cutoff:3.500A) removed outlier: 4.690A pdb=" N LEU E 299 " --> pdb=" O ALA E 295 " (cutoff:3.500A) removed outlier: 4.113A pdb=" N VAL E 300 " --> pdb=" O MET E 296 " (cutoff:3.500A) removed outlier: 3.602A pdb=" N GLU E 302 " --> pdb=" O THR E 298 " (cutoff:3.500A) removed outlier: 3.719A pdb=" N HIS E 303 " --> pdb=" O LEU E 299 " (cutoff:3.500A) removed outlier: 3.835A pdb=" N VAL E 307 " --> pdb=" O HIS E 303 " (cutoff:3.500A) removed outlier: 4.265A pdb=" N GLN E 316 " --> pdb=" O GLN E 312 " (cutoff:3.500A) removed outlier: 3.988A pdb=" N GLY E 317 " --> pdb=" O LEU E 313 " (cutoff:3.500A) Processing helix chain 'E' and resid 320 through 349 removed outlier: 3.914A pdb=" N GLN E 329 " --> pdb=" O TRP E 325 " (cutoff:3.500A) Proline residue: E 330 - end of helix removed outlier: 3.509A pdb=" N ARG E 333 " --> pdb=" O GLN E 329 " (cutoff:3.500A) removed outlier: 3.785A pdb=" N ASP E 336 " --> pdb=" O MET E 332 " (cutoff:3.500A) removed outlier: 3.560A pdb=" N GLY E 348 " --> pdb=" O SER E 344 " (cutoff:3.500A) removed outlier: 4.309A pdb=" N GLU E 349 " --> pdb=" O VAL E 345 " (cutoff:3.500A) Processing helix chain 'E' and resid 352 through 367 removed outlier: 4.051A pdb=" N LEU E 356 " --> pdb=" O GLY E 352 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N SER E 357 " --> pdb=" O GLY E 353 " (cutoff:3.500A) removed outlier: 4.072A pdb=" N LEU E 359 " --> pdb=" O THR E 355 " (cutoff:3.500A) removed outlier: 4.049A pdb=" N HIS E 360 " --> pdb=" O LEU E 356 " (cutoff:3.500A) removed outlier: 4.146A pdb=" N PHE E 364 " --> pdb=" O HIS E 360 " (cutoff:3.500A) removed outlier: 5.191A pdb=" N THR E 367 " --> pdb=" O SER E 363 " (cutoff:3.500A) Processing helix chain 'E' and resid 369 through 385 removed outlier: 6.023A pdb=" N GLN E 373 " --> pdb=" O ASP E 369 " (cutoff:3.500A) removed outlier: 4.785A pdb=" N GLU E 374 " --> pdb=" O SER E 370 " (cutoff:3.500A) removed outlier: 3.532A pdb=" N LEU E 375 " --> pdb=" O GLN E 371 " (cutoff:3.500A) removed outlier: 4.095A pdb=" N CYS E 376 " --> pdb=" O ALA E 372 " (cutoff:3.500A) removed outlier: 3.622A pdb=" N LYS E 381 " --> pdb=" O LEU E 377 " (cutoff:3.500A) removed outlier: 4.207A pdb=" N ALA E 385 " --> pdb=" O LYS E 381 " (cutoff:3.500A) Processing helix chain 'E' and resid 386 through 397 removed outlier: 3.668A pdb=" N LEU E 391 " --> pdb=" O TYR E 387 " (cutoff:3.500A) removed outlier: 3.950A pdb=" N GLU E 392 " --> pdb=" O PHE E 388 " (cutoff:3.500A) removed outlier: 4.213A pdb=" N LYS E 393 " --> pdb=" O GLU E 389 " (cutoff:3.500A) removed outlier: 4.608A pdb=" N TYR E 396 " --> pdb=" O GLU E 392 " (cutoff:3.500A) Processing helix chain 'E' and resid 426 through 431 removed outlier: 4.414A pdb=" N GLN E 430 " --> pdb=" O LYS E 426 " (cutoff:3.500A) Processing helix chain 'E' and resid 440 through 445 removed outlier: 6.815A pdb=" N GLN E 444 " --> pdb=" O PRO E 440 " (cutoff:3.500A) removed outlier: 6.495A pdb=" N LYS E 445 " --> pdb=" O SER E 441 " (cutoff:3.500A) No H-bonds generated for 'chain 'E' and resid 440 through 445' Processing helix chain 'E' and resid 446 through 464 removed outlier: 3.535A pdb=" N LEU E 451 " --> pdb=" O ALA E 447 " (cutoff:3.500A) removed outlier: 3.982A pdb=" N LEU E 457 " --> pdb=" O THR E 453 " (cutoff:3.500A) removed outlier: 3.799A pdb=" N ASN E 458 " --> pdb=" O GLY E 454 " (cutoff:3.500A) removed outlier: 3.685A pdb=" N VAL E 459 " --> pdb=" O LYS E 455 " (cutoff:3.500A) removed outlier: 3.956A pdb=" N VAL E 460 " --> pdb=" O TYR E 456 " (cutoff:3.500A) removed outlier: 3.702A pdb=" N ARG E 461 " --> pdb=" O LEU E 457 " (cutoff:3.500A) removed outlier: 4.867A pdb=" N CYS E 463 " --> pdb=" O VAL E 459 " (cutoff:3.500A) Processing helix chain 'E' and resid 482 through 506 removed outlier: 3.965A pdb=" N GLU E 486 " --> pdb=" O ARG E 482 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N ILE E 488 " --> pdb=" O TYR E 484 " (cutoff:3.500A) removed outlier: 3.550A pdb=" N SER E 496 " --> pdb=" O PHE E 492 " (cutoff:3.500A) Processing helix chain 'E' and resid 508 through 520 removed outlier: 4.050A pdb=" N HIS E 512 " --> pdb=" O GLU E 508 " (cutoff:3.500A) removed outlier: 3.577A pdb=" N LEU E 513 " --> pdb=" O LEU E 509 " (cutoff:3.500A) removed outlier: 3.805A pdb=" N TYR E 519 " --> pdb=" O SER E 515 " (cutoff:3.500A) Processing helix chain 'E' and resid 524 through 536 removed outlier: 3.945A pdb=" N PHE E 528 " --> pdb=" O GLN E 524 " (cutoff:3.500A) removed outlier: 4.064A pdb=" N ASP E 533 " --> pdb=" O VAL E 529 " (cutoff:3.500A) removed outlier: 3.662A pdb=" N LEU E 534 " --> pdb=" O HIS E 530 " (cutoff:3.500A) Processing helix chain 'E' and resid 537 through 542 removed outlier: 4.529A pdb=" N LYS E 541 " --> pdb=" O GLU E 537 " (cutoff:3.500A) Proline residue: E 542 - end of helix No H-bonds generated for 'chain 'E' and resid 537 through 542' Processing helix chain 'E' and resid 547 through 563 removed outlier: 3.526A pdb=" N ARG E 560 " --> pdb=" O GLU E 556 " (cutoff:3.500A) removed outlier: 5.522A pdb=" N THR E 563 " --> pdb=" O LEU E 559 " (cutoff:3.500A) Processing helix chain 'E' and resid 581 through 586 removed outlier: 4.000A pdb=" N GLN E 585 " --> pdb=" O ASP E 581 " (cutoff:3.500A) removed outlier: 5.139A pdb=" N LEU E 586 " --> pdb=" O LEU E 582 " (cutoff:3.500A) No H-bonds generated for 'chain 'E' and resid 581 through 586' Processing helix chain 'E' and resid 626 through 631 removed outlier: 3.748A pdb=" N ASN E 631 " --> pdb=" O SER E 627 " (cutoff:3.500A) Processing helix chain 'E' and resid 632 through 663 removed outlier: 3.909A pdb=" N ARG E 637 " --> pdb=" O LYS E 633 " (cutoff:3.500A) removed outlier: 3.808A pdb=" N HIS E 644 " --> pdb=" O MET E 640 " (cutoff:3.500A) removed outlier: 3.670A pdb=" N CYS E 648 " --> pdb=" O HIS E 644 " (cutoff:3.500A) removed outlier: 3.509A pdb=" N ARG E 653 " --> pdb=" O LYS E 649 " (cutoff:3.500A) removed outlier: 3.522A pdb=" N ASN E 662 " --> pdb=" O VAL E 658 " (cutoff:3.500A) Processing helix chain 'E' and resid 677 through 699 removed outlier: 4.069A pdb=" N LEU E 682 " --> pdb=" O GLY E 678 " (cutoff:3.500A) removed outlier: 3.905A pdb=" N ASN E 692 " --> pdb=" O ASN E 688 " (cutoff:3.500A) Processing helix chain 'E' and resid 701 through 716 removed outlier: 3.524A pdb=" N HIS E 707 " --> pdb=" O GLU E 703 " (cutoff:3.500A) removed outlier: 3.534A pdb=" N ILE E 708 " --> pdb=" O PRO E 704 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N LYS E 711 " --> pdb=" O HIS E 707 " (cutoff:3.500A) removed outlier: 3.770A pdb=" N LYS E 714 " --> pdb=" O GLU E 710 " (cutoff:3.500A) removed outlier: 3.568A pdb=" N SER E 715 " --> pdb=" O LYS E 711 " (cutoff:3.500A) Processing helix chain 'E' and resid 718 through 738 removed outlier: 4.598A pdb=" N LEU E 723 " --> pdb=" O ILE E 719 " (cutoff:3.500A) removed outlier: 3.530A pdb=" N GLY E 724 " --> pdb=" O ASP E 720 " (cutoff:3.500A) removed outlier: 3.612A pdb=" N THR E 727 " --> pdb=" O LEU E 723 " (cutoff:3.500A) removed outlier: 3.515A pdb=" N CYS E 737 " --> pdb=" O CYS E 733 " (cutoff:3.500A) removed outlier: 4.946A pdb=" N MET E 738 " --> pdb=" O LEU E 734 " (cutoff:3.500A) Processing helix chain 'E' and resid 745 through 771 removed outlier: 3.746A pdb=" N SER E 749 " --> pdb=" O LEU E 745 " (cutoff:3.500A) Processing helix chain 'E' and resid 816 through 844 removed outlier: 4.443A pdb=" N ALA E 820 " --> pdb=" O SER E 816 " (cutoff:3.500A) removed outlier: 3.543A pdb=" N ILE E 842 " --> pdb=" O ALA E 838 " (cutoff:3.500A) removed outlier: 4.932A pdb=" N TYR E 843 " --> pdb=" O ARG E 839 " (cutoff:3.500A) removed outlier: 5.650A pdb=" N SER E 844 " --> pdb=" O LEU E 840 " (cutoff:3.500A) Processing helix chain 'E' and resid 853 through 861 removed outlier: 3.612A pdb=" N ARG E 858 " --> pdb=" O SER E 854 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N PHE E 861 " --> pdb=" O SER E 857 " (cutoff:3.500A) Processing helix chain 'F' and resid 246 through 260 removed outlier: 4.199A pdb=" N LEU F 250 " --> pdb=" O THR F 246 " (cutoff:3.500A) removed outlier: 3.858A pdb=" N ARG F 252 " --> pdb=" O ALA F 248 " (cutoff:3.500A) removed outlier: 4.078A pdb=" N TYR F 256 " --> pdb=" O ARG F 252 " (cutoff:3.500A) removed outlier: 3.997A pdb=" N GLN F 259 " --> pdb=" O LEU F 255 " (cutoff:3.500A) Processing helix chain 'F' and resid 288 through 315 removed outlier: 3.652A pdb=" N GLU F 296 " --> pdb=" O VAL F 292 " (cutoff:3.500A) removed outlier: 5.203A pdb=" N LEU F 297 " --> pdb=" O ARG F 293 " (cutoff:3.500A) removed outlier: 4.516A pdb=" N GLY F 298 " --> pdb=" O LEU F 294 " (cutoff:3.500A) removed outlier: 3.799A pdb=" N THR F 308 " --> pdb=" O ILE F 304 " (cutoff:3.500A) removed outlier: 3.529A pdb=" N GLN F 310 " --> pdb=" O ARG F 306 " (cutoff:3.500A) removed outlier: 3.806A pdb=" N SER F 312 " --> pdb=" O THR F 308 " (cutoff:3.500A) removed outlier: 4.576A pdb=" N LEU F 313 " --> pdb=" O ASP F 309 " (cutoff:3.500A) removed outlier: 4.791A pdb=" N ARG F 315 " --> pdb=" O ARG F 311 " (cutoff:3.500A) Processing helix chain 'F' and resid 318 through 347 removed outlier: 4.026A pdb=" N GLN F 322 " --> pdb=" O GLY F 318 " (cutoff:3.500A) removed outlier: 4.429A pdb=" N SER F 323 " --> pdb=" O LEU F 319 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N PHE F 324 " --> pdb=" O VAL F 320 " (cutoff:3.500A) removed outlier: 4.385A pdb=" N ALA F 326 " --> pdb=" O GLN F 322 " (cutoff:3.500A) removed outlier: 4.733A pdb=" N HIS F 329 " --> pdb=" O CYS F 325 " (cutoff:3.500A) removed outlier: 4.294A pdb=" N GLN F 330 " --> pdb=" O ALA F 326 " (cutoff:3.500A) removed outlier: 4.012A pdb=" N GLU F 331 " --> pdb=" O ALA F 327 " (cutoff:3.500A) removed outlier: 3.809A pdb=" N LEU F 332 " --> pdb=" O LEU F 328 " (cutoff:3.500A) removed outlier: 3.599A pdb=" N GLU F 334 " --> pdb=" O GLN F 330 " (cutoff:3.500A) removed outlier: 4.441A pdb=" N TYR F 335 " --> pdb=" O GLU F 331 " (cutoff:3.500A) removed outlier: 3.987A pdb=" N LEU F 346 " --> pdb=" O LEU F 342 " (cutoff:3.500A) removed outlier: 4.922A pdb=" N GLN F 347 " --> pdb=" O HIS F 343 " (cutoff:3.500A) Processing helix chain 'F' and resid 363 through 389 removed outlier: 5.422A pdb=" N LEU F 367 " --> pdb=" O THR F 363 " (cutoff:3.500A) removed outlier: 6.493A pdb=" N VAL F 369 " --> pdb=" O ARG F 365 " (cutoff:3.500A) removed outlier: 6.634A pdb=" N TRP F 370 " --> pdb=" O ARG F 366 " (cutoff:3.500A) removed outlier: 4.154A pdb=" N TYR F 372 " --> pdb=" O LEU F 368 " (cutoff:3.500A) removed outlier: 5.320A pdb=" N ASP F 373 " --> pdb=" O VAL F 369 " (cutoff:3.500A) Proline residue: F 374 - end of helix removed outlier: 6.053A pdb=" N LEU F 378 " --> pdb=" O PRO F 374 " (cutoff:3.500A) removed outlier: 4.146A pdb=" N LYS F 379 " --> pdb=" O LYS F 375 " (cutoff:3.500A) removed outlier: 3.550A pdb=" N ALA F 383 " --> pdb=" O LYS F 379 " (cutoff:3.500A) removed outlier: 4.170A pdb=" N VAL F 385 " --> pdb=" O LEU F 381 " (cutoff:3.500A) removed outlier: 3.839A pdb=" N ASP F 386 " --> pdb=" O ALA F 382 " (cutoff:3.500A) removed outlier: 5.694A pdb=" N GLN F 389 " --> pdb=" O VAL F 385 " (cutoff:3.500A) Processing helix chain 'F' and resid 393 through 405 removed outlier: 3.911A pdb=" N ALA F 397 " --> pdb=" O GLY F 393 " (cutoff:3.500A) removed outlier: 3.661A pdb=" N ALA F 399 " --> pdb=" O GLU F 395 " (cutoff:3.500A) removed outlier: 4.477A pdb=" N HIS F 401 " --> pdb=" O ALA F 397 " (cutoff:3.500A) removed outlier: 3.648A pdb=" N ALA F 402 " --> pdb=" O SER F 398 " (cutoff:3.500A) removed outlier: 4.870A pdb=" N TYR F 403 " --> pdb=" O ALA F 399 " (cutoff:3.500A) removed outlier: 4.196A pdb=" N THR F 404 " --> pdb=" O VAL F 400 " (cutoff:3.500A) removed outlier: 5.289A pdb=" N LYS F 405 " --> pdb=" O HIS F 401 " (cutoff:3.500A) Processing helix chain 'F' and resid 408 through 435 removed outlier: 4.090A pdb=" N HIS F 417 " --> pdb=" O SER F 413 " (cutoff:3.500A) removed outlier: 4.203A pdb=" N SER F 420 " --> pdb=" O GLN F 416 " (cutoff:3.500A) removed outlier: 3.960A pdb=" N HIS F 424 " --> pdb=" O SER F 420 " (cutoff:3.500A) Proline residue: F 425 - end of helix removed outlier: 4.044A pdb=" N LEU F 430 " --> pdb=" O VAL F 426 " (cutoff:3.500A) removed outlier: 4.490A pdb=" N TYR F 431 " --> pdb=" O LEU F 427 " (cutoff:3.500A) removed outlier: 4.645A pdb=" N ILE F 434 " --> pdb=" O LEU F 430 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N TYR F 435 " --> pdb=" O TYR F 431 " (cutoff:3.500A) Processing helix chain 'F' and resid 476 through 496 removed outlier: 3.655A pdb=" N LYS F 482 " --> pdb=" O ASP F 478 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N VAL F 483 " --> pdb=" O GLN F 479 " (cutoff:3.500A) removed outlier: 3.540A pdb=" N LEU F 484 " --> pdb=" O SER F 480 " (cutoff:3.500A) removed outlier: 3.709A pdb=" N LEU F 485 " --> pdb=" O ARG F 481 " (cutoff:3.500A) removed outlier: 3.544A pdb=" N HIS F 494 " --> pdb=" O ILE F 490 " (cutoff:3.500A) Processing helix chain 'F' and resid 528 through 552 removed outlier: 5.112A pdb=" N GLY F 532 " --> pdb=" O ASN F 528 " (cutoff:3.500A) removed outlier: 4.089A pdb=" N LYS F 533 " --> pdb=" O ALA F 529 " (cutoff:3.500A) removed outlier: 3.525A pdb=" N ASP F 535 " --> pdb=" O GLN F 531 " (cutoff:3.500A) removed outlier: 3.654A pdb=" N ALA F 536 " --> pdb=" O GLY F 532 " (cutoff:3.500A) removed outlier: 3.567A pdb=" N LYS F 551 " --> pdb=" O ASP F 547 " (cutoff:3.500A) Processing helix chain 'F' and resid 554 through 566 removed outlier: 4.096A pdb=" N ARG F 563 " --> pdb=" O MET F 559 " (cutoff:3.500A) removed outlier: 4.238A pdb=" N ARG F 564 " --> pdb=" O GLN F 560 " (cutoff:3.500A) Processing helix chain 'F' and resid 570 through 582 removed outlier: 6.041A pdb=" N ILE F 574 " --> pdb=" O GLN F 570 " (cutoff:3.500A) Processing helix chain 'F' and resid 583 through 588 Proline residue: F 588 - end of helix Processing helix chain 'F' and resid 593 through 609 removed outlier: 4.048A pdb=" N LEU F 597 " --> pdb=" O TYR F 593 " (cutoff:3.500A) removed outlier: 3.520A pdb=" N THR F 603 " --> pdb=" O GLY F 599 " (cutoff:3.500A) removed outlier: 4.878A pdb=" N ASN F 609 " --> pdb=" O VAL F 605 " (cutoff:3.500A) Processing helix chain 'F' and resid 614 through 621 removed outlier: 3.542A pdb=" N LEU F 618 " --> pdb=" O SER F 614 " (cutoff:3.500A) removed outlier: 3.750A pdb=" N LEU F 621 " --> pdb=" O ILE F 617 " (cutoff:3.500A) Processing helix chain 'F' and resid 633 through 638 removed outlier: 3.805A pdb=" N VAL F 637 " --> pdb=" O THR F 633 " (cutoff:3.500A) removed outlier: 3.673A pdb=" N PHE F 638 " --> pdb=" O GLY F 634 " (cutoff:3.500A) No H-bonds generated for 'chain 'F' and resid 633 through 638' Processing helix chain 'F' and resid 646 through 653 removed outlier: 4.727A pdb=" N THR F 650 " --> pdb=" O GLY F 646 " (cutoff:3.500A) removed outlier: 4.539A pdb=" N VAL F 651 " --> pdb=" O PRO F 647 " (cutoff:3.500A) Processing helix chain 'F' and resid 654 through 692 removed outlier: 3.638A pdb=" N ARG F 669 " --> pdb=" O ASN F 665 " (cutoff:3.500A) removed outlier: 5.089A pdb=" N GLU F 674 " --> pdb=" O ALA F 670 " (cutoff:3.500A) removed outlier: 3.541A pdb=" N ASP F 679 " --> pdb=" O TYR F 675 " (cutoff:3.500A) removed outlier: 3.743A pdb=" N LYS F 689 " --> pdb=" O MET F 685 " (cutoff:3.500A) removed outlier: 5.631A pdb=" N LEU F 690 " --> pdb=" O CYS F 686 " (cutoff:3.500A) removed outlier: 3.766A pdb=" N LEU F 691 " --> pdb=" O ASN F 687 " (cutoff:3.500A) removed outlier: 3.921A pdb=" N ARG F 692 " --> pdb=" O ALA F 688 " (cutoff:3.500A) Processing helix chain 'F' and resid 699 through 725 removed outlier: 3.675A pdb=" N LEU F 707 " --> pdb=" O GLN F 703 " (cutoff:3.500A) removed outlier: 3.557A pdb=" N GLN F 717 " --> pdb=" O HIS F 713 " (cutoff:3.500A) Processing helix chain 'F' and resid 727 through 741 removed outlier: 4.612A pdb=" N TRP F 731 " --> pdb=" O LEU F 727 " (cutoff:3.500A) removed outlier: 3.992A pdb=" N ALA F 741 " --> pdb=" O LYS F 737 " (cutoff:3.500A) Processing helix chain 'F' and resid 743 through 763 removed outlier: 3.773A pdb=" N ILE F 747 " --> pdb=" O ASP F 743 " (cutoff:3.500A) removed outlier: 3.535A pdb=" N ALA F 749 " --> pdb=" O ASP F 745 " (cutoff:3.500A) removed outlier: 3.586A pdb=" N ALA F 750 " --> pdb=" O HIS F 746 " (cutoff:3.500A) removed outlier: 4.245A pdb=" N VAL F 753 " --> pdb=" O ALA F 749 " (cutoff:3.500A) removed outlier: 3.526A pdb=" N ILE F 759 " --> pdb=" O LEU F 755 " (cutoff:3.500A) removed outlier: 4.571A pdb=" N SER F 760 " --> pdb=" O ASP F 756 " (cutoff:3.500A) removed outlier: 4.644A pdb=" N LEU F 763 " --> pdb=" O ILE F 759 " (cutoff:3.500A) Processing helix chain 'F' and resid 765 through 811 removed outlier: 5.430A pdb=" N ALA F 770 " --> pdb=" O SER F 766 " (cutoff:3.500A) removed outlier: 5.208A pdb=" N LEU F 771 " --> pdb=" O ASP F 767 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N ALA F 777 " --> pdb=" O ASN F 773 " (cutoff:3.500A) removed outlier: 3.677A pdb=" N VAL F 778 " --> pdb=" O GLN F 774 " (cutoff:3.500A) removed outlier: 4.562A pdb=" N ILE F 783 " --> pdb=" O PHE F 779 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ASP F 790 " --> pdb=" O GLN F 786 " (cutoff:3.500A) removed outlier: 3.625A pdb=" N ALA F 791 " --> pdb=" O ASN F 787 " (cutoff:3.500A) removed outlier: 3.795A pdb=" N ILE F 792 " --> pdb=" O ALA F 788 " (cutoff:3.500A) removed outlier: 3.763A pdb=" N ALA F 795 " --> pdb=" O ALA F 791 " (cutoff:3.500A) removed outlier: 4.057A pdb=" N GLU F 798 " --> pdb=" O ARG F 794 " (cutoff:3.500A) removed outlier: 3.726A pdb=" N GLU F 799 " --> pdb=" O ALA F 795 " (cutoff:3.500A) removed outlier: 3.710A pdb=" N LEU F 800 " --> pdb=" O ALA F 796 " (cutoff:3.500A) Processing helix chain 'F' and resid 827 through 866 removed outlier: 3.567A pdb=" N LYS F 831 " --> pdb=" O GLU F 827 " (cutoff:3.500A) Proline residue: F 841 - end of helix removed outlier: 3.633A pdb=" N GLN F 860 " --> pdb=" O GLY F 856 " (cutoff:3.500A) removed outlier: 4.642A pdb=" N THR F 866 " --> pdb=" O LEU F 862 " (cutoff:3.500A) Processing helix chain 'F' and resid 872 through 882 removed outlier: 4.440A pdb=" N LEU F 876 " --> pdb=" O SER F 872 " (cutoff:3.500A) removed outlier: 3.930A pdb=" N ARG F 879 " --> pdb=" O PHE F 875 " (cutoff:3.500A) Processing helix chain 'F' and resid 884 through 889 removed outlier: 4.249A pdb=" N ALA F 888 " --> pdb=" O GLU F 884 " (cutoff:3.500A) removed outlier: 5.104A pdb=" N ARG F 889 " --> pdb=" O HIS F 885 " (cutoff:3.500A) No H-bonds generated for 'chain 'F' and resid 884 through 889' Processing helix chain 'G' and resid 150 through 169 removed outlier: 4.112A pdb=" N LEU G 154 " --> pdb=" O LEU G 150 " (cutoff:3.500A) removed outlier: 4.379A pdb=" N GLU G 155 " --> pdb=" O GLN G 151 " (cutoff:3.500A) removed outlier: 4.144A pdb=" N LEU G 156 " --> pdb=" O GLN G 152 " (cutoff:3.500A) removed outlier: 3.680A pdb=" N ARG G 158 " --> pdb=" O LEU G 154 " (cutoff:3.500A) removed outlier: 3.529A pdb=" N ASP G 163 " --> pdb=" O LYS G 159 " (cutoff:3.500A) removed outlier: 3.734A pdb=" N LYS G 164 " --> pdb=" O MET G 160 " (cutoff:3.500A) removed outlier: 4.227A pdb=" N ASN G 169 " --> pdb=" O GLN G 165 " (cutoff:3.500A) Processing helix chain 'G' and resid 178 through 184 removed outlier: 4.464A pdb=" N TYR G 182 " --> pdb=" O PRO G 178 " (cutoff:3.500A) Processing helix chain 'G' and resid 204 through 209 removed outlier: 4.329A pdb=" N LEU G 208 " --> pdb=" O PRO G 204 " (cutoff:3.500A) Proline residue: G 209 - end of helix No H-bonds generated for 'chain 'G' and resid 204 through 209' Processing helix chain 'G' and resid 210 through 227 removed outlier: 4.432A pdb=" N SER G 215 " --> pdb=" O ALA G 211 " (cutoff:3.500A) removed outlier: 4.329A pdb=" N VAL G 226 " --> pdb=" O LEU G 222 " (cutoff:3.500A) removed outlier: 3.598A pdb=" N GLY G 227 " --> pdb=" O TYR G 223 " (cutoff:3.500A) Processing helix chain 'G' and resid 253 through 281 Proline residue: G 265 - end of helix removed outlier: 3.647A pdb=" N ALA G 268 " --> pdb=" O LEU G 264 " (cutoff:3.500A) removed outlier: 3.501A pdb=" N TYR G 270 " --> pdb=" O VAL G 266 " (cutoff:3.500A) removed outlier: 3.599A pdb=" N ALA G 272 " --> pdb=" O ALA G 268 " (cutoff:3.500A) removed outlier: 4.662A pdb=" N VAL G 273 " --> pdb=" O SER G 269 " (cutoff:3.500A) removed outlier: 3.583A pdb=" N PHE G 276 " --> pdb=" O ALA G 272 " (cutoff:3.500A) removed outlier: 3.610A pdb=" N ILE G 277 " --> pdb=" O VAL G 273 " (cutoff:3.500A) removed outlier: 4.300A pdb=" N SER G 281 " --> pdb=" O ILE G 277 " (cutoff:3.500A) Processing helix chain 'G' and resid 286 through 317 removed outlier: 3.645A pdb=" N HIS G 290 " --> pdb=" O GLY G 286 " (cutoff:3.500A) removed outlier: 3.805A pdb=" N ALA G 291 " --> pdb=" O GLN G 287 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N ALA G 293 " --> pdb=" O ASN G 289 " (cutoff:3.500A) removed outlier: 4.547A pdb=" N THR G 298 " --> pdb=" O ALA G 294 " (cutoff:3.500A) removed outlier: 4.161A pdb=" N LEU G 299 " --> pdb=" O ALA G 295 " (cutoff:3.500A) removed outlier: 3.694A pdb=" N VAL G 300 " --> pdb=" O MET G 296 " (cutoff:3.500A) removed outlier: 3.648A pdb=" N GLY G 317 " --> pdb=" O LEU G 313 " (cutoff:3.500A) Processing helix chain 'G' and resid 320 through 349 removed outlier: 3.656A pdb=" N PHE G 326 " --> pdb=" O GLN G 322 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N GLN G 329 " --> pdb=" O TRP G 325 " (cutoff:3.500A) Proline residue: G 330 - end of helix removed outlier: 3.542A pdb=" N ARG G 333 " --> pdb=" O GLN G 329 " (cutoff:3.500A) removed outlier: 3.732A pdb=" N THR G 334 " --> pdb=" O PRO G 330 " (cutoff:3.500A) removed outlier: 3.915A pdb=" N GLU G 349 " --> pdb=" O VAL G 345 " (cutoff:3.500A) Processing helix chain 'G' and resid 352 through 367 removed outlier: 4.603A pdb=" N LEU G 356 " --> pdb=" O GLY G 352 " (cutoff:3.500A) removed outlier: 3.966A pdb=" N LEU G 358 " --> pdb=" O SER G 354 " (cutoff:3.500A) removed outlier: 4.879A pdb=" N LEU G 359 " --> pdb=" O THR G 355 " (cutoff:3.500A) removed outlier: 3.713A pdb=" N HIS G 360 " --> pdb=" O LEU G 356 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N SER G 363 " --> pdb=" O LEU G 359 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N PHE G 364 " --> pdb=" O HIS G 360 " (cutoff:3.500A) removed outlier: 3.594A pdb=" N TYR G 366 " --> pdb=" O ARG G 362 " (cutoff:3.500A) removed outlier: 4.570A pdb=" N THR G 367 " --> pdb=" O SER G 363 " (cutoff:3.500A) Processing helix chain 'G' and resid 369 through 397 removed outlier: 5.969A pdb=" N GLN G 373 " --> pdb=" O ASP G 369 " (cutoff:3.500A) removed outlier: 4.161A pdb=" N GLU G 374 " --> pdb=" O SER G 370 " (cutoff:3.500A) removed outlier: 4.610A pdb=" N LEU G 375 " --> pdb=" O GLN G 371 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA G 385 " --> pdb=" O LYS G 381 " (cutoff:3.500A) Proline residue: G 386 - end of helix removed outlier: 3.526A pdb=" N GLU G 389 " --> pdb=" O ALA G 385 " (cutoff:3.500A) Processing helix chain 'G' and resid 414 through 419 removed outlier: 3.702A pdb=" N ILE G 419 " --> pdb=" O ARG G 415 " (cutoff:3.500A) Processing helix chain 'G' and resid 425 through 430 removed outlier: 3.519A pdb=" N ASP G 429 " --> pdb=" O ASP G 425 " (cutoff:3.500A) Processing helix chain 'G' and resid 440 through 445 removed outlier: 6.327A pdb=" N GLN G 444 " --> pdb=" O PRO G 440 " (cutoff:3.500A) removed outlier: 6.334A pdb=" N LYS G 445 " --> pdb=" O SER G 441 " (cutoff:3.500A) No H-bonds generated for 'chain 'G' and resid 440 through 445' Processing helix chain 'G' and resid 446 through 464 removed outlier: 3.703A pdb=" N LEU G 451 " --> pdb=" O ALA G 447 " (cutoff:3.500A) removed outlier: 4.215A pdb=" N LEU G 457 " --> pdb=" O THR G 453 " (cutoff:3.500A) removed outlier: 3.582A pdb=" N ASN G 458 " --> pdb=" O GLY G 454 " (cutoff:3.500A) removed outlier: 3.585A pdb=" N VAL G 459 " --> pdb=" O LYS G 455 " (cutoff:3.500A) removed outlier: 4.054A pdb=" N VAL G 460 " --> pdb=" O TYR G 456 " (cutoff:3.500A) removed outlier: 4.663A pdb=" N CYS G 463 " --> pdb=" O VAL G 459 " (cutoff:3.500A) Processing helix chain 'G' and resid 482 through 506 removed outlier: 4.771A pdb=" N GLU G 486 " --> pdb=" O ARG G 482 " (cutoff:3.500A) removed outlier: 3.525A pdb=" N GLN G 487 " --> pdb=" O ALA G 483 " (cutoff:3.500A) removed outlier: 3.710A pdb=" N TYR G 494 " --> pdb=" O LYS G 490 " (cutoff:3.500A) Processing helix chain 'G' and resid 508 through 520 removed outlier: 3.926A pdb=" N HIS G 512 " --> pdb=" O GLU G 508 " (cutoff:3.500A) removed outlier: 4.621A pdb=" N TYR G 519 " --> pdb=" O SER G 515 " (cutoff:3.500A) Processing helix chain 'G' and resid 524 through 540 removed outlier: 4.464A pdb=" N PHE G 528 " --> pdb=" O GLN G 524 " (cutoff:3.500A) removed outlier: 4.017A pdb=" N ASP G 533 " --> pdb=" O VAL G 529 " (cutoff:3.500A) removed outlier: 4.987A pdb=" N GLU G 537 " --> pdb=" O ASP G 533 " (cutoff:3.500A) removed outlier: 5.518A pdb=" N GLU G 538 " --> pdb=" O LEU G 534 " (cutoff:3.500A) Processing helix chain 'G' and resid 547 through 563 removed outlier: 3.576A pdb=" N LEU G 551 " --> pdb=" O THR G 547 " (cutoff:3.500A) removed outlier: 5.039A pdb=" N THR G 563 " --> pdb=" O LEU G 559 " (cutoff:3.500A) Processing helix chain 'G' and resid 626 through 631 removed outlier: 3.600A pdb=" N ILE G 630 " --> pdb=" O LEU G 626 " (cutoff:3.500A) removed outlier: 4.131A pdb=" N ASN G 631 " --> pdb=" O SER G 627 " (cutoff:3.500A) No H-bonds generated for 'chain 'G' and resid 626 through 631' Processing helix chain 'G' and resid 632 through 663 removed outlier: 3.799A pdb=" N HIS G 644 " --> pdb=" O MET G 640 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N TYR G 647 " --> pdb=" O ARG G 643 " (cutoff:3.500A) removed outlier: 3.909A pdb=" N CYS G 648 " --> pdb=" O HIS G 644 " (cutoff:3.500A) removed outlier: 3.638A pdb=" N GLU G 652 " --> pdb=" O CYS G 648 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ARG G 653 " --> pdb=" O LYS G 649 " (cutoff:3.500A) removed outlier: 3.763A pdb=" N ILE G 660 " --> pdb=" O CYS G 656 " (cutoff:3.500A) removed outlier: 4.004A pdb=" N SER G 661 " --> pdb=" O SER G 657 " (cutoff:3.500A) removed outlier: 4.639A pdb=" N ASN G 662 " --> pdb=" O VAL G 658 " (cutoff:3.500A) Processing helix chain 'G' and resid 677 through 700 removed outlier: 3.875A pdb=" N THR G 681 " --> pdb=" O ALA G 677 " (cutoff:3.500A) removed outlier: 3.882A pdb=" N LEU G 682 " --> pdb=" O GLY G 678 " (cutoff:3.500A) Processing helix chain 'G' and resid 702 through 716 removed outlier: 3.508A pdb=" N ILE G 708 " --> pdb=" O PRO G 704 " (cutoff:3.500A) removed outlier: 3.683A pdb=" N LYS G 711 " --> pdb=" O HIS G 707 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N LYS G 714 " --> pdb=" O GLU G 710 " (cutoff:3.500A) Processing helix chain 'G' and resid 718 through 738 removed outlier: 3.787A pdb=" N LEU G 723 " --> pdb=" O ILE G 719 " (cutoff:3.500A) removed outlier: 4.580A pdb=" N MET G 738 " --> pdb=" O LEU G 734 " (cutoff:3.500A) Processing helix chain 'G' and resid 745 through 770 removed outlier: 3.575A pdb=" N SER G 749 " --> pdb=" O LEU G 745 " (cutoff:3.500A) removed outlier: 3.569A pdb=" N GLN G 763 " --> pdb=" O THR G 759 " (cutoff:3.500A) Processing helix chain 'G' and resid 814 through 843 removed outlier: 3.986A pdb=" N PHE G 818 " --> pdb=" O LEU G 814 " (cutoff:3.500A) removed outlier: 3.964A pdb=" N ALA G 820 " --> pdb=" O SER G 816 " (cutoff:3.500A) removed outlier: 5.003A pdb=" N THR G 821 " --> pdb=" O GLY G 817 " (cutoff:3.500A) removed outlier: 5.025A pdb=" N TYR G 843 " --> pdb=" O ARG G 839 " (cutoff:3.500A) Processing helix chain 'G' and resid 853 through 861 removed outlier: 3.595A pdb=" N ASP G 860 " --> pdb=" O ILE G 856 " (cutoff:3.500A) removed outlier: 3.798A pdb=" N PHE G 861 " --> pdb=" O SER G 857 " (cutoff:3.500A) Processing helix chain 'M' and resid 150 through 169 removed outlier: 4.111A pdb=" N LEU M 154 " --> pdb=" O LEU M 150 " (cutoff:3.500A) removed outlier: 4.379A pdb=" N GLU M 155 " --> pdb=" O GLN M 151 " (cutoff:3.500A) removed outlier: 4.143A pdb=" N LEU M 156 " --> pdb=" O GLN M 152 " (cutoff:3.500A) removed outlier: 3.680A pdb=" N ARG M 158 " --> pdb=" O LEU M 154 " (cutoff:3.500A) removed outlier: 3.530A pdb=" N ASP M 163 " --> pdb=" O LYS M 159 " (cutoff:3.500A) removed outlier: 3.734A pdb=" N LYS M 164 " --> pdb=" O MET M 160 " (cutoff:3.500A) removed outlier: 4.227A pdb=" N ASN M 169 " --> pdb=" O GLN M 165 " (cutoff:3.500A) Processing helix chain 'M' and resid 178 through 184 removed outlier: 4.464A pdb=" N TYR M 182 " --> pdb=" O PRO M 178 " (cutoff:3.500A) Processing helix chain 'M' and resid 204 through 209 removed outlier: 4.329A pdb=" N LEU M 208 " --> pdb=" O PRO M 204 " (cutoff:3.500A) Proline residue: M 209 - end of helix No H-bonds generated for 'chain 'M' and resid 204 through 209' Processing helix chain 'M' and resid 210 through 227 removed outlier: 4.433A pdb=" N SER M 215 " --> pdb=" O ALA M 211 " (cutoff:3.500A) removed outlier: 4.330A pdb=" N VAL M 226 " --> pdb=" O LEU M 222 " (cutoff:3.500A) removed outlier: 3.599A pdb=" N GLY M 227 " --> pdb=" O TYR M 223 " (cutoff:3.500A) Processing helix chain 'M' and resid 253 through 281 removed outlier: 3.713A pdb=" N LEU M 259 " --> pdb=" O SER M 255 " (cutoff:3.500A) Proline residue: M 265 - end of helix removed outlier: 3.647A pdb=" N ALA M 268 " --> pdb=" O LEU M 264 " (cutoff:3.500A) removed outlier: 3.501A pdb=" N TYR M 270 " --> pdb=" O VAL M 266 " (cutoff:3.500A) removed outlier: 3.598A pdb=" N ALA M 272 " --> pdb=" O ALA M 268 " (cutoff:3.500A) removed outlier: 4.661A pdb=" N VAL M 273 " --> pdb=" O SER M 269 " (cutoff:3.500A) removed outlier: 3.583A pdb=" N PHE M 276 " --> pdb=" O ALA M 272 " (cutoff:3.500A) removed outlier: 3.611A pdb=" N ILE M 277 " --> pdb=" O VAL M 273 " (cutoff:3.500A) removed outlier: 4.301A pdb=" N SER M 281 " --> pdb=" O ILE M 277 " (cutoff:3.500A) Processing helix chain 'M' and resid 286 through 317 removed outlier: 3.645A pdb=" N HIS M 290 " --> pdb=" O GLY M 286 " (cutoff:3.500A) removed outlier: 3.805A pdb=" N ALA M 291 " --> pdb=" O GLN M 287 " (cutoff:3.500A) removed outlier: 3.551A pdb=" N ALA M 293 " --> pdb=" O ASN M 289 " (cutoff:3.500A) removed outlier: 4.548A pdb=" N THR M 298 " --> pdb=" O ALA M 294 " (cutoff:3.500A) removed outlier: 4.162A pdb=" N LEU M 299 " --> pdb=" O ALA M 295 " (cutoff:3.500A) removed outlier: 3.662A pdb=" N VAL M 300 " --> pdb=" O MET M 296 " (cutoff:3.500A) removed outlier: 3.544A pdb=" N GLN M 309 " --> pdb=" O ILE M 305 " (cutoff:3.500A) removed outlier: 3.648A pdb=" N GLY M 317 " --> pdb=" O LEU M 313 " (cutoff:3.500A) Processing helix chain 'M' and resid 320 through 349 removed outlier: 3.655A pdb=" N PHE M 326 " --> pdb=" O GLN M 322 " (cutoff:3.500A) removed outlier: 3.698A pdb=" N GLN M 329 " --> pdb=" O TRP M 325 " (cutoff:3.500A) Proline residue: M 330 - end of helix removed outlier: 3.542A pdb=" N ARG M 333 " --> pdb=" O GLN M 329 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N THR M 334 " --> pdb=" O PRO M 330 " (cutoff:3.500A) removed outlier: 3.915A pdb=" N GLU M 349 " --> pdb=" O VAL M 345 " (cutoff:3.500A) Processing helix chain 'M' and resid 352 through 367 removed outlier: 4.602A pdb=" N LEU M 356 " --> pdb=" O GLY M 352 " (cutoff:3.500A) removed outlier: 3.965A pdb=" N LEU M 358 " --> pdb=" O SER M 354 " (cutoff:3.500A) removed outlier: 4.879A pdb=" N LEU M 359 " --> pdb=" O THR M 355 " (cutoff:3.500A) removed outlier: 3.712A pdb=" N HIS M 360 " --> pdb=" O LEU M 356 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N SER M 363 " --> pdb=" O LEU M 359 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N PHE M 364 " --> pdb=" O HIS M 360 " (cutoff:3.500A) removed outlier: 3.593A pdb=" N TYR M 366 " --> pdb=" O ARG M 362 " (cutoff:3.500A) removed outlier: 4.570A pdb=" N THR M 367 " --> pdb=" O SER M 363 " (cutoff:3.500A) Processing helix chain 'M' and resid 369 through 397 removed outlier: 5.969A pdb=" N GLN M 373 " --> pdb=" O ASP M 369 " (cutoff:3.500A) removed outlier: 4.160A pdb=" N GLU M 374 " --> pdb=" O SER M 370 " (cutoff:3.500A) removed outlier: 4.610A pdb=" N LEU M 375 " --> pdb=" O GLN M 371 " (cutoff:3.500A) removed outlier: 3.683A pdb=" N ALA M 385 " --> pdb=" O LYS M 381 " (cutoff:3.500A) Proline residue: M 386 - end of helix removed outlier: 3.527A pdb=" N GLU M 389 " --> pdb=" O ALA M 385 " (cutoff:3.500A) Processing helix chain 'M' and resid 414 through 419 removed outlier: 3.702A pdb=" N ILE M 419 " --> pdb=" O ARG M 415 " (cutoff:3.500A) Processing helix chain 'M' and resid 425 through 430 removed outlier: 3.519A pdb=" N ASP M 429 " --> pdb=" O ASP M 425 " (cutoff:3.500A) Processing helix chain 'M' and resid 440 through 445 removed outlier: 6.327A pdb=" N GLN M 444 " --> pdb=" O PRO M 440 " (cutoff:3.500A) removed outlier: 6.334A pdb=" N LYS M 445 " --> pdb=" O SER M 441 " (cutoff:3.500A) No H-bonds generated for 'chain 'M' and resid 440 through 445' Processing helix chain 'M' and resid 446 through 464 removed outlier: 3.703A pdb=" N LEU M 451 " --> pdb=" O ALA M 447 " (cutoff:3.500A) removed outlier: 4.213A pdb=" N LEU M 457 " --> pdb=" O THR M 453 " (cutoff:3.500A) removed outlier: 3.583A pdb=" N ASN M 458 " --> pdb=" O GLY M 454 " (cutoff:3.500A) removed outlier: 3.586A pdb=" N VAL M 459 " --> pdb=" O LYS M 455 " (cutoff:3.500A) removed outlier: 4.054A pdb=" N VAL M 460 " --> pdb=" O TYR M 456 " (cutoff:3.500A) removed outlier: 4.664A pdb=" N CYS M 463 " --> pdb=" O VAL M 459 " (cutoff:3.500A) Processing helix chain 'M' and resid 482 through 506 removed outlier: 4.770A pdb=" N GLU M 486 " --> pdb=" O ARG M 482 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N GLN M 487 " --> pdb=" O ALA M 483 " (cutoff:3.500A) removed outlier: 3.709A pdb=" N TYR M 494 " --> pdb=" O LYS M 490 " (cutoff:3.500A) Processing helix chain 'M' and resid 508 through 520 removed outlier: 3.924A pdb=" N HIS M 512 " --> pdb=" O GLU M 508 " (cutoff:3.500A) removed outlier: 4.620A pdb=" N TYR M 519 " --> pdb=" O SER M 515 " (cutoff:3.500A) Processing helix chain 'M' and resid 524 through 540 removed outlier: 4.464A pdb=" N PHE M 528 " --> pdb=" O GLN M 524 " (cutoff:3.500A) removed outlier: 4.017A pdb=" N ASP M 533 " --> pdb=" O VAL M 529 " (cutoff:3.500A) removed outlier: 4.988A pdb=" N GLU M 537 " --> pdb=" O ASP M 533 " (cutoff:3.500A) removed outlier: 5.519A pdb=" N GLU M 538 " --> pdb=" O LEU M 534 " (cutoff:3.500A) Processing helix chain 'M' and resid 547 through 563 removed outlier: 3.705A pdb=" N LEU M 551 " --> pdb=" O THR M 547 " (cutoff:3.500A) removed outlier: 5.039A pdb=" N THR M 563 " --> pdb=" O LEU M 559 " (cutoff:3.500A) Processing helix chain 'M' and resid 626 through 631 removed outlier: 3.599A pdb=" N ILE M 630 " --> pdb=" O LEU M 626 " (cutoff:3.500A) removed outlier: 4.131A pdb=" N ASN M 631 " --> pdb=" O SER M 627 " (cutoff:3.500A) No H-bonds generated for 'chain 'M' and resid 626 through 631' Processing helix chain 'M' and resid 632 through 663 removed outlier: 3.800A pdb=" N HIS M 644 " --> pdb=" O MET M 640 " (cutoff:3.500A) removed outlier: 3.726A pdb=" N TYR M 647 " --> pdb=" O ARG M 643 " (cutoff:3.500A) removed outlier: 3.908A pdb=" N CYS M 648 " --> pdb=" O HIS M 644 " (cutoff:3.500A) removed outlier: 3.640A pdb=" N GLU M 652 " --> pdb=" O CYS M 648 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ARG M 653 " --> pdb=" O LYS M 649 " (cutoff:3.500A) removed outlier: 3.762A pdb=" N ILE M 660 " --> pdb=" O CYS M 656 " (cutoff:3.500A) removed outlier: 4.004A pdb=" N SER M 661 " --> pdb=" O SER M 657 " (cutoff:3.500A) removed outlier: 4.641A pdb=" N ASN M 662 " --> pdb=" O VAL M 658 " (cutoff:3.500A) Processing helix chain 'M' and resid 677 through 700 removed outlier: 3.875A pdb=" N THR M 681 " --> pdb=" O ALA M 677 " (cutoff:3.500A) removed outlier: 3.883A pdb=" N LEU M 682 " --> pdb=" O GLY M 678 " (cutoff:3.500A) Processing helix chain 'M' and resid 702 through 716 removed outlier: 3.508A pdb=" N ILE M 708 " --> pdb=" O PRO M 704 " (cutoff:3.500A) removed outlier: 3.683A pdb=" N LYS M 711 " --> pdb=" O HIS M 707 " (cutoff:3.500A) removed outlier: 3.994A pdb=" N LYS M 714 " --> pdb=" O GLU M 710 " (cutoff:3.500A) Processing helix chain 'M' and resid 718 through 738 removed outlier: 3.787A pdb=" N LEU M 723 " --> pdb=" O ILE M 719 " (cutoff:3.500A) removed outlier: 4.580A pdb=" N MET M 738 " --> pdb=" O LEU M 734 " (cutoff:3.500A) Processing helix chain 'M' and resid 745 through 770 removed outlier: 3.575A pdb=" N SER M 749 " --> pdb=" O LEU M 745 " (cutoff:3.500A) removed outlier: 4.607A pdb=" N LYS M 770 " --> pdb=" O THR M 766 " (cutoff:3.500A) Processing helix chain 'M' and resid 814 through 843 removed outlier: 4.040A pdb=" N PHE M 818 " --> pdb=" O LEU M 814 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N GLU M 819 " --> pdb=" O VAL M 815 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N LYS M 824 " --> pdb=" O ALA M 820 " (cutoff:3.500A) removed outlier: 3.892A pdb=" N LEU M 836 " --> pdb=" O HIS M 832 " (cutoff:3.500A) removed outlier: 5.025A pdb=" N TYR M 843 " --> pdb=" O ARG M 839 " (cutoff:3.500A) Processing helix chain 'M' and resid 853 through 861 removed outlier: 3.595A pdb=" N ASP M 860 " --> pdb=" O ILE M 856 " (cutoff:3.500A) removed outlier: 3.799A pdb=" N PHE M 861 " --> pdb=" O SER M 857 " (cutoff:3.500A) Processing helix chain 'H' and resid 246 through 259 removed outlier: 3.653A pdb=" N LEU H 250 " --> pdb=" O THR H 246 " (cutoff:3.500A) removed outlier: 3.501A pdb=" N LEU H 255 " --> pdb=" O VAL H 251 " (cutoff:3.500A) removed outlier: 4.416A pdb=" N TYR H 256 " --> pdb=" O ARG H 252 " (cutoff:3.500A) removed outlier: 3.621A pdb=" N VAL H 257 " --> pdb=" O ASP H 253 " (cutoff:3.500A) removed outlier: 4.946A pdb=" N GLN H 259 " --> pdb=" O LEU H 255 " (cutoff:3.500A) Processing helix chain 'H' and resid 285 through 315 removed outlier: 3.739A pdb=" N VAL H 292 " --> pdb=" O ARG H 288 " (cutoff:3.500A) removed outlier: 4.020A pdb=" N ARG H 293 " --> pdb=" O ASP H 289 " (cutoff:3.500A) removed outlier: 3.588A pdb=" N LEU H 294 " --> pdb=" O THR H 290 " (cutoff:3.500A) removed outlier: 4.317A pdb=" N LEU H 297 " --> pdb=" O ARG H 293 " (cutoff:3.500A) removed outlier: 4.635A pdb=" N GLY H 298 " --> pdb=" O LEU H 294 " (cutoff:3.500A) removed outlier: 3.541A pdb=" N TRP H 299 " --> pdb=" O SER H 295 " (cutoff:3.500A) removed outlier: 3.751A pdb=" N GLN H 310 " --> pdb=" O ARG H 306 " (cutoff:3.500A) removed outlier: 3.863A pdb=" N SER H 312 " --> pdb=" O THR H 308 " (cutoff:3.500A) removed outlier: 4.080A pdb=" N LEU H 313 " --> pdb=" O ASP H 309 " (cutoff:3.500A) removed outlier: 3.778A pdb=" N ASP H 314 " --> pdb=" O GLN H 310 " (cutoff:3.500A) removed outlier: 5.753A pdb=" N ARG H 315 " --> pdb=" O ARG H 311 " (cutoff:3.500A) Processing helix chain 'H' and resid 318 through 347 removed outlier: 3.644A pdb=" N SER H 323 " --> pdb=" O LEU H 319 " (cutoff:3.500A) removed outlier: 6.347A pdb=" N PHE H 324 " --> pdb=" O VAL H 320 " (cutoff:3.500A) removed outlier: 3.705A pdb=" N GLU H 334 " --> pdb=" O GLN H 330 " (cutoff:3.500A) removed outlier: 3.581A pdb=" N TYR H 335 " --> pdb=" O GLU H 331 " (cutoff:3.500A) removed outlier: 3.522A pdb=" N ARG H 337 " --> pdb=" O ARG H 333 " (cutoff:3.500A) removed outlier: 3.549A pdb=" N LEU H 338 " --> pdb=" O GLU H 334 " (cutoff:3.500A) removed outlier: 3.630A pdb=" N VAL H 341 " --> pdb=" O ARG H 337 " (cutoff:3.500A) removed outlier: 4.812A pdb=" N GLN H 347 " --> pdb=" O HIS H 343 " (cutoff:3.500A) Processing helix chain 'H' and resid 363 through 389 removed outlier: 4.973A pdb=" N LEU H 367 " --> pdb=" O THR H 363 " (cutoff:3.500A) removed outlier: 5.374A pdb=" N VAL H 369 " --> pdb=" O ARG H 365 " (cutoff:3.500A) removed outlier: 6.599A pdb=" N TRP H 370 " --> pdb=" O ARG H 366 " (cutoff:3.500A) removed outlier: 5.042A pdb=" N ASP H 373 " --> pdb=" O VAL H 369 " (cutoff:3.500A) Proline residue: H 374 - end of helix removed outlier: 3.891A pdb=" N ARG H 377 " --> pdb=" O ASP H 373 " (cutoff:3.500A) removed outlier: 3.610A pdb=" N THR H 380 " --> pdb=" O ILE H 376 " (cutoff:3.500A) removed outlier: 4.127A pdb=" N LEU H 381 " --> pdb=" O ARG H 377 " (cutoff:3.500A) removed outlier: 4.192A pdb=" N ASP H 386 " --> pdb=" O ALA H 382 " (cutoff:3.500A) Processing helix chain 'H' and resid 393 through 405 removed outlier: 4.158A pdb=" N TYR H 403 " --> pdb=" O ALA H 399 " (cutoff:3.500A) removed outlier: 3.529A pdb=" N THR H 404 " --> pdb=" O VAL H 400 " (cutoff:3.500A) removed outlier: 4.662A pdb=" N LYS H 405 " --> pdb=" O HIS H 401 " (cutoff:3.500A) Processing helix chain 'H' and resid 410 through 427 removed outlier: 3.525A pdb=" N GLN H 416 " --> pdb=" O ARG H 412 " (cutoff:3.500A) removed outlier: 3.832A pdb=" N HIS H 417 " --> pdb=" O SER H 413 " (cutoff:3.500A) removed outlier: 3.570A pdb=" N ILE H 418 " --> pdb=" O LEU H 414 " (cutoff:3.500A) removed outlier: 3.746A pdb=" N SER H 420 " --> pdb=" O GLN H 416 " (cutoff:3.500A) removed outlier: 3.533A pdb=" N LEU H 421 " --> pdb=" O HIS H 417 " (cutoff:3.500A) removed outlier: 3.549A pdb=" N HIS H 424 " --> pdb=" O SER H 420 " (cutoff:3.500A) Proline residue: H 425 - end of helix Processing helix chain 'H' and resid 430 through 435 removed outlier: 3.543A pdb=" N ILE H 434 " --> pdb=" O LEU H 430 " (cutoff:3.500A) removed outlier: 4.170A pdb=" N TYR H 435 " --> pdb=" O TYR H 431 " (cutoff:3.500A) No H-bonds generated for 'chain 'H' and resid 430 through 435' Processing helix chain 'H' and resid 476 through 496 removed outlier: 3.520A pdb=" N LEU H 484 " --> pdb=" O SER H 480 " (cutoff:3.500A) removed outlier: 4.048A pdb=" N HIS H 494 " --> pdb=" O ILE H 490 " (cutoff:3.500A) Processing helix chain 'H' and resid 524 through 552 removed outlier: 6.111A pdb=" N ASN H 528 " --> pdb=" O THR H 524 " (cutoff:3.500A) removed outlier: 7.421A pdb=" N ALA H 529 " --> pdb=" O ASP H 525 " (cutoff:3.500A) removed outlier: 4.539A pdb=" N PHE H 530 " --> pdb=" O LEU H 526 " (cutoff:3.500A) removed outlier: 7.840A pdb=" N GLN H 531 " --> pdb=" O GLU H 527 " (cutoff:3.500A) removed outlier: 4.871A pdb=" N GLY H 532 " --> pdb=" O ASN H 528 " (cutoff:3.500A) removed outlier: 4.376A pdb=" N ASP H 535 " --> pdb=" O GLN H 531 " (cutoff:3.500A) removed outlier: 3.618A pdb=" N ALA H 536 " --> pdb=" O GLY H 532 " (cutoff:3.500A) Processing helix chain 'H' and resid 554 through 566 removed outlier: 3.556A pdb=" N HIS H 558 " --> pdb=" O SER H 554 " (cutoff:3.500A) removed outlier: 3.625A pdb=" N MET H 559 " --> pdb=" O LEU H 555 " (cutoff:3.500A) removed outlier: 3.568A pdb=" N ARG H 563 " --> pdb=" O MET H 559 " (cutoff:3.500A) removed outlier: 3.963A pdb=" N TYR H 565 " --> pdb=" O ALA H 561 " (cutoff:3.500A) removed outlier: 3.769A pdb=" N LEU H 566 " --> pdb=" O MET H 562 " (cutoff:3.500A) Processing helix chain 'H' and resid 570 through 586 removed outlier: 5.660A pdb=" N ILE H 574 " --> pdb=" O GLN H 570 " (cutoff:3.500A) Proline residue: H 583 - end of helix Processing helix chain 'H' and resid 588 through 593 removed outlier: 4.387A pdb=" N LEU H 592 " --> pdb=" O PRO H 588 " (cutoff:3.500A) removed outlier: 5.928A pdb=" N TYR H 593 " --> pdb=" O ALA H 589 " (cutoff:3.500A) No H-bonds generated for 'chain 'H' and resid 588 through 593' Processing helix chain 'H' and resid 594 through 608 removed outlier: 3.671A pdb=" N GLU H 602 " --> pdb=" O THR H 598 " (cutoff:3.500A) removed outlier: 3.579A pdb=" N THR H 603 " --> pdb=" O GLY H 599 " (cutoff:3.500A) Processing helix chain 'H' and resid 614 through 622 removed outlier: 5.228A pdb=" N ASP H 622 " --> pdb=" O LEU H 618 " (cutoff:3.500A) Processing helix chain 'H' and resid 633 through 638 removed outlier: 3.748A pdb=" N PHE H 638 " --> pdb=" O GLY H 634 " (cutoff:3.500A) Processing helix chain 'H' and resid 648 through 653 Processing helix chain 'H' and resid 655 through 692 removed outlier: 4.102A pdb=" N HIS H 659 " --> pdb=" O GLU H 655 " (cutoff:3.500A) removed outlier: 3.669A pdb=" N ARG H 669 " --> pdb=" O ASN H 665 " (cutoff:3.500A) removed outlier: 3.631A pdb=" N ALA H 670 " --> pdb=" O PHE H 666 " (cutoff:3.500A) removed outlier: 4.310A pdb=" N LYS H 671 " --> pdb=" O LEU H 667 " (cutoff:3.500A) removed outlier: 3.875A pdb=" N TYR H 675 " --> pdb=" O LYS H 671 " (cutoff:3.500A) removed outlier: 4.634A pdb=" N LYS H 689 " --> pdb=" O MET H 685 " (cutoff:3.500A) removed outlier: 4.164A pdb=" N LEU H 690 " --> pdb=" O CYS H 686 " (cutoff:3.500A) removed outlier: 3.934A pdb=" N ARG H 692 " --> pdb=" O ALA H 688 " (cutoff:3.500A) Processing helix chain 'H' and resid 694 through 724 removed outlier: 4.692A pdb=" N SER H 698 " --> pdb=" O MET H 694 " (cutoff:3.500A) removed outlier: 4.851A pdb=" N GLY H 699 " --> pdb=" O PRO H 695 " (cutoff:3.500A) removed outlier: 5.273A pdb=" N VAL H 700 " --> pdb=" O GLU H 696 " (cutoff:3.500A) removed outlier: 3.506A pdb=" N HIS H 705 " --> pdb=" O LEU H 701 " (cutoff:3.500A) removed outlier: 3.594A pdb=" N SER H 709 " --> pdb=" O HIS H 705 " (cutoff:3.500A) removed outlier: 3.588A pdb=" N MET H 711 " --> pdb=" O LEU H 707 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N HIS H 713 " --> pdb=" O SER H 709 " (cutoff:3.500A) removed outlier: 3.610A pdb=" N PHE H 714 " --> pdb=" O GLU H 710 " (cutoff:3.500A) removed outlier: 4.409A pdb=" N GLN H 719 " --> pdb=" O ILE H 715 " (cutoff:3.500A) removed outlier: 4.032A pdb=" N TYR H 720 " --> pdb=" O HIS H 716 " (cutoff:3.500A) removed outlier: 4.567A pdb=" N THR H 723 " --> pdb=" O GLN H 719 " (cutoff:3.500A) Processing helix chain 'H' and resid 726 through 741 removed outlier: 3.877A pdb=" N SER H 730 " --> pdb=" O VAL H 726 " (cutoff:3.500A) removed outlier: 4.621A pdb=" N TRP H 731 " --> pdb=" O LEU H 727 " (cutoff:3.500A) removed outlier: 4.261A pdb=" N ALA H 741 " --> pdb=" O LYS H 737 " (cutoff:3.500A) Processing helix chain 'H' and resid 743 through 763 removed outlier: 3.645A pdb=" N ALA H 749 " --> pdb=" O ASP H 745 " (cutoff:3.500A) removed outlier: 4.128A pdb=" N VAL H 753 " --> pdb=" O ALA H 749 " (cutoff:3.500A) removed outlier: 3.726A pdb=" N SER H 760 " --> pdb=" O ASP H 756 " (cutoff:3.500A) removed outlier: 4.176A pdb=" N LEU H 763 " --> pdb=" O ILE H 759 " (cutoff:3.500A) Processing helix chain 'H' and resid 768 through 811 removed outlier: 3.513A pdb=" N GLN H 774 " --> pdb=" O ALA H 770 " (cutoff:3.500A) removed outlier: 3.567A pdb=" N VAL H 778 " --> pdb=" O GLN H 774 " (cutoff:3.500A) removed outlier: 3.531A pdb=" N PHE H 779 " --> pdb=" O LEU H 775 " (cutoff:3.500A) removed outlier: 3.540A pdb=" N GLN H 781 " --> pdb=" O ALA H 777 " (cutoff:3.500A) removed outlier: 4.165A pdb=" N ILE H 782 " --> pdb=" O VAL H 778 " (cutoff:3.500A) removed outlier: 3.746A pdb=" N ASP H 790 " --> pdb=" O GLN H 786 " (cutoff:3.500A) removed outlier: 3.774A pdb=" N TYR H 793 " --> pdb=" O GLN H 789 " (cutoff:3.500A) removed outlier: 3.884A pdb=" N ALA H 795 " --> pdb=" O ALA H 791 " (cutoff:3.500A) removed outlier: 5.339A pdb=" N GLU H 798 " --> pdb=" O ARG H 794 " (cutoff:3.500A) removed outlier: 3.607A pdb=" N GLU H 799 " --> pdb=" O ALA H 795 " (cutoff:3.500A) removed outlier: 3.732A pdb=" N LEU H 800 " --> pdb=" O ALA H 796 " (cutoff:3.500A) removed outlier: 3.574A pdb=" N LYS H 810 " --> pdb=" O PHE H 806 " (cutoff:3.500A) Processing helix chain 'H' and resid 827 through 867 Proline residue: H 841 - end of helix removed outlier: 3.511A pdb=" N LEU H 864 " --> pdb=" O GLN H 860 " (cutoff:3.500A) removed outlier: 4.342A pdb=" N THR H 867 " --> pdb=" O VAL H 863 " (cutoff:3.500A) Processing helix chain 'H' and resid 871 through 882 removed outlier: 3.812A pdb=" N LEU H 876 " --> pdb=" O SER H 872 " (cutoff:3.500A) removed outlier: 3.707A pdb=" N SER H 877 " --> pdb=" O LEU H 873 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N PHE H 878 " --> pdb=" O ARG H 874 " (cutoff:3.500A) Processing helix chain 'H' and resid 884 through 890 removed outlier: 4.239A pdb=" N ALA H 888 " --> pdb=" O GLU H 884 " (cutoff:3.500A) removed outlier: 4.145A pdb=" N ARG H 889 " --> pdb=" O HIS H 885 " (cutoff:3.500A) removed outlier: 7.080A pdb=" N GLU H 890 " --> pdb=" O TYR H 886 " (cutoff:3.500A) No H-bonds generated for 'chain 'H' and resid 884 through 890' Processing helix chain 'N' and resid 246 through 259 removed outlier: 3.653A pdb=" N LEU N 250 " --> pdb=" O THR N 246 " (cutoff:3.500A) removed outlier: 3.500A pdb=" N LEU N 255 " --> pdb=" O VAL N 251 " (cutoff:3.500A) removed outlier: 4.415A pdb=" N TYR N 256 " --> pdb=" O ARG N 252 " (cutoff:3.500A) removed outlier: 3.622A pdb=" N VAL N 257 " --> pdb=" O ASP N 253 " (cutoff:3.500A) removed outlier: 4.947A pdb=" N GLN N 259 " --> pdb=" O LEU N 255 " (cutoff:3.500A) Processing helix chain 'N' and resid 285 through 315 removed outlier: 3.871A pdb=" N ASP N 289 " --> pdb=" O ARG N 285 " (cutoff:3.500A) removed outlier: 4.361A pdb=" N ALA N 291 " --> pdb=" O LEU N 287 " (cutoff:3.500A) removed outlier: 3.812A pdb=" N VAL N 292 " --> pdb=" O ARG N 288 " (cutoff:3.500A) removed outlier: 4.068A pdb=" N ARG N 293 " --> pdb=" O ASP N 289 " (cutoff:3.500A) removed outlier: 4.679A pdb=" N GLU N 296 " --> pdb=" O VAL N 292 " (cutoff:3.500A) removed outlier: 4.310A pdb=" N LEU N 297 " --> pdb=" O ARG N 293 " (cutoff:3.500A) removed outlier: 4.577A pdb=" N GLY N 298 " --> pdb=" O LEU N 294 " (cutoff:3.500A) removed outlier: 3.617A pdb=" N TRP N 299 " --> pdb=" O SER N 295 " (cutoff:3.500A) removed outlier: 3.659A pdb=" N HIS N 301 " --> pdb=" O LEU N 297 " (cutoff:3.500A) removed outlier: 3.977A pdb=" N TYR N 307 " --> pdb=" O LYS N 303 " (cutoff:3.500A) removed outlier: 3.752A pdb=" N GLN N 310 " --> pdb=" O ARG N 306 " (cutoff:3.500A) removed outlier: 3.863A pdb=" N SER N 312 " --> pdb=" O THR N 308 " (cutoff:3.500A) removed outlier: 4.080A pdb=" N LEU N 313 " --> pdb=" O ASP N 309 " (cutoff:3.500A) removed outlier: 3.778A pdb=" N ASP N 314 " --> pdb=" O GLN N 310 " (cutoff:3.500A) removed outlier: 5.753A pdb=" N ARG N 315 " --> pdb=" O ARG N 311 " (cutoff:3.500A) Processing helix chain 'N' and resid 318 through 347 removed outlier: 3.641A pdb=" N SER N 323 " --> pdb=" O LEU N 319 " (cutoff:3.500A) removed outlier: 6.346A pdb=" N PHE N 324 " --> pdb=" O VAL N 320 " (cutoff:3.500A) removed outlier: 3.706A pdb=" N GLU N 334 " --> pdb=" O GLN N 330 " (cutoff:3.500A) removed outlier: 3.580A pdb=" N TYR N 335 " --> pdb=" O GLU N 331 " (cutoff:3.500A) removed outlier: 3.522A pdb=" N ARG N 337 " --> pdb=" O ARG N 333 " (cutoff:3.500A) removed outlier: 3.550A pdb=" N LEU N 338 " --> pdb=" O GLU N 334 " (cutoff:3.500A) removed outlier: 3.630A pdb=" N VAL N 341 " --> pdb=" O ARG N 337 " (cutoff:3.500A) removed outlier: 4.814A pdb=" N GLN N 347 " --> pdb=" O HIS N 343 " (cutoff:3.500A) Processing helix chain 'N' and resid 363 through 389 removed outlier: 5.147A pdb=" N LEU N 367 " --> pdb=" O THR N 363 " (cutoff:3.500A) removed outlier: 5.837A pdb=" N VAL N 369 " --> pdb=" O ARG N 365 " (cutoff:3.500A) removed outlier: 7.256A pdb=" N TRP N 370 " --> pdb=" O ARG N 366 " (cutoff:3.500A) removed outlier: 4.807A pdb=" N ASP N 373 " --> pdb=" O VAL N 369 " (cutoff:3.500A) Proline residue: N 374 - end of helix removed outlier: 3.892A pdb=" N ARG N 377 " --> pdb=" O ASP N 373 " (cutoff:3.500A) removed outlier: 3.611A pdb=" N THR N 380 " --> pdb=" O ILE N 376 " (cutoff:3.500A) removed outlier: 4.126A pdb=" N LEU N 381 " --> pdb=" O ARG N 377 " (cutoff:3.500A) removed outlier: 4.124A pdb=" N ASP N 386 " --> pdb=" O ALA N 382 " (cutoff:3.500A) Processing helix chain 'N' and resid 393 through 405 removed outlier: 3.615A pdb=" N ALA N 397 " --> pdb=" O GLY N 393 " (cutoff:3.500A) removed outlier: 3.502A pdb=" N SER N 398 " --> pdb=" O GLY N 394 " (cutoff:3.500A) removed outlier: 4.158A pdb=" N TYR N 403 " --> pdb=" O ALA N 399 " (cutoff:3.500A) removed outlier: 3.529A pdb=" N THR N 404 " --> pdb=" O VAL N 400 " (cutoff:3.500A) removed outlier: 4.663A pdb=" N LYS N 405 " --> pdb=" O HIS N 401 " (cutoff:3.500A) Processing helix chain 'N' and resid 410 through 427 removed outlier: 3.524A pdb=" N GLN N 416 " --> pdb=" O ARG N 412 " (cutoff:3.500A) removed outlier: 3.832A pdb=" N HIS N 417 " --> pdb=" O SER N 413 " (cutoff:3.500A) removed outlier: 3.570A pdb=" N ILE N 418 " --> pdb=" O LEU N 414 " (cutoff:3.500A) removed outlier: 3.746A pdb=" N SER N 420 " --> pdb=" O GLN N 416 " (cutoff:3.500A) removed outlier: 3.534A pdb=" N LEU N 421 " --> pdb=" O HIS N 417 " (cutoff:3.500A) removed outlier: 3.549A pdb=" N HIS N 424 " --> pdb=" O SER N 420 " (cutoff:3.500A) Proline residue: N 425 - end of helix Processing helix chain 'N' and resid 430 through 435 removed outlier: 3.544A pdb=" N ILE N 434 " --> pdb=" O LEU N 430 " (cutoff:3.500A) removed outlier: 4.169A pdb=" N TYR N 435 " --> pdb=" O TYR N 431 " (cutoff:3.500A) No H-bonds generated for 'chain 'N' and resid 430 through 435' Processing helix chain 'N' and resid 476 through 496 removed outlier: 3.520A pdb=" N LEU N 484 " --> pdb=" O SER N 480 " (cutoff:3.500A) removed outlier: 4.046A pdb=" N HIS N 494 " --> pdb=" O ILE N 490 " (cutoff:3.500A) Processing helix chain 'N' and resid 524 through 552 removed outlier: 6.110A pdb=" N ASN N 528 " --> pdb=" O THR N 524 " (cutoff:3.500A) removed outlier: 7.421A pdb=" N ALA N 529 " --> pdb=" O ASP N 525 " (cutoff:3.500A) removed outlier: 4.539A pdb=" N PHE N 530 " --> pdb=" O LEU N 526 " (cutoff:3.500A) removed outlier: 7.841A pdb=" N GLN N 531 " --> pdb=" O GLU N 527 " (cutoff:3.500A) removed outlier: 4.869A pdb=" N GLY N 532 " --> pdb=" O ASN N 528 " (cutoff:3.500A) removed outlier: 4.377A pdb=" N ASP N 535 " --> pdb=" O GLN N 531 " (cutoff:3.500A) removed outlier: 3.619A pdb=" N ALA N 536 " --> pdb=" O GLY N 532 " (cutoff:3.500A) Processing helix chain 'N' and resid 554 through 566 removed outlier: 3.556A pdb=" N HIS N 558 " --> pdb=" O SER N 554 " (cutoff:3.500A) removed outlier: 3.625A pdb=" N MET N 559 " --> pdb=" O LEU N 555 " (cutoff:3.500A) removed outlier: 3.569A pdb=" N ARG N 563 " --> pdb=" O MET N 559 " (cutoff:3.500A) removed outlier: 3.964A pdb=" N TYR N 565 " --> pdb=" O ALA N 561 " (cutoff:3.500A) removed outlier: 3.771A pdb=" N LEU N 566 " --> pdb=" O MET N 562 " (cutoff:3.500A) Processing helix chain 'N' and resid 570 through 586 removed outlier: 5.660A pdb=" N ILE N 574 " --> pdb=" O GLN N 570 " (cutoff:3.500A) Proline residue: N 583 - end of helix Processing helix chain 'N' and resid 588 through 593 removed outlier: 4.388A pdb=" N LEU N 592 " --> pdb=" O PRO N 588 " (cutoff:3.500A) removed outlier: 5.918A pdb=" N TYR N 593 " --> pdb=" O ALA N 589 " (cutoff:3.500A) No H-bonds generated for 'chain 'N' and resid 588 through 593' Processing helix chain 'N' and resid 594 through 608 removed outlier: 3.674A pdb=" N GLY N 599 " --> pdb=" O HIS N 595 " (cutoff:3.500A) removed outlier: 3.672A pdb=" N GLU N 602 " --> pdb=" O THR N 598 " (cutoff:3.500A) removed outlier: 3.502A pdb=" N THR N 603 " --> pdb=" O GLY N 599 " (cutoff:3.500A) Processing helix chain 'N' and resid 614 through 622 removed outlier: 5.229A pdb=" N ASP N 622 " --> pdb=" O LEU N 618 " (cutoff:3.500A) Processing helix chain 'N' and resid 633 through 638 removed outlier: 3.746A pdb=" N PHE N 638 " --> pdb=" O GLY N 634 " (cutoff:3.500A) Processing helix chain 'N' and resid 648 through 653 Processing helix chain 'N' and resid 655 through 692 removed outlier: 4.102A pdb=" N HIS N 659 " --> pdb=" O GLU N 655 " (cutoff:3.500A) removed outlier: 3.668A pdb=" N ARG N 669 " --> pdb=" O ASN N 665 " (cutoff:3.500A) removed outlier: 3.629A pdb=" N ALA N 670 " --> pdb=" O PHE N 666 " (cutoff:3.500A) removed outlier: 4.310A pdb=" N LYS N 671 " --> pdb=" O LEU N 667 " (cutoff:3.500A) removed outlier: 3.874A pdb=" N TYR N 675 " --> pdb=" O LYS N 671 " (cutoff:3.500A) removed outlier: 4.635A pdb=" N LYS N 689 " --> pdb=" O MET N 685 " (cutoff:3.500A) removed outlier: 4.165A pdb=" N LEU N 690 " --> pdb=" O CYS N 686 " (cutoff:3.500A) removed outlier: 3.935A pdb=" N ARG N 692 " --> pdb=" O ALA N 688 " (cutoff:3.500A) Processing helix chain 'N' and resid 694 through 724 removed outlier: 4.692A pdb=" N SER N 698 " --> pdb=" O MET N 694 " (cutoff:3.500A) removed outlier: 4.852A pdb=" N GLY N 699 " --> pdb=" O PRO N 695 " (cutoff:3.500A) removed outlier: 5.273A pdb=" N VAL N 700 " --> pdb=" O GLU N 696 " (cutoff:3.500A) removed outlier: 3.506A pdb=" N HIS N 705 " --> pdb=" O LEU N 701 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N SER N 709 " --> pdb=" O HIS N 705 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N MET N 711 " --> pdb=" O LEU N 707 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N HIS N 713 " --> pdb=" O SER N 709 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N PHE N 714 " --> pdb=" O GLU N 710 " (cutoff:3.500A) removed outlier: 4.410A pdb=" N GLN N 719 " --> pdb=" O ILE N 715 " (cutoff:3.500A) removed outlier: 4.032A pdb=" N TYR N 720 " --> pdb=" O HIS N 716 " (cutoff:3.500A) removed outlier: 4.567A pdb=" N THR N 723 " --> pdb=" O GLN N 719 " (cutoff:3.500A) Processing helix chain 'N' and resid 726 through 741 removed outlier: 3.876A pdb=" N SER N 730 " --> pdb=" O VAL N 726 " (cutoff:3.500A) removed outlier: 4.621A pdb=" N TRP N 731 " --> pdb=" O LEU N 727 " (cutoff:3.500A) removed outlier: 4.263A pdb=" N ALA N 741 " --> pdb=" O LYS N 737 " (cutoff:3.500A) Processing helix chain 'N' and resid 743 through 763 removed outlier: 3.644A pdb=" N ALA N 749 " --> pdb=" O ASP N 745 " (cutoff:3.500A) removed outlier: 4.128A pdb=" N VAL N 753 " --> pdb=" O ALA N 749 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N SER N 760 " --> pdb=" O ASP N 756 " (cutoff:3.500A) removed outlier: 4.178A pdb=" N LEU N 763 " --> pdb=" O ILE N 759 " (cutoff:3.500A) Processing helix chain 'N' and resid 768 through 811 removed outlier: 3.512A pdb=" N GLN N 774 " --> pdb=" O ALA N 770 " (cutoff:3.500A) removed outlier: 3.569A pdb=" N VAL N 778 " --> pdb=" O GLN N 774 " (cutoff:3.500A) removed outlier: 3.530A pdb=" N PHE N 779 " --> pdb=" O LEU N 775 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N GLN N 781 " --> pdb=" O ALA N 777 " (cutoff:3.500A) removed outlier: 4.164A pdb=" N ILE N 782 " --> pdb=" O VAL N 778 " (cutoff:3.500A) removed outlier: 3.745A pdb=" N ASP N 790 " --> pdb=" O GLN N 786 " (cutoff:3.500A) removed outlier: 3.774A pdb=" N TYR N 793 " --> pdb=" O GLN N 789 " (cutoff:3.500A) removed outlier: 3.884A pdb=" N ALA N 795 " --> pdb=" O ALA N 791 " (cutoff:3.500A) removed outlier: 5.339A pdb=" N GLU N 798 " --> pdb=" O ARG N 794 " (cutoff:3.500A) removed outlier: 3.607A pdb=" N GLU N 799 " --> pdb=" O ALA N 795 " (cutoff:3.500A) removed outlier: 3.733A pdb=" N LEU N 800 " --> pdb=" O ALA N 796 " (cutoff:3.500A) removed outlier: 3.575A pdb=" N LYS N 810 " --> pdb=" O PHE N 806 " (cutoff:3.500A) Processing helix chain 'N' and resid 827 through 867 Proline residue: N 841 - end of helix removed outlier: 3.512A pdb=" N LEU N 864 " --> pdb=" O GLN N 860 " (cutoff:3.500A) removed outlier: 4.342A pdb=" N THR N 867 " --> pdb=" O VAL N 863 " (cutoff:3.500A) Processing helix chain 'N' and resid 871 through 882 removed outlier: 3.811A pdb=" N LEU N 876 " --> pdb=" O SER N 872 " (cutoff:3.500A) removed outlier: 3.707A pdb=" N SER N 877 " --> pdb=" O LEU N 873 " (cutoff:3.500A) removed outlier: 3.798A pdb=" N PHE N 878 " --> pdb=" O ARG N 874 " (cutoff:3.500A) Processing helix chain 'N' and resid 884 through 890 removed outlier: 4.239A pdb=" N ALA N 888 " --> pdb=" O GLU N 884 " (cutoff:3.500A) removed outlier: 4.145A pdb=" N ARG N 889 " --> pdb=" O HIS N 885 " (cutoff:3.500A) removed outlier: 7.080A pdb=" N GLU N 890 " --> pdb=" O TYR N 886 " (cutoff:3.500A) No H-bonds generated for 'chain 'N' and resid 884 through 890' Processing helix chain 'I' and resid 1 through 11 removed outlier: 4.099A pdb=" N LEU I 6 " --> pdb=" O ILE I 2 " (cutoff:3.500A) removed outlier: 5.002A pdb=" N SER I 10 " --> pdb=" O LEU I 6 " (cutoff:3.500A) removed outlier: 3.911A pdb=" N GLY I 11 " --> pdb=" O LEU I 7 " (cutoff:3.500A) Processing helix chain 'I' and resid 40 through 63 removed outlier: 3.539A pdb=" N ARG I 47 " --> pdb=" O ASN I 43 " (cutoff:3.500A) removed outlier: 4.510A pdb=" N LEU I 48 " --> pdb=" O ARG I 44 " (cutoff:3.500A) removed outlier: 4.025A pdb=" N GLY I 49 " --> pdb=" O LEU I 45 " (cutoff:3.500A) removed outlier: 3.706A pdb=" N ASP I 51 " --> pdb=" O ARG I 47 " (cutoff:3.500A) removed outlier: 3.700A pdb=" N THR I 56 " --> pdb=" O TYR I 52 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N GLU I 57 " --> pdb=" O ILE I 53 " (cutoff:3.500A) removed outlier: 3.646A pdb=" N TYR I 62 " --> pdb=" O PHE I 58 " (cutoff:3.500A) removed outlier: 4.291A pdb=" N THR I 63 " --> pdb=" O ILE I 59 " (cutoff:3.500A) Processing helix chain 'I' and resid 83 through 115 removed outlier: 4.051A pdb=" N ARG I 87 " --> pdb=" O GLY I 83 " (cutoff:3.500A) removed outlier: 3.849A pdb=" N CYS I 90 " --> pdb=" O LEU I 86 " (cutoff:3.500A) removed outlier: 4.571A pdb=" N THR I 91 " --> pdb=" O ARG I 87 " (cutoff:3.500A) removed outlier: 3.625A pdb=" N SER I 95 " --> pdb=" O THR I 91 " (cutoff:3.500A) removed outlier: 3.651A pdb=" N LEU I 97 " --> pdb=" O LEU I 93 " (cutoff:3.500A) Proline residue: I 99 - end of helix removed outlier: 3.707A pdb=" N ALA I 103 " --> pdb=" O PRO I 99 " (cutoff:3.500A) removed outlier: 4.097A pdb=" N LEU I 104 " --> pdb=" O TYR I 100 " (cutoff:3.500A) removed outlier: 4.119A pdb=" N LEU I 107 " --> pdb=" O ALA I 103 " (cutoff:3.500A) removed outlier: 3.645A pdb=" N GLU I 108 " --> pdb=" O LEU I 104 " (cutoff:3.500A) removed outlier: 3.970A pdb=" N GLY I 113 " --> pdb=" O GLN I 109 " (cutoff:3.500A) Proline residue: I 115 - end of helix Processing helix chain 'I' and resid 118 through 127 removed outlier: 4.084A pdb=" N VAL I 122 " --> pdb=" O SER I 118 " (cutoff:3.500A) Processing helix chain 'I' and resid 128 through 147 removed outlier: 4.317A pdb=" N LEU I 132 " --> pdb=" O GLN I 128 " (cutoff:3.500A) removed outlier: 3.969A pdb=" N PHE I 133 " --> pdb=" O PHE I 129 " (cutoff:3.500A) Proline residue: I 134 - end of helix removed outlier: 3.829A pdb=" N VAL I 138 " --> pdb=" O PRO I 134 " (cutoff:3.500A) removed outlier: 4.240A pdb=" N VAL I 139 " --> pdb=" O SER I 135 " (cutoff:3.500A) removed outlier: 3.544A pdb=" N VAL I 140 " --> pdb=" O VAL I 136 " (cutoff:3.500A) removed outlier: 4.529A pdb=" N LYS I 147 " --> pdb=" O ILE I 143 " (cutoff:3.500A) Processing helix chain 'I' and resid 151 through 164 removed outlier: 4.523A pdb=" N GLU I 155 " --> pdb=" O CYS I 151 " (cutoff:3.500A) removed outlier: 3.605A pdb=" N THR I 156 " --> pdb=" O GLN I 152 " (cutoff:3.500A) removed outlier: 3.950A pdb=" N HIS I 160 " --> pdb=" O THR I 156 " (cutoff:3.500A) removed outlier: 4.182A pdb=" N CYS I 162 " --> pdb=" O TYR I 158 " (cutoff:3.500A) removed outlier: 5.006A pdb=" N GLY I 163 " --> pdb=" O LYS I 159 " (cutoff:3.500A) removed outlier: 5.537A pdb=" N GLY I 164 " --> pdb=" O HIS I 160 " (cutoff:3.500A) Processing helix chain 'I' and resid 166 through 188 removed outlier: 3.537A pdb=" N LEU I 172 " --> pdb=" O VAL I 168 " (cutoff:3.500A) removed outlier: 3.722A pdb=" N VAL I 178 " --> pdb=" O LYS I 174 " (cutoff:3.500A) removed outlier: 3.633A pdb=" N CYS I 179 " --> pdb=" O ILE I 175 " (cutoff:3.500A) removed outlier: 3.732A pdb=" N LYS I 185 " --> pdb=" O GLY I 181 " (cutoff:3.500A) removed outlier: 4.328A pdb=" N LEU I 187 " --> pdb=" O MET I 183 " (cutoff:3.500A) removed outlier: 4.053A pdb=" N SER I 188 " --> pdb=" O TYR I 184 " (cutoff:3.500A) Processing helix chain 'I' and resid 269 through 285 removed outlier: 3.508A pdb=" N LEU I 277 " --> pdb=" O ALA I 273 " (cutoff:3.500A) removed outlier: 3.562A pdb=" N PHE I 278 " --> pdb=" O GLU I 274 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N VAL I 279 " --> pdb=" O LYS I 275 " (cutoff:3.500A) removed outlier: 3.543A pdb=" N VAL I 283 " --> pdb=" O VAL I 279 " (cutoff:3.500A) removed outlier: 3.855A pdb=" N GLN I 284 " --> pdb=" O GLY I 280 " (cutoff:3.500A) removed outlier: 3.855A pdb=" N MET I 285 " --> pdb=" O GLU I 281 " (cutoff:3.500A) Processing helix chain 'I' and resid 298 through 317 removed outlier: 4.701A pdb=" N ASN I 302 " --> pdb=" O SER I 298 " (cutoff:3.500A) removed outlier: 5.080A pdb=" N ASP I 305 " --> pdb=" O LYS I 301 " (cutoff:3.500A) removed outlier: 6.038A pdb=" N THR I 306 " --> pdb=" O ASN I 302 " (cutoff:3.500A) Processing helix chain 'I' and resid 321 through 347 removed outlier: 3.786A pdb=" N GLN I 327 " --> pdb=" O VAL I 323 " (cutoff:3.500A) removed outlier: 3.558A pdb=" N VAL I 328 " --> pdb=" O ASP I 324 " (cutoff:3.500A) removed outlier: 3.557A pdb=" N THR I 335 " --> pdb=" O ARG I 331 " (cutoff:3.500A) removed outlier: 3.665A pdb=" N LEU I 340 " --> pdb=" O VAL I 336 " (cutoff:3.500A) removed outlier: 3.615A pdb=" N TRP I 341 " --> pdb=" O ALA I 337 " (cutoff:3.500A) removed outlier: 4.370A pdb=" N GLU I 346 " --> pdb=" O LYS I 342 " (cutoff:3.500A) Processing helix chain 'I' and resid 349 through 361 removed outlier: 3.672A pdb=" N LYS I 355 " --> pdb=" O LEU I 351 " (cutoff:3.500A) removed outlier: 3.864A pdb=" N ILE I 356 " --> pdb=" O GLY I 352 " (cutoff:3.500A) Processing helix chain 'I' and resid 365 through 377 removed outlier: 4.334A pdb=" N PHE I 369 " --> pdb=" O ARG I 365 " (cutoff:3.500A) removed outlier: 3.567A pdb=" N PHE I 372 " --> pdb=" O LEU I 368 " (cutoff:3.500A) removed outlier: 4.447A pdb=" N ILE I 373 " --> pdb=" O PHE I 369 " (cutoff:3.500A) Processing helix chain 'I' and resid 386 through 402 removed outlier: 5.527A pdb=" N HIS I 390 " --> pdb=" O ALA I 386 " (cutoff:3.500A) removed outlier: 3.908A pdb=" N ASN I 393 " --> pdb=" O GLU I 389 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N HIS I 401 " --> pdb=" O GLN I 397 " (cutoff:3.500A) removed outlier: 3.870A pdb=" N LYS I 402 " --> pdb=" O GLN I 398 " (cutoff:3.500A) Processing helix chain 'I' and resid 468 through 506 removed outlier: 3.561A pdb=" N GLU I 473 " --> pdb=" O PRO I 469 " (cutoff:3.500A) removed outlier: 3.565A pdb=" N LYS I 474 " --> pdb=" O ALA I 470 " (cutoff:3.500A) removed outlier: 3.687A pdb=" N VAL I 485 " --> pdb=" O TYR I 481 " (cutoff:3.500A) removed outlier: 3.525A pdb=" N ARG I 486 " --> pdb=" O LEU I 482 " (cutoff:3.500A) removed outlier: 3.508A pdb=" N GLU I 491 " --> pdb=" O ARG I 487 " (cutoff:3.500A) removed outlier: 5.024A pdb=" N ALA I 497 " --> pdb=" O GLN I 493 " (cutoff:3.500A) removed outlier: 5.958A pdb=" N LEU I 498 " --> pdb=" O HIS I 494 " (cutoff:3.500A) removed outlier: 6.602A pdb=" N GLN I 499 " --> pdb=" O CYS I 495 " (cutoff:3.500A) removed outlier: 4.577A pdb=" N MET I 500 " --> pdb=" O TRP I 496 " (cutoff:3.500A) removed outlier: 3.573A pdb=" N ARG I 502 " --> pdb=" O LEU I 498 " (cutoff:3.500A) removed outlier: 5.318A pdb=" N LYS I 503 " --> pdb=" O GLN I 499 " (cutoff:3.500A) removed outlier: 5.236A pdb=" N HIS I 504 " --> pdb=" O MET I 500 " (cutoff:3.500A) removed outlier: 5.166A pdb=" N LEU I 505 " --> pdb=" O GLN I 501 " (cutoff:3.500A) removed outlier: 4.393A pdb=" N LYS I 506 " --> pdb=" O ARG I 502 " (cutoff:3.500A) Processing helix chain 'I' and resid 517 through 552 removed outlier: 4.748A pdb=" N MET I 521 " --> pdb=" O LEU I 517 " (cutoff:3.500A) removed outlier: 3.542A pdb=" N VAL I 525 " --> pdb=" O MET I 521 " (cutoff:3.500A) removed outlier: 4.249A pdb=" N GLN I 529 " --> pdb=" O VAL I 525 " (cutoff:3.500A) removed outlier: 3.662A pdb=" N TYR I 530 " --> pdb=" O ASP I 526 " (cutoff:3.500A) removed outlier: 3.583A pdb=" N ASP I 535 " --> pdb=" O TYR I 531 " (cutoff:3.500A) removed outlier: 3.518A pdb=" N GLN I 540 " --> pdb=" O VAL I 536 " (cutoff:3.500A) removed outlier: 4.504A pdb=" N ASN I 549 " --> pdb=" O LEU I 545 " (cutoff:3.500A) removed outlier: 5.852A pdb=" N ARG I 552 " --> pdb=" O ILE I 548 " (cutoff:3.500A) Processing helix chain 'I' and resid 553 through 573 removed outlier: 3.557A pdb=" N LEU I 559 " --> pdb=" O GLU I 555 " (cutoff:3.500A) removed outlier: 3.653A pdb=" N SER I 566 " --> pdb=" O ASP I 562 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N ALA I 570 " --> pdb=" O SER I 566 " (cutoff:3.500A) Processing helix chain 'I' and resid 577 through 601 removed outlier: 3.518A pdb=" N VAL I 597 " --> pdb=" O PHE I 593 " (cutoff:3.500A) removed outlier: 3.619A pdb=" N GLN I 599 " --> pdb=" O SER I 595 " (cutoff:3.500A) removed outlier: 3.633A pdb=" N ASN I 600 " --> pdb=" O LEU I 596 " (cutoff:3.500A) removed outlier: 4.152A pdb=" N LEU I 601 " --> pdb=" O VAL I 597 " (cutoff:3.500A) Processing helix chain 'I' and resid 607 through 631 removed outlier: 3.985A pdb=" N GLN I 611 " --> pdb=" O ARG I 607 " (cutoff:3.500A) removed outlier: 3.645A pdb=" N LEU I 625 " --> pdb=" O ARG I 621 " (cutoff:3.500A) removed outlier: 3.535A pdb=" N LEU I 626 " --> pdb=" O GLN I 622 " (cutoff:3.500A) removed outlier: 3.904A pdb=" N PHE I 627 " --> pdb=" O SER I 623 " (cutoff:3.500A) removed outlier: 4.191A pdb=" N LYS I 628 " --> pdb=" O SER I 624 " (cutoff:3.500A) removed outlier: 4.541A pdb=" N ILE I 629 " --> pdb=" O LEU I 625 " (cutoff:3.500A) removed outlier: 4.091A pdb=" N LEU I 630 " --> pdb=" O LEU I 626 " (cutoff:3.500A) Processing helix chain 'I' and resid 189 through 194 Processing helix chain 'J' and resid 249 through 256 Proline residue: J 255 - end of helix Processing helix chain 'J' and resid 266 through 280 removed outlier: 3.593A pdb=" N ILE J 271 " --> pdb=" O GLU J 267 " (cutoff:3.500A) removed outlier: 3.607A pdb=" N ARG J 272 " --> pdb=" O THR J 268 " (cutoff:3.500A) removed outlier: 4.100A pdb=" N GLY J 280 " --> pdb=" O TRP J 276 " (cutoff:3.500A) Processing helix chain 'J' and resid 308 through 336 removed outlier: 4.031A pdb=" N TYR J 320 " --> pdb=" O GLN J 316 " (cutoff:3.500A) removed outlier: 3.630A pdb=" N VAL J 323 " --> pdb=" O ALA J 319 " (cutoff:3.500A) removed outlier: 4.715A pdb=" N GLY J 336 " --> pdb=" O ASP J 332 " (cutoff:3.500A) Processing helix chain 'J' and resid 358 through 388 removed outlier: 5.934A pdb=" N GLN J 362 " --> pdb=" O PHE J 358 " (cutoff:3.500A) removed outlier: 4.143A pdb=" N ALA J 363 " --> pdb=" O ARG J 359 " (cutoff:3.500A) Processing helix chain 'J' and resid 394 through 404 removed outlier: 3.750A pdb=" N ALA J 403 " --> pdb=" O VAL J 399 " (cutoff:3.500A) Proline residue: J 404 - end of helix Processing helix chain 'J' and resid 405 through 420 removed outlier: 3.549A pdb=" N LYS J 410 " --> pdb=" O LEU J 406 " (cutoff:3.500A) removed outlier: 3.860A pdb=" N VAL J 411 " --> pdb=" O SER J 407 " (cutoff:3.500A) Processing helix chain 'J' and resid 428 through 451 removed outlier: 3.972A pdb=" N ARG J 432 " --> pdb=" O ARG J 428 " (cutoff:3.500A) removed outlier: 3.622A pdb=" N LYS J 442 " --> pdb=" O ASN J 438 " (cutoff:3.500A) removed outlier: 3.555A pdb=" N ALA J 443 " --> pdb=" O THR J 439 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N LEU J 445 " --> pdb=" O TYR J 441 " (cutoff:3.500A) removed outlier: 4.335A pdb=" N ASN J 449 " --> pdb=" O LEU J 445 " (cutoff:3.500A) removed outlier: 4.677A pdb=" N VAL J 450 " --> pdb=" O GLU J 446 " (cutoff:3.500A) removed outlier: 5.033A pdb=" N GLY J 451 " --> pdb=" O TYR J 447 " (cutoff:3.500A) Processing helix chain 'J' and resid 455 through 482 removed outlier: 3.927A pdb=" N SER J 459 " --> pdb=" O GLU J 455 " (cutoff:3.500A) removed outlier: 3.504A pdb=" N GLU J 467 " --> pdb=" O SER J 463 " (cutoff:3.500A) Proline residue: J 471 - end of helix Processing helix chain 'J' and resid 501 through 506 removed outlier: 4.572A pdb=" N ARG J 505 " --> pdb=" O PRO J 501 " (cutoff:3.500A) removed outlier: 4.164A pdb=" N ASP J 506 " --> pdb=" O VAL J 502 " (cutoff:3.500A) No H-bonds generated for 'chain 'J' and resid 501 through 506' Processing helix chain 'J' and resid 536 through 541 Proline residue: J 541 - end of helix Processing helix chain 'J' and resid 549 through 554 removed outlier: 3.989A pdb=" N LYS J 553 " --> pdb=" O VAL J 549 " (cutoff:3.500A) Proline residue: J 554 - end of helix No H-bonds generated for 'chain 'J' and resid 549 through 554' Processing helix chain 'J' and resid 555 through 572 removed outlier: 3.506A pdb=" N MET J 561 " --> pdb=" O LYS J 557 " (cutoff:3.500A) removed outlier: 4.123A pdb=" N LEU J 572 " --> pdb=" O LEU J 568 " (cutoff:3.500A) Processing helix chain 'J' and resid 637 through 648 Proline residue: J 644 - end of helix removed outlier: 4.259A pdb=" N ILE J 648 " --> pdb=" O PRO J 644 " (cutoff:3.500A) Processing helix chain 'J' and resid 683 through 713 removed outlier: 3.502A pdb=" N CYS J 690 " --> pdb=" O THR J 686 " (cutoff:3.500A) removed outlier: 4.061A pdb=" N LEU J 691 " --> pdb=" O LEU J 687 " (cutoff:3.500A) removed outlier: 3.949A pdb=" N TYR J 692 " --> pdb=" O ARG J 688 " (cutoff:3.500A) Proline residue: J 693 - end of helix removed outlier: 3.753A pdb=" N GLN J 698 " --> pdb=" O HIS J 694 " (cutoff:3.500A) removed outlier: 3.516A pdb=" N GLY J 704 " --> pdb=" O LEU J 700 " (cutoff:3.500A) removed outlier: 3.610A pdb=" N MET J 707 " --> pdb=" O CYS J 703 " (cutoff:3.500A) removed outlier: 3.588A pdb=" N LYS J 712 " --> pdb=" O GLN J 708 " (cutoff:3.500A) Processing helix chain 'J' and resid 715 through 725 removed outlier: 4.339A pdb=" N TYR J 719 " --> pdb=" O ARG J 715 " (cutoff:3.500A) Processing helix chain 'J' and resid 732 through 744 removed outlier: 4.024A pdb=" N TYR J 736 " --> pdb=" O GLY J 732 " (cutoff:3.500A) removed outlier: 3.701A pdb=" N SER J 741 " --> pdb=" O ASP J 737 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N ILE J 742 " --> pdb=" O PHE J 738 " (cutoff:3.500A) Processing helix chain 'J' and resid 754 through 766 Processing helix chain 'J' and resid 809 through 814 removed outlier: 3.522A pdb=" N ILE J 813 " --> pdb=" O VAL J 809 " (cutoff:3.500A) removed outlier: 3.972A pdb=" N SER J 814 " --> pdb=" O ASP J 810 " (cutoff:3.500A) No H-bonds generated for 'chain 'J' and resid 809 through 814' Processing helix chain 'J' and resid 816 through 840 removed outlier: 4.327A pdb=" N ILE J 820 " --> pdb=" O GLU J 816 " (cutoff:3.500A) removed outlier: 3.754A pdb=" N LEU J 827 " --> pdb=" O GLN J 823 " (cutoff:3.500A) Processing helix chain 'J' and resid 879 through 903 removed outlier: 4.112A pdb=" N PHE J 884 " --> pdb=" O ILE J 880 " (cutoff:3.500A) removed outlier: 3.640A pdb=" N VAL J 888 " --> pdb=" O PHE J 884 " (cutoff:3.500A) removed outlier: 4.302A pdb=" N PHE J 893 " --> pdb=" O LYS J 889 " (cutoff:3.500A) Processing helix chain 'J' and resid 906 through 921 removed outlier: 3.588A pdb=" N GLU J 912 " --> pdb=" O SER J 908 " (cutoff:3.500A) removed outlier: 3.518A pdb=" N GLN J 914 " --> pdb=" O GLY J 910 " (cutoff:3.500A) removed outlier: 4.264A pdb=" N GLU J 918 " --> pdb=" O GLN J 914 " (cutoff:3.500A) removed outlier: 4.019A pdb=" N GLU J 919 " --> pdb=" O HIS J 915 " (cutoff:3.500A) removed outlier: 5.871A pdb=" N LYS J 921 " --> pdb=" O VAL J 917 " (cutoff:3.500A) Processing helix chain 'J' and resid 922 through 942 removed outlier: 3.812A pdb=" N ILE J 927 " --> pdb=" O LEU J 923 " (cutoff:3.500A) removed outlier: 3.586A pdb=" N HIS J 930 " --> pdb=" O LEU J 926 " (cutoff:3.500A) removed outlier: 3.986A pdb=" N ASP J 939 " --> pdb=" O SER J 935 " (cutoff:3.500A) removed outlier: 5.163A pdb=" N LEU J 942 " --> pdb=" O HIS J 938 " (cutoff:3.500A) Processing helix chain 'J' and resid 949 through 969 removed outlier: 5.595A pdb=" N ALA J 953 " --> pdb=" O PHE J 949 " (cutoff:3.500A) removed outlier: 3.953A pdb=" N ILE J 954 " --> pdb=" O VAL J 950 " (cutoff:3.500A) removed outlier: 3.985A pdb=" N ALA J 961 " --> pdb=" O VAL J 957 " (cutoff:3.500A) removed outlier: 3.604A pdb=" N TRP J 968 " --> pdb=" O PHE J 964 " (cutoff:3.500A) removed outlier: 4.874A pdb=" N GLN J 969 " --> pdb=" O ALA J 965 " (cutoff:3.500A) Processing helix chain 'J' and resid 979 through 1004 removed outlier: 3.603A pdb=" N ALA J1001 " --> pdb=" O ILE J 997 " (cutoff:3.500A) removed outlier: 4.378A pdb=" N VAL J1002 " --> pdb=" O LEU J 998 " (cutoff:3.500A) removed outlier: 4.723A pdb=" N CYS J1003 " --> pdb=" O ASN J 999 " (cutoff:3.500A) removed outlier: 3.939A pdb=" N ARG J1004 " --> pdb=" O LYS J1000 " (cutoff:3.500A) Processing helix chain 'J' and resid 1006 through 1015 removed outlier: 3.593A pdb=" N SER J1012 " --> pdb=" O PRO J1008 " (cutoff:3.500A) removed outlier: 4.114A pdb=" N LEU J1013 " --> pdb=" O HIS J1009 " (cutoff:3.500A) removed outlier: 4.253A pdb=" N LEU J1015 " --> pdb=" O GLU J1011 " (cutoff:3.500A) Processing helix chain 'K' and resid 1 through 11 removed outlier: 3.626A pdb=" N LEU K 5 " --> pdb=" O MET K 1 " (cutoff:3.500A) removed outlier: 3.601A pdb=" N LEU K 6 " --> pdb=" O ILE K 2 " (cutoff:3.500A) Processing helix chain 'K' and resid 36 through 63 removed outlier: 3.689A pdb=" N SER K 40 " --> pdb=" O PRO K 36 " (cutoff:3.500A) removed outlier: 4.092A pdb=" N VAL K 41 " --> pdb=" O SER K 37 " (cutoff:3.500A) removed outlier: 4.030A pdb=" N LEU K 48 " --> pdb=" O ARG K 44 " (cutoff:3.500A) removed outlier: 3.628A pdb=" N GLY K 49 " --> pdb=" O LEU K 45 " (cutoff:3.500A) Processing helix chain 'K' and resid 83 through 115 removed outlier: 3.873A pdb=" N SER K 95 " --> pdb=" O THR K 91 " (cutoff:3.500A) Proline residue: K 99 - end of helix removed outlier: 3.576A pdb=" N GLN K 109 " --> pdb=" O LEU K 105 " (cutoff:3.500A) Proline residue: K 115 - end of helix Processing helix chain 'K' and resid 118 through 127 removed outlier: 3.662A pdb=" N VAL K 122 " --> pdb=" O SER K 118 " (cutoff:3.500A) Processing helix chain 'K' and resid 128 through 147 removed outlier: 3.816A pdb=" N LEU K 132 " --> pdb=" O GLN K 128 " (cutoff:3.500A) Proline residue: K 134 - end of helix removed outlier: 3.810A pdb=" N VAL K 138 " --> pdb=" O PRO K 134 " (cutoff:3.500A) removed outlier: 3.909A pdb=" N VAL K 139 " --> pdb=" O SER K 135 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N ILE K 143 " --> pdb=" O VAL K 139 " (cutoff:3.500A) Processing helix chain 'K' and resid 150 through 163 removed outlier: 4.465A pdb=" N LEU K 154 " --> pdb=" O GLY K 150 " (cutoff:3.500A) removed outlier: 3.637A pdb=" N GLU K 155 " --> pdb=" O CYS K 151 " (cutoff:3.500A) removed outlier: 3.533A pdb=" N TYR K 158 " --> pdb=" O LEU K 154 " (cutoff:3.500A) removed outlier: 3.671A pdb=" N HIS K 160 " --> pdb=" O THR K 156 " (cutoff:3.500A) removed outlier: 3.973A pdb=" N CYS K 162 " --> pdb=" O TYR K 158 " (cutoff:3.500A) removed outlier: 5.231A pdb=" N GLY K 163 " --> pdb=" O LYS K 159 " (cutoff:3.500A) Processing helix chain 'K' and resid 165 through 188 removed outlier: 3.912A pdb=" N ILE K 175 " --> pdb=" O ALA K 171 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N VAL K 182 " --> pdb=" O VAL K 178 " (cutoff:3.500A) Processing helix chain 'K' and resid 253 through 258 removed outlier: 6.624A pdb=" N PHE K 257 " --> pdb=" O SER K 253 " (cutoff:3.500A) removed outlier: 7.320A pdb=" N SER K 258 " --> pdb=" O LEU K 254 " (cutoff:3.500A) No H-bonds generated for 'chain 'K' and resid 253 through 258' Processing helix chain 'K' and resid 269 through 290 removed outlier: 3.561A pdb=" N ALA K 273 " --> pdb=" O PRO K 269 " (cutoff:3.500A) removed outlier: 4.972A pdb=" N GLN K 289 " --> pdb=" O MET K 285 " (cutoff:3.500A) removed outlier: 5.606A pdb=" N ASN K 290 " --> pdb=" O PHE K 286 " (cutoff:3.500A) Processing helix chain 'K' and resid 303 through 317 Processing helix chain 'K' and resid 321 through 345 Processing helix chain 'K' and resid 349 through 361 removed outlier: 4.001A pdb=" N GLN K 353 " --> pdb=" O ASP K 349 " (cutoff:3.500A) Processing helix chain 'K' and resid 365 through 377 Processing helix chain 'K' and resid 378 through 383 Proline residue: K 383 - end of helix Processing helix chain 'K' and resid 387 through 404 removed outlier: 4.050A pdb=" N ASP K 391 " --> pdb=" O VAL K 387 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N LEU K 404 " --> pdb=" O ALA K 400 " (cutoff:3.500A) Processing helix chain 'K' and resid 409 through 415 removed outlier: 6.727A pdb=" N LEU K 413 " --> pdb=" O ASN K 409 " (cutoff:3.500A) removed outlier: 4.780A pdb=" N LEU K 414 " --> pdb=" O LEU K 410 " (cutoff:3.500A) removed outlier: 5.363A pdb=" N HIS K 415 " --> pdb=" O LEU K 411 " (cutoff:3.500A) No H-bonds generated for 'chain 'K' and resid 409 through 415' Processing helix chain 'K' and resid 448 through 453 removed outlier: 4.552A pdb=" N ALA K 452 " --> pdb=" O SER K 448 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N LEU K 453 " --> pdb=" O GLY K 449 " (cutoff:3.500A) No H-bonds generated for 'chain 'K' and resid 448 through 453' Processing helix chain 'K' and resid 460 through 468 removed outlier: 4.612A pdb=" N ILE K 465 " --> pdb=" O TRP K 461 " (cutoff:3.500A) removed outlier: 5.201A pdb=" N LEU K 466 " --> pdb=" O PRO K 462 " (cutoff:3.500A) Processing helix chain 'K' and resid 469 through 502 removed outlier: 3.551A pdb=" N VAL K 477 " --> pdb=" O GLU K 473 " (cutoff:3.500A) removed outlier: 3.624A pdb=" N VAL K 478 " --> pdb=" O LYS K 474 " (cutoff:3.500A) removed outlier: 3.523A pdb=" N ALA K 490 " --> pdb=" O ARG K 486 " (cutoff:3.500A) Processing helix chain 'K' and resid 509 through 551 removed outlier: 4.324A pdb=" N VAL K 525 " --> pdb=" O MET K 521 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N TYR K 530 " --> pdb=" O ASP K 526 " (cutoff:3.500A) removed outlier: 3.701A pdb=" N SER K 542 " --> pdb=" O GLU K 538 " (cutoff:3.500A) removed outlier: 3.868A pdb=" N GLN K 543 " --> pdb=" O SER K 539 " (cutoff:3.500A) removed outlier: 4.102A pdb=" N THR K 551 " --> pdb=" O GLN K 547 " (cutoff:3.500A) Processing helix chain 'K' and resid 553 through 573 removed outlier: 4.083A pdb=" N ILE K 557 " --> pdb=" O ASP K 553 " (cutoff:3.500A) removed outlier: 3.716A pdb=" N SER K 572 " --> pdb=" O LEU K 568 " (cutoff:3.500A) Processing helix chain 'K' and resid 576 through 601 removed outlier: 3.732A pdb=" N PHE K 580 " --> pdb=" O LEU K 576 " (cutoff:3.500A) removed outlier: 5.054A pdb=" N GLU K 585 " --> pdb=" O HIS K 581 " (cutoff:3.500A) removed outlier: 3.585A pdb=" N CYS K 590 " --> pdb=" O ILE K 586 " (cutoff:3.500A) removed outlier: 4.124A pdb=" N ASN K 600 " --> pdb=" O LEU K 596 " (cutoff:3.500A) removed outlier: 5.197A pdb=" N LEU K 601 " --> pdb=" O VAL K 597 " (cutoff:3.500A) Processing helix chain 'K' and resid 607 through 631 Processing helix chain 'K' and resid 638 through 652 removed outlier: 3.956A pdb=" N LEU K 645 " --> pdb=" O ASP K 641 " (cutoff:3.500A) removed outlier: 4.169A pdb=" N LEU K 646 " --> pdb=" O LEU K 642 " (cutoff:3.500A) removed outlier: 4.204A pdb=" N LEU K 647 " --> pdb=" O ALA K 643 " (cutoff:3.500A) removed outlier: 4.108A pdb=" N ARG K 648 " --> pdb=" O GLN K 644 " (cutoff:3.500A) removed outlier: 4.916A pdb=" N TYR K 651 " --> pdb=" O LEU K 647 " (cutoff:3.500A) Processing helix chain 'K' and resid 189 through 194 Processing helix chain 'L' and resid 351 through 362 removed outlier: 4.688A pdb=" N ASP L 355 " --> pdb=" O GLU L 351 " (cutoff:3.500A) removed outlier: 3.723A pdb=" N VAL L 356 " --> pdb=" O LEU L 352 " (cutoff:3.500A) removed outlier: 4.122A pdb=" N ILE L 361 " --> pdb=" O LEU L 357 " (cutoff:3.500A) removed outlier: 3.996A pdb=" N GLY L 362 " --> pdb=" O ASN L 358 " (cutoff:3.500A) Processing helix chain 'L' and resid 390 through 416 removed outlier: 3.859A pdb=" N SER L 394 " --> pdb=" O PRO L 390 " (cutoff:3.500A) removed outlier: 3.502A pdb=" N VAL L 400 " --> pdb=" O LEU L 396 " (cutoff:3.500A) Processing helix chain 'L' and resid 426 through 450 Processing helix chain 'L' and resid 455 through 478 removed outlier: 3.988A pdb=" N GLY L 460 " --> pdb=" O LEU L 456 " (cutoff:3.500A) removed outlier: 5.054A pdb=" N LYS L 465 " --> pdb=" O PHE L 461 " (cutoff:3.500A) removed outlier: 5.387A pdb=" N LEU L 466 " --> pdb=" O LEU L 462 " (cutoff:3.500A) removed outlier: 3.581A pdb=" N CYS L 477 " --> pdb=" O LEU L 473 " (cutoff:3.500A) removed outlier: 4.631A pdb=" N GLY L 478 " --> pdb=" O ALA L 474 " (cutoff:3.500A) Processing helix chain 'L' and resid 479 through 484 removed outlier: 4.296A pdb=" N LEU L 483 " --> pdb=" O VAL L 479 " (cutoff:3.500A) Proline residue: L 484 - end of helix No H-bonds generated for 'chain 'L' and resid 479 through 484' Processing helix chain 'L' and resid 498 through 513 Processing helix chain 'L' and resid 517 through 541 removed outlier: 4.106A pdb=" N LEU L 521 " --> pdb=" O HIS L 517 " (cutoff:3.500A) removed outlier: 3.632A pdb=" N GLU L 530 " --> pdb=" O LYS L 526 " (cutoff:3.500A) Proline residue: L 531 - end of helix Processing helix chain 'L' and resid 557 through 563 removed outlier: 4.556A pdb=" N LEU L 561 " --> pdb=" O ASN L 557 " (cutoff:3.500A) removed outlier: 3.618A pdb=" N PHE L 563 " --> pdb=" O GLU L 559 " (cutoff:3.500A) Processing helix chain 'L' and resid 564 through 572 removed outlier: 4.845A pdb=" N GLY L 572 " --> pdb=" O TYR L 568 " (cutoff:3.500A) Processing helix chain 'L' and resid 588 through 609 removed outlier: 6.292A pdb=" N ALA L 592 " --> pdb=" O LEU L 588 " (cutoff:3.500A) removed outlier: 4.389A pdb=" N HIS L 593 " --> pdb=" O LYS L 589 " (cutoff:3.500A) removed outlier: 3.820A pdb=" N ASP L 594 " --> pdb=" O HIS L 590 " (cutoff:3.500A) removed outlier: 3.754A pdb=" N TYR L 596 " --> pdb=" O ALA L 592 " (cutoff:3.500A) Processing helix chain 'L' and resid 1415 through 1440 removed outlier: 3.720A pdb=" N TYR L1431 " --> pdb=" O HIS L1427 " (cutoff:3.500A) Proline residue: L1432 - end of helix removed outlier: 4.135A pdb=" N SER L1437 " --> pdb=" O ASP L1433 " (cutoff:3.500A) removed outlier: 3.894A pdb=" N MET L1438 " --> pdb=" O SER L1434 " (cutoff:3.500A) Processing helix chain 'L' and resid 1444 through 1473 removed outlier: 3.589A pdb=" N ARG L1448 " --> pdb=" O ALA L1444 " (cutoff:3.500A) Proline residue: L1449 - end of helix Proline residue: L1452 - end of helix Proline residue: L1458 - end of helix Proline residue: L1461 - end of helix removed outlier: 3.806A pdb=" N ALA L1467 " --> pdb=" O VAL L1463 " (cutoff:3.500A) Processing helix chain 'L' and resid 1474 through 1479 removed outlier: 6.319A pdb=" N LEU L1478 " --> pdb=" O LEU L1474 " (cutoff:3.500A) Processing helix chain 'L' and resid 1484 through 1508 removed outlier: 4.739A pdb=" N ILE L1488 " --> pdb=" O MET L1484 " (cutoff:3.500A) removed outlier: 4.008A pdb=" N THR L1489 " --> pdb=" O LYS L1485 " (cutoff:3.500A) Proline residue: L1491 - end of helix removed outlier: 4.705A pdb=" N ALA L1494 " --> pdb=" O ALA L1490 " (cutoff:3.500A) removed outlier: 3.998A pdb=" N HIS L1495 " --> pdb=" O PRO L1491 " (cutoff:3.500A) Processing helix chain 'L' and resid 1512 through 1524 removed outlier: 3.764A pdb=" N HIS L1516 " --> pdb=" O HIS L1512 " (cutoff:3.500A) Processing helix chain 'L' and resid 1528 through 1544 removed outlier: 3.593A pdb=" N ALA L1532 " --> pdb=" O ASP L1528 " (cutoff:3.500A) removed outlier: 3.509A pdb=" N SER L1536 " --> pdb=" O ALA L1532 " (cutoff:3.500A) removed outlier: 3.697A pdb=" N LEU L1539 " --> pdb=" O LEU L1535 " (cutoff:3.500A) Processing helix chain 'L' and resid 1554 through 1570 removed outlier: 4.752A pdb=" N LEU L1570 " --> pdb=" O LEU L1566 " (cutoff:3.500A) Processing helix chain 'L' and resid 1610 through 1617 removed outlier: 3.603A pdb=" N ILE L1614 " --> pdb=" O TRP L1610 " (cutoff:3.500A) removed outlier: 3.722A pdb=" N VAL L1615 " --> pdb=" O PRO L1611 " (cutoff:3.500A) removed outlier: 4.274A pdb=" N THR L1617 " --> pdb=" O ASN L1613 " (cutoff:3.500A) Processing helix chain 'L' and resid 1618 through 1651 removed outlier: 3.953A pdb=" N GLY L1626 " --> pdb=" O SER L1622 " (cutoff:3.500A) removed outlier: 4.130A pdb=" N VAL L1627 " --> pdb=" O LYS L1623 " (cutoff:3.500A) removed outlier: 3.933A pdb=" N PHE L1628 " --> pdb=" O TYR L1624 " (cutoff:3.500A) removed outlier: 3.544A pdb=" N ALA L1640 " --> pdb=" O LEU L1636 " (cutoff:3.500A) removed outlier: 3.517A pdb=" N LEU L1641 " --> pdb=" O MET L1637 " (cutoff:3.500A) Processing helix chain 'L' and resid 1660 through 1688 removed outlier: 3.795A pdb=" N HIS L1671 " --> pdb=" O GLN L1667 " (cutoff:3.500A) removed outlier: 3.571A pdb=" N VAL L1677 " --> pdb=" O MET L1673 " (cutoff:3.500A) Processing helix chain 'L' and resid 1690 through 1703 removed outlier: 4.371A pdb=" N CYS L1694 " --> pdb=" O HIS L1690 " (cutoff:3.500A) removed outlier: 4.498A pdb=" N GLU L1695 " --> pdb=" O VAL L1691 " (cutoff:3.500A) Processing helix chain 'L' and resid 1705 through 1725 removed outlier: 3.575A pdb=" N ALA L1712 " --> pdb=" O GLU L1708 " (cutoff:3.500A) removed outlier: 3.690A pdb=" N HIS L1713 " --> pdb=" O ILE L1709 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N ALA L1720 " --> pdb=" O TYR L1716 " (cutoff:3.500A) Processing helix chain 'L' and resid 1730 through 1755 removed outlier: 3.824A pdb=" N MET L1734 " --> pdb=" O ALA L1730 " (cutoff:3.500A) removed outlier: 3.580A pdb=" N LEU L1751 " --> pdb=" O PHE L1747 " (cutoff:3.500A) removed outlier: 3.631A pdb=" N ILE L1752 " --> pdb=" O ARG L1748 " (cutoff:3.500A) removed outlier: 5.277A pdb=" N ALA L1755 " --> pdb=" O LEU L1751 " (cutoff:3.500A) Processing helix chain 'L' and resid 1769 through 1798 removed outlier: 3.700A pdb=" N GLN L1775 " --> pdb=" O ALA L1771 " (cutoff:3.500A) removed outlier: 4.082A pdb=" N THR L1792 " --> pdb=" O PHE L1788 " (cutoff:3.500A) removed outlier: 4.061A pdb=" N ARG L1797 " --> pdb=" O LYS L1793 " (cutoff:3.500A) removed outlier: 3.715A pdb=" N GLY L1798 " --> pdb=" O LEU L1794 " (cutoff:3.500A) Processing helix chain 'L' and resid 1800 through 1812 removed outlier: 3.715A pdb=" N GLU L1804 " --> pdb=" O GLN L1800 " (cutoff:3.500A) removed outlier: 3.965A pdb=" N ASP L1805 " --> pdb=" O PRO L1801 " (cutoff:3.500A) removed outlier: 3.560A pdb=" N PHE L1812 " --> pdb=" O LEU L1808 " (cutoff:3.500A) Processing sheet with id= 1, first strand: chain '1' and resid 52 through 55 removed outlier: 3.592A pdb=" N ILE 1 61 " --> pdb=" O TYR 1 53 " (cutoff:3.500A) removed outlier: 3.962A pdb=" N HIS 1 59 " --> pdb=" O ALA 1 55 " (cutoff:3.500A) Processing sheet with id= 2, first strand: chain '1' and resid 63 through 67 removed outlier: 5.263A pdb=" N ARG 1 63 " --> pdb=" O ILE 1 5 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N CYS 1 138 " --> pdb=" O LEU 1 8 " (cutoff:3.500A) removed outlier: 4.172A pdb=" N LEU 1 10 " --> pdb=" O CYS 1 138 " (cutoff:3.500A) removed outlier: 6.064A pdb=" N HIS 1 267 " --> pdb=" O ASP 1 200 " (cutoff:3.500A) removed outlier: 4.659A pdb=" N THR 1 271 " --> pdb=" O VAL 1 204 " (cutoff:3.500A) removed outlier: 6.673A pdb=" N GLY 1 375 " --> pdb=" O THR 1 274 " (cutoff:3.500A) removed outlier: 3.601A pdb=" N SER 1 374 " --> pdb=" O GLN 1 325 " (cutoff:3.500A) removed outlier: 3.784A pdb=" N ALA 1 319 " --> pdb=" O ASN 1 380 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N GLN 1 357 " --> pdb=" O ILE 1 320 " (cutoff:3.500A) removed outlier: 3.917A pdb=" N GLY 1 326 " --> pdb=" O SER 1 361 " (cutoff:3.500A) Processing sheet with id= 3, first strand: chain '2' and resid 52 through 55 removed outlier: 4.187A pdb=" N HIS 2 59 " --> pdb=" O ALA 2 55 " (cutoff:3.500A) Processing sheet with id= 4, first strand: chain '2' and resid 63 through 67 removed outlier: 5.372A pdb=" N ARG 2 63 " --> pdb=" O ILE 2 5 " (cutoff:3.500A) removed outlier: 3.700A pdb=" N CYS 2 138 " --> pdb=" O LEU 2 8 " (cutoff:3.500A) removed outlier: 4.173A pdb=" N LEU 2 10 " --> pdb=" O CYS 2 138 " (cutoff:3.500A) removed outlier: 6.510A pdb=" N HIS 2 267 " --> pdb=" O ASP 2 200 " (cutoff:3.500A) removed outlier: 4.659A pdb=" N THR 2 271 " --> pdb=" O VAL 2 204 " (cutoff:3.500A) removed outlier: 6.631A pdb=" N GLY 2 375 " --> pdb=" O THR 2 274 " (cutoff:3.500A) removed outlier: 3.538A pdb=" N SER 2 374 " --> pdb=" O GLN 2 325 " (cutoff:3.500A) removed outlier: 3.794A pdb=" N GLN 2 325 " --> pdb=" O SER 2 374 " (cutoff:3.500A) removed outlier: 3.785A pdb=" N ALA 2 319 " --> pdb=" O ASN 2 380 " (cutoff:3.500A) removed outlier: 3.672A pdb=" N GLN 2 357 " --> pdb=" O ILE 2 320 " (cutoff:3.500A) removed outlier: 3.919A pdb=" N GLY 2 326 " --> pdb=" O SER 2 361 " (cutoff:3.500A) Processing sheet with id= 5, first strand: chain 'O' and resid 52 through 55 removed outlier: 4.188A pdb=" N HIS O 59 " --> pdb=" O ALA O 55 " (cutoff:3.500A) Processing sheet with id= 6, first strand: chain 'O' and resid 63 through 67 removed outlier: 5.373A pdb=" N ARG O 63 " --> pdb=" O ILE O 5 " (cutoff:3.500A) removed outlier: 3.700A pdb=" N CYS O 138 " --> pdb=" O LEU O 8 " (cutoff:3.500A) removed outlier: 4.173A pdb=" N LEU O 10 " --> pdb=" O CYS O 138 " (cutoff:3.500A) removed outlier: 6.065A pdb=" N HIS O 267 " --> pdb=" O ASP O 200 " (cutoff:3.500A) removed outlier: 4.657A pdb=" N THR O 271 " --> pdb=" O VAL O 204 " (cutoff:3.500A) removed outlier: 6.631A pdb=" N GLY O 375 " --> pdb=" O THR O 274 " (cutoff:3.500A) removed outlier: 3.601A pdb=" N SER O 374 " --> pdb=" O GLN O 325 " (cutoff:3.500A) removed outlier: 3.785A pdb=" N ALA O 319 " --> pdb=" O ASN O 380 " (cutoff:3.500A) removed outlier: 3.917A pdb=" N GLY O 326 " --> pdb=" O SER O 361 " (cutoff:3.500A) Processing sheet with id= 7, first strand: chain 'P' and resid 52 through 55 removed outlier: 3.919A pdb=" N HIS P 59 " --> pdb=" O ALA P 55 " (cutoff:3.500A) Processing sheet with id= 8, first strand: chain 'P' and resid 63 through 67 removed outlier: 5.130A pdb=" N ARG P 63 " --> pdb=" O ILE P 5 " (cutoff:3.500A) removed outlier: 3.654A pdb=" N VAL P 136 " --> pdb=" O ILE P 6 " (cutoff:3.500A) removed outlier: 3.700A pdb=" N CYS P 138 " --> pdb=" O LEU P 8 " (cutoff:3.500A) removed outlier: 4.173A pdb=" N LEU P 10 " --> pdb=" O CYS P 138 " (cutoff:3.500A) removed outlier: 6.065A pdb=" N HIS P 267 " --> pdb=" O ASP P 200 " (cutoff:3.500A) removed outlier: 4.656A pdb=" N THR P 271 " --> pdb=" O VAL P 204 " (cutoff:3.500A) removed outlier: 6.817A pdb=" N GLY P 375 " --> pdb=" O THR P 274 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N SER P 374 " --> pdb=" O GLN P 325 " (cutoff:3.500A) removed outlier: 3.839A pdb=" N GLY P 326 " --> pdb=" O SER P 361 " (cutoff:3.500A) Processing sheet with id= 9, first strand: chain 'Q' and resid 52 through 55 removed outlier: 3.782A pdb=" N ALA Q 55 " --> pdb=" O HIS Q 59 " (cutoff:3.500A) removed outlier: 4.332A pdb=" N HIS Q 59 " --> pdb=" O ALA Q 55 " (cutoff:3.500A) Processing sheet with id= 10, first strand: chain 'Q' and resid 63 through 67 removed outlier: 5.373A pdb=" N ARG Q 63 " --> pdb=" O ILE Q 5 " (cutoff:3.500A) removed outlier: 3.700A pdb=" N CYS Q 138 " --> pdb=" O LEU Q 8 " (cutoff:3.500A) removed outlier: 4.172A pdb=" N LEU Q 10 " --> pdb=" O CYS Q 138 " (cutoff:3.500A) removed outlier: 6.139A pdb=" N HIS Q 267 " --> pdb=" O ASP Q 200 " (cutoff:3.500A) removed outlier: 4.658A pdb=" N THR Q 271 " --> pdb=" O VAL Q 204 " (cutoff:3.500A) removed outlier: 6.545A pdb=" N GLY Q 375 " --> pdb=" O THR Q 274 " (cutoff:3.500A) removed outlier: 3.601A pdb=" N SER Q 374 " --> pdb=" O GLN Q 325 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ALA Q 319 " --> pdb=" O ASN Q 380 " (cutoff:3.500A) removed outlier: 3.918A pdb=" N GLY Q 326 " --> pdb=" O SER Q 361 " (cutoff:3.500A) Processing sheet with id= 11, first strand: chain 'R' and resid 52 through 55 removed outlier: 4.188A pdb=" N HIS R 59 " --> pdb=" O ALA R 55 " (cutoff:3.500A) Processing sheet with id= 12, first strand: chain 'R' and resid 63 through 67 removed outlier: 5.373A pdb=" N ARG R 63 " --> pdb=" O ILE R 5 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N CYS R 138 " --> pdb=" O LEU R 8 " (cutoff:3.500A) removed outlier: 4.173A pdb=" N LEU R 10 " --> pdb=" O CYS R 138 " (cutoff:3.500A) removed outlier: 5.634A pdb=" N HIS R 267 " --> pdb=" O ASP R 200 " (cutoff:3.500A) removed outlier: 5.068A pdb=" N THR R 271 " --> pdb=" O VAL R 204 " (cutoff:3.500A) removed outlier: 6.723A pdb=" N GLY R 375 " --> pdb=" O THR R 274 " (cutoff:3.500A) removed outlier: 3.602A pdb=" N SER R 374 " --> pdb=" O GLN R 325 " (cutoff:3.500A) removed outlier: 3.784A pdb=" N ALA R 319 " --> pdb=" O ASN R 380 " (cutoff:3.500A) removed outlier: 3.918A pdb=" N GLY R 326 " --> pdb=" O SER R 361 " (cutoff:3.500A) Processing sheet with id= 13, first strand: chain 'S' and resid 52 through 55 removed outlier: 4.189A pdb=" N HIS S 59 " --> pdb=" O ALA S 55 " (cutoff:3.500A) Processing sheet with id= 14, first strand: chain 'S' and resid 63 through 67 removed outlier: 5.688A pdb=" N ARG S 63 " --> pdb=" O ILE S 5 " (cutoff:3.500A) removed outlier: 3.621A pdb=" N CYS S 138 " --> pdb=" O LEU S 8 " (cutoff:3.500A) removed outlier: 3.936A pdb=" N CYS S 201 " --> pdb=" O VAL S 166 " (cutoff:3.500A) removed outlier: 3.980A pdb=" N THR S 168 " --> pdb=" O CYS S 201 " (cutoff:3.500A) removed outlier: 6.255A pdb=" N HIS S 267 " --> pdb=" O ASP S 200 " (cutoff:3.500A) removed outlier: 4.657A pdb=" N THR S 271 " --> pdb=" O VAL S 204 " (cutoff:3.500A) removed outlier: 7.151A pdb=" N GLY S 375 " --> pdb=" O THR S 274 " (cutoff:3.500A) removed outlier: 3.625A pdb=" N ALA S 319 " --> pdb=" O ASN S 380 " (cutoff:3.500A) removed outlier: 3.665A pdb=" N GLY S 326 " --> pdb=" O SER S 361 " (cutoff:3.500A) Processing sheet with id= 15, first strand: chain 'T' and resid 52 through 55 removed outlier: 3.568A pdb=" N ILE T 61 " --> pdb=" O TYR T 53 " (cutoff:3.500A) removed outlier: 4.599A pdb=" N HIS T 59 " --> pdb=" O ALA T 55 " (cutoff:3.500A) Processing sheet with id= 16, first strand: chain 'T' and resid 63 through 67 removed outlier: 5.108A pdb=" N ARG T 63 " --> pdb=" O ILE T 5 " (cutoff:3.500A) removed outlier: 3.522A pdb=" N ILE T 6 " --> pdb=" O GLY T 134 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N CYS T 138 " --> pdb=" O LEU T 8 " (cutoff:3.500A) removed outlier: 4.554A pdb=" N LEU T 10 " --> pdb=" O CYS T 138 " (cutoff:3.500A) removed outlier: 5.975A pdb=" N HIS T 267 " --> pdb=" O ASP T 200 " (cutoff:3.500A) removed outlier: 4.658A pdb=" N THR T 271 " --> pdb=" O VAL T 204 " (cutoff:3.500A) removed outlier: 6.632A pdb=" N GLY T 375 " --> pdb=" O THR T 274 " (cutoff:3.500A) removed outlier: 3.601A pdb=" N SER T 374 " --> pdb=" O GLN T 325 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ALA T 319 " --> pdb=" O ASN T 380 " (cutoff:3.500A) removed outlier: 3.917A pdb=" N GLY T 326 " --> pdb=" O SER T 361 " (cutoff:3.500A) Processing sheet with id= 17, first strand: chain 'U' and resid 52 through 55 removed outlier: 4.180A pdb=" N HIS U 59 " --> pdb=" O ALA U 55 " (cutoff:3.500A) Processing sheet with id= 18, first strand: chain 'U' and resid 63 through 67 removed outlier: 5.322A pdb=" N ARG U 63 " --> pdb=" O ILE U 5 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N CYS U 138 " --> pdb=" O LEU U 8 " (cutoff:3.500A) removed outlier: 4.173A pdb=" N LEU U 10 " --> pdb=" O CYS U 138 " (cutoff:3.500A) removed outlier: 6.064A pdb=" N HIS U 267 " --> pdb=" O ASP U 200 " (cutoff:3.500A) removed outlier: 4.658A pdb=" N THR U 271 " --> pdb=" O VAL U 204 " (cutoff:3.500A) removed outlier: 6.674A pdb=" N GLY U 375 " --> pdb=" O THR U 274 " (cutoff:3.500A) removed outlier: 3.602A pdb=" N SER U 374 " --> pdb=" O GLN U 325 " (cutoff:3.500A) removed outlier: 3.784A pdb=" N ALA U 319 " --> pdb=" O ASN U 380 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N GLN U 357 " --> pdb=" O ILE U 320 " (cutoff:3.500A) removed outlier: 3.916A pdb=" N GLY U 326 " --> pdb=" O SER U 361 " (cutoff:3.500A) Processing sheet with id= 19, first strand: chain 'V' and resid 52 through 55 removed outlier: 4.187A pdb=" N HIS V 59 " --> pdb=" O ALA V 55 " (cutoff:3.500A) Processing sheet with id= 20, first strand: chain 'V' and resid 63 through 67 removed outlier: 5.372A pdb=" N ARG V 63 " --> pdb=" O ILE V 5 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N CYS V 138 " --> pdb=" O LEU V 8 " (cutoff:3.500A) removed outlier: 4.173A pdb=" N LEU V 10 " --> pdb=" O CYS V 138 " (cutoff:3.500A) removed outlier: 6.510A pdb=" N HIS V 267 " --> pdb=" O ASP V 200 " (cutoff:3.500A) removed outlier: 4.658A pdb=" N THR V 271 " --> pdb=" O VAL V 204 " (cutoff:3.500A) removed outlier: 6.797A pdb=" N GLY V 375 " --> pdb=" O THR V 274 " (cutoff:3.500A) removed outlier: 3.785A pdb=" N ALA V 319 " --> pdb=" O ASN V 380 " (cutoff:3.500A) removed outlier: 3.672A pdb=" N GLN V 357 " --> pdb=" O ILE V 320 " (cutoff:3.500A) removed outlier: 3.917A pdb=" N GLY V 326 " --> pdb=" O SER V 361 " (cutoff:3.500A) Processing sheet with id= 21, first strand: chain 'W' and resid 52 through 55 removed outlier: 4.754A pdb=" N HIS W 59 " --> pdb=" O ALA W 55 " (cutoff:3.500A) Processing sheet with id= 22, first strand: chain 'W' and resid 63 through 67 removed outlier: 5.606A pdb=" N ARG W 63 " --> pdb=" O ILE W 5 " (cutoff:3.500A) removed outlier: 3.700A pdb=" N CYS W 138 " --> pdb=" O LEU W 8 " (cutoff:3.500A) removed outlier: 4.172A pdb=" N LEU W 10 " --> pdb=" O CYS W 138 " (cutoff:3.500A) removed outlier: 5.857A pdb=" N HIS W 267 " --> pdb=" O ASP W 200 " (cutoff:3.500A) removed outlier: 4.657A pdb=" N THR W 271 " --> pdb=" O VAL W 204 " (cutoff:3.500A) removed outlier: 6.584A pdb=" N GLY W 375 " --> pdb=" O THR W 274 " (cutoff:3.500A) removed outlier: 3.600A pdb=" N SER W 374 " --> pdb=" O GLN W 325 " (cutoff:3.500A) removed outlier: 3.785A pdb=" N ALA W 319 " --> pdb=" O ASN W 380 " (cutoff:3.500A) removed outlier: 3.916A pdb=" N GLY W 326 " --> pdb=" O SER W 361 " (cutoff:3.500A) Processing sheet with id= 23, first strand: chain 'X' and resid 52 through 55 removed outlier: 5.157A pdb=" N ALA X 55 " --> pdb=" O HIS X 59 " (cutoff:3.500A) removed outlier: 5.893A pdb=" N HIS X 59 " --> pdb=" O ALA X 55 " (cutoff:3.500A) Processing sheet with id= 24, first strand: chain 'X' and resid 63 through 67 removed outlier: 5.021A pdb=" N ARG X 63 " --> pdb=" O ILE X 5 " (cutoff:3.500A) removed outlier: 3.573A pdb=" N LEU X 67 " --> pdb=" O GLN X 9 " (cutoff:3.500A) removed outlier: 3.723A pdb=" N CYS X 138 " --> pdb=" O LEU X 8 " (cutoff:3.500A) removed outlier: 4.365A pdb=" N LEU X 10 " --> pdb=" O CYS X 138 " (cutoff:3.500A) removed outlier: 3.904A pdb=" N PHE X 135 " --> pdb=" O LEU X 165 " (cutoff:3.500A) removed outlier: 3.768A pdb=" N GLN X 167 " --> pdb=" O PHE X 135 " (cutoff:3.500A) removed outlier: 3.646A pdb=" N LEU X 137 " --> pdb=" O GLN X 167 " (cutoff:3.500A) removed outlier: 6.065A pdb=" N HIS X 267 " --> pdb=" O ASP X 200 " (cutoff:3.500A) removed outlier: 4.657A pdb=" N THR X 271 " --> pdb=" O VAL X 204 " (cutoff:3.500A) removed outlier: 6.630A pdb=" N GLY X 375 " --> pdb=" O THR X 274 " (cutoff:3.500A) removed outlier: 3.602A pdb=" N SER X 374 " --> pdb=" O GLN X 325 " (cutoff:3.500A) removed outlier: 3.785A pdb=" N ALA X 319 " --> pdb=" O ASN X 380 " (cutoff:3.500A) removed outlier: 3.917A pdb=" N GLY X 326 " --> pdb=" O SER X 361 " (cutoff:3.500A) Processing sheet with id= 25, first strand: chain 'Y' and resid 52 through 55 removed outlier: 3.685A pdb=" N ILE Y 61 " --> pdb=" O TYR Y 53 " (cutoff:3.500A) removed outlier: 4.010A pdb=" N HIS Y 59 " --> pdb=" O ALA Y 55 " (cutoff:3.500A) Processing sheet with id= 26, first strand: chain 'Y' and resid 63 through 67 removed outlier: 5.264A pdb=" N ARG Y 63 " --> pdb=" O ILE Y 5 " (cutoff:3.500A) removed outlier: 3.700A pdb=" N CYS Y 138 " --> pdb=" O LEU Y 8 " (cutoff:3.500A) removed outlier: 4.171A pdb=" N LEU Y 10 " --> pdb=" O CYS Y 138 " (cutoff:3.500A) removed outlier: 6.065A pdb=" N HIS Y 267 " --> pdb=" O ASP Y 200 " (cutoff:3.500A) removed outlier: 4.657A pdb=" N THR Y 271 " --> pdb=" O VAL Y 204 " (cutoff:3.500A) removed outlier: 6.632A pdb=" N GLY Y 375 " --> pdb=" O THR Y 274 " (cutoff:3.500A) removed outlier: 3.601A pdb=" N SER Y 374 " --> pdb=" O GLN Y 325 " (cutoff:3.500A) removed outlier: 3.777A pdb=" N ALA Y 319 " --> pdb=" O ASN Y 380 " (cutoff:3.500A) removed outlier: 4.094A pdb=" N GLN Y 357 " --> pdb=" O ILE Y 320 " (cutoff:3.500A) removed outlier: 3.694A pdb=" N ASN Y 322 " --> pdb=" O GLN Y 357 " (cutoff:3.500A) removed outlier: 4.336A pdb=" N GLY Y 326 " --> pdb=" O SER Y 361 " (cutoff:3.500A) Processing sheet with id= 27, first strand: chain 'Z' and resid 52 through 55 removed outlier: 4.188A pdb=" N HIS Z 59 " --> pdb=" O ALA Z 55 " (cutoff:3.500A) Processing sheet with id= 28, first strand: chain 'Z' and resid 63 through 67 removed outlier: 5.372A pdb=" N ARG Z 63 " --> pdb=" O ILE Z 5 " (cutoff:3.500A) removed outlier: 3.700A pdb=" N CYS Z 138 " --> pdb=" O LEU Z 8 " (cutoff:3.500A) removed outlier: 4.172A pdb=" N LEU Z 10 " --> pdb=" O CYS Z 138 " (cutoff:3.500A) removed outlier: 6.353A pdb=" N HIS Z 267 " --> pdb=" O ASP Z 200 " (cutoff:3.500A) removed outlier: 4.597A pdb=" N THR Z 271 " --> pdb=" O VAL Z 204 " (cutoff:3.500A) removed outlier: 6.422A pdb=" N GLY Z 375 " --> pdb=" O THR Z 274 " (cutoff:3.500A) removed outlier: 3.565A pdb=" N SER Z 374 " --> pdb=" O GLN Z 325 " (cutoff:3.500A) removed outlier: 3.784A pdb=" N ALA Z 319 " --> pdb=" O ASN Z 380 " (cutoff:3.500A) Processing sheet with id= 29, first strand: chain '7' and resid 51 through 54 removed outlier: 8.325A pdb=" N ASP 7 51 " --> pdb=" O PRO 7 38 " (cutoff:3.500A) removed outlier: 4.159A pdb=" N MET 7 16 " --> pdb=" O GLY 7 13 " (cutoff:3.500A) removed outlier: 3.681A pdb=" N THR 7 106 " --> pdb=" O VAL 7 10 " (cutoff:3.500A) removed outlier: 6.464A pdb=" N ASN 7 12 " --> pdb=" O THR 7 106 " (cutoff:3.500A) Processing sheet with id= 30, first strand: chain '7' and resid 150 through 155 Processing sheet with id= 31, first strand: chain '7' and resid 33 through 38 No H-bonds generated for sheet with id= 31 Processing sheet with id= 32, first strand: chain 'A' and resid 572 through 576 removed outlier: 6.100A pdb=" N ASP A 572 " --> pdb=" O ILE A 621 " (cutoff:3.500A) removed outlier: 3.501A pdb=" N ASP A 619 " --> pdb=" O LYS A 574 " (cutoff:3.500A) removed outlier: 3.573A pdb=" N SER A 617 " --> pdb=" O ASP A 576 " (cutoff:3.500A) Processing sheet with id= 33, first strand: chain 'C' and resid 408 through 412 removed outlier: 5.865A pdb=" N MET C 408 " --> pdb=" O VAL C 435 " (cutoff:3.500A) removed outlier: 5.193A pdb=" N ARG C 431 " --> pdb=" O HIS C 412 " (cutoff:3.500A) Processing sheet with id= 34, first strand: chain 'D' and resid 447 through 451 removed outlier: 5.477A pdb=" N PHE D 447 " --> pdb=" O ARG D 467 " (cutoff:3.500A) removed outlier: 4.229A pdb=" N THR D 465 " --> pdb=" O ALA D 449 " (cutoff:3.500A) removed outlier: 6.281A pdb=" N LYS D 463 " --> pdb=" O ASP D 451 " (cutoff:3.500A) Processing sheet with id= 35, first strand: chain 'E' and resid 233 through 236 No H-bonds generated for sheet with id= 35 Processing sheet with id= 36, first strand: chain 'E' and resid 572 through 578 removed outlier: 6.293A pdb=" N ASP E 572 " --> pdb=" O ILE E 621 " (cutoff:3.500A) removed outlier: 3.897A pdb=" N ILE E 621 " --> pdb=" O ASP E 572 " (cutoff:3.500A) removed outlier: 3.920A pdb=" N MET E 578 " --> pdb=" O ALA E 615 " (cutoff:3.500A) removed outlier: 6.340A pdb=" N ALA E 615 " --> pdb=" O MET E 578 " (cutoff:3.500A) Processing sheet with id= 37, first strand: chain 'F' and resid 448 through 451 removed outlier: 3.532A pdb=" N ALA F 449 " --> pdb=" O THR F 465 " (cutoff:3.500A) removed outlier: 3.966A pdb=" N THR F 465 " --> pdb=" O ALA F 449 " (cutoff:3.500A) removed outlier: 4.808A pdb=" N LYS F 463 " --> pdb=" O ASP F 451 " (cutoff:3.500A) Processing sheet with id= 38, first strand: chain 'G' and resid 233 through 236 removed outlier: 4.864A pdb=" N THR G 245 " --> pdb=" O GLN G 236 " (cutoff:3.500A) Processing sheet with id= 39, first strand: chain 'G' and resid 409 through 412 removed outlier: 5.369A pdb=" N ARG G 431 " --> pdb=" O HIS G 412 " (cutoff:3.500A) Processing sheet with id= 40, first strand: chain 'G' and resid 573 through 578 removed outlier: 5.062A pdb=" N ALA G 615 " --> pdb=" O MET G 578 " (cutoff:3.500A) Processing sheet with id= 41, first strand: chain 'M' and resid 233 through 236 removed outlier: 4.864A pdb=" N THR M 245 " --> pdb=" O GLN M 236 " (cutoff:3.500A) Processing sheet with id= 42, first strand: chain 'M' and resid 409 through 412 removed outlier: 5.369A pdb=" N ARG M 431 " --> pdb=" O HIS M 412 " (cutoff:3.500A) Processing sheet with id= 43, first strand: chain 'M' and resid 573 through 578 removed outlier: 4.957A pdb=" N ALA M 615 " --> pdb=" O MET M 578 " (cutoff:3.500A) Processing sheet with id= 44, first strand: chain 'H' and resid 447 through 451 removed outlier: 6.035A pdb=" N PHE H 447 " --> pdb=" O ARG H 467 " (cutoff:3.500A) removed outlier: 4.101A pdb=" N THR H 465 " --> pdb=" O ALA H 449 " (cutoff:3.500A) removed outlier: 5.706A pdb=" N LYS H 463 " --> pdb=" O ASP H 451 " (cutoff:3.500A) Processing sheet with id= 45, first strand: chain 'N' and resid 447 through 451 removed outlier: 6.036A pdb=" N PHE N 447 " --> pdb=" O ARG N 467 " (cutoff:3.500A) removed outlier: 4.101A pdb=" N THR N 465 " --> pdb=" O ALA N 449 " (cutoff:3.500A) removed outlier: 5.705A pdb=" N LYS N 463 " --> pdb=" O ASP N 451 " (cutoff:3.500A) Processing sheet with id= 46, first strand: chain 'I' and resid 411 through 416 removed outlier: 6.917A pdb=" N LEU I 411 " --> pdb=" O LYS I 458 " (cutoff:3.500A) removed outlier: 4.810A pdb=" N LYS I 458 " --> pdb=" O LEU I 411 " (cutoff:3.500A) removed outlier: 3.578A pdb=" N LEU I 413 " --> pdb=" O SER I 456 " (cutoff:3.500A) removed outlier: 3.501A pdb=" N GLY I 454 " --> pdb=" O HIS I 415 " (cutoff:3.500A) Processing sheet with id= 47, first strand: chain 'K' and resid 17 through 20 Processing sheet with id= 48, first strand: chain 'L' and resid 366 through 369 No H-bonds generated for sheet with id= 48 Processing sheet with id= 49, first strand: chain 'L' and resid 1579 through 1585 removed outlier: 6.197A pdb=" N ASN L1579 " --> pdb=" O LYS L1607 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N LYS L1607 " --> pdb=" O ASN L1579 " (cutoff:3.500A) removed outlier: 7.095A pdb=" N CYS L1601 " --> pdb=" O LYS L1585 " (cutoff:3.500A) 6119 hydrogen bonds defined for protein. 18336 hydrogen bond angles defined for protein. Restraints generated for nucleic acids: 0 hydrogen bonds 0 hydrogen bond angles 0 basepair planarities 0 basepair parallelities 0 stacking parallelities Total time for adding SS restraints: 47.71 Time building geometry restraints manager: 36.16 seconds NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Histogram of bond lengths: 1.13 - 1.27: 19737 1.27 - 1.41: 31205 1.41 - 1.55: 71297 1.55 - 1.69: 82 1.69 - 1.83: 964 Bond restraints: 123285 Sorted by residual: bond pdb=" C PRO L1575 " pdb=" O PRO L1575 " ideal model delta sigma weight residual 1.238 1.129 0.109 1.24e-02 6.50e+03 7.66e+01 bond pdb=" C CYS S 201 " pdb=" N VAL S 202 " ideal model delta sigma weight residual 1.331 1.435 -0.105 1.29e-02 6.01e+03 6.57e+01 bond pdb=" C HIS X 436 " pdb=" N ALA X 437 " ideal model delta sigma weight residual 1.334 1.446 -0.112 1.43e-02 4.89e+03 6.15e+01 bond pdb=" C LYS 3 57 " pdb=" O LYS 3 57 " ideal model delta sigma weight residual 1.236 1.152 0.084 1.16e-02 7.43e+03 5.29e+01 bond pdb=" C LEU H 459 " pdb=" O LEU H 459 " ideal model delta sigma weight residual 1.236 1.151 0.084 1.18e-02 7.18e+03 5.10e+01 ... (remaining 123280 not shown) Histogram of bond angle deviations from ideal: 98.17 - 106.07: 4445 106.07 - 113.96: 63555 113.96 - 121.86: 68389 121.86 - 129.76: 29674 129.76 - 137.66: 863 Bond angle restraints: 166926 Sorted by residual: angle pdb=" N ILE 3 20 " pdb=" CA ILE 3 20 " pdb=" C ILE 3 20 " ideal model delta sigma weight residual 110.53 99.80 10.73 9.40e-01 1.13e+00 1.30e+02 angle pdb=" N ILE M 516 " pdb=" CA ILE M 516 " pdb=" C ILE M 516 " ideal model delta sigma weight residual 111.81 102.03 9.78 8.60e-01 1.35e+00 1.29e+02 angle pdb=" N ILE G 516 " pdb=" CA ILE G 516 " pdb=" C ILE G 516 " ideal model delta sigma weight residual 111.81 102.05 9.76 8.60e-01 1.35e+00 1.29e+02 angle pdb=" N TYR V 443 " pdb=" CA TYR V 443 " pdb=" C TYR V 443 " ideal model delta sigma weight residual 113.18 99.58 13.60 1.21e+00 6.83e-01 1.26e+02 angle pdb=" N TYR 2 443 " pdb=" CA TYR 2 443 " pdb=" C TYR 2 443 " ideal model delta sigma weight residual 113.18 99.62 13.56 1.21e+00 6.83e-01 1.26e+02 ... (remaining 166921 not shown) Histogram of dihedral angle deviations from ideal: 0.00 - 18.18: 65288 18.18 - 36.35: 6559 36.35 - 54.53: 1699 54.53 - 72.70: 421 72.70 - 90.88: 218 Dihedral angle restraints: 74185 sinusoidal: 30088 harmonic: 44097 Sorted by residual: dihedral pdb=" C HIS K 200 " pdb=" N HIS K 200 " pdb=" CA HIS K 200 " pdb=" CB HIS K 200 " ideal model delta harmonic sigma weight residual -122.60 -138.68 16.08 0 2.50e+00 1.60e-01 4.14e+01 dihedral pdb=" C GLU 5 66 " pdb=" N GLU 5 66 " pdb=" CA GLU 5 66 " pdb=" CB GLU 5 66 " ideal model delta harmonic sigma weight residual -122.60 -138.02 15.42 0 2.50e+00 1.60e-01 3.80e+01 dihedral pdb=" C GLU J 355 " pdb=" N GLU J 355 " pdb=" CA GLU J 355 " pdb=" CB GLU J 355 " ideal model delta harmonic sigma weight residual -122.60 -137.36 14.76 0 2.50e+00 1.60e-01 3.48e+01 ... (remaining 74182 not shown) Histogram of chiral volume deviations from ideal: 0.000 - 0.106: 12052 0.106 - 0.213: 5518 0.213 - 0.319: 1068 0.319 - 0.426: 105 0.426 - 0.532: 25 Chirality restraints: 18768 Sorted by residual: chirality pdb=" CA HIS K 200 " pdb=" N HIS K 200 " pdb=" C HIS K 200 " pdb=" CB HIS K 200 " both_signs ideal model delta sigma weight residual False 2.51 1.98 0.53 2.00e-01 2.50e+01 7.07e+00 chirality pdb=" CA GLU J 355 " pdb=" N GLU J 355 " pdb=" C GLU J 355 " pdb=" CB GLU J 355 " both_signs ideal model delta sigma weight residual False 2.51 1.99 0.52 2.00e-01 2.50e+01 6.73e+00 chirality pdb=" CA GLU 5 66 " pdb=" N GLU 5 66 " pdb=" C GLU 5 66 " pdb=" CB GLU 5 66 " both_signs ideal model delta sigma weight residual False 2.51 1.99 0.52 2.00e-01 2.50e+01 6.69e+00 ... (remaining 18765 not shown) Planarity restraints: 21306 Sorted by residual: delta sigma weight rms_deltas residual plane pdb=" CA GLN E 373 " -0.027 2.00e-02 2.50e+03 5.36e-02 2.87e+01 pdb=" C GLN E 373 " 0.093 2.00e-02 2.50e+03 pdb=" O GLN E 373 " -0.034 2.00e-02 2.50e+03 pdb=" N GLU E 374 " -0.032 2.00e-02 2.50e+03 delta sigma weight rms_deltas residual plane pdb=" CA GLN H 259 " 0.026 2.00e-02 2.50e+03 5.34e-02 2.85e+01 pdb=" C GLN H 259 " -0.092 2.00e-02 2.50e+03 pdb=" O GLN H 259 " 0.034 2.00e-02 2.50e+03 pdb=" N GLY H 260 " 0.032 2.00e-02 2.50e+03 delta sigma weight rms_deltas residual plane pdb=" CA GLN N 259 " -0.025 2.00e-02 2.50e+03 5.33e-02 2.84e+01 pdb=" C GLN N 259 " 0.092 2.00e-02 2.50e+03 pdb=" O GLN N 259 " -0.034 2.00e-02 2.50e+03 pdb=" N GLY N 260 " -0.032 2.00e-02 2.50e+03 ... (remaining 21303 not shown) Histogram of nonbonded interaction distances: 1.85 - 2.46: 84 2.46 - 3.07: 79888 3.07 - 3.68: 185421 3.68 - 4.29: 265219 4.29 - 4.90: 420556 Nonbonded interactions: 951168 Sorted by model distance: nonbonded pdb=" OD1 ASP W 56 " pdb=" N ASP W 57 " model vdw 1.851 2.520 nonbonded pdb=" CE1 PHE A 758 " pdb=" CG MET A 762 " model vdw 2.220 3.740 nonbonded pdb=" NH2 ARG 3 105 " pdb=" OE1 GLN 3 107 " model vdw 2.224 2.520 nonbonded pdb=" O ILE A 188 " pdb=" NH1 ARG B 293 " model vdw 2.230 2.520 nonbonded pdb=" N ILE 3 93 " pdb=" O ILE 3 93 " model vdw 2.263 2.496 ... (remaining 951163 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 '1' and (resid 3 through 38 or resid 40 through 447 or resid 1501)) selection = (chain '2' and (resid 3 through 38 or resid 40 through 447 or resid 1501)) selection = (chain 'O' and (resid 3 through 38 or resid 40 through 447 or resid 1501)) selection = (chain 'P' and (resid 3 through 38 or resid 40 through 447 or resid 1501)) selection = (chain 'Q' and (resid 3 through 38 or resid 40 through 447 or resid 1501)) selection = (chain 'R' and (resid 3 through 38 or resid 40 through 447 or resid 1501)) selection = (chain 'S' and (resid 3 through 38 or resid 40 through 447 or resid 1501)) selection = (chain 'T' and (resid 3 through 38 or resid 40 through 447 or resid 1501)) selection = (chain 'U' and (resid 3 through 38 or resid 40 through 447 or resid 1501)) selection = (chain 'V' and (resid 3 through 38 or resid 40 through 447 or resid 1501)) selection = (chain 'W' and (resid 3 through 38 or resid 40 through 447 or resid 1501)) selection = (chain 'X' and (resid 3 through 38 or resid 40 through 447 or resid 1501)) selection = (chain 'Y' and (resid 3 through 38 or resid 40 through 447 or resid 1501)) selection = (chain 'Z' and (resid 3 through 38 or resid 40 through 447 or resid 1501)) } ncs_group { reference = chain '5' selection = (chain '6' and resid 14 through 73) } ncs_group { reference = (chain 'A' and (resid 150 through 414 or resid 427 through 663 or resid 675 thro \ ugh 844 or resid 853 through 867)) selection = (chain 'C' and (resid 150 through 191 or resid 204 through 585 or resid 609 thro \ ugh 663 or resid 675 through 768 or resid 814 through 867)) selection = (chain 'E' and (resid 150 through 191 or resid 204 through 414 or resid 427 thro \ ugh 585 or resid 609 through 663 or resid 675 through 768 or resid 814 through 8 \ 44 or resid 853 through 867)) selection = (chain 'G' and (resid 150 through 191 or resid 204 through 414 or resid 427 thro \ ugh 585 or resid 609 through 663 or resid 675 through 768 or resid 814 through 8 \ 44 or resid 853 through 867)) selection = (chain 'M' and (resid 150 through 191 or resid 204 through 414 or resid 427 thro \ ugh 585 or resid 609 through 663 or resid 675 through 768 or resid 814 through 8 \ 44 or resid 853 through 867)) } ncs_group { reference = (chain 'B' and (resid 245 through 278 or resid 286 through 346 or resid 366 thro \ ugh 502 or resid 531 through 811 or resid 827 through 890)) selection = (chain 'D' and (resid 245 through 811 or resid 827 through 890)) selection = (chain 'F' and (resid 245 through 278 or resid 286 through 346 or resid 366 thro \ ugh 502 or resid 531 through 890)) selection = (chain 'H' and (resid 245 through 278 or resid 286 through 346 or resid 366 thro \ ugh 502 or resid 531 through 890)) selection = (chain 'N' and (resid 245 through 278 or resid 286 through 346 or resid 366 thro \ ugh 502 or resid 531 through 890)) } ncs_group { reference = (chain 'I' and (resid 1 through 285 or resid 300 through 502 or resid 509 throug \ h 631)) selection = (chain 'K' and (resid 1 through 64 or resid 80 through 202 or resid 256 through \ 285 or resid 300 through 367 or (resid 368 and (name N or name CA or name C or n \ ame O or name CB )) or resid 369 through 417 or resid 448 through 631)) } 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=0.50 max=1.00 mean=1.00 Load rotamer database and sin/cos tables Set ADP refinement strategy ADPs will be refined as group one per residue Make a string to write initial .geo file Internal consistency checks Time: Set random seed: 0.000 Set model cs if undefined: 0.000 Decide on map wrapping: 0.000 Normalize map: mean=0, sd=1: 2.110 Set stop_for_unknowns flag: 0.000 Assert model is a single copy model: 0.000 Assert all atoms have isotropic ADPs: 0.000 Construct map_model_manager: 0.070 Extract box with map and model: 16.190 Check model and map are aligned: 1.290 Set scattering table: 0.840 Process input model: 277.540 Find NCS groups from input model: 8.230 Set up NCS constraints: 1.060 Set refine NCS operators: 0.000 Adjust number of macro_cycles: 0.000 Reset NCS operators: 0.000 Extract rigid body selections: 0.000 Check and reset occupancies: 0.030 Load rotamer database and sin/cos tables:2.460 Set ADP refinement strategy: 0.000 Make a string to write initial .geo file:0.000 Internal consistency checks: 0.000 Total: 309.820 ------------------------------------------------------------------------------- Set refinement monitor ********************** ------------------------------------------------------------------------------- Setup refinement engine *********************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.6044 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 : 0.013 0.112 123285 Z= 0.848 Angle : 2.067 13.600 166926 Z= 1.558 Chirality : 0.116 0.532 18768 Planarity : 0.010 0.072 21306 Dihedral : 16.753 90.876 45523 Min Nonbonded Distance : 1.851 Molprobity Statistics. All-atom Clashscore : 7.04 Ramachandran Plot: Outliers : 0.07 % Allowed : 5.21 % Favored : 94.72 % Rotamer: Outliers : 3.73 % Allowed : 14.57 % Favored : 81.70 % Cbeta Deviations : 0.70 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -1.41 (0.06), residues: 14696 helix: -0.31 (0.05), residues: 8225 sheet: -0.74 (0.23), residues: 607 loop : -1.79 (0.07), residues: 5864 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.064 0.004 TRP F 735 HIS 0.028 0.003 HIS S 334 PHE 0.056 0.004 PHE H 754 TYR 0.055 0.004 TYR N 553 ARG 0.025 0.001 ARG E 297 *********************** REFINEMENT MACRO_CYCLE 1 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 29392 Ramachandran restraints generated. 14696 Oldfield, 0 Emsley, 14696 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 29392 Ramachandran restraints generated. 14696 Oldfield, 0 Emsley, 14696 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1023 residues out of total 13437 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 489 poor density : 534 time to evaluate : 10.232 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: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: 2 402 GLU cc_start: 0.5059 (OUTLIER) cc_final: 0.4671 (mm-30) REVERT: 2 415 LYS cc_start: -0.7605 (OUTLIER) cc_final: -0.7821 (mttt) REVERT: 6 25 MET cc_start: 0.9110 (tmm) cc_final: 0.8796 (ppp) REVERT: A 698 MET cc_start: 0.4480 (mtm) cc_final: 0.4105 (ptp) REVERT: B 557 ASP cc_start: 0.7398 (OUTLIER) cc_final: 0.7131 (m-30) REVERT: C 283 PHE cc_start: 0.7927 (OUTLIER) cc_final: 0.7139 (m-80) REVERT: E 161 LEU cc_start: 0.9546 (OUTLIER) cc_final: 0.9345 (mt) REVERT: E 698 MET cc_start: 0.8556 (ptt) cc_final: 0.7389 (mtt) REVERT: G 757 MET cc_start: 0.8969 (mmm) cc_final: 0.8651 (mmt) REVERT: L 1734 MET cc_start: 0.8813 (tpp) cc_final: 0.8405 (mmm) REVERT: M 252 LEU cc_start: 0.2671 (OUTLIER) cc_final: 0.1876 (mt) REVERT: N 415 VAL cc_start: 0.3739 (OUTLIER) cc_final: 0.3530 (t) REVERT: N 673 MET cc_start: 0.0335 (mmt) cc_final: 0.0038 (tpp) REVERT: O 208 THR cc_start: 0.5709 (OUTLIER) cc_final: 0.5405 (p) REVERT: O 304 MET cc_start: 0.5752 (mtt) cc_final: 0.5333 (mpp) REVERT: Q 132 LEU cc_start: 0.7640 (OUTLIER) cc_final: 0.7037 (pp) REVERT: Q 325 GLN cc_start: 0.9142 (OUTLIER) cc_final: 0.8477 (pm20) REVERT: S 164 LYS cc_start: 0.8292 (OUTLIER) cc_final: 0.8087 (mmtm) REVERT: U 249 MET cc_start: 0.7589 (tpp) cc_final: 0.7342 (mmm) REVERT: W 304 MET cc_start: 0.7419 (mtt) cc_final: 0.7218 (mpp) REVERT: X 192 LEU cc_start: 0.9462 (OUTLIER) cc_final: 0.9240 (pp) REVERT: X 413 MET cc_start: 0.9057 (mmp) cc_final: 0.8842 (ptt) REVERT: Y 114 ILE cc_start: 0.4003 (OUTLIER) cc_final: 0.3314 (mt) REVERT: Y 192 LEU cc_start: 0.7809 (OUTLIER) cc_final: 0.7559 (pp) REVERT: Z 114 ILE cc_start: 0.2349 (OUTLIER) cc_final: 0.2091 (pt) REVERT: Z 270 MET cc_start: 0.3881 (mmm) cc_final: 0.3511 (mtp) REVERT: Z 349 ILE cc_start: 0.7060 (OUTLIER) cc_final: 0.6640 (mm) outliers start: 489 outliers final: 74 residues processed: 1010 average time/residue: 0.9529 time to fit residues: 1713.0206 Evaluate side-chains 507 residues out of total 13437 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 90 poor density : 417 time to evaluate : 10.155 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=5.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1493 random chunks: chunk 1260 optimal weight: 9.9990 chunk 1131 optimal weight: 10.0000 chunk 627 optimal weight: 5.9990 chunk 386 optimal weight: 4.9990 chunk 763 optimal weight: 4.9990 chunk 604 optimal weight: 8.9990 chunk 1170 optimal weight: 4.9990 chunk 452 optimal weight: 3.9990 chunk 711 optimal weight: 0.7980 chunk 870 optimal weight: 0.8980 chunk 1355 optimal weight: 9.9990 overall best weight: 3.1386 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: 1 174 ASN ** 1 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 1 371 HIS ** 2 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 251 ASN 3 89 ASN A 493 ASN ** A 684 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A 694 GLN ** B 259 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 401 HIS B 703 GLN ** B 716 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B 746 HIS B 781 GLN C 524 GLN ** C 644 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 558 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D 576 HIS ** D 717 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 719 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D 774 GLN ** D 883 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** E 401 HIS ** E 688 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** F 387 HIS ** F 716 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** F 885 HIS G 172 GLN G 289 ASN G 303 HIS G 309 GLN G 401 HIS G 862 ASN H 387 HIS H 595 HIS I 128 GLN ** I 180 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** I 397 GLN I 499 GLN I 529 GLN I 561 HIS I 563 HIS J 504 HIS J 753 GLN J 754 ASN J 763 GLN J 892 HIS K 316 GLN K 401 HIS ** K 489 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L 507 GLN L 515 ASN L 571 HIS L1416 GLN ** L1665 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L1767 HIS M 261 HIS M 289 ASN M 401 HIS M 694 GLN M 862 ASN N 269 ASN N 273 ASN ** N 345 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** N 347 GLN N 417 HIS N 595 HIS O 174 ASN ** O 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** O 371 HIS P 174 ASN ** P 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** P 334 HIS Q 174 ASN ** Q 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 334 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** R 174 ASN ** R 227 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** R 371 HIS ** S 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 338 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** S 371 HIS S 381 HIS ** T 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** T 371 HIS U 174 ASN ** U 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** U 371 HIS V 174 ASN ** V 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** V 251 ASN ** V 332 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** V 381 HIS W 54 GLN W 174 ASN W 267 HIS ** W 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** W 371 HIS X 174 ASN ** X 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** X 302 ASN ** X 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** X 371 HIS Y 174 ASN ** Y 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 302 ASN ** Y 371 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Z 59 HIS ** Z 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Z 322 ASN Total number of N/Q/H flips: 78 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.6136 moved from start: 0.2750 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.060 123285 Z= 0.242 Angle : 0.755 12.560 166926 Z= 0.394 Chirality : 0.046 0.342 18768 Planarity : 0.005 0.069 21306 Dihedral : 5.711 76.642 16458 Min Nonbonded Distance : 2.055 Molprobity Statistics. All-atom Clashscore : 10.94 Ramachandran Plot: Outliers : 0.10 % Allowed : 2.92 % Favored : 96.99 % Rotamer: Outliers : 0.07 % Allowed : 3.52 % Favored : 96.41 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -0.67 (0.07), residues: 14696 helix: 0.28 (0.05), residues: 8474 sheet: -0.74 (0.17), residues: 890 loop : -1.48 (0.08), residues: 5332 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.033 0.002 TRP L1610 HIS 0.022 0.002 HIS T 334 PHE 0.034 0.002 PHE B 714 TYR 0.041 0.002 TYR I 475 ARG 0.013 0.001 ARG W 372 *********************** REFINEMENT MACRO_CYCLE 2 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 29392 Ramachandran restraints generated. 14696 Oldfield, 0 Emsley, 14696 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 29392 Ramachandran restraints generated. 14696 Oldfield, 0 Emsley, 14696 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 451 residues out of total 13437 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 9 poor density : 442 time to evaluate : 10.264 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: 1 413 MET cc_start: 0.7673 (ptt) cc_final: 0.7473 (ppp) REVERT: 5 25 MET cc_start: 0.8708 (ppp) cc_final: 0.7868 (tmm) REVERT: A 697 MET cc_start: 0.1533 (mmm) cc_final: 0.1284 (tpt) REVERT: C 640 MET cc_start: 0.9509 (mmm) cc_final: 0.9185 (mmm) REVERT: C 698 MET cc_start: 0.8869 (ttm) cc_final: 0.8611 (ttm) REVERT: C 738 MET cc_start: 0.8878 (pmm) cc_final: 0.8563 (pmm) REVERT: D 673 MET cc_start: 0.8216 (mmm) cc_final: 0.7875 (mmt) REVERT: E 697 MET cc_start: 0.8702 (mmm) cc_final: 0.7978 (mmp) REVERT: E 698 MET cc_start: 0.8792 (ptt) cc_final: 0.7757 (mtt) REVERT: F 843 MET cc_start: 0.8818 (ptp) cc_final: 0.8427 (ptp) REVERT: G 757 MET cc_start: 0.9074 (mmm) cc_final: 0.8714 (mmm) REVERT: K 344 MET cc_start: 0.9102 (tmm) cc_final: 0.8836 (ptt) REVERT: L 1734 MET cc_start: 0.8740 (tpp) cc_final: 0.8391 (mmm) REVERT: M 738 MET cc_start: 0.0791 (mpp) cc_final: -0.0826 (ptt) REVERT: N 268 MET cc_start: -0.0572 (tpp) cc_final: -0.1004 (mpp) REVERT: N 475 MET cc_start: 0.4823 (tpp) cc_final: 0.4407 (mmm) REVERT: S 270 MET cc_start: 0.8853 (tmm) cc_final: 0.7997 (tmm) REVERT: T 377 MET cc_start: 0.8975 (tmm) cc_final: 0.8735 (tmm) REVERT: T 378 MET cc_start: 0.9319 (mmm) cc_final: 0.9095 (mmp) REVERT: U 304 MET cc_start: 0.5452 (mtt) cc_final: 0.5216 (mpp) REVERT: V 377 MET cc_start: 0.9138 (tmm) cc_final: 0.8828 (tmm) REVERT: W 294 MET cc_start: 0.9456 (mtp) cc_final: 0.9165 (mtp) REVERT: X 413 MET cc_start: 0.9086 (mmp) cc_final: 0.8870 (ptt) REVERT: Y 236 MET cc_start: -0.1802 (mmt) cc_final: -0.2623 (ptp) outliers start: 9 outliers final: 0 residues processed: 449 average time/residue: 0.9795 time to fit residues: 781.3633 Evaluate side-chains 406 residues out of total 13437 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 406 time to evaluate : 10.581 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1493 random chunks: chunk 753 optimal weight: 8.9990 chunk 420 optimal weight: 9.9990 chunk 1128 optimal weight: 20.0000 chunk 923 optimal weight: 20.0000 chunk 374 optimal weight: 10.0000 chunk 1358 optimal weight: 20.0000 chunk 1467 optimal weight: 20.0000 chunk 1209 optimal weight: 20.0000 chunk 1346 optimal weight: 6.9990 chunk 463 optimal weight: 9.9990 chunk 1089 optimal weight: 50.0000 overall best weight: 9.1992 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: 1 16 GLN ** 1 139 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 9 GLN ** 2 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 381 HIS 3 33 GLN 3 82 HIS 3 89 ASN ** A 329 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A 371 GLN A 412 HIS A 444 GLN A 458 ASN A 524 GLN ** A 684 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A 767 GLN B 259 GLN B 301 HIS B 444 HIS ** B 855 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 261 HIS C 303 HIS C 412 HIS C 458 ASN ** C 639 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 691 GLN C 763 GLN ** D 494 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D 560 GLN D 594 GLN D 719 GLN ** E 289 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 458 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** E 493 ASN ** E 684 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** E 718 ASN ** E 862 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 270 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** F 322 GLN ** F 596 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** F 643 HIS F 665 ASN ** F 719 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 739 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 740 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** F 774 GLN G 213 GLN ** G 289 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** G 329 GLN G 373 GLN G 862 ASN H 343 HIS H 347 GLN H 387 HIS H 461 HIS H 713 HIS H 751 HIS H 773 ASN H 774 GLN ** H 789 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** I 116 HIS I 160 HIS I 312 HIS I 316 GLN I 397 GLN I 581 HIS J 495 GLN ** J 499 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** J 546 HIS J 694 HIS J 759 ASN J 818 GLN J 930 HIS ** J 938 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** K 121 HIS K 397 GLN ** K 657 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L 358 ASN ** L 469 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L1512 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** L1516 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** L1522 HIS L1785 HIS M 172 GLN ** M 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 289 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** M 309 GLN M 329 GLN ** M 862 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** N 269 ASN ** N 270 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** N 329 HIS ** N 345 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** N 773 ASN ** N 789 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** O 9 GLN ** O 139 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** O 322 ASN P 9 GLN P 16 GLN ** P 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 325 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 381 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 302 ASN ** Q 334 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Q 394 GLN ** R 227 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 338 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** S 394 GLN T 16 GLN ** T 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** T 381 HIS T 394 GLN U 16 GLN U 139 HIS ** U 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** U 394 GLN V 9 GLN ** V 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** V 230 GLN V 267 HIS V 394 GLN W 16 GLN W 59 HIS W 381 HIS W 394 GLN X 54 GLN ** X 139 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** X 302 ASN ** X 381 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** X 394 GLN Y 9 GLN Y 16 GLN ** Y 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 229 ASN ** Y 371 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Y 394 GLN Z 9 GLN ** Z 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 381 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 94 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.6370 moved from start: 0.3898 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.005 0.137 123285 Z= 0.333 Angle : 0.768 11.862 166926 Z= 0.403 Chirality : 0.045 0.289 18768 Planarity : 0.005 0.083 21306 Dihedral : 5.460 67.035 16458 Min Nonbonded Distance : 1.943 Molprobity Statistics. All-atom Clashscore : 16.75 Ramachandran Plot: Outliers : 0.10 % Allowed : 4.31 % Favored : 95.59 % Rotamer: Outliers : 0.14 % Allowed : 4.18 % Favored : 95.68 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -0.56 (0.07), residues: 14696 helix: 0.34 (0.05), residues: 8529 sheet: -0.74 (0.16), residues: 965 loop : -1.38 (0.09), residues: 5202 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.063 0.002 TRP H 668 HIS 0.036 0.002 HIS D 716 PHE 0.037 0.002 PHE M 758 TYR 0.061 0.002 TYR F 793 ARG 0.011 0.001 ARG C 241 *********************** REFINEMENT MACRO_CYCLE 3 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 29392 Ramachandran restraints generated. 14696 Oldfield, 0 Emsley, 14696 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 29392 Ramachandran restraints generated. 14696 Oldfield, 0 Emsley, 14696 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 431 residues out of total 13437 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 18 poor density : 413 time to evaluate : 10.325 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: 6 41 MET cc_start: 0.9582 (tpt) cc_final: 0.9355 (tpt) REVERT: A 697 MET cc_start: 0.1036 (mmm) cc_final: 0.0428 (tpt) REVERT: A 698 MET cc_start: 0.3763 (mtm) cc_final: 0.3509 (mtm) REVERT: A 702 MET cc_start: 0.6840 (mtt) cc_final: 0.6523 (mtt) REVERT: C 640 MET cc_start: 0.9535 (mmm) cc_final: 0.9241 (mmm) REVERT: C 738 MET cc_start: 0.8942 (pmm) cc_final: 0.8724 (pmm) REVERT: E 697 MET cc_start: 0.8927 (mmm) cc_final: 0.8026 (mmp) REVERT: E 698 MET cc_start: 0.8905 (ptt) cc_final: 0.8065 (mtt) REVERT: E 852 MET cc_start: 0.4944 (mtp) cc_final: 0.4507 (mtm) REVERT: G 160 MET cc_start: 0.7807 (ptt) cc_final: 0.7569 (ptt) REVERT: G 702 MET cc_start: 0.8777 (mmm) cc_final: 0.8389 (mmm) REVERT: J 707 MET cc_start: 0.9428 (mmm) cc_final: 0.9108 (mpp) REVERT: K 344 MET cc_start: 0.9258 (tmm) cc_final: 0.8973 (ptt) REVERT: K 379 MET cc_start: 0.9128 (ptm) cc_final: 0.8787 (ppp) REVERT: L 1734 MET cc_start: 0.8819 (tpp) cc_final: 0.8495 (mmm) REVERT: M 522 MET cc_start: -0.2307 (mmp) cc_final: -0.3157 (tpt) REVERT: M 738 MET cc_start: 0.0419 (mpp) cc_final: -0.0547 (ptt) REVERT: M 769 MET cc_start: -0.1303 (mtm) cc_final: -0.1798 (mtm) REVERT: Q 270 MET cc_start: 0.5873 (ppp) cc_final: 0.5469 (ttp) REVERT: S 249 MET cc_start: 0.5786 (mmp) cc_final: 0.5516 (mmm) REVERT: S 270 MET cc_start: 0.8669 (tmm) cc_final: 0.8306 (ppp) REVERT: U 304 MET cc_start: 0.5881 (mtt) cc_final: 0.5391 (mpp) REVERT: V 377 MET cc_start: 0.9075 (tmm) cc_final: 0.8837 (tmm) REVERT: V 378 MET cc_start: 0.9165 (mmp) cc_final: 0.8910 (mmm) REVERT: W 294 MET cc_start: 0.9156 (mtp) cc_final: 0.8802 (mtp) REVERT: W 377 MET cc_start: 0.8977 (tpt) cc_final: 0.8705 (tpt) REVERT: X 378 MET cc_start: 0.9513 (mmm) cc_final: 0.9285 (mmp) REVERT: Y 270 MET cc_start: 0.2056 (ppp) cc_final: 0.1768 (ppp) REVERT: Y 378 MET cc_start: 0.8119 (mmt) cc_final: 0.7560 (tpp) REVERT: Y 409 ARG cc_start: 0.8569 (pmt-80) cc_final: 0.7970 (ptm-80) outliers start: 18 outliers final: 6 residues processed: 430 average time/residue: 1.0075 time to fit residues: 776.9603 Evaluate side-chains 398 residues out of total 13437 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 6 poor density : 392 time to evaluate : 10.130 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1493 random chunks: chunk 1341 optimal weight: 50.0000 chunk 1021 optimal weight: 8.9990 chunk 704 optimal weight: 5.9990 chunk 150 optimal weight: 40.0000 chunk 648 optimal weight: 3.9990 chunk 912 optimal weight: 10.0000 chunk 1363 optimal weight: 10.0000 chunk 1443 optimal weight: 7.9990 chunk 712 optimal weight: 1.9990 chunk 1291 optimal weight: 0.5980 chunk 388 optimal weight: 7.9990 overall best weight: 4.1188 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** 1 139 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 139 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 650 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B 855 GLN ** C 639 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 828 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D 401 HIS D 491 ASN D 494 HIS D 719 GLN E 289 ASN ** E 458 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 688 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 862 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 270 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** F 713 HIS ** F 740 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** F 774 GLN ** G 289 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** G 862 ASN H 273 ASN H 702 HIS H 713 HIS H 736 ASN I 312 HIS I 316 GLN K 67 GLN ** K 489 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 512 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L1516 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** L1665 GLN L1785 HIS ** M 261 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 289 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** M 580 HIS M 862 ASN ** N 270 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 345 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** N 387 HIS N 479 GLN ** O 139 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** P 197 GLN ** P 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** P 381 HIS Q 54 GLN Q 139 HIS ** Q 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 334 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 139 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 227 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 338 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 357 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** T 381 HIS ** U 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** W 54 GLN ** W 139 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** W 229 ASN W 381 HIS X 139 HIS ** X 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** X 229 ASN X 381 HIS ** Y 139 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 139 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 33 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.6310 moved from start: 0.4190 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.065 123285 Z= 0.192 Angle : 0.614 14.179 166926 Z= 0.318 Chirality : 0.041 0.308 18768 Planarity : 0.004 0.077 21306 Dihedral : 5.192 65.362 16458 Min Nonbonded Distance : 2.038 Molprobity Statistics. All-atom Clashscore : 12.36 Ramachandran Plot: Outliers : 0.05 % Allowed : 3.16 % Favored : 96.79 % Rotamer: Outliers : 0.05 % Allowed : 2.21 % Favored : 97.75 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -0.05 (0.07), residues: 14696 helix: 0.80 (0.06), residues: 8613 sheet: -0.36 (0.17), residues: 924 loop : -1.33 (0.09), residues: 5159 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.016 0.001 TRP U 351 HIS 0.013 0.001 HIS Q 334 PHE 0.037 0.002 PHE C 699 TYR 0.029 0.001 TYR L 573 ARG 0.020 0.000 ARG S 343 *********************** REFINEMENT MACRO_CYCLE 4 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 29392 Ramachandran restraints generated. 14696 Oldfield, 0 Emsley, 14696 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 29392 Ramachandran restraints generated. 14696 Oldfield, 0 Emsley, 14696 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 412 residues out of total 13437 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 6 poor density : 406 time to evaluate : 10.329 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: 5 25 MET cc_start: 0.8754 (ppp) cc_final: 0.7950 (tmm) REVERT: A 697 MET cc_start: 0.1244 (mmm) cc_final: 0.0808 (tpt) REVERT: C 640 MET cc_start: 0.9553 (mmm) cc_final: 0.9228 (mmm) REVERT: C 738 MET cc_start: 0.9000 (pmm) cc_final: 0.8765 (pmm) REVERT: E 697 MET cc_start: 0.8910 (mmm) cc_final: 0.8304 (mmp) REVERT: E 698 MET cc_start: 0.8875 (ptt) cc_final: 0.7892 (mtt) REVERT: E 762 MET cc_start: 0.7102 (ptm) cc_final: 0.6785 (ptm) REVERT: F 477 MET cc_start: 0.9337 (tpt) cc_final: 0.9071 (tpp) REVERT: F 559 MET cc_start: 0.8365 (mtm) cc_final: 0.8135 (mtt) REVERT: F 843 MET cc_start: 0.8849 (ptp) cc_final: 0.8476 (ptp) REVERT: G 702 MET cc_start: 0.8986 (mmm) cc_final: 0.8671 (mmm) REVERT: G 757 MET cc_start: 0.9331 (mmm) cc_final: 0.8750 (mpp) REVERT: K 344 MET cc_start: 0.9294 (tmm) cc_final: 0.8952 (ptt) REVERT: L 1734 MET cc_start: 0.8819 (tpp) cc_final: 0.8493 (mmm) REVERT: M 738 MET cc_start: 0.0465 (mpp) cc_final: -0.0670 (ptt) REVERT: M 769 MET cc_start: -0.0226 (mtm) cc_final: -0.0533 (mtm) REVERT: N 268 MET cc_start: -0.0630 (mmt) cc_final: -0.0856 (mmt) REVERT: S 270 MET cc_start: 0.8411 (tmm) cc_final: 0.8107 (tmm) REVERT: T 377 MET cc_start: 0.9101 (tmm) cc_final: 0.8874 (tmm) REVERT: T 378 MET cc_start: 0.9227 (mmt) cc_final: 0.8936 (mmm) REVERT: U 304 MET cc_start: 0.5555 (mtt) cc_final: 0.5001 (mpp) REVERT: V 377 MET cc_start: 0.9098 (tmm) cc_final: 0.8827 (tmm) REVERT: V 378 MET cc_start: 0.9014 (mmp) cc_final: 0.8774 (mmm) REVERT: W 294 MET cc_start: 0.9153 (mtp) cc_final: 0.8777 (mtt) REVERT: X 378 MET cc_start: 0.9517 (mmm) cc_final: 0.9286 (mmp) REVERT: X 381 HIS cc_start: 0.7758 (OUTLIER) cc_final: 0.7395 (t70) REVERT: Y 378 MET cc_start: 0.8137 (mmt) cc_final: 0.7465 (tpp) outliers start: 6 outliers final: 1 residues processed: 411 average time/residue: 0.9569 time to fit residues: 712.5534 Evaluate side-chains 390 residues out of total 13437 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2 poor density : 388 time to evaluate : 10.142 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=3.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1493 random chunks: chunk 1201 optimal weight: 20.0000 chunk 819 optimal weight: 30.0000 chunk 20 optimal weight: 0.0010 chunk 1074 optimal weight: 30.0000 chunk 595 optimal weight: 0.7980 chunk 1231 optimal weight: 7.9990 chunk 997 optimal weight: 30.0000 chunk 1 optimal weight: 20.0000 chunk 736 optimal weight: 9.9990 chunk 1295 optimal weight: 30.0000 chunk 364 optimal weight: 5.9990 overall best weight: 4.9592 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** 1 139 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 16 GLN ** 2 139 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 650 HIS ** A 684 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 639 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 691 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D 491 ASN ** E 289 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 458 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 688 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 694 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 862 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 270 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** F 560 GLN F 596 ASN F 713 HIS ** F 740 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** G 289 ASN G 694 GLN G 712 ASN ** G 741 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** G 862 ASN H 461 HIS H 781 GLN ** H 789 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** H 859 GLN ** I 180 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** K 65 HIS ** L 512 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L1516 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 261 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 289 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 487 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 862 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 270 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 345 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** N 401 HIS ** O 139 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** O 229 ASN ** P 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 16 GLN ** Q 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 229 ASN Q 334 HIS ** R 139 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 227 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** S 338 GLN ** S 357 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** T 174 ASN ** T 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** U 174 ASN ** U 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** U 381 HIS V 139 HIS ** V 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 139 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** X 229 ASN X 334 HIS ** Y 139 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 230 GLN ** Y 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 139 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Z 229 ASN Z 381 HIS Total number of N/Q/H flips: 29 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.6351 moved from start: 0.4589 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.067 123285 Z= 0.209 Angle : 0.608 13.710 166926 Z= 0.314 Chirality : 0.041 0.230 18768 Planarity : 0.004 0.061 21306 Dihedral : 4.994 58.519 16458 Min Nonbonded Distance : 2.052 Molprobity Statistics. All-atom Clashscore : 13.27 Ramachandran Plot: Outliers : 0.02 % Allowed : 4.00 % Favored : 95.98 % Rotamer: Outliers : 0.02 % Allowed : 1.98 % Favored : 98.00 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 0.15 (0.07), residues: 14696 helix: 0.96 (0.06), residues: 8654 sheet: -0.34 (0.17), residues: 932 loop : -1.25 (0.09), residues: 5110 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.015 0.001 TRP I 190 HIS 0.013 0.001 HIS Q 334 PHE 0.033 0.002 PHE C 699 TYR 0.039 0.002 TYR I 475 ARG 0.011 0.000 ARG S 343 *********************** REFINEMENT MACRO_CYCLE 5 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 29392 Ramachandran restraints generated. 14696 Oldfield, 0 Emsley, 14696 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 29392 Ramachandran restraints generated. 14696 Oldfield, 0 Emsley, 14696 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 408 residues out of total 13437 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2 poor density : 406 time to evaluate : 10.238 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: 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 697 MET cc_start: 0.0761 (mmm) cc_final: 0.0509 (tpp) REVERT: A 698 MET cc_start: 0.6192 (ttm) cc_final: 0.5066 (ttm) REVERT: A 702 MET cc_start: 0.6626 (mtt) cc_final: 0.6389 (mtm) REVERT: C 335 MET cc_start: 0.7271 (ppp) cc_final: 0.6979 (ppp) REVERT: C 640 MET cc_start: 0.9584 (mmm) cc_final: 0.9315 (mmm) REVERT: C 697 MET cc_start: 0.7542 (mmp) cc_final: 0.7037 (mmp) REVERT: C 698 MET cc_start: 0.8829 (ppp) cc_final: 0.8522 (ppp) REVERT: E 697 MET cc_start: 0.8920 (mmm) cc_final: 0.8332 (mmp) REVERT: E 698 MET cc_start: 0.8568 (ptt) cc_final: 0.7691 (mtt) REVERT: E 762 MET cc_start: 0.6994 (ptm) cc_final: 0.6581 (ptm) REVERT: F 477 MET cc_start: 0.9292 (tpt) cc_final: 0.8968 (tpp) REVERT: F 685 MET cc_start: 0.7883 (tmm) cc_final: 0.7683 (tmm) REVERT: G 702 MET cc_start: 0.9042 (mmm) cc_final: 0.8799 (mmm) REVERT: G 757 MET cc_start: 0.9359 (mmm) cc_final: 0.8760 (mpp) REVERT: J 707 MET cc_start: 0.9363 (mmm) cc_final: 0.8893 (mpp) REVERT: J 983 MET cc_start: 0.9183 (ppp) cc_final: 0.8902 (ppp) REVERT: K 344 MET cc_start: 0.9310 (tmm) cc_final: 0.8962 (ptt) REVERT: K 379 MET cc_start: 0.8932 (ptm) cc_final: 0.8685 (ppp) REVERT: L 1734 MET cc_start: 0.8815 (tpp) cc_final: 0.8507 (mmm) REVERT: M 738 MET cc_start: 0.0432 (mpp) cc_final: -0.0602 (ptt) REVERT: M 752 MET cc_start: -0.1918 (mmp) cc_final: -0.2835 (mmt) REVERT: M 769 MET cc_start: -0.0659 (mtm) cc_final: -0.0861 (mtm) REVERT: R 304 MET cc_start: 0.5520 (mtt) cc_final: 0.4892 (mpp) REVERT: S 270 MET cc_start: 0.8399 (tmm) cc_final: 0.8175 (ppp) REVERT: T 377 MET cc_start: 0.9137 (tmm) cc_final: 0.8914 (tmm) REVERT: U 304 MET cc_start: 0.5674 (mtt) cc_final: 0.5235 (mpp) REVERT: V 236 MET cc_start: 0.9734 (tpp) cc_final: 0.9528 (tpp) REVERT: V 270 MET cc_start: 0.8081 (ptp) cc_final: 0.7676 (ptp) REVERT: V 377 MET cc_start: 0.9072 (tmm) cc_final: 0.8855 (tmm) REVERT: W 249 MET cc_start: 0.7578 (mmp) cc_final: 0.7244 (pmm) REVERT: W 294 MET cc_start: 0.9070 (mtp) cc_final: 0.8739 (mtp) REVERT: Y 378 MET cc_start: 0.8194 (mmt) cc_final: 0.7496 (tpp) outliers start: 2 outliers final: 0 residues processed: 408 average time/residue: 0.9793 time to fit residues: 727.1491 Evaluate side-chains 388 residues out of total 13437 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 388 time to evaluate : 10.141 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=3.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1493 random chunks: chunk 485 optimal weight: 9.9990 chunk 1299 optimal weight: 30.0000 chunk 285 optimal weight: 4.9990 chunk 847 optimal weight: 5.9990 chunk 356 optimal weight: 8.9990 chunk 1444 optimal weight: 50.0000 chunk 1199 optimal weight: 50.0000 chunk 668 optimal weight: 1.9990 chunk 120 optimal weight: 8.9990 chunk 477 optimal weight: 9.9990 chunk 758 optimal weight: 8.9990 overall best weight: 6.1990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** 1 139 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 139 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 15 ASN ** C 639 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 691 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 725 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D 491 ASN ** D 703 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** E 287 GLN ** E 289 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 458 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 688 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 694 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 862 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 270 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 740 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** F 855 GLN ** G 289 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 741 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 767 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** G 862 ASN H 461 HIS H 713 HIS ** H 736 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 885 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 180 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** I 186 GLN I 200 HIS I 519 ASN I 584 ASN J 288 GLN J 571 ASN J 694 HIS J 754 ASN K 67 GLN ** K 489 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L1516 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 261 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 289 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** M 316 GLN ** M 487 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** M 707 HIS ** M 862 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 270 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 345 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** N 789 GLN ** O 139 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 325 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 381 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** P 394 GLN ** Q 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 302 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 381 HIS R 16 GLN ** R 139 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 227 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** S 16 GLN S 54 GLN ** S 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** S 347 ASN ** S 357 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 139 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** X 229 ASN ** X 381 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Y 103 ASN ** Y 139 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 139 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 381 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 27 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.6392 moved from start: 0.4989 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.068 123285 Z= 0.230 Angle : 0.620 16.206 166926 Z= 0.320 Chirality : 0.041 0.357 18768 Planarity : 0.004 0.060 21306 Dihedral : 4.990 53.031 16458 Min Nonbonded Distance : 2.041 Molprobity Statistics. All-atom Clashscore : 14.43 Ramachandran Plot: Outliers : 0.01 % Allowed : 3.72 % Favored : 96.26 % Rotamer: Outliers : 0.01 % Allowed : 1.79 % Favored : 98.20 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 0.18 (0.07), residues: 14696 helix: 0.99 (0.06), residues: 8656 sheet: -0.32 (0.17), residues: 902 loop : -1.25 (0.09), residues: 5138 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.033 0.001 TRP P 351 HIS 0.009 0.001 HIS F 885 PHE 0.031 0.002 PHE C 699 TYR 0.034 0.002 TYR A 223 ARG 0.010 0.000 ARG Y 409 *********************** REFINEMENT MACRO_CYCLE 6 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 29392 Ramachandran restraints generated. 14696 Oldfield, 0 Emsley, 14696 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 29392 Ramachandran restraints generated. 14696 Oldfield, 0 Emsley, 14696 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 399 residues out of total 13437 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 1 poor density : 398 time to evaluate : 10.872 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: 2 378 MET cc_start: 0.1775 (tpp) cc_final: 0.1371 (tpp) REVERT: A 160 MET cc_start: 0.8489 (ptt) cc_final: 0.8070 (ptt) REVERT: A 698 MET cc_start: 0.5987 (ttm) cc_final: 0.5097 (ttm) REVERT: A 702 MET cc_start: 0.6712 (mtt) cc_final: 0.6449 (mtm) REVERT: C 335 MET cc_start: 0.7284 (ppp) cc_final: 0.7009 (ppp) REVERT: C 640 MET cc_start: 0.9571 (mmm) cc_final: 0.9314 (mmm) REVERT: C 697 MET cc_start: 0.7737 (mmp) cc_final: 0.7124 (mmp) REVERT: C 698 MET cc_start: 0.8918 (ppp) cc_final: 0.8581 (ppp) REVERT: C 738 MET cc_start: 0.9029 (pmm) cc_final: 0.8723 (pmm) REVERT: E 697 MET cc_start: 0.8917 (mmm) cc_final: 0.8332 (mmp) REVERT: E 698 MET cc_start: 0.8532 (ptt) cc_final: 0.7638 (mtt) REVERT: E 762 MET cc_start: 0.7045 (ptm) cc_final: 0.6616 (ptm) REVERT: F 477 MET cc_start: 0.9274 (tpt) cc_final: 0.8954 (tpp) REVERT: F 843 MET cc_start: 0.8912 (ptp) cc_final: 0.8578 (ptp) REVERT: G 757 MET cc_start: 0.9349 (mmm) cc_final: 0.8704 (mpp) REVERT: J 707 MET cc_start: 0.9391 (mmm) cc_final: 0.8916 (mpp) REVERT: J 983 MET cc_start: 0.9135 (ppp) cc_final: 0.8917 (ppp) REVERT: K 344 MET cc_start: 0.9341 (tmm) cc_final: 0.9045 (ptt) REVERT: K 379 MET cc_start: 0.9259 (ptm) cc_final: 0.8912 (ppp) REVERT: L 1734 MET cc_start: 0.8837 (tpp) cc_final: 0.8518 (mmm) REVERT: M 522 MET cc_start: -0.1321 (mmp) cc_final: -0.2636 (tpt) REVERT: M 738 MET cc_start: 0.0523 (mpp) cc_final: -0.0335 (ptt) REVERT: M 752 MET cc_start: -0.2416 (mmp) cc_final: -0.3012 (mmt) REVERT: N 559 MET cc_start: -0.0036 (mmm) cc_final: -0.0243 (mmm) REVERT: R 304 MET cc_start: 0.5743 (mtt) cc_final: 0.4913 (mpp) REVERT: U 304 MET cc_start: 0.5920 (mtt) cc_final: 0.5540 (mpp) REVERT: V 270 MET cc_start: 0.8195 (ptp) cc_final: 0.7735 (ptp) REVERT: W 249 MET cc_start: 0.7517 (mmp) cc_final: 0.7095 (pmm) REVERT: W 294 MET cc_start: 0.9023 (mtp) cc_final: 0.8707 (mtp) REVERT: X 294 MET cc_start: 0.8501 (ptt) cc_final: 0.7858 (ptt) REVERT: X 377 MET cc_start: 0.9172 (tmm) cc_final: 0.8948 (tmm) REVERT: Y 294 MET cc_start: 0.6769 (pmm) cc_final: 0.6165 (pmm) REVERT: Y 378 MET cc_start: 0.8208 (mmt) cc_final: 0.7600 (tpp) outliers start: 1 outliers final: 0 residues processed: 399 average time/residue: 0.9724 time to fit residues: 702.6830 Evaluate side-chains 387 residues out of total 13437 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 387 time to evaluate : 10.194 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=2.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1493 random chunks: chunk 1392 optimal weight: 20.0000 chunk 162 optimal weight: 0.0470 chunk 823 optimal weight: 3.9990 chunk 1054 optimal weight: 20.0000 chunk 817 optimal weight: 8.9990 chunk 1215 optimal weight: 30.0000 chunk 806 optimal weight: 0.0970 chunk 1439 optimal weight: 20.0000 chunk 900 optimal weight: 30.0000 chunk 877 optimal weight: 7.9990 chunk 664 optimal weight: 7.9990 overall best weight: 4.0282 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** 1 139 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 139 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 14 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A 289 ASN ** C 166 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 444 GLN ** C 639 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 691 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D 491 ASN ** D 703 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 289 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 458 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 688 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 862 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** F 270 ASN F 703 GLN ** F 740 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 289 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** G 316 GLN G 741 ASN ** G 767 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** G 862 ASN H 461 HIS H 560 GLN H 713 HIS ** H 736 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 789 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** H 885 HIS I 180 HIS I 584 ASN J 298 ASN J 499 ASN K 67 GLN K 489 GLN ** L 512 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L1516 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 261 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 289 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 487 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 862 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 270 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 345 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 139 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** R 139 HIS ** R 227 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** S 54 GLN ** S 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** U 381 HIS V 103 ASN ** V 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 139 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** X 394 GLN ** Y 139 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 139 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 23 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.6372 moved from start: 0.5163 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.052 123285 Z= 0.183 Angle : 0.584 12.146 166926 Z= 0.300 Chirality : 0.040 0.261 18768 Planarity : 0.004 0.059 21306 Dihedral : 4.874 48.293 16458 Min Nonbonded Distance : 2.054 Molprobity Statistics. All-atom Clashscore : 13.20 Ramachandran Plot: Outliers : 0.01 % Allowed : 3.78 % Favored : 96.21 % Rotamer: Outliers : 0.02 % Allowed : 1.06 % Favored : 98.92 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 0.38 (0.07), residues: 14696 helix: 1.19 (0.06), residues: 8655 sheet: -0.28 (0.17), residues: 908 loop : -1.23 (0.09), residues: 5133 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.016 0.001 TRP E 428 HIS 0.012 0.001 HIS K 591 PHE 0.027 0.001 PHE D 317 TYR 0.035 0.001 TYR L 573 ARG 0.009 0.000 ARG L1748 *********************** REFINEMENT MACRO_CYCLE 7 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 29392 Ramachandran restraints generated. 14696 Oldfield, 0 Emsley, 14696 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 29392 Ramachandran restraints generated. 14696 Oldfield, 0 Emsley, 14696 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 402 residues out of total 13437 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 3 poor density : 399 time to evaluate : 10.338 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: 2 378 MET cc_start: 0.1924 (tpp) cc_final: 0.1480 (tpp) REVERT: 5 25 MET cc_start: 0.8648 (ppp) cc_final: 0.7687 (tmm) REVERT: A 698 MET cc_start: 0.6011 (ttm) cc_final: 0.5356 (ttm) REVERT: C 335 MET cc_start: 0.7200 (ppp) cc_final: 0.6950 (ppp) REVERT: C 640 MET cc_start: 0.9563 (mmm) cc_final: 0.9231 (mmm) REVERT: C 697 MET cc_start: 0.7653 (mmp) cc_final: 0.6961 (mmp) REVERT: C 698 MET cc_start: 0.8863 (ppp) cc_final: 0.8290 (ppp) REVERT: C 738 MET cc_start: 0.8981 (pmm) cc_final: 0.8633 (pmm) REVERT: C 757 MET cc_start: 0.8309 (ptp) cc_final: 0.8028 (ptp) REVERT: E 697 MET cc_start: 0.8886 (mmm) cc_final: 0.8283 (mmp) REVERT: E 698 MET cc_start: 0.8713 (ptt) cc_final: 0.7817 (mtt) REVERT: E 762 MET cc_start: 0.7047 (ptm) cc_final: 0.6585 (ptm) REVERT: F 477 MET cc_start: 0.9253 (tpt) cc_final: 0.8894 (tpp) REVERT: F 559 MET cc_start: 0.8217 (mtm) cc_final: 0.7945 (mtt) REVERT: F 685 MET cc_start: 0.7829 (tmm) cc_final: 0.7547 (tmm) REVERT: F 843 MET cc_start: 0.8943 (ptp) cc_final: 0.8729 (ptp) REVERT: G 757 MET cc_start: 0.9312 (mmm) cc_final: 0.8664 (mpp) REVERT: J 707 MET cc_start: 0.9373 (mmm) cc_final: 0.8905 (mpp) REVERT: J 735 MET cc_start: 0.5778 (ptt) cc_final: 0.5444 (ptt) REVERT: J 983 MET cc_start: 0.9179 (ppp) cc_final: 0.8968 (ppp) REVERT: K 344 MET cc_start: 0.9333 (tmm) cc_final: 0.9039 (ptt) REVERT: K 379 MET cc_start: 0.9222 (ptm) cc_final: 0.8925 (ppp) REVERT: K 489 GLN cc_start: 0.8153 (OUTLIER) cc_final: 0.7922 (tm-30) REVERT: L 1734 MET cc_start: 0.8835 (tpp) cc_final: 0.8516 (mmm) REVERT: M 522 MET cc_start: -0.1147 (mmp) cc_final: -0.2546 (tpt) REVERT: M 738 MET cc_start: 0.0704 (mpp) cc_final: -0.0421 (ptt) REVERT: M 752 MET cc_start: -0.2285 (mmp) cc_final: -0.2917 (mmt) REVERT: M 769 MET cc_start: 0.0137 (mtm) cc_final: -0.0774 (mtm) REVERT: N 268 MET cc_start: 0.1088 (mmt) cc_final: 0.0618 (mpp) REVERT: R 304 MET cc_start: 0.5953 (mtt) cc_final: 0.5156 (mpp) REVERT: S 249 MET cc_start: 0.5729 (mmm) cc_final: 0.5520 (mmp) REVERT: T 378 MET cc_start: 0.9238 (mmp) cc_final: 0.9028 (mmm) REVERT: W 249 MET cc_start: 0.7524 (mmp) cc_final: 0.7162 (pmm) REVERT: W 294 MET cc_start: 0.9011 (mtp) cc_final: 0.8789 (mtp) REVERT: X 294 MET cc_start: 0.8620 (ptt) cc_final: 0.7952 (ptt) REVERT: Y 294 MET cc_start: 0.6961 (pmm) cc_final: 0.6331 (pmm) REVERT: Y 378 MET cc_start: 0.8181 (mmt) cc_final: 0.7541 (tpp) outliers start: 3 outliers final: 0 residues processed: 402 average time/residue: 0.9536 time to fit residues: 695.1326 Evaluate side-chains 387 residues out of total 13437 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 1 poor density : 386 time to evaluate : 10.183 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=2.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1493 random chunks: chunk 890 optimal weight: 10.0000 chunk 574 optimal weight: 2.9990 chunk 859 optimal weight: 10.0000 chunk 433 optimal weight: 10.0000 chunk 282 optimal weight: 5.9990 chunk 278 optimal weight: 0.7980 chunk 914 optimal weight: 7.9990 chunk 980 optimal weight: 20.0000 chunk 711 optimal weight: 10.0000 chunk 134 optimal weight: 50.0000 chunk 1131 optimal weight: 7.9990 overall best weight: 5.1588 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** 1 139 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 139 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 229 ASN ** 3 14 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 84 GLN ** A 289 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 371 GLN ** A 373 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A 862 ASN B 461 HIS ** C 166 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 458 ASN ** C 639 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 691 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D 491 ASN ** D 703 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 289 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** E 458 ASN E 493 ASN E 530 HIS ** E 688 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 694 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** F 713 HIS ** F 740 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 289 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 767 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** G 862 ASN H 461 HIS H 713 HIS ** H 736 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 746 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 789 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** H 859 GLN I 584 ASN ** J 499 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** K 3 HIS K 67 GLN ** L1516 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 261 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 289 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 487 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 862 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 270 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 345 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** N 560 GLN ** O 139 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 325 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 302 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 381 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 227 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** U 207 ASN ** V 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 139 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 139 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 139 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Z 251 ASN Total number of N/Q/H flips: 21 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.6402 moved from start: 0.5438 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.074 123285 Z= 0.209 Angle : 0.600 14.585 166926 Z= 0.308 Chirality : 0.040 0.251 18768 Planarity : 0.004 0.067 21306 Dihedral : 4.852 42.833 16458 Min Nonbonded Distance : 2.067 Molprobity Statistics. All-atom Clashscore : 14.29 Ramachandran Plot: Outliers : 0.01 % Allowed : 3.98 % Favored : 96.01 % Rotamer: Outliers : 0.01 % Allowed : 0.83 % Favored : 99.16 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 0.34 (0.07), residues: 14696 helix: 1.20 (0.06), residues: 8658 sheet: -0.71 (0.15), residues: 1076 loop : -1.25 (0.09), residues: 4962 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.017 0.001 TRP I 190 HIS 0.013 0.001 HIS Z 381 PHE 0.041 0.002 PHE E 748 TYR 0.033 0.001 TYR U 248 ARG 0.015 0.000 ARG Y 409 *********************** REFINEMENT MACRO_CYCLE 8 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 29392 Ramachandran restraints generated. 14696 Oldfield, 0 Emsley, 14696 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 29392 Ramachandran restraints generated. 14696 Oldfield, 0 Emsley, 14696 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 399 residues out of total 13437 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 1 poor density : 398 time to evaluate : 10.157 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: 2 377 MET cc_start: -0.0062 (tpp) cc_final: -0.0589 (tpt) REVERT: A 160 MET cc_start: 0.8455 (ptt) cc_final: 0.7988 (ptt) REVERT: A 698 MET cc_start: 0.5865 (ttm) cc_final: 0.5229 (ttm) REVERT: C 335 MET cc_start: 0.7273 (ppp) cc_final: 0.7015 (ppp) REVERT: C 640 MET cc_start: 0.9543 (mmm) cc_final: 0.9244 (mmm) REVERT: C 697 MET cc_start: 0.7628 (mmp) cc_final: 0.6930 (mmp) REVERT: C 698 MET cc_start: 0.8892 (ppp) cc_final: 0.8598 (ppp) REVERT: C 738 MET cc_start: 0.9032 (pmm) cc_final: 0.8677 (pmm) REVERT: C 757 MET cc_start: 0.8323 (ptp) cc_final: 0.8068 (ptp) REVERT: E 697 MET cc_start: 0.8869 (mmm) cc_final: 0.8235 (mmp) REVERT: E 698 MET cc_start: 0.8671 (ptt) cc_final: 0.7766 (mtt) REVERT: E 762 MET cc_start: 0.7037 (ptm) cc_final: 0.6551 (ptm) REVERT: F 477 MET cc_start: 0.9260 (tpt) cc_final: 0.8913 (tpp) REVERT: F 559 MET cc_start: 0.8354 (mtm) cc_final: 0.8064 (mtt) REVERT: F 685 MET cc_start: 0.7847 (tmm) cc_final: 0.7612 (tmm) REVERT: F 843 MET cc_start: 0.8975 (ptp) cc_final: 0.8720 (ptp) REVERT: J 735 MET cc_start: 0.6021 (ptt) cc_final: 0.5739 (ptt) REVERT: J 983 MET cc_start: 0.9191 (ppp) cc_final: 0.8960 (ppp) REVERT: K 344 MET cc_start: 0.9357 (tmm) cc_final: 0.9079 (ptt) REVERT: K 379 MET cc_start: 0.9129 (ptm) cc_final: 0.8815 (ppp) REVERT: L 1734 MET cc_start: 0.8842 (tpp) cc_final: 0.8526 (mmm) REVERT: M 522 MET cc_start: -0.0883 (mmp) cc_final: -0.2172 (tpt) REVERT: M 738 MET cc_start: 0.0730 (mpp) cc_final: -0.0527 (ptt) REVERT: M 752 MET cc_start: -0.2362 (mmp) cc_final: -0.2584 (mmp) REVERT: M 769 MET cc_start: 0.0147 (mtm) cc_final: -0.0834 (mtm) REVERT: R 304 MET cc_start: 0.6060 (mtt) cc_final: 0.5231 (mpp) REVERT: S 249 MET cc_start: 0.5268 (mmm) cc_final: 0.5036 (mmm) REVERT: W 249 MET cc_start: 0.7539 (mmp) cc_final: 0.7234 (pmm) REVERT: W 294 MET cc_start: 0.8983 (mtp) cc_final: 0.8699 (mtp) REVERT: X 294 MET cc_start: 0.8736 (ptt) cc_final: 0.7813 (ptt) REVERT: Y 378 MET cc_start: 0.8169 (mmt) cc_final: 0.7600 (tpp) outliers start: 1 outliers final: 0 residues processed: 399 average time/residue: 0.9555 time to fit residues: 692.4015 Evaluate side-chains 385 residues out of total 13437 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 385 time to evaluate : 10.082 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1493 random chunks: chunk 1309 optimal weight: 0.5980 chunk 1378 optimal weight: 20.0000 chunk 1257 optimal weight: 30.0000 chunk 1340 optimal weight: 10.0000 chunk 807 optimal weight: 20.0000 chunk 584 optimal weight: 2.9990 chunk 1052 optimal weight: 5.9990 chunk 411 optimal weight: 0.9990 chunk 1211 optimal weight: 30.0000 chunk 1268 optimal weight: 10.0000 chunk 1336 optimal weight: 0.4980 overall best weight: 2.2186 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** 1 139 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 139 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 14 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 289 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 373 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A 862 ASN ** C 166 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 329 GLN C 458 ASN ** C 639 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 691 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D 491 ASN ** D 703 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** E 289 ASN E 303 HIS ** E 688 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 694 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 740 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** G 289 ASN ** G 767 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** G 862 ASN H 461 HIS H 713 HIS ** H 736 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** I 529 GLN I 584 ASN J 499 ASN K 67 GLN K 393 ASN ** L 512 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** L 557 ASN ** L1516 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 261 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 289 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 487 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 862 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 270 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 345 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 139 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 139 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** P 229 ASN ** Q 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 381 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 227 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** S 322 ASN ** T 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** U 174 ASN ** U 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** U 229 ASN ** U 381 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 139 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 139 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 139 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 20 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.6355 moved from start: 0.5535 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.002 0.056 123285 Z= 0.152 Angle : 0.572 15.405 166926 Z= 0.289 Chirality : 0.040 0.261 18768 Planarity : 0.003 0.060 21306 Dihedral : 4.722 38.523 16458 Min Nonbonded Distance : 2.111 Molprobity Statistics. All-atom Clashscore : 12.25 Ramachandran Plot: Outliers : 0.01 % Allowed : 3.59 % Favored : 96.40 % Rotamer: Outliers : 0.00 % Allowed : 0.37 % Favored : 99.63 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 0.58 (0.07), residues: 14696 helix: 1.41 (0.06), residues: 8666 sheet: -0.67 (0.15), residues: 1064 loop : -1.19 (0.09), residues: 4966 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.020 0.001 TRP J 807 HIS 0.009 0.001 HIS K 591 PHE 0.025 0.001 PHE B 714 TYR 0.048 0.001 TYR L 518 ARG 0.008 0.000 ARG Y 409 *********************** REFINEMENT MACRO_CYCLE 9 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 29392 Ramachandran restraints generated. 14696 Oldfield, 0 Emsley, 14696 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 29392 Ramachandran restraints generated. 14696 Oldfield, 0 Emsley, 14696 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 402 residues out of total 13437 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 402 time to evaluate : 10.334 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: 5 25 MET cc_start: 0.8661 (ppp) cc_final: 0.8250 (tmm) REVERT: A 160 MET cc_start: 0.8331 (ptt) cc_final: 0.7864 (ptt) REVERT: C 335 MET cc_start: 0.7132 (ppp) cc_final: 0.6893 (ppp) REVERT: C 640 MET cc_start: 0.9509 (mmm) cc_final: 0.9195 (mmm) REVERT: C 697 MET cc_start: 0.7551 (mmp) cc_final: 0.6713 (mmp) REVERT: C 698 MET cc_start: 0.8792 (ppp) cc_final: 0.8151 (ppp) REVERT: C 738 MET cc_start: 0.9079 (pmm) cc_final: 0.8787 (pmm) REVERT: C 757 MET cc_start: 0.8310 (ptp) cc_final: 0.7976 (ptp) REVERT: E 686 MET cc_start: 0.7833 (tpp) cc_final: 0.7537 (tpt) REVERT: E 697 MET cc_start: 0.8704 (mmm) cc_final: 0.8188 (mmp) REVERT: E 698 MET cc_start: 0.8674 (ptt) cc_final: 0.7638 (mtt) REVERT: E 762 MET cc_start: 0.6966 (ptm) cc_final: 0.6608 (ptm) REVERT: F 477 MET cc_start: 0.9194 (tpt) cc_final: 0.8874 (tpp) REVERT: F 559 MET cc_start: 0.8232 (mtm) cc_final: 0.7914 (mtt) REVERT: F 673 MET cc_start: 0.8679 (mpp) cc_final: 0.8002 (mtm) REVERT: F 685 MET cc_start: 0.7775 (tmm) cc_final: 0.7542 (tmm) REVERT: G 160 MET cc_start: 0.7444 (ptt) cc_final: 0.7096 (ppp) REVERT: G 522 MET cc_start: 0.8652 (mpp) cc_final: 0.8410 (mpp) REVERT: I 137 MET cc_start: 0.8280 (ppp) cc_final: 0.8061 (ppp) REVERT: J 707 MET cc_start: 0.9369 (mmm) cc_final: 0.8979 (mpp) REVERT: J 983 MET cc_start: 0.9178 (ppp) cc_final: 0.8952 (ppp) REVERT: K 344 MET cc_start: 0.9304 (tmm) cc_final: 0.9087 (ptt) REVERT: K 379 MET cc_start: 0.9111 (ptm) cc_final: 0.8799 (ppp) REVERT: L 1734 MET cc_start: 0.8819 (tpp) cc_final: 0.8511 (mmm) REVERT: M 522 MET cc_start: -0.0819 (mmp) cc_final: -0.2095 (tpt) REVERT: M 738 MET cc_start: 0.0686 (mpp) cc_final: -0.0430 (ptt) REVERT: M 752 MET cc_start: -0.2195 (mmp) cc_final: -0.2400 (mmp) REVERT: M 769 MET cc_start: 0.0242 (mtm) cc_final: -0.0735 (mtm) REVERT: N 268 MET cc_start: 0.1384 (mmt) cc_final: 0.0884 (mpp) REVERT: N 657 MET cc_start: 0.6088 (mpp) cc_final: 0.5863 (mpp) REVERT: R 304 MET cc_start: 0.6034 (mtt) cc_final: 0.5674 (mpp) REVERT: S 249 MET cc_start: 0.4941 (mmm) cc_final: 0.4575 (mmp) REVERT: S 294 MET cc_start: 0.8795 (ptt) cc_final: 0.8535 (ptt) REVERT: U 413 MET cc_start: 0.8839 (mmp) cc_final: 0.8533 (ppp) REVERT: W 249 MET cc_start: 0.7342 (mmp) cc_final: 0.7110 (pmm) REVERT: W 294 MET cc_start: 0.9002 (mtp) cc_final: 0.8708 (mtp) REVERT: X 294 MET cc_start: 0.8686 (ptt) cc_final: 0.7802 (ptt) REVERT: Y 294 MET cc_start: 0.6627 (pmm) cc_final: 0.5854 (pmm) REVERT: Y 378 MET cc_start: 0.8167 (mmt) cc_final: 0.7713 (tpp) outliers start: 0 outliers final: 0 residues processed: 402 average time/residue: 0.9649 time to fit residues: 703.9432 Evaluate side-chains 388 residues out of total 13437 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 388 time to evaluate : 10.164 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1493 random chunks: chunk 880 optimal weight: 7.9990 chunk 1417 optimal weight: 20.0000 chunk 865 optimal weight: 10.0000 chunk 672 optimal weight: 0.9990 chunk 985 optimal weight: 50.0000 chunk 1487 optimal weight: 9.9990 chunk 1368 optimal weight: 4.9990 chunk 1184 optimal weight: 4.9990 chunk 122 optimal weight: 50.0000 chunk 914 optimal weight: 9.9990 chunk 726 optimal weight: 6.9990 overall best weight: 5.1990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** 1 139 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 1 229 ASN ** 2 139 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 14 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 289 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 373 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A 763 GLN A 862 ASN ** C 166 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 458 ASN ** C 639 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 691 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 828 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D 491 ASN D 687 ASN ** D 703 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 289 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 688 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 694 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 740 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 289 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 767 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** G 862 ASN H 401 HIS H 461 HIS H 713 HIS ** H 736 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 746 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** I 529 GLN I 584 ASN J 499 ASN J 823 GLN ** L1516 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 261 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 289 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 487 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 862 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 270 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 345 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 139 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 139 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 325 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 302 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 227 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** R 394 GLN ** T 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** U 174 ASN ** U 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** U 229 ASN ** V 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 139 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 139 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 139 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 17 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.6405 moved from start: 0.5720 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.083 123285 Z= 0.205 Angle : 0.597 23.338 166926 Z= 0.304 Chirality : 0.040 0.244 18768 Planarity : 0.004 0.060 21306 Dihedral : 4.726 36.131 16458 Min Nonbonded Distance : 2.087 Molprobity Statistics. All-atom Clashscore : 14.14 Ramachandran Plot: Outliers : 0.01 % Allowed : 4.01 % Favored : 95.98 % Rotamer: Outliers : 0.00 % Allowed : 0.30 % Favored : 99.70 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 0.53 (0.07), residues: 14696 helix: 1.38 (0.06), residues: 8658 sheet: -0.76 (0.15), residues: 1086 loop : -1.22 (0.09), residues: 4952 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.018 0.001 TRP I 190 HIS 0.011 0.001 HIS T 381 PHE 0.030 0.001 PHE J 330 TYR 0.031 0.001 TYR V 169 ARG 0.008 0.000 ARG Y 409 ********************** REFINEMENT MACRO_CYCLE 10 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 29392 Ramachandran restraints generated. 14696 Oldfield, 0 Emsley, 14696 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 29392 Ramachandran restraints generated. 14696 Oldfield, 0 Emsley, 14696 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 397 residues out of total 13437 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 397 time to evaluate : 10.748 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: 5 25 MET cc_start: 0.8738 (ppp) cc_final: 0.7741 (tmm) REVERT: A 697 MET cc_start: 0.1726 (mmm) cc_final: 0.1435 (tpt) REVERT: A 698 MET cc_start: 0.5585 (tpp) cc_final: 0.4744 (tpp) REVERT: A 852 MET cc_start: 0.5352 (tpt) cc_final: 0.5004 (tpt) REVERT: C 335 MET cc_start: 0.7291 (ppp) cc_final: 0.6991 (ppp) REVERT: C 640 MET cc_start: 0.9526 (mmm) cc_final: 0.9222 (mmm) REVERT: C 697 MET cc_start: 0.7598 (mmp) cc_final: 0.6744 (mmp) REVERT: C 698 MET cc_start: 0.8823 (ppp) cc_final: 0.8433 (ppp) REVERT: C 738 MET cc_start: 0.9036 (pmm) cc_final: 0.8728 (pmm) REVERT: C 757 MET cc_start: 0.8322 (ptp) cc_final: 0.8083 (ptp) REVERT: E 522 MET cc_start: 0.8184 (mpp) cc_final: 0.7856 (mpp) REVERT: E 686 MET cc_start: 0.7807 (tpp) cc_final: 0.7536 (tpt) REVERT: E 697 MET cc_start: 0.8751 (mmm) cc_final: 0.8153 (mmp) REVERT: E 698 MET cc_start: 0.8711 (ptt) cc_final: 0.7703 (mtt) REVERT: E 762 MET cc_start: 0.6973 (ptm) cc_final: 0.6595 (ptm) REVERT: E 852 MET cc_start: 0.4517 (ttp) cc_final: 0.4203 (ttp) REVERT: F 477 MET cc_start: 0.9210 (tpt) cc_final: 0.8866 (tpp) REVERT: F 559 MET cc_start: 0.8328 (mtm) cc_final: 0.8010 (mtt) REVERT: F 673 MET cc_start: 0.8506 (mpp) cc_final: 0.7907 (mtm) REVERT: F 685 MET cc_start: 0.7798 (tmm) cc_final: 0.7558 (tmm) REVERT: G 160 MET cc_start: 0.7552 (ptt) cc_final: 0.7150 (ppp) REVERT: G 522 MET cc_start: 0.8614 (mpp) cc_final: 0.8186 (mpp) REVERT: G 532 MET cc_start: 0.8743 (mpp) cc_final: 0.8291 (mpp) REVERT: G 757 MET cc_start: 0.9393 (mmm) cc_final: 0.8767 (mpp) REVERT: J 707 MET cc_start: 0.9420 (mmm) cc_final: 0.8938 (mpp) REVERT: K 344 MET cc_start: 0.9331 (tmm) cc_final: 0.9105 (ptt) REVERT: K 379 MET cc_start: 0.9097 (ptm) cc_final: 0.8751 (ppp) REVERT: L 1734 MET cc_start: 0.8825 (tpp) cc_final: 0.8526 (mmm) REVERT: M 522 MET cc_start: -0.0868 (mmp) cc_final: -0.2110 (tpt) REVERT: M 738 MET cc_start: 0.0947 (mpp) cc_final: -0.0283 (ptt) REVERT: M 769 MET cc_start: 0.0243 (mtm) cc_final: -0.0605 (mtm) REVERT: N 268 MET cc_start: 0.1548 (mmt) cc_final: 0.1071 (mpp) REVERT: R 304 MET cc_start: 0.7340 (mtt) cc_final: 0.6883 (mpp) REVERT: R 377 MET cc_start: 0.8446 (tmm) cc_final: 0.8182 (tpp) REVERT: S 249 MET cc_start: 0.5539 (mmm) cc_final: 0.5180 (mmp) REVERT: S 270 MET cc_start: 0.8088 (ppp) cc_final: 0.7867 (ppp) REVERT: T 377 MET cc_start: 0.9005 (tmm) cc_final: 0.8544 (tmm) REVERT: V 377 MET cc_start: 0.9007 (tmm) cc_final: 0.8695 (tmm) REVERT: W 249 MET cc_start: 0.7408 (mmp) cc_final: 0.7180 (pmm) REVERT: W 294 MET cc_start: 0.8997 (mtp) cc_final: 0.8722 (mtp) REVERT: Y 294 MET cc_start: 0.6668 (pmm) cc_final: 0.5798 (pmm) REVERT: Y 378 MET cc_start: 0.8301 (mmt) cc_final: 0.7773 (tpp) outliers start: 0 outliers final: 0 residues processed: 397 average time/residue: 0.9859 time to fit residues: 711.7925 Evaluate side-chains 386 residues out of total 13437 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 386 time to evaluate : 10.180 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1493 random chunks: chunk 940 optimal weight: 5.9990 chunk 1261 optimal weight: 4.9990 chunk 362 optimal weight: 6.9990 chunk 1092 optimal weight: 0.0370 chunk 174 optimal weight: 30.0000 chunk 329 optimal weight: 20.0000 chunk 1186 optimal weight: 10.0000 chunk 496 optimal weight: 8.9990 chunk 1218 optimal weight: 8.9990 chunk 150 optimal weight: 8.9990 chunk 218 optimal weight: 4.9990 overall best weight: 4.6066 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** 1 139 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 139 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 14 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 84 GLN ** A 289 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 373 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A 565 ASN A 862 ASN C 458 ASN ** C 639 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 691 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 828 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D 491 ASN ** D 703 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 289 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 688 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 694 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 594 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 740 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 289 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 767 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** G 862 ASN H 461 HIS H 713 HIS ** H 736 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 746 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** I 529 GLN J 499 ASN K 29 GLN ** L 512 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L1516 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 261 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 289 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 487 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 862 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 270 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 345 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** O 16 GLN ** O 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 139 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 325 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 302 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 227 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** T 54 GLN ** T 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** U 229 ASN ** U 381 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 139 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 139 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 198 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 14 ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.3662 r_free = 0.3662 target = 0.040308 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 39)----------------| | r_work = 0.3355 r_free = 0.3355 target = 0.028338 restraints weight = 4665543.222| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 2; iterations = 55)----------------| | r_work = 0.3377 r_free = 0.3377 target = 0.028486 restraints weight = 2804320.515| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 3; iterations = 57)----------------| | r_work = 0.3391 r_free = 0.3391 target = 0.028793 restraints weight = 1946756.965| |-----------------------------------------------------------------------------| r_work (final): 0.3246 ------------------------------------------------------------------------------- Occupancy refinement ******************** r_start: 0.3283 |-occupancy refinement: start-------------------------------------------------| | r_work = 0.3283 r_free = 0.3283 target_work(ls_wunit_k1) = 0.028 | | occupancies: max = 1.00 min = 0.50 number of occupancies < 0.1: 0 | |-----------------------------------------------------------------------------| |-occupancy refinement: end---------------------------------------------------| | r_work = 0.3283 r_free = 0.3283 target_work(ls_wunit_k1) = 0.028 | | occupancies: max = 1.00 min = 0.36 number of occupancies < 0.1: 0 | |-----------------------------------------------------------------------------| r_final: 0.3283 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.6929 moved from start: 0.5896 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.065 123285 Z= 0.189 Angle : 0.585 14.668 166926 Z= 0.298 Chirality : 0.040 0.262 18768 Planarity : 0.004 0.060 21306 Dihedral : 4.719 34.692 16458 Min Nonbonded Distance : 2.089 Molprobity Statistics. All-atom Clashscore : 14.06 Ramachandran Plot: Outliers : 0.01 % Allowed : 3.98 % Favored : 96.01 % Rotamer: Outliers : 0.00 % Allowed : 0.29 % Favored : 99.71 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 0.54 (0.07), residues: 14696 helix: 1.40 (0.06), residues: 8661 sheet: -0.77 (0.15), residues: 1086 loop : -1.22 (0.09), residues: 4949 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.021 0.001 TRP J 366 HIS 0.008 0.001 HIS K 591 PHE 0.038 0.001 PHE J 330 TYR 0.027 0.001 TYR L 518 ARG 0.012 0.000 ARG G 297 Origin is already at (0, 0, 0), no shifts will be applied =============================================================================== Job complete usr+sys time: 20865.28 seconds wall clock time: 345 minutes 5.73 seconds (20705.73 seconds total)