Starting phenix.real_space_refine (version: 1.21rc1) on Mon Apr 24 04:57:12 2023 by dcliebschner =============================================================================== Processing files: ------------------------------------------------------------------------------- Found model, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6m2w_30067/04_2023/6m2w_30067_updated.pdb Found real_map, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6m2w_30067/04_2023/6m2w_30067.map Processing PHIL parameters: ------------------------------------------------------------------------------- Adding command-line PHIL: ------------------------- refinement.macro_cycles=10 scattering_table=electron resolution=3.8 write_initial_geo_file=False Final processed PHIL parameters: ------------------------------------------------------------------------------- data_manager { real_map_files = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6m2w_30067/04_2023/6m2w_30067.map" default_real_map = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6m2w_30067/04_2023/6m2w_30067.map" model { file = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6m2w_30067/04_2023/6m2w_30067_updated.pdb" } default_model = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6m2w_30067/04_2023/6m2w_30067_updated.pdb" } resolution = 3.8 write_initial_geo_file = False refinement { macro_cycles = 10 } Starting job =============================================================================== ------------------------------------------------------------------------------- Citation: ********* Afonine PV, Poon BK, Read RJ, Sobolev OV, Terwilliger TC, Urzhumtsev A, Adams PD. (2018) Real-space refinement in PHENIX for cryo-EM and crystallography. Acta Cryst. D74:531-544. Validating inputs ------------------------------------------------------------------------------- Processing inputs ***************** Set random seed Set to: 0 Set model cs if undefined Decide on map wrapping Map wrapping is set to: False Normalize map: mean=0, sd=1 Input map: mean= 0.001 sd= 0.008 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: 9 Type Number sf(0) Gaussians Ca 4 9.91 5 Br 4 7.06 5 Zn 4 6.06 5 P 12 5.49 5 S 764 5.16 5 Cl 8 4.86 5 C 76668 2.51 5 N 21436 2.21 5 O 21552 1.98 5 sf(0) = scattering factor at diffraction angle 0. Process input model Symmetric amino acids flipped Residue "A GLU 50": "OE1" <-> "OE2" Residue "A ARG 76": "NH1" <-> "NH2" Residue "A GLU 80": "OE1" <-> "OE2" Residue "A ARG 115": "NH1" <-> "NH2" Residue "A TYR 117": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A ASP 134": "OD1" <-> "OD2" Residue "A GLU 159": "OE1" <-> "OE2" Residue "A ARG 178": "NH1" <-> "NH2" Residue "A TYR 179": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A ASP 192": "OD1" <-> "OD2" Residue "A GLU 263": "OE1" <-> "OE2" Residue "A ARG 266": "NH1" <-> "NH2" Residue "A PHE 314": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A PHE 347": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A PHE 414": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A ARG 426": "NH1" <-> "NH2" Residue "A TYR 451": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A PHE 452": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A GLU 481": "OE1" <-> "OE2" Residue "A ASP 492": "OD1" <-> "OD2" Residue "A TYR 497": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A TYR 506": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A ASP 545": "OD1" <-> "OD2" Residue "A ASP 552": "OD1" <-> "OD2" Residue "A GLU 562": "OE1" <-> "OE2" Residue "A ASP 591": "OD1" <-> "OD2" Residue "A ASP 601": "OD1" <-> "OD2" Residue "A ASP 619": "OD1" <-> "OD2" Residue "A GLU 690": "OE1" <-> "OE2" Residue "A TYR 692": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A TYR 712": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A ASP 742": "OD1" <-> "OD2" Residue "A ASP 749": "OD1" <-> "OD2" Residue "A GLU 769": "OE1" <-> "OE2" Residue "A PHE 791": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A PHE 802": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A TYR 829": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A TYR 893": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A ARG 1076": "NH1" <-> "NH2" Residue "A TYR 1081": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A GLU 1099": "OE1" <-> "OE2" Residue "A PHE 1139": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A ASP 1154": "OD1" <-> "OD2" Residue "A GLU 1157": "OE1" <-> "OE2" Residue "A PHE 1162": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A GLU 1167": "OE1" <-> "OE2" Residue "A GLU 1176": "OE1" <-> "OE2" Residue "A ASP 1186": "OD1" <-> "OD2" Residue "A ARG 1232": "NH1" <-> "NH2" Residue "A TYR 1255": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A ASP 1261": "OD1" <-> "OD2" Residue "A ARG 1271": "NH1" <-> "NH2" Residue "A GLU 1285": "OE1" <-> "OE2" Residue "A PHE 1301": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A TYR 1433": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A GLU 1444": "OE1" <-> "OE2" Residue "A PHE 1500": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A ASP 1513": "OD1" <-> "OD2" Residue "A PHE 1549": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A PHE 1564": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A GLU 1565": "OE1" <-> "OE2" Residue "A GLU 1596": "OE1" <-> "OE2" Residue "A ARG 1607": "NH1" <-> "NH2" Residue "A ARG 1623": "NH1" <-> "NH2" Residue "A ASP 1632": "OD1" <-> "OD2" Residue "A ARG 1656": "NH1" <-> "NH2" Residue "A ASP 1658": "OD1" <-> "OD2" Residue "A ASP 1700": "OD1" <-> "OD2" Residue "A GLU 1721": "OE1" <-> "OE2" Residue "A ARG 1725": "NH1" <-> "NH2" Residue "A GLU 1733": "OE1" <-> "OE2" Residue "A TYR 1734": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A ARG 1743": "NH1" <-> "NH2" Residue "A PHE 1748": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A ARG 1797": "NH1" <-> "NH2" Residue "A GLU 1817": "OE1" <-> "OE2" Residue "A ARG 1827": "NH1" <-> "NH2" Residue "A PHE 1836": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A GLU 1857": "OE1" <-> "OE2" Residue "A TYR 1945": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A GLU 1963": "OE1" <-> "OE2" Residue "A ARG 1996": "NH1" <-> "NH2" Residue "A GLU 1997": "OE1" <-> "OE2" Residue "A PHE 2012": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A ARG 2140": "NH1" <-> "NH2" Residue "A GLU 2205": "OE1" <-> "OE2" Residue "A GLU 2209": "OE1" <-> "OE2" Residue "A TYR 2238": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A ARG 2244": "NH1" <-> "NH2" Residue "A ASP 2274": "OD1" <-> "OD2" Residue "A GLU 2285": "OE1" <-> "OE2" Residue "A GLU 2296": "OE1" <-> "OE2" Residue "A TYR 2301": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A ASP 2333": "OD1" <-> "OD2" Residue "A PHE 2337": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A ASP 2431": "OD1" <-> "OD2" Residue "A GLU 2439": "OE1" <-> "OE2" Residue "A ARG 2452": "NH1" <-> "NH2" Residue "A ASP 2464": "OD1" <-> "OD2" Residue "A ASP 2523": "OD1" <-> "OD2" Residue "A PHE 2526": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A ASP 2529": "OD1" <-> "OD2" Residue "A ARG 2625": "NH1" <-> "NH2" Residue "A PHE 2628": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A ARG 3648": "NH1" <-> "NH2" Residue "A PHE 3653": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A ASP 3671": "OD1" <-> "OD2" Residue "A ARG 3672": "NH1" <-> "NH2" Residue "A ASP 3676": "OD1" <-> "OD2" Residue "A ASP 3717": "OD1" <-> "OD2" Residue "A ASP 3719": "OD1" <-> "OD2" Residue "A TYR 3725": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A ASP 3727": "OD1" <-> "OD2" Residue "A GLU 3757": "OE1" <-> "OE2" Residue "A GLU 3759": "OE1" <-> "OE2" Residue "A TYR 3819": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A ASP 3843": "OD1" <-> "OD2" Residue "A GLU 3848": "OE1" <-> "OE2" Residue "A ASP 3877": "OD1" <-> "OD2" Residue "A ASP 3878": "OD1" <-> "OD2" Residue "A GLU 3879": "OE1" <-> "OE2" Residue "A ARG 3886": "NH1" <-> "NH2" Residue "A GLU 3893": "OE1" <-> "OE2" Residue "A ARG 3904": "NH1" <-> "NH2" Residue "A ASP 3921": "OD1" <-> "OD2" Residue "A GLU 3928": "OE1" <-> "OE2" Residue "A ASP 3932": "OD1" <-> "OD2" Residue "A GLU 3944": "OE1" <-> "OE2" Residue "A ARG 3949": "NH1" <-> "NH2" Residue "A ARG 3984": "NH1" <-> "NH2" Residue "A ASP 4006": "OD1" <-> "OD2" Residue "A GLU 4015": "OE1" <-> "OE2" Residue "A GLU 4032": "OE1" <-> "OE2" Residue "A ARG 4042": "NH1" <-> "NH2" Residue "A ASP 4046": "OD1" <-> "OD2" Residue "A GLU 4056": "OE1" <-> "OE2" Residue "A TYR 4080": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A GLU 4116": "OE1" <-> "OE2" Residue "A PHE 4125": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A GLU 4127": "OE1" <-> "OE2" Residue "A PHE 4132": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A ARG 4137": "NH1" <-> "NH2" Residue "A ASP 4138": "OD1" <-> "OD2" Residue "A ARG 4159": "NH1" <-> "NH2" Residue "A GLU 4165": "OE1" <-> "OE2" Residue "A GLU 4172": "OE1" <-> "OE2" Residue "A ARG 4175": "NH1" <-> "NH2" Residue "A GLU 4182": "OE1" <-> "OE2" Residue "A GLU 4191": "OE1" <-> "OE2" Residue "A ARG 4192": "NH1" <-> "NH2" Residue "A GLU 4196": "OE1" <-> "OE2" Residue "A GLU 4206": "OE1" <-> "OE2" Residue "A GLU 4212": "OE1" <-> "OE2" Residue "A ARG 4215": "NH1" <-> "NH2" Residue "A ASP 4240": "OD1" <-> "OD2" Residue "A GLU 4244": "OE1" <-> "OE2" Residue "A ARG 4548": "NH1" <-> "NH2" Residue "A ARG 4557": "NH1" <-> "NH2" Residue "A ARG 4563": "NH1" <-> "NH2" Residue "A PHE 4564": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A TYR 4580": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A TYR 4638": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A PHE 4671": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A ARG 4673": "NH1" <-> "NH2" Residue "A GLU 4674": "OE1" <-> "OE2" Residue "A ARG 4703": "NH1" <-> "NH2" Residue "A PHE 4711": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A ASP 4717": "OD1" <-> "OD2" Residue "A ARG 4722": "NH1" <-> "NH2" Residue "A ARG 4734": "NH1" <-> "NH2" Residue "A ARG 4736": "NH1" <-> "NH2" Residue "A ASP 4772": "OD1" <-> "OD2" Residue "A PHE 4780": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A ASP 4786": "OD1" <-> "OD2" Residue "A TYR 4795": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A TYR 4804": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A PHE 4807": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A ASP 4815": "OD1" <-> "OD2" Residue "A ARG 4824": "NH1" <-> "NH2" Residue "A PHE 4856": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A PHE 4858": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A PHE 4859": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A ARG 4860": "NH1" <-> "NH2" Residue "A ASP 4870": "OD1" <-> "OD2" Residue "A ASP 4873": "OD1" <-> "OD2" Residue "A ASP 4877": "OD1" <-> "OD2" Residue "A ARG 4892": "NH1" <-> "NH2" Residue "A GLU 4900": "OE1" <-> "OE2" Residue "A ASP 4903": "OD1" <-> "OD2" Residue "A ARG 4913": "NH1" <-> "NH2" Residue "A ASP 4917": "OD1" <-> "OD2" Residue "A ASP 4938": "OD1" <-> "OD2" Residue "A GLU 4942": "OE1" <-> "OE2" Residue "A ASP 4945": "OD1" <-> "OD2" Residue "A GLU 4952": "OE1" <-> "OE2" Residue "A ASP 4953": "OD1" <-> "OD2" Residue "A TYR 4967": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A GLU 4981": "OE1" <-> "OE2" Residue "A GLU 4982": "OE1" <-> "OE2" Residue "A PHE 4991": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A ASP 4999": "OD1" <-> "OD2" Residue "A GLU 5007": "OE1" <-> "OE2" Residue "A GLU 5016": "OE1" <-> "OE2" Residue "A ARG 5017": "NH1" <-> "NH2" Residue "A ASP 5020": "OD1" <-> "OD2" Residue "A PHE 5028": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A ARG 5029": "NH1" <-> "NH2" Residue "B GLU 3": "OE1" <-> "OE2" Residue "B PHE 15": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B ASP 37": "OD1" <-> "OD2" Residue "B PHE 59": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B GLU 60": "OE1" <-> "OE2" Residue "B GLU 61": "OE1" <-> "OE2" Residue "B TYR 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B ASP 100": "OD1" <-> "OD2" Residue "C ASP 3": "OD1" <-> "OD2" Residue "C GLU 7": "OE1" <-> "OE2" Residue "C GLU 8": "OE1" <-> "OE2" Residue "C GLU 15": "OE1" <-> "OE2" Residue "C PHE 20": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C ASP 23": "OD1" <-> "OD2" Residue "C GLU 46": "OE1" <-> "OE2" Residue "C GLU 48": "OE1" <-> "OE2" Residue "C GLU 55": "OE1" <-> "OE2" Residue "C ASP 81": "OD1" <-> "OD2" Residue "C GLU 85": "OE1" <-> "OE2" Residue "C PHE 93": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C ASP 123": "OD1" <-> "OD2" Residue "C ARG 127": "NH1" <-> "NH2" Residue "D GLU 50": "OE1" <-> "OE2" Residue "D ARG 76": "NH1" <-> "NH2" Residue "D GLU 80": "OE1" <-> "OE2" Residue "D ARG 115": "NH1" <-> "NH2" Residue "D TYR 117": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D ASP 134": "OD1" <-> "OD2" Residue "D GLU 159": "OE1" <-> "OE2" Residue "D ARG 178": "NH1" <-> "NH2" Residue "D TYR 179": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D ASP 192": "OD1" <-> "OD2" Residue "D GLU 263": "OE1" <-> "OE2" Residue "D ARG 266": "NH1" <-> "NH2" Residue "D PHE 314": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D PHE 347": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D PHE 414": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D ARG 426": "NH1" <-> "NH2" Residue "D TYR 451": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D PHE 452": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D GLU 481": "OE1" <-> "OE2" Residue "D ASP 492": "OD1" <-> "OD2" Residue "D TYR 497": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D TYR 506": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D ASP 545": "OD1" <-> "OD2" Residue "D ASP 552": "OD1" <-> "OD2" Residue "D GLU 562": "OE1" <-> "OE2" Residue "D ASP 591": "OD1" <-> "OD2" Residue "D ASP 601": "OD1" <-> "OD2" Residue "D ASP 619": "OD1" <-> "OD2" Residue "D GLU 690": "OE1" <-> "OE2" Residue "D TYR 692": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D TYR 712": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D ASP 742": "OD1" <-> "OD2" Residue "D ASP 749": "OD1" <-> "OD2" Residue "D GLU 769": "OE1" <-> "OE2" Residue "D PHE 791": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D PHE 802": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D TYR 829": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D TYR 893": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D ARG 1076": "NH1" <-> "NH2" Residue "D TYR 1081": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D GLU 1099": "OE1" <-> "OE2" Residue "D PHE 1139": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D ASP 1154": "OD1" <-> "OD2" Residue "D GLU 1157": "OE1" <-> "OE2" Residue "D PHE 1162": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D GLU 1167": "OE1" <-> "OE2" Residue "D GLU 1176": "OE1" <-> "OE2" Residue "D ASP 1186": "OD1" <-> "OD2" Residue "D ARG 1232": "NH1" <-> "NH2" Residue "D TYR 1255": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D ASP 1261": "OD1" <-> "OD2" Residue "D ARG 1271": "NH1" <-> "NH2" Residue "D GLU 1285": "OE1" <-> "OE2" Residue "D PHE 1301": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D TYR 1433": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D GLU 1444": "OE1" <-> "OE2" Residue "D PHE 1500": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D ASP 1513": "OD1" <-> "OD2" Residue "D PHE 1549": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D PHE 1564": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D GLU 1565": "OE1" <-> "OE2" Residue "D GLU 1596": "OE1" <-> "OE2" Residue "D ARG 1607": "NH1" <-> "NH2" Residue "D ARG 1623": "NH1" <-> "NH2" Residue "D ASP 1632": "OD1" <-> "OD2" Residue "D ARG 1656": "NH1" <-> "NH2" Residue "D ASP 1658": "OD1" <-> "OD2" Residue "D ASP 1700": "OD1" <-> "OD2" Residue "D GLU 1721": "OE1" <-> "OE2" Residue "D ARG 1725": "NH1" <-> "NH2" Residue "D GLU 1733": "OE1" <-> "OE2" Residue "D TYR 1734": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D ARG 1743": "NH1" <-> "NH2" Residue "D PHE 1748": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D ARG 1797": "NH1" <-> "NH2" Residue "D GLU 1817": "OE1" <-> "OE2" Residue "D ARG 1827": "NH1" <-> "NH2" Residue "D PHE 1836": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D GLU 1857": "OE1" <-> "OE2" Residue "D TYR 1945": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D GLU 1963": "OE1" <-> "OE2" Residue "D ARG 1996": "NH1" <-> "NH2" Residue "D GLU 1997": "OE1" <-> "OE2" Residue "D PHE 2012": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D ARG 2140": "NH1" <-> "NH2" Residue "D GLU 2205": "OE1" <-> "OE2" Residue "D GLU 2209": "OE1" <-> "OE2" Residue "D TYR 2238": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D ARG 2244": "NH1" <-> "NH2" Residue "D ASP 2274": "OD1" <-> "OD2" Residue "D GLU 2285": "OE1" <-> "OE2" Residue "D GLU 2296": "OE1" <-> "OE2" Residue "D TYR 2301": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D ASP 2333": "OD1" <-> "OD2" Residue "D PHE 2337": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D ASP 2431": "OD1" <-> "OD2" Residue "D GLU 2439": "OE1" <-> "OE2" Residue "D ARG 2452": "NH1" <-> "NH2" Residue "D ASP 2464": "OD1" <-> "OD2" Residue "D ASP 2523": "OD1" <-> "OD2" Residue "D PHE 2526": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D ASP 2529": "OD1" <-> "OD2" Residue "D ARG 2625": "NH1" <-> "NH2" Residue "D PHE 2628": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D ARG 3648": "NH1" <-> "NH2" Residue "D PHE 3653": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D ASP 3671": "OD1" <-> "OD2" Residue "D ARG 3672": "NH1" <-> "NH2" Residue "D ASP 3676": "OD1" <-> "OD2" Residue "D ASP 3717": "OD1" <-> "OD2" Residue "D ASP 3719": "OD1" <-> "OD2" Residue "D TYR 3725": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D ASP 3727": "OD1" <-> "OD2" Residue "D GLU 3757": "OE1" <-> "OE2" Residue "D GLU 3759": "OE1" <-> "OE2" Residue "D TYR 3819": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D ASP 3843": "OD1" <-> "OD2" Residue "D GLU 3848": "OE1" <-> "OE2" Residue "D ASP 3877": "OD1" <-> "OD2" Residue "D ASP 3878": "OD1" <-> "OD2" Residue "D GLU 3879": "OE1" <-> "OE2" Residue "D ARG 3886": "NH1" <-> "NH2" Residue "D GLU 3893": "OE1" <-> "OE2" Residue "D ARG 3904": "NH1" <-> "NH2" Residue "D ASP 3921": "OD1" <-> "OD2" Residue "D GLU 3928": "OE1" <-> "OE2" Residue "D ASP 3932": "OD1" <-> "OD2" Residue "D GLU 3944": "OE1" <-> "OE2" Residue "D ARG 3949": "NH1" <-> "NH2" Residue "D ARG 3984": "NH1" <-> "NH2" Residue "D ASP 4006": "OD1" <-> "OD2" Residue "D GLU 4015": "OE1" <-> "OE2" Residue "D GLU 4032": "OE1" <-> "OE2" Residue "D ARG 4042": "NH1" <-> "NH2" Residue "D ASP 4046": "OD1" <-> "OD2" Residue "D GLU 4056": "OE1" <-> "OE2" Residue "D TYR 4080": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D GLU 4116": "OE1" <-> "OE2" Residue "D PHE 4125": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D GLU 4127": "OE1" <-> "OE2" Residue "D PHE 4132": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D ARG 4137": "NH1" <-> "NH2" Residue "D ASP 4138": "OD1" <-> "OD2" Residue "D ARG 4159": "NH1" <-> "NH2" Residue "D GLU 4165": "OE1" <-> "OE2" Residue "D GLU 4172": "OE1" <-> "OE2" Residue "D ARG 4175": "NH1" <-> "NH2" Residue "D GLU 4182": "OE1" <-> "OE2" Residue "D GLU 4191": "OE1" <-> "OE2" Residue "D ARG 4192": "NH1" <-> "NH2" Residue "D GLU 4196": "OE1" <-> "OE2" Residue "D GLU 4206": "OE1" <-> "OE2" Residue "D GLU 4212": "OE1" <-> "OE2" Residue "D ARG 4215": "NH1" <-> "NH2" Residue "D ASP 4240": "OD1" <-> "OD2" Residue "D GLU 4244": "OE1" <-> "OE2" Residue "D ARG 4548": "NH1" <-> "NH2" Residue "D ARG 4557": "NH1" <-> "NH2" Residue "D ARG 4563": "NH1" <-> "NH2" Residue "D PHE 4564": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D TYR 4580": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D TYR 4638": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D PHE 4671": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D ARG 4673": "NH1" <-> "NH2" Residue "D GLU 4674": "OE1" <-> "OE2" Residue "D ARG 4703": "NH1" <-> "NH2" Residue "D PHE 4711": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D ASP 4717": "OD1" <-> "OD2" Residue "D ARG 4722": "NH1" <-> "NH2" Residue "D ARG 4734": "NH1" <-> "NH2" Residue "D ARG 4736": "NH1" <-> "NH2" Residue "D ASP 4772": "OD1" <-> "OD2" Residue "D PHE 4780": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D ASP 4786": "OD1" <-> "OD2" Residue "D TYR 4795": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D TYR 4804": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D PHE 4807": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D ASP 4815": "OD1" <-> "OD2" Residue "D ARG 4824": "NH1" <-> "NH2" Residue "D PHE 4856": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D PHE 4858": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D PHE 4859": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D ARG 4860": "NH1" <-> "NH2" Residue "D ASP 4870": "OD1" <-> "OD2" Residue "D ASP 4873": "OD1" <-> "OD2" Residue "D ASP 4877": "OD1" <-> "OD2" Residue "D ARG 4892": "NH1" <-> "NH2" Residue "D GLU 4900": "OE1" <-> "OE2" Residue "D ASP 4903": "OD1" <-> "OD2" Residue "D ARG 4913": "NH1" <-> "NH2" Residue "D ASP 4917": "OD1" <-> "OD2" Residue "D ASP 4938": "OD1" <-> "OD2" Residue "D GLU 4942": "OE1" <-> "OE2" Residue "D ASP 4945": "OD1" <-> "OD2" Residue "D GLU 4952": "OE1" <-> "OE2" Residue "D ASP 4953": "OD1" <-> "OD2" Residue "D TYR 4967": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D GLU 4981": "OE1" <-> "OE2" Residue "D GLU 4982": "OE1" <-> "OE2" Residue "D PHE 4991": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D ASP 4999": "OD1" <-> "OD2" Residue "D GLU 5007": "OE1" <-> "OE2" Residue "D GLU 5016": "OE1" <-> "OE2" Residue "D ARG 5017": "NH1" <-> "NH2" Residue "D ASP 5020": "OD1" <-> "OD2" Residue "D PHE 5028": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D ARG 5029": "NH1" <-> "NH2" Residue "E GLU 3": "OE1" <-> "OE2" Residue "E PHE 15": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E ASP 37": "OD1" <-> "OD2" Residue "E PHE 59": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E GLU 60": "OE1" <-> "OE2" Residue "E GLU 61": "OE1" <-> "OE2" Residue "E TYR 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E ASP 100": "OD1" <-> "OD2" Residue "F ASP 3": "OD1" <-> "OD2" Residue "F GLU 7": "OE1" <-> "OE2" Residue "F GLU 8": "OE1" <-> "OE2" Residue "F GLU 15": "OE1" <-> "OE2" Residue "F PHE 20": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F ASP 23": "OD1" <-> "OD2" Residue "F GLU 46": "OE1" <-> "OE2" Residue "F GLU 48": "OE1" <-> "OE2" Residue "F GLU 55": "OE1" <-> "OE2" Residue "F ASP 81": "OD1" <-> "OD2" Residue "F GLU 85": "OE1" <-> "OE2" Residue "F PHE 93": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F ASP 123": "OD1" <-> "OD2" Residue "F ARG 127": "NH1" <-> "NH2" Residue "G GLU 50": "OE1" <-> "OE2" Residue "G ARG 76": "NH1" <-> "NH2" Residue "G GLU 80": "OE1" <-> "OE2" Residue "G ARG 115": "NH1" <-> "NH2" Residue "G TYR 117": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G ASP 134": "OD1" <-> "OD2" Residue "G GLU 159": "OE1" <-> "OE2" Residue "G ARG 178": "NH1" <-> "NH2" Residue "G TYR 179": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G ASP 192": "OD1" <-> "OD2" Residue "G GLU 263": "OE1" <-> "OE2" Residue "G ARG 266": "NH1" <-> "NH2" Residue "G PHE 314": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G PHE 347": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G PHE 414": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G ARG 426": "NH1" <-> "NH2" Residue "G TYR 451": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G PHE 452": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G GLU 481": "OE1" <-> "OE2" Residue "G ASP 492": "OD1" <-> "OD2" Residue "G TYR 497": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G TYR 506": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G ASP 545": "OD1" <-> "OD2" Residue "G ASP 552": "OD1" <-> "OD2" Residue "G GLU 562": "OE1" <-> "OE2" Residue "G ASP 591": "OD1" <-> "OD2" Residue "G ASP 601": "OD1" <-> "OD2" Residue "G ASP 619": "OD1" <-> "OD2" Residue "G GLU 690": "OE1" <-> "OE2" Residue "G TYR 692": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G TYR 712": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G ASP 742": "OD1" <-> "OD2" Residue "G ASP 749": "OD1" <-> "OD2" Residue "G GLU 769": "OE1" <-> "OE2" Residue "G PHE 791": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G PHE 802": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G TYR 829": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G TYR 893": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G ARG 1076": "NH1" <-> "NH2" Residue "G TYR 1081": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G GLU 1099": "OE1" <-> "OE2" Residue "G PHE 1139": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G ASP 1154": "OD1" <-> "OD2" Residue "G GLU 1157": "OE1" <-> "OE2" Residue "G PHE 1162": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G GLU 1167": "OE1" <-> "OE2" Residue "G GLU 1176": "OE1" <-> "OE2" Residue "G ASP 1186": "OD1" <-> "OD2" Residue "G ARG 1232": "NH1" <-> "NH2" Residue "G TYR 1255": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G ASP 1261": "OD1" <-> "OD2" Residue "G ARG 1271": "NH1" <-> "NH2" Residue "G GLU 1285": "OE1" <-> "OE2" Residue "G PHE 1301": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G TYR 1433": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G GLU 1444": "OE1" <-> "OE2" Residue "G PHE 1500": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G ASP 1513": "OD1" <-> "OD2" Residue "G PHE 1549": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G PHE 1564": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G GLU 1565": "OE1" <-> "OE2" Residue "G GLU 1596": "OE1" <-> "OE2" Residue "G ARG 1607": "NH1" <-> "NH2" Residue "G ARG 1623": "NH1" <-> "NH2" Residue "G ASP 1632": "OD1" <-> "OD2" Residue "G ARG 1656": "NH1" <-> "NH2" Residue "G ASP 1658": "OD1" <-> "OD2" Residue "G ASP 1700": "OD1" <-> "OD2" Residue "G GLU 1721": "OE1" <-> "OE2" Residue "G ARG 1725": "NH1" <-> "NH2" Residue "G GLU 1733": "OE1" <-> "OE2" Residue "G TYR 1734": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G ARG 1743": "NH1" <-> "NH2" Residue "G PHE 1748": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G ARG 1797": "NH1" <-> "NH2" Residue "G GLU 1817": "OE1" <-> "OE2" Residue "G ARG 1827": "NH1" <-> "NH2" Residue "G PHE 1836": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G GLU 1857": "OE1" <-> "OE2" Residue "G TYR 1945": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G GLU 1963": "OE1" <-> "OE2" Residue "G ARG 1996": "NH1" <-> "NH2" Residue "G GLU 1997": "OE1" <-> "OE2" Residue "G PHE 2012": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G ARG 2140": "NH1" <-> "NH2" Residue "G GLU 2205": "OE1" <-> "OE2" Residue "G GLU 2209": "OE1" <-> "OE2" Residue "G TYR 2238": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G ARG 2244": "NH1" <-> "NH2" Residue "G ASP 2274": "OD1" <-> "OD2" Residue "G GLU 2285": "OE1" <-> "OE2" Residue "G GLU 2296": "OE1" <-> "OE2" Residue "G TYR 2301": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G ASP 2333": "OD1" <-> "OD2" Residue "G PHE 2337": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G ASP 2431": "OD1" <-> "OD2" Residue "G GLU 2439": "OE1" <-> "OE2" Residue "G ARG 2452": "NH1" <-> "NH2" Residue "G ASP 2464": "OD1" <-> "OD2" Residue "G ASP 2523": "OD1" <-> "OD2" Residue "G PHE 2526": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G ASP 2529": "OD1" <-> "OD2" Residue "G ARG 2625": "NH1" <-> "NH2" Residue "G PHE 2628": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G ARG 3648": "NH1" <-> "NH2" Residue "G PHE 3653": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G ASP 3671": "OD1" <-> "OD2" Residue "G ARG 3672": "NH1" <-> "NH2" Residue "G ASP 3676": "OD1" <-> "OD2" Residue "G ASP 3717": "OD1" <-> "OD2" Residue "G ASP 3719": "OD1" <-> "OD2" Residue "G TYR 3725": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G ASP 3727": "OD1" <-> "OD2" Residue "G GLU 3757": "OE1" <-> "OE2" Residue "G GLU 3759": "OE1" <-> "OE2" Residue "G TYR 3819": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G ASP 3843": "OD1" <-> "OD2" Residue "G GLU 3848": "OE1" <-> "OE2" Residue "G ASP 3877": "OD1" <-> "OD2" Residue "G ASP 3878": "OD1" <-> "OD2" Residue "G GLU 3879": "OE1" <-> "OE2" Residue "G ARG 3886": "NH1" <-> "NH2" Residue "G GLU 3893": "OE1" <-> "OE2" Residue "G ARG 3904": "NH1" <-> "NH2" Residue "G ASP 3921": "OD1" <-> "OD2" Residue "G GLU 3928": "OE1" <-> "OE2" Residue "G ASP 3932": "OD1" <-> "OD2" Residue "G GLU 3944": "OE1" <-> "OE2" Residue "G ARG 3949": "NH1" <-> "NH2" Residue "G ARG 3984": "NH1" <-> "NH2" Residue "G ASP 4006": "OD1" <-> "OD2" Residue "G GLU 4015": "OE1" <-> "OE2" Residue "G GLU 4032": "OE1" <-> "OE2" Residue "G ARG 4042": "NH1" <-> "NH2" Residue "G ASP 4046": "OD1" <-> "OD2" Residue "G GLU 4056": "OE1" <-> "OE2" Residue "G TYR 4080": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G GLU 4116": "OE1" <-> "OE2" Residue "G PHE 4125": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G GLU 4127": "OE1" <-> "OE2" Residue "G PHE 4132": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G ARG 4137": "NH1" <-> "NH2" Residue "G ASP 4138": "OD1" <-> "OD2" Residue "G ARG 4159": "NH1" <-> "NH2" Residue "G GLU 4165": "OE1" <-> "OE2" Residue "G GLU 4172": "OE1" <-> "OE2" Residue "G ARG 4175": "NH1" <-> "NH2" Residue "G GLU 4182": "OE1" <-> "OE2" Residue "G GLU 4191": "OE1" <-> "OE2" Residue "G ARG 4192": "NH1" <-> "NH2" Residue "G GLU 4196": "OE1" <-> "OE2" Residue "G GLU 4206": "OE1" <-> "OE2" Residue "G GLU 4212": "OE1" <-> "OE2" Residue "G ARG 4215": "NH1" <-> "NH2" Residue "G ASP 4240": "OD1" <-> "OD2" Residue "G GLU 4244": "OE1" <-> "OE2" Residue "G ARG 4548": "NH1" <-> "NH2" Residue "G ARG 4557": "NH1" <-> "NH2" Residue "G ARG 4563": "NH1" <-> "NH2" Residue "G PHE 4564": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G TYR 4580": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G TYR 4638": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G PHE 4671": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G ARG 4673": "NH1" <-> "NH2" Residue "G GLU 4674": "OE1" <-> "OE2" Residue "G ARG 4703": "NH1" <-> "NH2" Residue "G PHE 4711": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G ASP 4717": "OD1" <-> "OD2" Residue "G ARG 4722": "NH1" <-> "NH2" Residue "G ARG 4734": "NH1" <-> "NH2" Residue "G ARG 4736": "NH1" <-> "NH2" Residue "G ASP 4772": "OD1" <-> "OD2" Residue "G PHE 4780": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G ASP 4786": "OD1" <-> "OD2" Residue "G TYR 4795": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G TYR 4804": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G PHE 4807": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G ASP 4815": "OD1" <-> "OD2" Residue "G ARG 4824": "NH1" <-> "NH2" Residue "G PHE 4856": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G PHE 4858": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G PHE 4859": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G ARG 4860": "NH1" <-> "NH2" Residue "G ASP 4870": "OD1" <-> "OD2" Residue "G ASP 4873": "OD1" <-> "OD2" Residue "G ASP 4877": "OD1" <-> "OD2" Residue "G ARG 4892": "NH1" <-> "NH2" Residue "G GLU 4900": "OE1" <-> "OE2" Residue "G ASP 4903": "OD1" <-> "OD2" Residue "G ARG 4913": "NH1" <-> "NH2" Residue "G ASP 4917": "OD1" <-> "OD2" Residue "G ASP 4938": "OD1" <-> "OD2" Residue "G GLU 4942": "OE1" <-> "OE2" Residue "G ASP 4945": "OD1" <-> "OD2" Residue "G GLU 4952": "OE1" <-> "OE2" Residue "G ASP 4953": "OD1" <-> "OD2" Residue "G TYR 4967": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G GLU 4981": "OE1" <-> "OE2" Residue "G GLU 4982": "OE1" <-> "OE2" Residue "G PHE 4991": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G ASP 4999": "OD1" <-> "OD2" Residue "G GLU 5007": "OE1" <-> "OE2" Residue "G GLU 5016": "OE1" <-> "OE2" Residue "G ARG 5017": "NH1" <-> "NH2" Residue "G ASP 5020": "OD1" <-> "OD2" Residue "G PHE 5028": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G ARG 5029": "NH1" <-> "NH2" Residue "H GLU 3": "OE1" <-> "OE2" Residue "H PHE 15": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H ASP 37": "OD1" <-> "OD2" Residue "H PHE 59": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H GLU 60": "OE1" <-> "OE2" Residue "H GLU 61": "OE1" <-> "OE2" Residue "H TYR 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H ASP 100": "OD1" <-> "OD2" Residue "I ASP 3": "OD1" <-> "OD2" Residue "I GLU 7": "OE1" <-> "OE2" Residue "I GLU 8": "OE1" <-> "OE2" Residue "I GLU 15": "OE1" <-> "OE2" Residue "I PHE 20": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I ASP 23": "OD1" <-> "OD2" Residue "I GLU 46": "OE1" <-> "OE2" Residue "I GLU 48": "OE1" <-> "OE2" Residue "I ASP 81": "OD1" <-> "OD2" Residue "I GLU 85": "OE1" <-> "OE2" Residue "I PHE 93": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I ASP 123": "OD1" <-> "OD2" Residue "I ARG 127": "NH1" <-> "NH2" Residue "J GLU 50": "OE1" <-> "OE2" Residue "J ARG 76": "NH1" <-> "NH2" Residue "J GLU 80": "OE1" <-> "OE2" Residue "J ARG 115": "NH1" <-> "NH2" Residue "J TYR 117": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J ASP 134": "OD1" <-> "OD2" Residue "J GLU 159": "OE1" <-> "OE2" Residue "J ARG 178": "NH1" <-> "NH2" Residue "J TYR 179": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J ASP 192": "OD1" <-> "OD2" Residue "J GLU 263": "OE1" <-> "OE2" Residue "J ARG 266": "NH1" <-> "NH2" Residue "J PHE 314": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J PHE 347": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J PHE 414": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J ARG 426": "NH1" <-> "NH2" Residue "J TYR 451": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J PHE 452": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J GLU 481": "OE1" <-> "OE2" Residue "J ASP 492": "OD1" <-> "OD2" Residue "J TYR 497": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J TYR 506": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J ASP 545": "OD1" <-> "OD2" Residue "J ASP 552": "OD1" <-> "OD2" Residue "J GLU 562": "OE1" <-> "OE2" Residue "J ASP 591": "OD1" <-> "OD2" Residue "J ASP 601": "OD1" <-> "OD2" Residue "J ASP 619": "OD1" <-> "OD2" Residue "J GLU 690": "OE1" <-> "OE2" Residue "J TYR 692": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J TYR 712": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J ASP 742": "OD1" <-> "OD2" Residue "J ASP 749": "OD1" <-> "OD2" Residue "J GLU 769": "OE1" <-> "OE2" Residue "J PHE 791": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J PHE 802": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J TYR 829": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J TYR 893": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J ARG 1076": "NH1" <-> "NH2" Residue "J TYR 1081": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J GLU 1099": "OE1" <-> "OE2" Residue "J PHE 1139": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J ASP 1154": "OD1" <-> "OD2" Residue "J GLU 1157": "OE1" <-> "OE2" Residue "J PHE 1162": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J GLU 1167": "OE1" <-> "OE2" Residue "J GLU 1176": "OE1" <-> "OE2" Residue "J ASP 1186": "OD1" <-> "OD2" Residue "J ARG 1232": "NH1" <-> "NH2" Residue "J TYR 1255": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J ASP 1261": "OD1" <-> "OD2" Residue "J ARG 1271": "NH1" <-> "NH2" Residue "J GLU 1285": "OE1" <-> "OE2" Residue "J PHE 1301": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J TYR 1433": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J GLU 1444": "OE1" <-> "OE2" Residue "J PHE 1500": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J ASP 1513": "OD1" <-> "OD2" Residue "J PHE 1549": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J PHE 1564": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J GLU 1565": "OE1" <-> "OE2" Residue "J GLU 1596": "OE1" <-> "OE2" Residue "J ARG 1607": "NH1" <-> "NH2" Residue "J ARG 1623": "NH1" <-> "NH2" Residue "J ASP 1632": "OD1" <-> "OD2" Residue "J ARG 1656": "NH1" <-> "NH2" Residue "J ASP 1658": "OD1" <-> "OD2" Residue "J ASP 1700": "OD1" <-> "OD2" Residue "J GLU 1721": "OE1" <-> "OE2" Residue "J ARG 1725": "NH1" <-> "NH2" Residue "J GLU 1733": "OE1" <-> "OE2" Residue "J TYR 1734": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J ARG 1743": "NH1" <-> "NH2" Residue "J PHE 1748": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J ARG 1797": "NH1" <-> "NH2" Residue "J GLU 1817": "OE1" <-> "OE2" Residue "J ARG 1827": "NH1" <-> "NH2" Residue "J PHE 1836": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J GLU 1857": "OE1" <-> "OE2" Residue "J TYR 1945": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J GLU 1963": "OE1" <-> "OE2" Residue "J ARG 1996": "NH1" <-> "NH2" Residue "J GLU 1997": "OE1" <-> "OE2" Residue "J PHE 2012": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J ARG 2140": "NH1" <-> "NH2" Residue "J GLU 2205": "OE1" <-> "OE2" Residue "J GLU 2209": "OE1" <-> "OE2" Residue "J TYR 2238": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J ARG 2244": "NH1" <-> "NH2" Residue "J ASP 2274": "OD1" <-> "OD2" Residue "J GLU 2285": "OE1" <-> "OE2" Residue "J GLU 2296": "OE1" <-> "OE2" Residue "J TYR 2301": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J ASP 2333": "OD1" <-> "OD2" Residue "J PHE 2337": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J ASP 2431": "OD1" <-> "OD2" Residue "J GLU 2439": "OE1" <-> "OE2" Residue "J ARG 2452": "NH1" <-> "NH2" Residue "J ASP 2464": "OD1" <-> "OD2" Residue "J ASP 2523": "OD1" <-> "OD2" Residue "J PHE 2526": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J ASP 2529": "OD1" <-> "OD2" Residue "J ARG 2625": "NH1" <-> "NH2" Residue "J PHE 2628": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J ARG 3648": "NH1" <-> "NH2" Residue "J PHE 3653": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J ASP 3671": "OD1" <-> "OD2" Residue "J ARG 3672": "NH1" <-> "NH2" Residue "J ASP 3676": "OD1" <-> "OD2" Residue "J ASP 3717": "OD1" <-> "OD2" Residue "J ASP 3719": "OD1" <-> "OD2" Residue "J TYR 3725": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J ASP 3727": "OD1" <-> "OD2" Residue "J GLU 3757": "OE1" <-> "OE2" Residue "J GLU 3759": "OE1" <-> "OE2" Residue "J TYR 3819": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J ASP 3843": "OD1" <-> "OD2" Residue "J GLU 3848": "OE1" <-> "OE2" Residue "J ASP 3877": "OD1" <-> "OD2" Residue "J ASP 3878": "OD1" <-> "OD2" Residue "J GLU 3879": "OE1" <-> "OE2" Residue "J ARG 3886": "NH1" <-> "NH2" Residue "J GLU 3893": "OE1" <-> "OE2" Residue "J ARG 3904": "NH1" <-> "NH2" Residue "J ASP 3921": "OD1" <-> "OD2" Residue "J GLU 3928": "OE1" <-> "OE2" Residue "J ASP 3932": "OD1" <-> "OD2" Residue "J GLU 3944": "OE1" <-> "OE2" Residue "J ARG 3949": "NH1" <-> "NH2" Residue "J ARG 3984": "NH1" <-> "NH2" Residue "J ASP 4006": "OD1" <-> "OD2" Residue "J GLU 4015": "OE1" <-> "OE2" Residue "J GLU 4032": "OE1" <-> "OE2" Residue "J ARG 4042": "NH1" <-> "NH2" Residue "J ASP 4046": "OD1" <-> "OD2" Residue "J GLU 4056": "OE1" <-> "OE2" Residue "J TYR 4080": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J GLU 4116": "OE1" <-> "OE2" Residue "J PHE 4125": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J GLU 4127": "OE1" <-> "OE2" Residue "J PHE 4132": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J ARG 4137": "NH1" <-> "NH2" Residue "J ASP 4138": "OD1" <-> "OD2" Residue "J ARG 4159": "NH1" <-> "NH2" Residue "J GLU 4165": "OE1" <-> "OE2" Residue "J GLU 4172": "OE1" <-> "OE2" Residue "J ARG 4175": "NH1" <-> "NH2" Residue "J GLU 4182": "OE1" <-> "OE2" Residue "J GLU 4191": "OE1" <-> "OE2" Residue "J ARG 4192": "NH1" <-> "NH2" Residue "J GLU 4196": "OE1" <-> "OE2" Residue "J GLU 4206": "OE1" <-> "OE2" Residue "J GLU 4212": "OE1" <-> "OE2" Residue "J ARG 4215": "NH1" <-> "NH2" Residue "J ASP 4240": "OD1" <-> "OD2" Residue "J GLU 4244": "OE1" <-> "OE2" Residue "J ARG 4548": "NH1" <-> "NH2" Residue "J ARG 4557": "NH1" <-> "NH2" Residue "J ARG 4563": "NH1" <-> "NH2" Residue "J PHE 4564": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J TYR 4580": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J TYR 4638": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J PHE 4671": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J ARG 4673": "NH1" <-> "NH2" Residue "J GLU 4674": "OE1" <-> "OE2" Residue "J ARG 4703": "NH1" <-> "NH2" Residue "J PHE 4711": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J ASP 4717": "OD1" <-> "OD2" Residue "J ARG 4722": "NH1" <-> "NH2" Residue "J ARG 4734": "NH1" <-> "NH2" Residue "J ARG 4736": "NH1" <-> "NH2" Residue "J ASP 4772": "OD1" <-> "OD2" Residue "J PHE 4780": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J ASP 4786": "OD1" <-> "OD2" Residue "J TYR 4795": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J TYR 4804": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J PHE 4807": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J ASP 4815": "OD1" <-> "OD2" Residue "J ARG 4824": "NH1" <-> "NH2" Residue "J PHE 4856": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J PHE 4858": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J PHE 4859": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J ARG 4860": "NH1" <-> "NH2" Residue "J ASP 4870": "OD1" <-> "OD2" Residue "J ASP 4873": "OD1" <-> "OD2" Residue "J ASP 4877": "OD1" <-> "OD2" Residue "J ARG 4892": "NH1" <-> "NH2" Residue "J GLU 4900": "OE1" <-> "OE2" Residue "J ASP 4903": "OD1" <-> "OD2" Residue "J ARG 4913": "NH1" <-> "NH2" Residue "J ASP 4917": "OD1" <-> "OD2" Residue "J ASP 4938": "OD1" <-> "OD2" Residue "J GLU 4942": "OE1" <-> "OE2" Residue "J ASP 4945": "OD1" <-> "OD2" Residue "J GLU 4952": "OE1" <-> "OE2" Residue "J ASP 4953": "OD1" <-> "OD2" Residue "J TYR 4967": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J GLU 4981": "OE1" <-> "OE2" Residue "J GLU 4982": "OE1" <-> "OE2" Residue "J PHE 4991": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J ASP 4999": "OD1" <-> "OD2" Residue "J GLU 5007": "OE1" <-> "OE2" Residue "J GLU 5016": "OE1" <-> "OE2" Residue "J ARG 5017": "NH1" <-> "NH2" Residue "J ASP 5020": "OD1" <-> "OD2" Residue "J PHE 5028": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J ARG 5029": "NH1" <-> "NH2" Residue "K GLU 3": "OE1" <-> "OE2" Residue "K PHE 15": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K ASP 37": "OD1" <-> "OD2" Residue "K PHE 59": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K GLU 60": "OE1" <-> "OE2" Residue "K GLU 61": "OE1" <-> "OE2" Residue "K TYR 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K ASP 100": "OD1" <-> "OD2" Residue "L ASP 3": "OD1" <-> "OD2" Residue "L GLU 7": "OE1" <-> "OE2" Residue "L GLU 8": "OE1" <-> "OE2" Residue "L GLU 15": "OE1" <-> "OE2" Residue "L PHE 20": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L ASP 23": "OD1" <-> "OD2" Residue "L GLU 46": "OE1" <-> "OE2" Residue "L GLU 48": "OE1" <-> "OE2" Residue "L ASP 81": "OD1" <-> "OD2" Residue "L GLU 85": "OE1" <-> "OE2" Residue "L PHE 93": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L ASP 123": "OD1" <-> "OD2" Residue "L ARG 127": "NH1" <-> "NH2" Time to flip residues: 0.30s Monomer Library directory: "/net/cci-filer2/raid1/xp/phenix/phenix-1.21rc1-4938/modules/chem_data/mon_lib" Total number of atoms: 120452 Number of models: 1 Model: "" Number of chains: 16 Chain: "A" Number of atoms: 28192 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3949, 28192 Classifications: {'peptide': 3949} Incomplete info: {'truncation_to_alanine': 1016} Link IDs: {'PTRANS': 162, 'TRANS': 3786} Chain breaks: 59 Unresolved chain link angles: 13 Unresolved non-hydrogen bonds: 3014 Unresolved non-hydrogen angles: 4002 Unresolved non-hydrogen dihedrals: 2167 Unresolved non-hydrogen chiralities: 90 Planarities with less than four sites: {'GLN:plan1': 32, 'ARG:plan': 36, 'TYR:plan': 10, 'ASN:plan1': 22, 'TRP:plan': 8, 'HIS:plan': 13, 'PHE:plan': 8, 'GLU:plan': 156, 'ASP:plan': 75, 'UNK:plan-1': 452} Unresolved non-hydrogen planarities: 1930 Chain: "B" Number of atoms: 804 Number of conformers: 1 Conformer: "" Number of residues, atoms: 107, 804 Classifications: {'peptide': 107} Incomplete info: {'truncation_to_alanine': 4} Link IDs: {'PTRANS': 7, 'TRANS': 99} Unresolved non-hydrogen bonds: 14 Unresolved non-hydrogen angles: 18 Unresolved non-hydrogen dihedrals: 10 Planarities with less than four sites: {'GLU:plan': 2, 'ASP:plan': 2} Unresolved non-hydrogen planarities: 14 Chain: "C" Number of atoms: 1042 Number of conformers: 1 Conformer: "" Number of residues, atoms: 139, 1042 Classifications: {'peptide': 139} Incomplete info: {'truncation_to_alanine': 12} Link IDs: {'PTRANS': 2, 'TRANS': 136} Chain breaks: 2 Unresolved non-hydrogen bonds: 45 Unresolved non-hydrogen angles: 54 Unresolved non-hydrogen dihedrals: 36 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'GLN:plan1': 1, 'GLU:plan': 5, 'ASP:plan': 2} Unresolved non-hydrogen planarities: 30 Chain: "D" Number of atoms: 28192 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3949, 28192 Classifications: {'peptide': 3949} Incomplete info: {'truncation_to_alanine': 1016} Link IDs: {'PTRANS': 162, 'TRANS': 3786} Chain breaks: 59 Unresolved chain link angles: 13 Unresolved non-hydrogen bonds: 3014 Unresolved non-hydrogen angles: 4002 Unresolved non-hydrogen dihedrals: 2167 Unresolved non-hydrogen chiralities: 90 Planarities with less than four sites: {'GLN:plan1': 32, 'ARG:plan': 36, 'TYR:plan': 10, 'ASN:plan1': 22, 'TRP:plan': 8, 'HIS:plan': 13, 'PHE:plan': 8, 'GLU:plan': 156, 'ASP:plan': 75, 'UNK:plan-1': 452} Unresolved non-hydrogen planarities: 1930 Chain: "E" Number of atoms: 804 Number of conformers: 1 Conformer: "" Number of residues, atoms: 107, 804 Classifications: {'peptide': 107} Incomplete info: {'truncation_to_alanine': 4} Link IDs: {'PTRANS': 7, 'TRANS': 99} Unresolved non-hydrogen bonds: 14 Unresolved non-hydrogen angles: 18 Unresolved non-hydrogen dihedrals: 10 Planarities with less than four sites: {'GLU:plan': 2, 'ASP:plan': 2} Unresolved non-hydrogen planarities: 14 Chain: "F" Number of atoms: 1042 Number of conformers: 1 Conformer: "" Number of residues, atoms: 139, 1042 Classifications: {'peptide': 139} Incomplete info: {'truncation_to_alanine': 12} Link IDs: {'PTRANS': 2, 'TRANS': 136} Chain breaks: 2 Unresolved non-hydrogen bonds: 45 Unresolved non-hydrogen angles: 54 Unresolved non-hydrogen dihedrals: 36 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'GLN:plan1': 1, 'GLU:plan': 5, 'ASP:plan': 2} Unresolved non-hydrogen planarities: 30 Chain: "G" Number of atoms: 28192 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3949, 28192 Classifications: {'peptide': 3949} Incomplete info: {'truncation_to_alanine': 1016} Link IDs: {'PTRANS': 162, 'TRANS': 3786} Chain breaks: 59 Unresolved chain link angles: 13 Unresolved non-hydrogen bonds: 3014 Unresolved non-hydrogen angles: 4002 Unresolved non-hydrogen dihedrals: 2167 Unresolved non-hydrogen chiralities: 90 Planarities with less than four sites: {'GLN:plan1': 32, 'ARG:plan': 36, 'TYR:plan': 10, 'ASN:plan1': 22, 'TRP:plan': 8, 'HIS:plan': 13, 'PHE:plan': 8, 'GLU:plan': 156, 'ASP:plan': 75, 'UNK:plan-1': 452} Unresolved non-hydrogen planarities: 1930 Chain: "H" Number of atoms: 804 Number of conformers: 1 Conformer: "" Number of residues, atoms: 107, 804 Classifications: {'peptide': 107} Incomplete info: {'truncation_to_alanine': 4} Link IDs: {'PTRANS': 7, 'TRANS': 99} Unresolved non-hydrogen bonds: 14 Unresolved non-hydrogen angles: 18 Unresolved non-hydrogen dihedrals: 10 Planarities with less than four sites: {'GLU:plan': 2, 'ASP:plan': 2} Unresolved non-hydrogen planarities: 14 Chain: "I" Number of atoms: 1042 Number of conformers: 1 Conformer: "" Number of residues, atoms: 139, 1042 Classifications: {'peptide': 139} Incomplete info: {'truncation_to_alanine': 12} Link IDs: {'PTRANS': 2, 'TRANS': 136} Chain breaks: 2 Unresolved non-hydrogen bonds: 45 Unresolved non-hydrogen angles: 54 Unresolved non-hydrogen dihedrals: 36 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'GLN:plan1': 1, 'GLU:plan': 5, 'ASP:plan': 2} Unresolved non-hydrogen planarities: 30 Chain: "J" Number of atoms: 28192 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3949, 28192 Classifications: {'peptide': 3949} Incomplete info: {'truncation_to_alanine': 1016} Link IDs: {'PTRANS': 162, 'TRANS': 3786} Chain breaks: 59 Unresolved chain link angles: 13 Unresolved non-hydrogen bonds: 3014 Unresolved non-hydrogen angles: 4002 Unresolved non-hydrogen dihedrals: 2167 Unresolved non-hydrogen chiralities: 90 Planarities with less than four sites: {'GLN:plan1': 32, 'ARG:plan': 36, 'TYR:plan': 10, 'ASN:plan1': 22, 'TRP:plan': 8, 'HIS:plan': 13, 'PHE:plan': 8, 'GLU:plan': 156, 'ASP:plan': 75, 'UNK:plan-1': 452} Unresolved non-hydrogen planarities: 1930 Chain: "K" Number of atoms: 804 Number of conformers: 1 Conformer: "" Number of residues, atoms: 107, 804 Classifications: {'peptide': 107} Incomplete info: {'truncation_to_alanine': 4} Link IDs: {'PTRANS': 7, 'TRANS': 99} Unresolved non-hydrogen bonds: 14 Unresolved non-hydrogen angles: 18 Unresolved non-hydrogen dihedrals: 10 Planarities with less than four sites: {'GLU:plan': 2, 'ASP:plan': 2} Unresolved non-hydrogen planarities: 14 Chain: "L" Number of atoms: 1042 Number of conformers: 1 Conformer: "" Number of residues, atoms: 139, 1042 Classifications: {'peptide': 139} Incomplete info: {'truncation_to_alanine': 12} Link IDs: {'PTRANS': 2, 'TRANS': 136} Chain breaks: 2 Unresolved non-hydrogen bonds: 45 Unresolved non-hydrogen angles: 54 Unresolved non-hydrogen dihedrals: 36 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'GLN:plan1': 1, 'GLU:plan': 5, 'ASP:plan': 2} Unresolved non-hydrogen planarities: 30 Chain: "A" Number of atoms: 75 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 75 Unusual residues: {' CA': 1, ' ZN': 1, 'ATP': 1, 'CFF': 1, 'F0U': 1} Classifications: {'undetermined': 5} Link IDs: {None: 4} Chain: "D" Number of atoms: 75 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 75 Unusual residues: {' CA': 1, ' ZN': 1, 'ATP': 1, 'CFF': 1, 'F0U': 1} Classifications: {'undetermined': 5} Link IDs: {None: 4} Chain: "G" Number of atoms: 75 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 75 Unusual residues: {' CA': 1, ' ZN': 1, 'ATP': 1, 'CFF': 1, 'F0U': 1} Classifications: {'undetermined': 5} Link IDs: {None: 4} Chain: "J" Number of atoms: 75 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 75 Unusual residues: {' CA': 1, ' ZN': 1, 'ATP': 1, 'CFF': 1, 'F0U': 1} Classifications: {'undetermined': 5} Link IDs: {None: 4} List of CYS excluded from plausible disulfide bonds: (reason: may participate in coordination) ATOM 27531 SG CYS A4958 183.746 160.091 114.200 1.00 80.71 S ATOM 27556 SG CYS A4961 185.589 162.018 111.505 1.00 75.95 S ATOM 57569 SG CYS D4958 200.629 183.746 114.200 1.00 80.21 S ATOM 57594 SG CYS D4961 198.702 185.589 111.505 1.00 75.28 S ATOM 87607 SG CYS G4958 176.973 200.630 114.200 1.00 80.48 S ATOM 87632 SG CYS G4961 175.130 198.703 111.505 1.00 75.31 S ATOM A0DM5 SG CYS J4958 160.090 176.975 114.200 1.00 80.68 S ATOM A0DMU SG CYS J4961 162.017 175.132 111.505 1.00 75.79 S Time building chain proxies: 45.06, per 1000 atoms: 0.37 Number of scatterers: 120452 At special positions: 0 Unit cell: (361.8, 361.8, 201.96, 90, 90, 90) Space group: P 1 (No. 1) Number of sites at special positions: 0 Number of scattering types: 9 Type Number sf(0) Br 4 34.99 Zn 4 29.99 Ca 4 19.99 Cl 8 17.00 S 764 16.00 P 12 15.00 O 21552 8.00 N 21436 7.00 C 76668 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=4, symmetry=0 Number of additional bonds: simple=4, symmetry=0 Coordination: Other bonds: Time building additional restraints: 34.50 Conformation dependent library (CDL) restraints added in 13.2 seconds Dynamic metal coordination Zn2+ tetrahedral coordination pdb=" ZN A5104 " pdb="ZN ZN A5104 " - pdb=" ND1 HIS A4983 " pdb="ZN ZN A5104 " - pdb=" NE2 HIS A4978 " pdb="ZN ZN A5104 " - pdb=" SG CYS A4961 " pdb="ZN ZN A5104 " - pdb=" SG CYS A4958 " pdb=" ZN D5104 " pdb="ZN ZN D5104 " - pdb=" ND1 HIS D4983 " pdb="ZN ZN D5104 " - pdb=" NE2 HIS D4978 " pdb="ZN ZN D5104 " - pdb=" SG CYS D4961 " pdb="ZN ZN D5104 " - pdb=" SG CYS D4958 " pdb=" ZN G5104 " pdb="ZN ZN G5104 " - pdb=" ND1 HIS G4983 " pdb="ZN ZN G5104 " - pdb=" NE2 HIS G4978 " pdb="ZN ZN G5104 " - pdb=" SG CYS G4961 " pdb="ZN ZN G5104 " - pdb=" SG CYS G4958 " pdb=" ZN J5104 " pdb="ZN ZN J5104 " - pdb=" ND1 HIS J4983 " pdb="ZN ZN J5104 " - pdb=" NE2 HIS J4978 " pdb="ZN ZN J5104 " - pdb=" SG CYS J4961 " pdb="ZN ZN J5104 " - pdb=" SG CYS J4958 " Number of angles added : 8 29320 Ramachandran restraints generated. 14660 Oldfield, 0 Emsley, 14660 emsley8k and 0 Phi/Psi/2. Adding C-beta torsion restraints... Number of C-beta restraints generated: 31696 Finding SS restraints... Warning!!! ksdssp method is not applicable forstructures with more than 99999 atoms! Switching to from_ca. running find_ss_from_ca liberal... Secondary structure from input PDB file: 568 helices and 76 sheets defined 56.7% alpha, 8.1% beta 0 base pairs and 0 stacking pairs defined. Time for finding SS restraints: 14.47 Creating SS restraints... Processing helix chain 'A' and resid 61 through 66 removed outlier: 4.788A pdb=" N CYS A 65 " --> pdb=" O ASP A 61 " (cutoff:3.500A) removed outlier: 3.759A pdb=" N CYS A 66 " --> pdb=" O LEU A 62 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 61 through 66' Processing helix chain 'A' and resid 74 through 84 removed outlier: 3.577A pdb=" N GLU A 80 " --> pdb=" O ARG A 76 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N MET A 81 " --> pdb=" O ALA A 77 " (cutoff:3.500A) Processing helix chain 'A' and resid 142 through 147 removed outlier: 4.129A pdb=" N CYS A 146 " --> pdb=" O THR A 142 " (cutoff:3.500A) removed outlier: 4.604A pdb=" N TRP A 147 " --> pdb=" O GLY A 143 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 142 through 147' Processing helix chain 'A' and resid 249 through 256 removed outlier: 3.818A pdb=" N HIS A 255 " --> pdb=" O ALA A 251 " (cutoff:3.500A) removed outlier: 4.864A pdb=" N ALA A 256 " --> pdb=" O VAL A 252 " (cutoff:3.500A) Processing helix chain 'A' and resid 394 through 423 removed outlier: 3.633A pdb=" N SER A 398 " --> pdb=" O GLN A 394 " (cutoff:3.500A) removed outlier: 3.768A pdb=" N ALA A 400 " --> pdb=" O GLU A 396 " (cutoff:3.500A) removed outlier: 3.668A pdb=" N LEU A 410 " --> pdb=" O SER A 406 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N GLN A 413 " --> pdb=" O GLY A 409 " (cutoff:3.500A) removed outlier: 4.237A pdb=" N PHE A 421 " --> pdb=" O GLY A 417 " (cutoff:3.500A) removed outlier: 4.933A pdb=" N GLY A 423 " --> pdb=" O ASP A 419 " (cutoff:3.500A) Processing helix chain 'A' and resid 437 through 453 removed outlier: 3.760A pdb=" N LEU A 443 " --> pdb=" O GLU A 439 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N SER A 444 " --> pdb=" O ALA A 440 " (cutoff:3.500A) removed outlier: 3.620A pdb=" N LEU A 445 " --> pdb=" O VAL A 441 " (cutoff:3.500A) Processing helix chain 'A' and resid 460 through 482 removed outlier: 4.170A pdb=" N SER A 466 " --> pdb=" O GLU A 462 " (cutoff:3.500A) removed outlier: 3.541A pdb=" N PHE A 478 " --> pdb=" O ARG A 474 " (cutoff:3.500A) removed outlier: 3.860A pdb=" N GLU A 481 " --> pdb=" O LEU A 477 " (cutoff:3.500A) removed outlier: 4.037A pdb=" N GLY A 482 " --> pdb=" O PHE A 478 " (cutoff:3.500A) Processing helix chain 'A' and resid 483 through 498 removed outlier: 4.881A pdb=" N VAL A 487 " --> pdb=" O MET A 483 " (cutoff:3.500A) removed outlier: 4.673A pdb=" N VAL A 496 " --> pdb=" O ASP A 492 " (cutoff:3.500A) removed outlier: 5.191A pdb=" N TYR A 497 " --> pdb=" O ARG A 493 " (cutoff:3.500A) removed outlier: 5.446A pdb=" N THR A 498 " --> pdb=" O LEU A 494 " (cutoff:3.500A) Processing helix chain 'A' and resid 508 through 531 removed outlier: 4.534A pdb=" N LYS A 516 " --> pdb=" O ALA A 512 " (cutoff:3.500A) removed outlier: 5.021A pdb=" N GLU A 517 " --> pdb=" O GLU A 513 " (cutoff:3.500A) removed outlier: 3.708A pdb=" N ILE A 518 " --> pdb=" O SER A 514 " (cutoff:3.500A) removed outlier: 4.032A pdb=" N VAL A 519 " --> pdb=" O TRP A 515 " (cutoff:3.500A) removed outlier: 3.953A pdb=" N ARG A 531 " --> pdb=" O ALA A 527 " (cutoff:3.500A) Processing helix chain 'A' and resid 533 through 541 removed outlier: 3.974A pdb=" N LEU A 539 " --> pdb=" O ALA A 535 " (cutoff:3.500A) removed outlier: 4.159A pdb=" N PHE A 540 " --> pdb=" O ASN A 536 " (cutoff:3.500A) removed outlier: 4.505A pdb=" N SER A 541 " --> pdb=" O CYS A 537 " (cutoff:3.500A) Processing helix chain 'A' and resid 543 through 551 removed outlier: 3.897A pdb=" N VAL A 547 " --> pdb=" O ASN A 543 " (cutoff:3.500A) removed outlier: 4.533A pdb=" N LYS A 550 " --> pdb=" O TRP A 546 " (cutoff:3.500A) removed outlier: 4.087A pdb=" N LEU A 551 " --> pdb=" O VAL A 547 " (cutoff:3.500A) Processing helix chain 'A' and resid 556 through 571 removed outlier: 3.633A pdb=" N LEU A 561 " --> pdb=" O SER A 557 " (cutoff:3.500A) removed outlier: 3.576A pdb=" N ILE A 569 " --> pdb=" O TYR A 565 " (cutoff:3.500A) removed outlier: 4.223A pdb=" N GLU A 570 " --> pdb=" O CYS A 566 " (cutoff:3.500A) removed outlier: 4.090A pdb=" N SER A 571 " --> pdb=" O VAL A 567 " (cutoff:3.500A) Processing helix chain 'A' and resid 572 through 578 removed outlier: 4.053A pdb=" N ASN A 576 " --> pdb=" O PRO A 572 " (cutoff:3.500A) removed outlier: 4.248A pdb=" N ILE A 577 " --> pdb=" O GLU A 573 " (cutoff:3.500A) removed outlier: 3.936A pdb=" N ILE A 578 " --> pdb=" O VAL A 574 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 572 through 578' Processing helix chain 'A' and resid 579 through 594 removed outlier: 3.761A pdb=" N ILE A 583 " --> pdb=" O GLN A 579 " (cutoff:3.500A) removed outlier: 3.542A pdb=" N ILE A 586 " --> pdb=" O HIS A 582 " (cutoff:3.500A) removed outlier: 3.760A pdb=" N GLY A 594 " --> pdb=" O LEU A 590 " (cutoff:3.500A) Processing helix chain 'A' and resid 596 through 609 removed outlier: 4.103A pdb=" N LEU A 600 " --> pdb=" O ASN A 596 " (cutoff:3.500A) removed outlier: 3.526A pdb=" N LEU A 603 " --> pdb=" O VAL A 599 " (cutoff:3.500A) removed outlier: 3.819A pdb=" N CYS A 607 " --> pdb=" O LEU A 603 " (cutoff:3.500A) removed outlier: 4.388A pdb=" N VAL A 608 " --> pdb=" O CYS A 604 " (cutoff:3.500A) removed outlier: 5.559A pdb=" N CYS A 609 " --> pdb=" O SER A 605 " (cutoff:3.500A) Processing helix chain 'A' and resid 614 through 629 removed outlier: 4.099A pdb=" N ASP A 619 " --> pdb=" O ARG A 615 " (cutoff:3.500A) removed outlier: 4.793A pdb=" N LEU A 620 " --> pdb=" O SER A 616 " (cutoff:3.500A) removed outlier: 3.842A pdb=" N ILE A 621 " --> pdb=" O ASN A 617 " (cutoff:3.500A) removed outlier: 3.840A pdb=" N THR A 622 " --> pdb=" O GLN A 618 " (cutoff:3.500A) removed outlier: 3.986A pdb=" N LEU A 626 " --> pdb=" O THR A 622 " (cutoff:3.500A) Proline residue: A 627 - end of helix Processing helix chain 'A' and resid 864 through 890 removed outlier: 3.864A pdb=" N ARG A 869 " --> pdb=" O PRO A 865 " (cutoff:3.500A) removed outlier: 4.716A pdb=" N ILE A 870 " --> pdb=" O HIS A 866 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N ARG A 871 " --> pdb=" O LEU A 867 " (cutoff:3.500A) removed outlier: 4.477A pdb=" N GLU A 872 " --> pdb=" O GLU A 868 " (cutoff:3.500A) removed outlier: 3.925A pdb=" N LYS A 873 " --> pdb=" O ARG A 869 " (cutoff:3.500A) Processing helix chain 'A' and resid 909 through 914 Proline residue: A 914 - end of helix Processing helix chain 'A' and resid 915 through 936 removed outlier: 3.503A pdb=" N TYR A 920 " --> pdb=" O PRO A 916 " (cutoff:3.500A) removed outlier: 3.538A pdb=" N LYS A 930 " --> pdb=" O GLY A 926 " (cutoff:3.500A) removed outlier: 3.667A pdb=" N LEU A 933 " --> pdb=" O LEU A 929 " (cutoff:3.500A) removed outlier: 3.639A pdb=" N ALA A 934 " --> pdb=" O LYS A 930 " (cutoff:3.500A) removed outlier: 3.546A pdb=" N LEU A 935 " --> pdb=" O THR A 931 " (cutoff:3.500A) removed outlier: 4.296A pdb=" N GLY A 936 " --> pdb=" O LEU A 932 " (cutoff:3.500A) Processing helix chain 'A' and resid 943 through 951 removed outlier: 5.417A pdb=" N LYS A 951 " --> pdb=" O GLU A 947 " (cutoff:3.500A) Processing helix chain 'A' and resid 978 through 1004 Processing helix chain 'A' and resid 1028 through 1050 removed outlier: 3.807A pdb=" N GLN A1041 " --> pdb=" O ASP A1037 " (cutoff:3.500A) removed outlier: 4.228A pdb=" N ALA A1042 " --> pdb=" O SER A1038 " (cutoff:3.500A) removed outlier: 3.646A pdb=" N ARG A1044 " --> pdb=" O CYS A1040 " (cutoff:3.500A) removed outlier: 3.651A pdb=" N THR A1045 " --> pdb=" O GLN A1041 " (cutoff:3.500A) removed outlier: 3.983A pdb=" N GLY A1050 " --> pdb=" O LEU A1046 " (cutoff:3.500A) Processing helix chain 'A' and resid 1207 through 1212 removed outlier: 3.660A pdb=" N LEU A1211 " --> pdb=" O ASP A1207 " (cutoff:3.500A) removed outlier: 5.572A pdb=" N ARG A1212 " --> pdb=" O VAL A1208 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 1207 through 1212' Processing helix chain 'A' and resid 1423 through 1430 removed outlier: 3.518A pdb=" N LEU A1428 " --> pdb=" O PRO A1424 " (cutoff:3.500A) removed outlier: 3.597A pdb=" N ASN A1429 " --> pdb=" O GLU A1425 " (cutoff:3.500A) removed outlier: 3.526A pdb=" N THR A1430 " --> pdb=" O ILE A1426 " (cutoff:3.500A) Processing helix chain 'A' and resid 1444 through 1449 removed outlier: 4.488A pdb=" N VAL A1448 " --> pdb=" O GLU A1444 " (cutoff:3.500A) removed outlier: 5.835A pdb=" N TRP A1449 " --> pdb=" O PRO A1445 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 1444 through 1449' Processing helix chain 'A' and resid 1496 through 1501 removed outlier: 4.251A pdb=" N PHE A1500 " --> pdb=" O TRP A1496 " (cutoff:3.500A) removed outlier: 3.730A pdb=" N VAL A1501 " --> pdb=" O GLY A1497 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 1496 through 1501' Processing helix chain 'A' and resid 1574 through 1580 removed outlier: 4.519A pdb=" N ALA A1578 " --> pdb=" O PRO A1574 " (cutoff:3.500A) removed outlier: 3.540A pdb=" N MET A1579 " --> pdb=" O LEU A1575 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N PHE A1580 " --> pdb=" O SER A1576 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 1574 through 1580' Processing helix chain 'A' and resid 1649 through 1657 removed outlier: 4.269A pdb=" N LEU A1653 " --> pdb=" O ASP A1649 " (cutoff:3.500A) removed outlier: 5.014A pdb=" N SER A1654 " --> pdb=" O ILE A1650 " (cutoff:3.500A) removed outlier: 5.058A pdb=" N GLU A1655 " --> pdb=" O LEU A1651 " (cutoff:3.500A) Processing helix chain 'A' and resid 1658 through 1675 removed outlier: 4.218A pdb=" N CYS A1674 " --> pdb=" O TYR A1670 " (cutoff:3.500A) removed outlier: 3.526A pdb=" N ALA A1675 " --> pdb=" O ARG A1671 " (cutoff:3.500A) Processing helix chain 'A' and resid 1678 through 1689 removed outlier: 3.531A pdb=" N ALA A1682 " --> pdb=" O ASN A1678 " (cutoff:3.500A) removed outlier: 3.520A pdb=" N ALA A1684 " --> pdb=" O ARG A1680 " (cutoff:3.500A) removed outlier: 3.765A pdb=" N SER A1687 " --> pdb=" O HIS A1683 " (cutoff:3.500A) removed outlier: 4.437A pdb=" N HIS A1688 " --> pdb=" O ALA A1684 " (cutoff:3.500A) Processing helix chain 'A' and resid 1690 through 1701 removed outlier: 3.538A pdb=" N ALA A1697 " --> pdb=" O GLN A1693 " (cutoff:3.500A) removed outlier: 3.638A pdb=" N LEU A1698 " --> pdb=" O LEU A1694 " (cutoff:3.500A) removed outlier: 4.221A pdb=" N GLU A1699 " --> pdb=" O LEU A1695 " (cutoff:3.500A) removed outlier: 3.508A pdb=" N ASP A1700 " --> pdb=" O HIS A1696 " (cutoff:3.500A) removed outlier: 6.282A pdb=" N ALA A1701 " --> pdb=" O ALA A1697 " (cutoff:3.500A) Processing helix chain 'A' and resid 1704 through 1719 removed outlier: 3.515A pdb=" N TYR A1712 " --> pdb=" O ARG A1708 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N ILE A1716 " --> pdb=" O TYR A1712 " (cutoff:3.500A) Processing helix chain 'A' and resid 1720 through 1732 removed outlier: 4.316A pdb=" N CYS A1724 " --> pdb=" O LEU A1720 " (cutoff:3.500A) removed outlier: 3.836A pdb=" N SER A1726 " --> pdb=" O SER A1722 " (cutoff:3.500A) removed outlier: 3.507A pdb=" N ARG A1727 " --> pdb=" O ALA A1723 " (cutoff:3.500A) removed outlier: 4.302A pdb=" N SER A1732 " --> pdb=" O ARG A1728 " (cutoff:3.500A) Processing helix chain 'A' and resid 1739 through 1745 removed outlier: 3.829A pdb=" N ARG A1743 " --> pdb=" O THR A1739 " (cutoff:3.500A) removed outlier: 4.199A pdb=" N ALA A1744 " --> pdb=" O PRO A1740 " (cutoff:3.500A) removed outlier: 5.145A pdb=" N ILE A1745 " --> pdb=" O GLU A1741 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 1739 through 1745' Processing helix chain 'A' and resid 1803 through 1825 removed outlier: 3.544A pdb=" N LEU A1807 " --> pdb=" O PRO A1803 " (cutoff:3.500A) removed outlier: 3.990A pdb=" N ASP A1809 " --> pdb=" O GLU A1805 " (cutoff:3.500A) removed outlier: 3.718A pdb=" N ARG A1820 " --> pdb=" O GLY A1816 " (cutoff:3.500A) removed outlier: 4.000A pdb=" N GLY A1823 " --> pdb=" O VAL A1819 " (cutoff:3.500A) removed outlier: 4.360A pdb=" N GLN A1824 " --> pdb=" O ARG A1820 " (cutoff:3.500A) removed outlier: 4.085A pdb=" N HIS A1825 " --> pdb=" O ASP A1821 " (cutoff:3.500A) Processing helix chain 'A' and resid 1833 through 1852 Proline residue: A1840 - end of helix removed outlier: 3.517A pdb=" N LEU A1844 " --> pdb=" O PRO A1840 " (cutoff:3.500A) Processing helix chain 'A' and resid 1855 through 1867 Processing helix chain 'A' and resid 1925 through 1930 removed outlier: 3.613A pdb=" N MET A1929 " --> pdb=" O GLY A1925 " (cutoff:3.500A) removed outlier: 5.646A pdb=" N LYS A1930 " --> pdb=" O LEU A1926 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 1925 through 1930' Processing helix chain 'A' and resid 1933 through 1981 removed outlier: 3.528A pdb=" N GLN A1938 " --> pdb=" O SER A1934 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N ASN A1941 " --> pdb=" O LEU A1937 " (cutoff:3.500A) removed outlier: 3.646A pdb=" N TYR A1945 " --> pdb=" O ASN A1941 " (cutoff:3.500A) removed outlier: 3.694A pdb=" N PHE A1946 " --> pdb=" O LEU A1942 " (cutoff:3.500A) removed outlier: 3.759A pdb=" N ASP A1967 " --> pdb=" O GLU A1963 " (cutoff:3.500A) removed outlier: 4.495A pdb=" N LYS A1968 " --> pdb=" O ARG A1964 " (cutoff:3.500A) removed outlier: 3.871A pdb=" N ALA A1971 " --> pdb=" O ASP A1967 " (cutoff:3.500A) Processing helix chain 'A' and resid 1987 through 1998 removed outlier: 3.838A pdb=" N THR A1991 " --> pdb=" O SER A1987 " (cutoff:3.500A) removed outlier: 3.972A pdb=" N ALA A1992 " --> pdb=" O ALA A1988 " (cutoff:3.500A) removed outlier: 5.558A pdb=" N ARG A1996 " --> pdb=" O ALA A1992 " (cutoff:3.500A) removed outlier: 4.555A pdb=" N GLU A1997 " --> pdb=" O ARG A1993 " (cutoff:3.500A) removed outlier: 3.610A pdb=" N PHE A1998 " --> pdb=" O ARG A1994 " (cutoff:3.500A) Processing helix chain 'A' and resid 2001 through 2011 removed outlier: 3.733A pdb=" N ILE A2006 " --> pdb=" O PRO A2002 " (cutoff:3.500A) removed outlier: 4.380A pdb=" N HIS A2011 " --> pdb=" O ASN A2007 " (cutoff:3.500A) Processing helix chain 'A' and resid 2024 through 2043 removed outlier: 3.874A pdb=" N ARG A2028 " --> pdb=" O PRO A2024 " (cutoff:3.500A) removed outlier: 4.692A pdb=" N GLN A2029 " --> pdb=" O GLU A2025 " (cutoff:3.500A) removed outlier: 4.910A pdb=" N ASP A2030 " --> pdb=" O ASP A2026 " (cutoff:3.500A) removed outlier: 5.163A pdb=" N LEU A2031 " --> pdb=" O ILE A2027 " (cutoff:3.500A) removed outlier: 3.921A pdb=" N GLN A2032 " --> pdb=" O ARG A2028 " (cutoff:3.500A) removed outlier: 4.315A pdb=" N GLY A2043 " --> pdb=" O LEU A2039 " (cutoff:3.500A) Processing helix chain 'A' and resid 2093 through 2109 removed outlier: 3.536A pdb=" N HIS A2100 " --> pdb=" O GLU A2096 " (cutoff:3.500A) removed outlier: 4.307A pdb=" N ASP A2109 " --> pdb=" O TRP A2105 " (cutoff:3.500A) Processing helix chain 'A' and resid 2113 through 2130 removed outlier: 3.551A pdb=" N VAL A2117 " --> pdb=" O SER A2113 " (cutoff:3.500A) removed outlier: 4.077A pdb=" N GLY A2130 " --> pdb=" O ARG A2126 " (cutoff:3.500A) Processing helix chain 'A' and resid 2131 through 2142 Proline residue: A2139 - end of helix removed outlier: 5.251A pdb=" N TYR A2142 " --> pdb=" O LEU A2138 " (cutoff:3.500A) Processing helix chain 'A' and resid 2145 through 2169 removed outlier: 4.291A pdb=" N VAL A2149 " --> pdb=" O SER A2145 " (cutoff:3.500A) removed outlier: 5.626A pdb=" N GLU A2150 " --> pdb=" O PRO A2146 " (cutoff:3.500A) removed outlier: 6.027A pdb=" N ASP A2151 " --> pdb=" O SER A2147 " (cutoff:3.500A) removed outlier: 4.278A pdb=" N SER A2154 " --> pdb=" O GLU A2150 " (cutoff:3.500A) removed outlier: 3.560A pdb=" N ILE A2162 " --> pdb=" O CYS A2158 " (cutoff:3.500A) removed outlier: 4.080A pdb=" N ILE A2167 " --> pdb=" O ARG A2163 " (cutoff:3.500A) removed outlier: 4.632A pdb=" N VAL A2168 " --> pdb=" O SER A2164 " (cutoff:3.500A) removed outlier: 5.311A pdb=" N GLN A2169 " --> pdb=" O LEU A2165 " (cutoff:3.500A) Processing helix chain 'A' and resid 2171 through 2189 removed outlier: 3.647A pdb=" N GLU A2175 " --> pdb=" O GLY A2171 " (cutoff:3.500A) removed outlier: 4.766A pdb=" N ASN A2176 " --> pdb=" O PRO A2172 " (cutoff:3.500A) removed outlier: 3.565A pdb=" N LEU A2177 " --> pdb=" O GLN A2173 " (cutoff:3.500A) removed outlier: 4.586A pdb=" N ASN A2187 " --> pdb=" O GLY A2183 " (cutoff:3.500A) removed outlier: 3.580A pdb=" N ASN A2188 " --> pdb=" O ASN A2184 " (cutoff:3.500A) removed outlier: 5.246A pdb=" N LYS A2189 " --> pdb=" O ILE A2185 " (cutoff:3.500A) Processing helix chain 'A' and resid 2190 through 2195 Proline residue: A2195 - end of helix Processing helix chain 'A' and resid 2196 through 2202 removed outlier: 3.815A pdb=" N GLY A2202 " --> pdb=" O MET A2198 " (cutoff:3.500A) Processing helix chain 'A' and resid 2203 through 2216 removed outlier: 3.859A pdb=" N VAL A2210 " --> pdb=" O THR A2206 " (cutoff:3.500A) Processing helix chain 'A' and resid 2225 through 2244 removed outlier: 3.715A pdb=" N SER A2231 " --> pdb=" O LYS A2227 " (cutoff:3.500A) removed outlier: 3.935A pdb=" N ARG A2241 " --> pdb=" O CYS A2237 " (cutoff:3.500A) removed outlier: 3.954A pdb=" N ILE A2242 " --> pdb=" O TYR A2238 " (cutoff:3.500A) removed outlier: 4.635A pdb=" N SER A2243 " --> pdb=" O PHE A2239 " (cutoff:3.500A) removed outlier: 5.565A pdb=" N ARG A2244 " --> pdb=" O CYS A2240 " (cutoff:3.500A) Processing helix chain 'A' and resid 2245 through 2255 removed outlier: 3.618A pdb=" N SER A2249 " --> pdb=" O GLN A2245 " (cutoff:3.500A) removed outlier: 3.854A pdb=" N MET A2250 " --> pdb=" O ASN A2246 " (cutoff:3.500A) removed outlier: 3.890A pdb=" N ASP A2252 " --> pdb=" O ARG A2248 " (cutoff:3.500A) removed outlier: 4.679A pdb=" N HIS A2253 " --> pdb=" O SER A2249 " (cutoff:3.500A) removed outlier: 4.040A pdb=" N LEU A2254 " --> pdb=" O MET A2250 " (cutoff:3.500A) removed outlier: 5.517A pdb=" N SER A2255 " --> pdb=" O PHE A2251 " (cutoff:3.500A) Processing helix chain 'A' and resid 2256 through 2262 removed outlier: 3.606A pdb=" N ASN A2260 " --> pdb=" O TYR A2256 " (cutoff:3.500A) removed outlier: 4.363A pdb=" N SER A2261 " --> pdb=" O LEU A2257 " (cutoff:3.500A) removed outlier: 5.152A pdb=" N GLY A2262 " --> pdb=" O LEU A2258 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 2256 through 2262' Processing helix chain 'A' and resid 2271 through 2281 removed outlier: 3.940A pdb=" N VAL A2275 " --> pdb=" O THR A2271 " (cutoff:3.500A) removed outlier: 4.023A pdb=" N VAL A2280 " --> pdb=" O ALA A2276 " (cutoff:3.500A) removed outlier: 3.601A pdb=" N ILE A2281 " --> pdb=" O ALA A2277 " (cutoff:3.500A) Processing helix chain 'A' and resid 2283 through 2290 Processing helix chain 'A' and resid 2291 through 2308 removed outlier: 4.180A pdb=" N LEU A2295 " --> pdb=" O GLN A2291 " (cutoff:3.500A) removed outlier: 4.032A pdb=" N LYS A2297 " --> pdb=" O GLN A2293 " (cutoff:3.500A) removed outlier: 4.092A pdb=" N VAL A2298 " --> pdb=" O ASP A2294 " (cutoff:3.500A) removed outlier: 3.575A pdb=" N VAL A2299 " --> pdb=" O LEU A2295 " (cutoff:3.500A) removed outlier: 3.543A pdb=" N CYS A2305 " --> pdb=" O TYR A2301 " (cutoff:3.500A) removed outlier: 3.859A pdb=" N GLY A2306 " --> pdb=" O LEU A2302 " (cutoff:3.500A) removed outlier: 4.554A pdb=" N LEU A2307 " --> pdb=" O ALA A2303 " (cutoff:3.500A) removed outlier: 3.612A pdb=" N GLN A2308 " --> pdb=" O GLY A2304 " (cutoff:3.500A) Processing helix chain 'A' and resid 2310 through 2317 removed outlier: 3.577A pdb=" N ALA A2315 " --> pdb=" O PRO A2311 " (cutoff:3.500A) Processing helix chain 'A' and resid 2326 through 2340 removed outlier: 4.046A pdb=" N ARG A2330 " --> pdb=" O CYS A2326 " (cutoff:3.500A) removed outlier: 4.075A pdb=" N TYR A2331 " --> pdb=" O GLY A2327 " (cutoff:3.500A) removed outlier: 3.713A pdb=" N PHE A2334 " --> pdb=" O ARG A2330 " (cutoff:3.500A) removed outlier: 3.519A pdb=" N LEU A2335 " --> pdb=" O TYR A2331 " (cutoff:3.500A) removed outlier: 4.160A pdb=" N PHE A2337 " --> pdb=" O ASP A2333 " (cutoff:3.500A) removed outlier: 3.903A pdb=" N ALA A2338 " --> pdb=" O PHE A2334 " (cutoff:3.500A) Processing helix chain 'A' and resid 2346 through 2361 removed outlier: 3.949A pdb=" N ALA A2350 " --> pdb=" O VAL A2346 " (cutoff:3.500A) removed outlier: 4.363A pdb=" N ARG A2359 " --> pdb=" O ARG A2355 " (cutoff:3.500A) removed outlier: 4.282A pdb=" N LYS A2360 " --> pdb=" O LEU A2356 " (cutoff:3.500A) Proline residue: A2361 - end of helix Processing helix chain 'A' and resid 2375 through 2390 removed outlier: 3.614A pdb=" N ASP A2389 " --> pdb=" O ARG A2385 " (cutoff:3.500A) Proline residue: A2390 - end of helix Processing helix chain 'A' and resid 2417 through 2437 removed outlier: 4.379A pdb=" N MET A2423 " --> pdb=" O GLY A2419 " (cutoff:3.500A) removed outlier: 3.565A pdb=" N LEU A2432 " --> pdb=" O ALA A2428 " (cutoff:3.500A) removed outlier: 4.042A pdb=" N ALA A2437 " --> pdb=" O LEU A2433 " (cutoff:3.500A) Processing helix chain 'A' and resid 2439 through 2446 removed outlier: 3.511A pdb=" N ILE A2443 " --> pdb=" O GLU A2439 " (cutoff:3.500A) removed outlier: 3.549A pdb=" N ALA A2445 " --> pdb=" O HIS A2441 " (cutoff:3.500A) removed outlier: 4.999A pdb=" N GLY A2446 " --> pdb=" O LEU A2442 " (cutoff:3.500A) Processing helix chain 'A' and resid 2447 through 2462 removed outlier: 3.933A pdb=" N LEU A2451 " --> pdb=" O LYS A2447 " (cutoff:3.500A) removed outlier: 3.632A pdb=" N ARG A2452 " --> pdb=" O GLY A2448 " (cutoff:3.500A) Proline residue: A2462 - end of helix Processing helix chain 'A' and resid 2463 through 2472 Processing helix chain 'A' and resid 2495 through 2509 removed outlier: 4.633A pdb=" N LYS A2499 " --> pdb=" O VAL A2495 " (cutoff:3.500A) Processing helix chain 'A' and resid 2514 through 2537 removed outlier: 4.277A pdb=" N LEU A2518 " --> pdb=" O ASN A2514 " (cutoff:3.500A) removed outlier: 3.543A pdb=" N VAL A2521 " --> pdb=" O PHE A2517 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N PHE A2526 " --> pdb=" O LEU A2522 " (cutoff:3.500A) removed outlier: 3.683A pdb=" N LEU A2527 " --> pdb=" O ASP A2523 " (cutoff:3.500A) Proline residue: A2528 - end of helix removed outlier: 3.915A pdb=" N ALA A2532 " --> pdb=" O PRO A2528 " (cutoff:3.500A) removed outlier: 3.735A pdb=" N ASP A2537 " --> pdb=" O ALA A2533 " (cutoff:3.500A) Processing helix chain 'A' and resid 2544 through 2566 removed outlier: 3.566A pdb=" N LEU A2548 " --> pdb=" O THR A2544 " (cutoff:3.500A) removed outlier: 4.607A pdb=" N ASN A2551 " --> pdb=" O ALA A2547 " (cutoff:3.500A) removed outlier: 3.942A pdb=" N ARG A2552 " --> pdb=" O LEU A2548 " (cutoff:3.500A) removed outlier: 5.727A pdb=" N LEU A2559 " --> pdb=" O CYS A2555 " (cutoff:3.500A) Proline residue: A2560 - end of helix Processing helix chain 'A' and resid 2575 through 2592 removed outlier: 4.963A pdb=" N VAL A2579 " --> pdb=" O ARG A2575 " (cutoff:3.500A) removed outlier: 3.819A pdb=" N ASP A2580 " --> pdb=" O ALA A2576 " (cutoff:3.500A) removed outlier: 3.639A pdb=" N TYR A2587 " --> pdb=" O LEU A2583 " (cutoff:3.500A) removed outlier: 3.960A pdb=" N ARG A2591 " --> pdb=" O TYR A2587 " (cutoff:3.500A) removed outlier: 5.376A pdb=" N GLY A2592 " --> pdb=" O ARG A2588 " (cutoff:3.500A) Processing helix chain 'A' and resid 2596 through 2614 removed outlier: 3.573A pdb=" N VAL A2602 " --> pdb=" O ALA A2598 " (cutoff:3.500A) removed outlier: 3.712A pdb=" N ARG A2612 " --> pdb=" O MET A2608 " (cutoff:3.500A) removed outlier: 4.667A pdb=" N TYR A2613 " --> pdb=" O ALA A2609 " (cutoff:3.500A) removed outlier: 5.212A pdb=" N ILE A2614 " --> pdb=" O LEU A2610 " (cutoff:3.500A) Processing helix chain 'A' and resid 2617 through 2634 removed outlier: 4.848A pdb=" N HIS A2621 " --> pdb=" O SER A2617 " (cutoff:3.500A) removed outlier: 4.424A pdb=" N LEU A2622 " --> pdb=" O MET A2618 " (cutoff:3.500A) removed outlier: 3.649A pdb=" N VAL A2627 " --> pdb=" O LEU A2623 " (cutoff:3.500A) removed outlier: 4.038A pdb=" N PHE A2628 " --> pdb=" O ARG A2624 " (cutoff:3.500A) removed outlier: 3.928A pdb=" N ASP A2629 " --> pdb=" O ARG A2625 " (cutoff:3.500A) Proline residue: A2631 - end of helix removed outlier: 5.103A pdb=" N ASN A2634 " --> pdb=" O VAL A2630 " (cutoff:3.500A) Processing helix chain 'A' and resid 2748 through 2774 removed outlier: 3.586A pdb=" N ASP A2752 " --> pdb=" O PRO A2748 " (cutoff:3.500A) removed outlier: 4.138A pdb=" N SER A2753 " --> pdb=" O GLU A2749 " (cutoff:3.500A) removed outlier: 4.028A pdb=" N ASN A2756 " --> pdb=" O ASP A2752 " (cutoff:3.500A) removed outlier: 4.131A pdb=" N GLN A2772 " --> pdb=" O PHE A2768 " (cutoff:3.500A) removed outlier: 4.202A pdb=" N ASN A2773 " --> pdb=" O ASP A2769 " (cutoff:3.500A) removed outlier: 3.828A pdb=" N ASN A2774 " --> pdb=" O LYS A2770 " (cutoff:3.500A) Processing helix chain 'A' and resid 2793 through 2798 removed outlier: 3.784A pdb=" N PHE A2797 " --> pdb=" O PRO A2793 " (cutoff:3.500A) removed outlier: 6.001A pdb=" N SER A2798 " --> pdb=" O TYR A2794 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 2793 through 2798' Processing helix chain 'A' and resid 2799 through 2820 removed outlier: 3.894A pdb=" N GLU A2803 " --> pdb=" O GLU A2799 " (cutoff:3.500A) removed outlier: 6.027A pdb=" N ILE A2804 " --> pdb=" O LYS A2800 " (cutoff:3.500A) removed outlier: 5.573A pdb=" N TYR A2805 " --> pdb=" O ASP A2801 " (cutoff:3.500A) removed outlier: 4.550A pdb=" N TRP A2807 " --> pdb=" O GLU A2803 " (cutoff:3.500A) Proline residue: A2808 - end of helix removed outlier: 4.210A pdb=" N SER A2812 " --> pdb=" O PRO A2808 " (cutoff:3.500A) removed outlier: 3.940A pdb=" N LEU A2813 " --> pdb=" O ILE A2809 " (cutoff:3.500A) Processing helix chain 'A' and resid 2868 through 2896 removed outlier: 4.224A pdb=" N ALA A2873 " --> pdb=" O ARG A2869 " (cutoff:3.500A) removed outlier: 3.611A pdb=" N GLU A2876 " --> pdb=" O GLN A2872 " (cutoff:3.500A) Processing helix chain 'A' and resid 2913 through 2933 removed outlier: 3.977A pdb=" N ARG A2918 " --> pdb=" O LYS A2914 " (cutoff:3.500A) removed outlier: 4.102A pdb=" N GLU A2921 " --> pdb=" O ALA A2917 " (cutoff:3.500A) removed outlier: 4.049A pdb=" N LYS A2922 " --> pdb=" O ARG A2918 " (cutoff:3.500A) removed outlier: 3.759A pdb=" N ALA A2923 " --> pdb=" O ASP A2919 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N MET A2932 " --> pdb=" O LYS A2928 " (cutoff:3.500A) removed outlier: 5.417A pdb=" N ASN A2933 " --> pdb=" O PHE A2929 " (cutoff:3.500A) Processing helix chain 'A' and resid 3625 through 3638 removed outlier: 3.658A pdb=" N ARG A3630 " --> pdb=" O LYS A3626 " (cutoff:3.500A) removed outlier: 3.537A pdb=" N VAL A3633 " --> pdb=" O ARG A3629 " (cutoff:3.500A) removed outlier: 4.809A pdb=" N PHE A3636 " --> pdb=" O VAL A3632 " (cutoff:3.500A) removed outlier: 4.405A pdb=" N ARG A3637 " --> pdb=" O VAL A3633 " (cutoff:3.500A) removed outlier: 3.939A pdb=" N MET A3638 " --> pdb=" O ALA A3634 " (cutoff:3.500A) Processing helix chain 'A' and resid 3640 through 3645 removed outlier: 3.619A pdb=" N LEU A3644 " --> pdb=" O PRO A3640 " (cutoff:3.500A) Proline residue: A3645 - end of helix No H-bonds generated for 'chain 'A' and resid 3640 through 3645' Processing helix chain 'A' and resid 3646 through 3665 removed outlier: 4.952A pdb=" N LEU A3663 " --> pdb=" O ALA A3659 " (cutoff:3.500A) removed outlier: 4.882A pdb=" N THR A3664 " --> pdb=" O ALA A3660 " (cutoff:3.500A) Processing helix chain 'A' and resid 3668 through 3682 removed outlier: 4.294A pdb=" N ARG A3672 " --> pdb=" O SER A3668 " (cutoff:3.500A) removed outlier: 3.768A pdb=" N ILE A3674 " --> pdb=" O GLU A3670 " (cutoff:3.500A) removed outlier: 3.523A pdb=" N ASP A3676 " --> pdb=" O ARG A3672 " (cutoff:3.500A) removed outlier: 4.100A pdb=" N GLY A3681 " --> pdb=" O LEU A3677 " (cutoff:3.500A) removed outlier: 5.119A pdb=" N GLU A3682 " --> pdb=" O SER A3678 " (cutoff:3.500A) Processing helix chain 'A' and resid 3696 through 3711 removed outlier: 3.876A pdb=" N ALA A3709 " --> pdb=" O PHE A3705 " (cutoff:3.500A) removed outlier: 3.831A pdb=" N LEU A3710 " --> pdb=" O SER A3706 " (cutoff:3.500A) removed outlier: 3.902A pdb=" N THR A3711 " --> pdb=" O ARG A3707 " (cutoff:3.500A) Processing helix chain 'A' and resid 3719 through 3735 removed outlier: 3.503A pdb=" N ASP A3727 " --> pdb=" O MET A3723 " (cutoff:3.500A) removed outlier: 3.859A pdb=" N ILE A3728 " --> pdb=" O ALA A3724 " (cutoff:3.500A) removed outlier: 3.845A pdb=" N CYS A3733 " --> pdb=" O MET A3729 " (cutoff:3.500A) removed outlier: 3.931A pdb=" N LEU A3735 " --> pdb=" O LYS A3731 " (cutoff:3.500A) Processing helix chain 'A' and resid 3752 through 3772 removed outlier: 3.856A pdb=" N LYS A3756 " --> pdb=" O SER A3752 " (cutoff:3.500A) removed outlier: 3.738A pdb=" N THR A3772 " --> pdb=" O SER A3768 " (cutoff:3.500A) Processing helix chain 'A' and resid 3774 through 3787 removed outlier: 3.602A pdb=" N MET A3778 " --> pdb=" O GLY A3774 " (cutoff:3.500A) removed outlier: 3.895A pdb=" N LEU A3780 " --> pdb=" O ALA A3776 " (cutoff:3.500A) removed outlier: 3.672A pdb=" N MET A3782 " --> pdb=" O MET A3778 " (cutoff:3.500A) removed outlier: 4.127A pdb=" N LYS A3787 " --> pdb=" O ILE A3783 " (cutoff:3.500A) Processing helix chain 'A' and resid 3791 through 3806 removed outlier: 4.252A pdb=" N SER A3795 " --> pdb=" O GLY A3791 " (cutoff:3.500A) removed outlier: 3.759A pdb=" N SER A3796 " --> pdb=" O ALA A3792 " (cutoff:3.500A) removed outlier: 3.616A pdb=" N LYS A3799 " --> pdb=" O SER A3795 " (cutoff:3.500A) Processing helix chain 'A' and resid 3809 through 3824 removed outlier: 4.193A pdb=" N GLN A3813 " --> pdb=" O ASN A3809 " (cutoff:3.500A) removed outlier: 3.890A pdb=" N TYR A3819 " --> pdb=" O LYS A3815 " (cutoff:3.500A) removed outlier: 3.610A pdb=" N LYS A3824 " --> pdb=" O LEU A3820 " (cutoff:3.500A) Processing helix chain 'A' and resid 3826 through 3839 removed outlier: 6.682A pdb=" N GLN A3830 " --> pdb=" O VAL A3826 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N SER A3831 " --> pdb=" O GLY A3827 " (cutoff:3.500A) removed outlier: 3.535A pdb=" N ILE A3832 " --> pdb=" O PHE A3828 " (cutoff:3.500A) removed outlier: 3.521A pdb=" N THR A3838 " --> pdb=" O ALA A3834 " (cutoff:3.500A) removed outlier: 4.549A pdb=" N CYS A3839 " --> pdb=" O LEU A3835 " (cutoff:3.500A) Processing helix chain 'A' and resid 3843 through 3856 removed outlier: 4.220A pdb=" N PHE A3847 " --> pdb=" O ASP A3843 " (cutoff:3.500A) removed outlier: 5.283A pdb=" N GLU A3848 " --> pdb=" O LEU A3844 " (cutoff:3.500A) removed outlier: 3.989A pdb=" N ARG A3849 " --> pdb=" O ASN A3845 " (cutoff:3.500A) removed outlier: 3.909A pdb=" N GLY A3855 " --> pdb=" O ASN A3851 " (cutoff:3.500A) removed outlier: 4.525A pdb=" N LEU A3856 " --> pdb=" O LYS A3852 " (cutoff:3.500A) Processing helix chain 'A' and resid 3866 through 3871 removed outlier: 4.005A pdb=" N ASN A3870 " --> pdb=" O ILE A3866 " (cutoff:3.500A) Processing helix chain 'A' and resid 3877 through 3893 removed outlier: 3.886A pdb=" N PHE A3885 " --> pdb=" O THR A3881 " (cutoff:3.500A) removed outlier: 4.265A pdb=" N CYS A3892 " --> pdb=" O LEU A3888 " (cutoff:3.500A) Processing helix chain 'A' and resid 3896 through 3905 removed outlier: 4.058A pdb=" N GLN A3900 " --> pdb=" O ASN A3896 " (cutoff:3.500A) removed outlier: 3.567A pdb=" N ARG A3904 " --> pdb=" O GLN A3900 " (cutoff:3.500A) Processing helix chain 'A' and resid 3914 through 3938 removed outlier: 3.655A pdb=" N CYS A3918 " --> pdb=" O ASN A3914 " (cutoff:3.500A) Processing helix chain 'A' and resid 3944 through 3970 removed outlier: 3.651A pdb=" N VAL A3957 " --> pdb=" O LYS A3953 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N GLU A3967 " --> pdb=" O ASN A3963 " (cutoff:3.500A) removed outlier: 3.658A pdb=" N TYR A3968 " --> pdb=" O SER A3964 " (cutoff:3.500A) Processing helix chain 'A' and resid 3973 through 3984 removed outlier: 3.963A pdb=" N GLN A3977 " --> pdb=" O CYS A3973 " (cutoff:3.500A) removed outlier: 5.264A pdb=" N ARG A3984 " --> pdb=" O LEU A3980 " (cutoff:3.500A) Processing helix chain 'A' and resid 3985 through 4004 removed outlier: 3.507A pdb=" N HIS A3998 " --> pdb=" O HIS A3994 " (cutoff:3.500A) removed outlier: 3.948A pdb=" N MET A4001 " --> pdb=" O ALA A3997 " (cutoff:3.500A) Processing helix chain 'A' and resid 4009 through 4032 removed outlier: 3.680A pdb=" N LEU A4013 " --> pdb=" O GLN A4009 " (cutoff:3.500A) removed outlier: 3.613A pdb=" N LEU A4031 " --> pdb=" O LEU A4027 " (cutoff:3.500A) removed outlier: 3.816A pdb=" N GLU A4032 " --> pdb=" O LEU A4028 " (cutoff:3.500A) Processing helix chain 'A' and resid 4038 through 4052 removed outlier: 3.655A pdb=" N ARG A4042 " --> pdb=" O GLY A4038 " (cutoff:3.500A) removed outlier: 3.665A pdb=" N MET A4047 " --> pdb=" O GLN A4043 " (cutoff:3.500A) Processing helix chain 'A' and resid 4053 through 4072 removed outlier: 3.508A pdb=" N MET A4057 " --> pdb=" O SER A4053 " (cutoff:3.500A) removed outlier: 3.754A pdb=" N LEU A4066 " --> pdb=" O PHE A4062 " (cutoff:3.500A) removed outlier: 3.719A pdb=" N LEU A4068 " --> pdb=" O MET A4064 " (cutoff:3.500A) removed outlier: 4.839A pdb=" N LYS A4069 " --> pdb=" O PHE A4065 " (cutoff:3.500A) removed outlier: 4.006A pdb=" N ASP A4070 " --> pdb=" O LEU A4066 " (cutoff:3.500A) Processing helix chain 'A' and resid 4074 through 4082 removed outlier: 3.732A pdb=" N GLN A4078 " --> pdb=" O SER A4074 " (cutoff:3.500A) removed outlier: 3.895A pdb=" N VAL A4081 " --> pdb=" O PHE A4077 " (cutoff:3.500A) removed outlier: 5.558A pdb=" N THR A4082 " --> pdb=" O GLN A4078 " (cutoff:3.500A) Processing helix chain 'A' and resid 4089 through 4101 removed outlier: 3.877A pdb=" N PHE A4093 " --> pdb=" O SER A4089 " (cutoff:3.500A) removed outlier: 3.708A pdb=" N GLN A4100 " --> pdb=" O ALA A4096 " (cutoff:3.500A) removed outlier: 5.393A pdb=" N LYS A4101 " --> pdb=" O MET A4097 " (cutoff:3.500A) Processing helix chain 'A' and resid 4104 through 4116 removed outlier: 3.502A pdb=" N ILE A4108 " --> pdb=" O THR A4104 " (cutoff:3.500A) removed outlier: 4.005A pdb=" N GLN A4109 " --> pdb=" O GLY A4105 " (cutoff:3.500A) removed outlier: 3.559A pdb=" N PHE A4110 " --> pdb=" O PRO A4106 " (cutoff:3.500A) removed outlier: 5.215A pdb=" N GLU A4116 " --> pdb=" O LEU A4112 " (cutoff:3.500A) Processing helix chain 'A' and resid 4124 through 4137 removed outlier: 3.571A pdb=" N ASN A4130 " --> pdb=" O GLU A4126 " (cutoff:3.500A) removed outlier: 4.820A pdb=" N PHE A4132 " --> pdb=" O PHE A4128 " (cutoff:3.500A) removed outlier: 4.280A pdb=" N GLN A4133 " --> pdb=" O ALA A4129 " (cutoff:3.500A) removed outlier: 4.486A pdb=" N GLU A4134 " --> pdb=" O ASN A4130 " (cutoff:3.500A) Proline residue: A4135 - end of helix Processing helix chain 'A' and resid 4138 through 4154 removed outlier: 3.662A pdb=" N ALA A4144 " --> pdb=" O GLY A4140 " (cutoff:3.500A) Processing helix chain 'A' and resid 4157 through 4168 removed outlier: 3.796A pdb=" N GLU A4165 " --> pdb=" O ARG A4161 " (cutoff:3.500A) Processing helix chain 'A' and resid 4169 through 4175 removed outlier: 3.774A pdb=" N PHE A4174 " --> pdb=" O ILE A4170 " (cutoff:3.500A) Processing helix chain 'A' and resid 4198 through 4207 removed outlier: 3.641A pdb=" N ARG A4202 " --> pdb=" O SER A4198 " (cutoff:3.500A) removed outlier: 4.658A pdb=" N MET A4207 " --> pdb=" O ALA A4203 " (cutoff:3.500A) Processing helix chain 'A' and resid 4208 through 4224 removed outlier: 3.793A pdb=" N SER A4213 " --> pdb=" O GLN A4209 " (cutoff:3.500A) removed outlier: 3.535A pdb=" N PHE A4219 " --> pdb=" O ARG A4215 " (cutoff:3.500A) removed outlier: 3.504A pdb=" N VAL A4221 " --> pdb=" O PHE A4217 " (cutoff:3.500A) removed outlier: 3.558A pdb=" N VAL A4222 " --> pdb=" O ILE A4218 " (cutoff:3.500A) removed outlier: 4.073A pdb=" N GLU A4224 " --> pdb=" O ASP A4220 " (cutoff:3.500A) Processing helix chain 'A' and resid 4227 through 4252 removed outlier: 4.943A pdb=" N MET A4231 " --> pdb=" O GLU A4227 " (cutoff:3.500A) removed outlier: 4.462A pdb=" N GLU A4232 " --> pdb=" O ALA A4228 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N ASP A4240 " --> pdb=" O SER A4236 " (cutoff:3.500A) Processing helix chain 'A' and resid 4541 through 4559 removed outlier: 3.848A pdb=" N ASN A4558 " --> pdb=" O TYR A4554 " (cutoff:3.500A) Processing helix chain 'A' and resid 4560 through 4579 removed outlier: 3.607A pdb=" N ASN A4574 " --> pdb=" O ALA A4570 " (cutoff:3.500A) removed outlier: 3.520A pdb=" N LEU A4577 " --> pdb=" O ILE A4573 " (cutoff:3.500A) removed outlier: 4.114A pdb=" N LEU A4578 " --> pdb=" O ASN A4574 " (cutoff:3.500A) removed outlier: 5.148A pdb=" N PHE A4579 " --> pdb=" O PHE A4575 " (cutoff:3.500A) Processing helix chain 'A' and resid 4639 through 4683 removed outlier: 3.747A pdb=" N LEU A4648 " --> pdb=" O TRP A4644 " (cutoff:3.500A) removed outlier: 3.540A pdb=" N LYS A4665 " --> pdb=" O TYR A4661 " (cutoff:3.500A) removed outlier: 5.470A pdb=" N VAL A4666 " --> pdb=" O ASN A4662 " (cutoff:3.500A) Proline residue: A4667 - end of helix removed outlier: 3.567A pdb=" N ILE A4670 " --> pdb=" O VAL A4666 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N ARG A4673 " --> pdb=" O VAL A4669 " (cutoff:3.500A) removed outlier: 3.560A pdb=" N ALA A4678 " --> pdb=" O GLU A4674 " (cutoff:3.500A) Processing helix chain 'A' and resid 4696 through 4709 removed outlier: 3.931A pdb=" N GLN A4700 " --> pdb=" O ASP A4696 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N ASP A4702 " --> pdb=" O LYS A4698 " (cutoff:3.500A) removed outlier: 4.121A pdb=" N ARG A4703 " --> pdb=" O GLY A4699 " (cutoff:3.500A) removed outlier: 4.799A pdb=" N LEU A4704 " --> pdb=" O GLN A4700 " (cutoff:3.500A) removed outlier: 5.008A pdb=" N VAL A4705 " --> pdb=" O TRP A4701 " (cutoff:3.500A) removed outlier: 4.237A pdb=" N LEU A4706 " --> pdb=" O ASP A4702 " (cutoff:3.500A) removed outlier: 4.803A pdb=" N ASN A4707 " --> pdb=" O ARG A4703 " (cutoff:3.500A) removed outlier: 4.975A pdb=" N THR A4708 " --> pdb=" O LEU A4704 " (cutoff:3.500A) Proline residue: A4709 - end of helix Processing helix chain 'A' and resid 4719 through 4729 Processing helix chain 'A' and resid 4733 through 4742 Processing helix chain 'A' and resid 4745 through 4756 removed outlier: 3.930A pdb=" N ILE A4750 " --> pdb=" O ALA A4746 " (cutoff:3.500A) removed outlier: 4.700A pdb=" N THR A4751 " --> pdb=" O SER A4747 " (cutoff:3.500A) Processing helix chain 'A' and resid 4766 through 4772 removed outlier: 5.530A pdb=" N ASP A4772 " --> pdb=" O LEU A4768 " (cutoff:3.500A) Processing helix chain 'A' and resid 4773 through 4787 removed outlier: 3.887A pdb=" N PHE A4784 " --> pdb=" O PHE A4780 " (cutoff:3.500A) removed outlier: 5.682A pdb=" N ASN A4787 " --> pdb=" O ILE A4783 " (cutoff:3.500A) Processing helix chain 'A' and resid 4788 through 4805 removed outlier: 4.116A pdb=" N HIS A4803 " --> pdb=" O SER A4799 " (cutoff:3.500A) removed outlier: 4.415A pdb=" N TYR A4804 " --> pdb=" O LEU A4800 " (cutoff:3.500A) Processing helix chain 'A' and resid 4806 through 4819 removed outlier: 5.070A pdb=" N ALA A4810 " --> pdb=" O ASN A4806 " (cutoff:3.500A) removed outlier: 5.381A pdb=" N ALA A4811 " --> pdb=" O PHE A4807 " (cutoff:3.500A) removed outlier: 5.189A pdb=" N HIS A4812 " --> pdb=" O PHE A4808 " (cutoff:3.500A) removed outlier: 4.559A pdb=" N LEU A4813 " --> pdb=" O PHE A4809 " (cutoff:3.500A) removed outlier: 4.388A pdb=" N LEU A4814 " --> pdb=" O ALA A4810 " (cutoff:3.500A) removed outlier: 4.485A pdb=" N ASP A4815 " --> pdb=" O ALA A4811 " (cutoff:3.500A) removed outlier: 5.088A pdb=" N ILE A4816 " --> pdb=" O HIS A4812 " (cutoff:3.500A) removed outlier: 5.084A pdb=" N ALA A4817 " --> pdb=" O LEU A4813 " (cutoff:3.500A) removed outlier: 3.838A pdb=" N MET A4818 " --> pdb=" O LEU A4814 " (cutoff:3.500A) Processing helix chain 'A' and resid 4821 through 4832 removed outlier: 3.687A pdb=" N THR A4825 " --> pdb=" O LYS A4821 " (cutoff:3.500A) removed outlier: 4.180A pdb=" N ILE A4826 " --> pdb=" O THR A4822 " (cutoff:3.500A) removed outlier: 3.724A pdb=" N LEU A4827 " --> pdb=" O LEU A4823 " (cutoff:3.500A) removed outlier: 4.131A pdb=" N VAL A4830 " --> pdb=" O ILE A4826 " (cutoff:3.500A) removed outlier: 4.194A pdb=" N THR A4831 " --> pdb=" O LEU A4827 " (cutoff:3.500A) Processing helix chain 'A' and resid 4833 through 4858 removed outlier: 3.673A pdb=" N MET A4839 " --> pdb=" O LYS A4835 " (cutoff:3.500A) removed outlier: 3.537A pdb=" N THR A4840 " --> pdb=" O GLN A4836 " (cutoff:3.500A) removed outlier: 3.825A pdb=" N VAL A4854 " --> pdb=" O LEU A4850 " (cutoff:3.500A) Processing helix chain 'A' and resid 4878 through 4893 removed outlier: 4.848A pdb=" N VAL A4891 " --> pdb=" O MET A4887 " (cutoff:3.500A) removed outlier: 4.527A pdb=" N ARG A4892 " --> pdb=" O TYR A4888 " (cutoff:3.500A) Processing helix chain 'A' and resid 4897 through 4902 removed outlier: 4.003A pdb=" N ILE A4901 " --> pdb=" O ILE A4897 " (cutoff:3.500A) removed outlier: 5.338A pdb=" N GLU A4902 " --> pdb=" O GLY A4898 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 4897 through 4902' Processing helix chain 'A' and resid 4909 through 4925 removed outlier: 3.647A pdb=" N ARG A4913 " --> pdb=" O TYR A4909 " (cutoff:3.500A) removed outlier: 3.694A pdb=" N VAL A4914 " --> pdb=" O GLU A4910 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N VAL A4915 " --> pdb=" O LEU A4911 " (cutoff:3.500A) removed outlier: 4.136A pdb=" N ILE A4918 " --> pdb=" O VAL A4914 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N PHE A4923 " --> pdb=" O THR A4919 " (cutoff:3.500A) removed outlier: 3.844A pdb=" N ILE A4925 " --> pdb=" O PHE A4921 " (cutoff:3.500A) Processing helix chain 'A' and resid 4928 through 4957 removed outlier: 3.541A pdb=" N GLN A4933 " --> pdb=" O LEU A4929 " (cutoff:3.500A) removed outlier: 3.583A pdb=" N ILE A4937 " --> pdb=" O GLN A4933 " (cutoff:3.500A) removed outlier: 4.581A pdb=" N ASP A4938 " --> pdb=" O GLY A4934 " (cutoff:3.500A) removed outlier: 3.531A pdb=" N ALA A4939 " --> pdb=" O LEU A4935 " (cutoff:3.500A) removed outlier: 3.902A pdb=" N LYS A4951 " --> pdb=" O GLN A4947 " (cutoff:3.500A) Processing helix chain 'A' and resid 4964 through 4970 removed outlier: 4.444A pdb=" N PHE A4968 " --> pdb=" O GLY A4964 " (cutoff:3.500A) removed outlier: 3.963A pdb=" N ASP A4969 " --> pdb=" O SER A4965 " (cutoff:3.500A) removed outlier: 5.263A pdb=" N THR A4970 " --> pdb=" O ASP A4966 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 4964 through 4970' Processing helix chain 'A' and resid 4973 through 4981 removed outlier: 3.547A pdb=" N GLU A4981 " --> pdb=" O THR A4977 " (cutoff:3.500A) Processing helix chain 'A' and resid 4984 through 4999 removed outlier: 3.571A pdb=" N MET A4989 " --> pdb=" O LEU A4985 " (cutoff:3.500A) removed outlier: 3.537A pdb=" N LEU A4992 " --> pdb=" O TYR A4988 " (cutoff:3.500A) removed outlier: 5.770A pdb=" N ASP A4999 " --> pdb=" O LEU A4995 " (cutoff:3.500A) Processing helix chain 'A' and resid 5004 through 5017 removed outlier: 3.776A pdb=" N GLU A5016 " --> pdb=" O LYS A5012 " (cutoff:3.500A) Processing helix chain 'A' and resid 502 through 507 removed outlier: 4.181A pdb=" N TYR A 506 " --> pdb=" O PHE A 503 " (cutoff:3.500A) removed outlier: 3.759A pdb=" N ALA A 507 " --> pdb=" O ALA A 504 " (cutoff:3.500A) Processing helix chain 'A' and resid 810 through 815 removed outlier: 3.536A pdb=" N GLU A 813 " --> pdb=" O PRO A 810 " (cutoff:3.500A) removed outlier: 3.833A pdb=" N ALA A 814 " --> pdb=" O CYS A 811 " (cutoff:3.500A) removed outlier: 4.129A pdb=" N VAL A 815 " --> pdb=" O HIS A 812 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 810 through 815' Processing helix chain 'A' and resid 4685 through 4690 removed outlier: 3.748A pdb=" N GLU A4690 " --> pdb=" O GLY A4685 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 4685 through 4690' Processing helix chain 'D' and resid 61 through 66 removed outlier: 4.788A pdb=" N CYS D 65 " --> pdb=" O ASP D 61 " (cutoff:3.500A) removed outlier: 3.759A pdb=" N CYS D 66 " --> pdb=" O LEU D 62 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 61 through 66' Processing helix chain 'D' and resid 74 through 84 removed outlier: 3.577A pdb=" N GLU D 80 " --> pdb=" O ARG D 76 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N MET D 81 " --> pdb=" O ALA D 77 " (cutoff:3.500A) Processing helix chain 'D' and resid 142 through 147 removed outlier: 4.129A pdb=" N CYS D 146 " --> pdb=" O THR D 142 " (cutoff:3.500A) removed outlier: 4.604A pdb=" N TRP D 147 " --> pdb=" O GLY D 143 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 142 through 147' Processing helix chain 'D' and resid 249 through 256 removed outlier: 3.818A pdb=" N HIS D 255 " --> pdb=" O ALA D 251 " (cutoff:3.500A) removed outlier: 4.864A pdb=" N ALA D 256 " --> pdb=" O VAL D 252 " (cutoff:3.500A) Processing helix chain 'D' and resid 394 through 423 removed outlier: 3.633A pdb=" N SER D 398 " --> pdb=" O GLN D 394 " (cutoff:3.500A) removed outlier: 3.768A pdb=" N ALA D 400 " --> pdb=" O GLU D 396 " (cutoff:3.500A) removed outlier: 3.668A pdb=" N LEU D 410 " --> pdb=" O SER D 406 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N GLN D 413 " --> pdb=" O GLY D 409 " (cutoff:3.500A) removed outlier: 4.237A pdb=" N PHE D 421 " --> pdb=" O GLY D 417 " (cutoff:3.500A) removed outlier: 4.933A pdb=" N GLY D 423 " --> pdb=" O ASP D 419 " (cutoff:3.500A) Processing helix chain 'D' and resid 437 through 453 removed outlier: 3.760A pdb=" N LEU D 443 " --> pdb=" O GLU D 439 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N SER D 444 " --> pdb=" O ALA D 440 " (cutoff:3.500A) removed outlier: 3.620A pdb=" N LEU D 445 " --> pdb=" O VAL D 441 " (cutoff:3.500A) Processing helix chain 'D' and resid 460 through 482 removed outlier: 4.170A pdb=" N SER D 466 " --> pdb=" O GLU D 462 " (cutoff:3.500A) removed outlier: 3.541A pdb=" N PHE D 478 " --> pdb=" O ARG D 474 " (cutoff:3.500A) removed outlier: 3.860A pdb=" N GLU D 481 " --> pdb=" O LEU D 477 " (cutoff:3.500A) removed outlier: 4.037A pdb=" N GLY D 482 " --> pdb=" O PHE D 478 " (cutoff:3.500A) Processing helix chain 'D' and resid 483 through 498 removed outlier: 4.881A pdb=" N VAL D 487 " --> pdb=" O MET D 483 " (cutoff:3.500A) removed outlier: 4.673A pdb=" N VAL D 496 " --> pdb=" O ASP D 492 " (cutoff:3.500A) removed outlier: 5.191A pdb=" N TYR D 497 " --> pdb=" O ARG D 493 " (cutoff:3.500A) removed outlier: 5.446A pdb=" N THR D 498 " --> pdb=" O LEU D 494 " (cutoff:3.500A) Processing helix chain 'D' and resid 508 through 531 removed outlier: 4.534A pdb=" N LYS D 516 " --> pdb=" O ALA D 512 " (cutoff:3.500A) removed outlier: 5.021A pdb=" N GLU D 517 " --> pdb=" O GLU D 513 " (cutoff:3.500A) removed outlier: 3.708A pdb=" N ILE D 518 " --> pdb=" O SER D 514 " (cutoff:3.500A) removed outlier: 4.032A pdb=" N VAL D 519 " --> pdb=" O TRP D 515 " (cutoff:3.500A) removed outlier: 3.953A pdb=" N ARG D 531 " --> pdb=" O ALA D 527 " (cutoff:3.500A) Processing helix chain 'D' and resid 533 through 541 removed outlier: 3.974A pdb=" N LEU D 539 " --> pdb=" O ALA D 535 " (cutoff:3.500A) removed outlier: 4.159A pdb=" N PHE D 540 " --> pdb=" O ASN D 536 " (cutoff:3.500A) removed outlier: 4.505A pdb=" N SER D 541 " --> pdb=" O CYS D 537 " (cutoff:3.500A) Processing helix chain 'D' and resid 543 through 551 removed outlier: 3.897A pdb=" N VAL D 547 " --> pdb=" O ASN D 543 " (cutoff:3.500A) removed outlier: 4.533A pdb=" N LYS D 550 " --> pdb=" O TRP D 546 " (cutoff:3.500A) removed outlier: 4.087A pdb=" N LEU D 551 " --> pdb=" O VAL D 547 " (cutoff:3.500A) Processing helix chain 'D' and resid 556 through 571 removed outlier: 3.633A pdb=" N LEU D 561 " --> pdb=" O SER D 557 " (cutoff:3.500A) removed outlier: 3.576A pdb=" N ILE D 569 " --> pdb=" O TYR D 565 " (cutoff:3.500A) removed outlier: 4.223A pdb=" N GLU D 570 " --> pdb=" O CYS D 566 " (cutoff:3.500A) removed outlier: 4.090A pdb=" N SER D 571 " --> pdb=" O VAL D 567 " (cutoff:3.500A) Processing helix chain 'D' and resid 572 through 578 removed outlier: 4.053A pdb=" N ASN D 576 " --> pdb=" O PRO D 572 " (cutoff:3.500A) removed outlier: 4.248A pdb=" N ILE D 577 " --> pdb=" O GLU D 573 " (cutoff:3.500A) removed outlier: 3.936A pdb=" N ILE D 578 " --> pdb=" O VAL D 574 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 572 through 578' Processing helix chain 'D' and resid 579 through 594 removed outlier: 3.761A pdb=" N ILE D 583 " --> pdb=" O GLN D 579 " (cutoff:3.500A) removed outlier: 3.542A pdb=" N ILE D 586 " --> pdb=" O HIS D 582 " (cutoff:3.500A) removed outlier: 3.760A pdb=" N GLY D 594 " --> pdb=" O LEU D 590 " (cutoff:3.500A) Processing helix chain 'D' and resid 596 through 609 removed outlier: 4.103A pdb=" N LEU D 600 " --> pdb=" O ASN D 596 " (cutoff:3.500A) removed outlier: 3.526A pdb=" N LEU D 603 " --> pdb=" O VAL D 599 " (cutoff:3.500A) removed outlier: 3.819A pdb=" N CYS D 607 " --> pdb=" O LEU D 603 " (cutoff:3.500A) removed outlier: 4.388A pdb=" N VAL D 608 " --> pdb=" O CYS D 604 " (cutoff:3.500A) removed outlier: 5.559A pdb=" N CYS D 609 " --> pdb=" O SER D 605 " (cutoff:3.500A) Processing helix chain 'D' and resid 614 through 629 removed outlier: 4.099A pdb=" N ASP D 619 " --> pdb=" O ARG D 615 " (cutoff:3.500A) removed outlier: 4.793A pdb=" N LEU D 620 " --> pdb=" O SER D 616 " (cutoff:3.500A) removed outlier: 3.842A pdb=" N ILE D 621 " --> pdb=" O ASN D 617 " (cutoff:3.500A) removed outlier: 3.840A pdb=" N THR D 622 " --> pdb=" O GLN D 618 " (cutoff:3.500A) removed outlier: 3.986A pdb=" N LEU D 626 " --> pdb=" O THR D 622 " (cutoff:3.500A) Proline residue: D 627 - end of helix Processing helix chain 'D' and resid 864 through 890 removed outlier: 3.864A pdb=" N ARG D 869 " --> pdb=" O PRO D 865 " (cutoff:3.500A) removed outlier: 4.716A pdb=" N ILE D 870 " --> pdb=" O HIS D 866 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N ARG D 871 " --> pdb=" O LEU D 867 " (cutoff:3.500A) removed outlier: 4.477A pdb=" N GLU D 872 " --> pdb=" O GLU D 868 " (cutoff:3.500A) removed outlier: 3.925A pdb=" N LYS D 873 " --> pdb=" O ARG D 869 " (cutoff:3.500A) Processing helix chain 'D' and resid 909 through 914 Proline residue: D 914 - end of helix Processing helix chain 'D' and resid 915 through 936 removed outlier: 3.503A pdb=" N TYR D 920 " --> pdb=" O PRO D 916 " (cutoff:3.500A) removed outlier: 3.538A pdb=" N LYS D 930 " --> pdb=" O GLY D 926 " (cutoff:3.500A) removed outlier: 3.667A pdb=" N LEU D 933 " --> pdb=" O LEU D 929 " (cutoff:3.500A) removed outlier: 3.639A pdb=" N ALA D 934 " --> pdb=" O LYS D 930 " (cutoff:3.500A) removed outlier: 3.546A pdb=" N LEU D 935 " --> pdb=" O THR D 931 " (cutoff:3.500A) removed outlier: 4.296A pdb=" N GLY D 936 " --> pdb=" O LEU D 932 " (cutoff:3.500A) Processing helix chain 'D' and resid 943 through 951 removed outlier: 5.417A pdb=" N LYS D 951 " --> pdb=" O GLU D 947 " (cutoff:3.500A) Processing helix chain 'D' and resid 978 through 1004 Processing helix chain 'D' and resid 1028 through 1050 removed outlier: 3.807A pdb=" N GLN D1041 " --> pdb=" O ASP D1037 " (cutoff:3.500A) removed outlier: 4.228A pdb=" N ALA D1042 " --> pdb=" O SER D1038 " (cutoff:3.500A) removed outlier: 3.646A pdb=" N ARG D1044 " --> pdb=" O CYS D1040 " (cutoff:3.500A) removed outlier: 3.651A pdb=" N THR D1045 " --> pdb=" O GLN D1041 " (cutoff:3.500A) removed outlier: 3.983A pdb=" N GLY D1050 " --> pdb=" O LEU D1046 " (cutoff:3.500A) Processing helix chain 'D' and resid 1207 through 1212 removed outlier: 3.660A pdb=" N LEU D1211 " --> pdb=" O ASP D1207 " (cutoff:3.500A) removed outlier: 5.572A pdb=" N ARG D1212 " --> pdb=" O VAL D1208 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 1207 through 1212' Processing helix chain 'D' and resid 1423 through 1430 removed outlier: 3.518A pdb=" N LEU D1428 " --> pdb=" O PRO D1424 " (cutoff:3.500A) removed outlier: 3.597A pdb=" N ASN D1429 " --> pdb=" O GLU D1425 " (cutoff:3.500A) removed outlier: 3.526A pdb=" N THR D1430 " --> pdb=" O ILE D1426 " (cutoff:3.500A) Processing helix chain 'D' and resid 1444 through 1449 removed outlier: 4.488A pdb=" N VAL D1448 " --> pdb=" O GLU D1444 " (cutoff:3.500A) removed outlier: 5.835A pdb=" N TRP D1449 " --> pdb=" O PRO D1445 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 1444 through 1449' Processing helix chain 'D' and resid 1496 through 1501 removed outlier: 4.251A pdb=" N PHE D1500 " --> pdb=" O TRP D1496 " (cutoff:3.500A) removed outlier: 3.730A pdb=" N VAL D1501 " --> pdb=" O GLY D1497 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 1496 through 1501' Processing helix chain 'D' and resid 1574 through 1580 removed outlier: 4.519A pdb=" N ALA D1578 " --> pdb=" O PRO D1574 " (cutoff:3.500A) removed outlier: 3.540A pdb=" N MET D1579 " --> pdb=" O LEU D1575 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N PHE D1580 " --> pdb=" O SER D1576 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 1574 through 1580' Processing helix chain 'D' and resid 1649 through 1657 removed outlier: 4.269A pdb=" N LEU D1653 " --> pdb=" O ASP D1649 " (cutoff:3.500A) removed outlier: 5.014A pdb=" N SER D1654 " --> pdb=" O ILE D1650 " (cutoff:3.500A) removed outlier: 5.058A pdb=" N GLU D1655 " --> pdb=" O LEU D1651 " (cutoff:3.500A) Processing helix chain 'D' and resid 1658 through 1675 removed outlier: 4.218A pdb=" N CYS D1674 " --> pdb=" O TYR D1670 " (cutoff:3.500A) removed outlier: 3.526A pdb=" N ALA D1675 " --> pdb=" O ARG D1671 " (cutoff:3.500A) Processing helix chain 'D' and resid 1678 through 1689 removed outlier: 3.531A pdb=" N ALA D1682 " --> pdb=" O ASN D1678 " (cutoff:3.500A) removed outlier: 3.520A pdb=" N ALA D1684 " --> pdb=" O ARG D1680 " (cutoff:3.500A) removed outlier: 3.765A pdb=" N SER D1687 " --> pdb=" O HIS D1683 " (cutoff:3.500A) removed outlier: 4.437A pdb=" N HIS D1688 " --> pdb=" O ALA D1684 " (cutoff:3.500A) Processing helix chain 'D' and resid 1690 through 1701 removed outlier: 3.538A pdb=" N ALA D1697 " --> pdb=" O GLN D1693 " (cutoff:3.500A) removed outlier: 3.638A pdb=" N LEU D1698 " --> pdb=" O LEU D1694 " (cutoff:3.500A) removed outlier: 4.221A pdb=" N GLU D1699 " --> pdb=" O LEU D1695 " (cutoff:3.500A) removed outlier: 3.508A pdb=" N ASP D1700 " --> pdb=" O HIS D1696 " (cutoff:3.500A) removed outlier: 6.282A pdb=" N ALA D1701 " --> pdb=" O ALA D1697 " (cutoff:3.500A) Processing helix chain 'D' and resid 1704 through 1719 removed outlier: 3.515A pdb=" N TYR D1712 " --> pdb=" O ARG D1708 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N ILE D1716 " --> pdb=" O TYR D1712 " (cutoff:3.500A) Processing helix chain 'D' and resid 1720 through 1732 removed outlier: 4.316A pdb=" N CYS D1724 " --> pdb=" O LEU D1720 " (cutoff:3.500A) removed outlier: 3.836A pdb=" N SER D1726 " --> pdb=" O SER D1722 " (cutoff:3.500A) removed outlier: 3.507A pdb=" N ARG D1727 " --> pdb=" O ALA D1723 " (cutoff:3.500A) removed outlier: 4.302A pdb=" N SER D1732 " --> pdb=" O ARG D1728 " (cutoff:3.500A) Processing helix chain 'D' and resid 1739 through 1745 removed outlier: 3.829A pdb=" N ARG D1743 " --> pdb=" O THR D1739 " (cutoff:3.500A) removed outlier: 4.199A pdb=" N ALA D1744 " --> pdb=" O PRO D1740 " (cutoff:3.500A) removed outlier: 5.145A pdb=" N ILE D1745 " --> pdb=" O GLU D1741 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 1739 through 1745' Processing helix chain 'D' and resid 1803 through 1825 removed outlier: 3.544A pdb=" N LEU D1807 " --> pdb=" O PRO D1803 " (cutoff:3.500A) removed outlier: 3.990A pdb=" N ASP D1809 " --> pdb=" O GLU D1805 " (cutoff:3.500A) removed outlier: 3.718A pdb=" N ARG D1820 " --> pdb=" O GLY D1816 " (cutoff:3.500A) removed outlier: 4.000A pdb=" N GLY D1823 " --> pdb=" O VAL D1819 " (cutoff:3.500A) removed outlier: 4.360A pdb=" N GLN D1824 " --> pdb=" O ARG D1820 " (cutoff:3.500A) removed outlier: 4.085A pdb=" N HIS D1825 " --> pdb=" O ASP D1821 " (cutoff:3.500A) Processing helix chain 'D' and resid 1833 through 1852 Proline residue: D1840 - end of helix removed outlier: 3.517A pdb=" N LEU D1844 " --> pdb=" O PRO D1840 " (cutoff:3.500A) Processing helix chain 'D' and resid 1855 through 1867 Processing helix chain 'D' and resid 1925 through 1930 removed outlier: 3.613A pdb=" N MET D1929 " --> pdb=" O GLY D1925 " (cutoff:3.500A) removed outlier: 5.646A pdb=" N LYS D1930 " --> pdb=" O LEU D1926 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 1925 through 1930' Processing helix chain 'D' and resid 1933 through 1981 removed outlier: 3.528A pdb=" N GLN D1938 " --> pdb=" O SER D1934 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N ASN D1941 " --> pdb=" O LEU D1937 " (cutoff:3.500A) removed outlier: 3.646A pdb=" N TYR D1945 " --> pdb=" O ASN D1941 " (cutoff:3.500A) removed outlier: 3.694A pdb=" N PHE D1946 " --> pdb=" O LEU D1942 " (cutoff:3.500A) removed outlier: 3.759A pdb=" N ASP D1967 " --> pdb=" O GLU D1963 " (cutoff:3.500A) removed outlier: 4.495A pdb=" N LYS D1968 " --> pdb=" O ARG D1964 " (cutoff:3.500A) removed outlier: 3.871A pdb=" N ALA D1971 " --> pdb=" O ASP D1967 " (cutoff:3.500A) Processing helix chain 'D' and resid 1987 through 1998 removed outlier: 3.838A pdb=" N THR D1991 " --> pdb=" O SER D1987 " (cutoff:3.500A) removed outlier: 3.972A pdb=" N ALA D1992 " --> pdb=" O ALA D1988 " (cutoff:3.500A) removed outlier: 5.558A pdb=" N ARG D1996 " --> pdb=" O ALA D1992 " (cutoff:3.500A) removed outlier: 4.555A pdb=" N GLU D1997 " --> pdb=" O ARG D1993 " (cutoff:3.500A) removed outlier: 3.610A pdb=" N PHE D1998 " --> pdb=" O ARG D1994 " (cutoff:3.500A) Processing helix chain 'D' and resid 2001 through 2011 removed outlier: 3.733A pdb=" N ILE D2006 " --> pdb=" O PRO D2002 " (cutoff:3.500A) removed outlier: 4.380A pdb=" N HIS D2011 " --> pdb=" O ASN D2007 " (cutoff:3.500A) Processing helix chain 'D' and resid 2024 through 2043 removed outlier: 3.874A pdb=" N ARG D2028 " --> pdb=" O PRO D2024 " (cutoff:3.500A) removed outlier: 4.692A pdb=" N GLN D2029 " --> pdb=" O GLU D2025 " (cutoff:3.500A) removed outlier: 4.910A pdb=" N ASP D2030 " --> pdb=" O ASP D2026 " (cutoff:3.500A) removed outlier: 5.163A pdb=" N LEU D2031 " --> pdb=" O ILE D2027 " (cutoff:3.500A) removed outlier: 3.921A pdb=" N GLN D2032 " --> pdb=" O ARG D2028 " (cutoff:3.500A) removed outlier: 4.315A pdb=" N GLY D2043 " --> pdb=" O LEU D2039 " (cutoff:3.500A) Processing helix chain 'D' and resid 2093 through 2109 removed outlier: 3.536A pdb=" N HIS D2100 " --> pdb=" O GLU D2096 " (cutoff:3.500A) removed outlier: 4.307A pdb=" N ASP D2109 " --> pdb=" O TRP D2105 " (cutoff:3.500A) Processing helix chain 'D' and resid 2113 through 2130 removed outlier: 3.551A pdb=" N VAL D2117 " --> pdb=" O SER D2113 " (cutoff:3.500A) removed outlier: 4.077A pdb=" N GLY D2130 " --> pdb=" O ARG D2126 " (cutoff:3.500A) Processing helix chain 'D' and resid 2131 through 2142 Proline residue: D2139 - end of helix removed outlier: 5.251A pdb=" N TYR D2142 " --> pdb=" O LEU D2138 " (cutoff:3.500A) Processing helix chain 'D' and resid 2145 through 2169 removed outlier: 4.291A pdb=" N VAL D2149 " --> pdb=" O SER D2145 " (cutoff:3.500A) removed outlier: 5.626A pdb=" N GLU D2150 " --> pdb=" O PRO D2146 " (cutoff:3.500A) removed outlier: 6.027A pdb=" N ASP D2151 " --> pdb=" O SER D2147 " (cutoff:3.500A) removed outlier: 4.278A pdb=" N SER D2154 " --> pdb=" O GLU D2150 " (cutoff:3.500A) removed outlier: 3.560A pdb=" N ILE D2162 " --> pdb=" O CYS D2158 " (cutoff:3.500A) removed outlier: 4.080A pdb=" N ILE D2167 " --> pdb=" O ARG D2163 " (cutoff:3.500A) removed outlier: 4.632A pdb=" N VAL D2168 " --> pdb=" O SER D2164 " (cutoff:3.500A) removed outlier: 5.311A pdb=" N GLN D2169 " --> pdb=" O LEU D2165 " (cutoff:3.500A) Processing helix chain 'D' and resid 2171 through 2189 removed outlier: 3.647A pdb=" N GLU D2175 " --> pdb=" O GLY D2171 " (cutoff:3.500A) removed outlier: 4.766A pdb=" N ASN D2176 " --> pdb=" O PRO D2172 " (cutoff:3.500A) removed outlier: 3.565A pdb=" N LEU D2177 " --> pdb=" O GLN D2173 " (cutoff:3.500A) removed outlier: 4.586A pdb=" N ASN D2187 " --> pdb=" O GLY D2183 " (cutoff:3.500A) removed outlier: 3.580A pdb=" N ASN D2188 " --> pdb=" O ASN D2184 " (cutoff:3.500A) removed outlier: 5.246A pdb=" N LYS D2189 " --> pdb=" O ILE D2185 " (cutoff:3.500A) Processing helix chain 'D' and resid 2190 through 2195 Proline residue: D2195 - end of helix Processing helix chain 'D' and resid 2196 through 2202 removed outlier: 3.815A pdb=" N GLY D2202 " --> pdb=" O MET D2198 " (cutoff:3.500A) Processing helix chain 'D' and resid 2203 through 2216 removed outlier: 3.859A pdb=" N VAL D2210 " --> pdb=" O THR D2206 " (cutoff:3.500A) Processing helix chain 'D' and resid 2225 through 2244 removed outlier: 3.715A pdb=" N SER D2231 " --> pdb=" O LYS D2227 " (cutoff:3.500A) removed outlier: 3.935A pdb=" N ARG D2241 " --> pdb=" O CYS D2237 " (cutoff:3.500A) removed outlier: 3.954A pdb=" N ILE D2242 " --> pdb=" O TYR D2238 " (cutoff:3.500A) removed outlier: 4.635A pdb=" N SER D2243 " --> pdb=" O PHE D2239 " (cutoff:3.500A) removed outlier: 5.565A pdb=" N ARG D2244 " --> pdb=" O CYS D2240 " (cutoff:3.500A) Processing helix chain 'D' and resid 2245 through 2255 removed outlier: 3.618A pdb=" N SER D2249 " --> pdb=" O GLN D2245 " (cutoff:3.500A) removed outlier: 3.854A pdb=" N MET D2250 " --> pdb=" O ASN D2246 " (cutoff:3.500A) removed outlier: 3.890A pdb=" N ASP D2252 " --> pdb=" O ARG D2248 " (cutoff:3.500A) removed outlier: 4.679A pdb=" N HIS D2253 " --> pdb=" O SER D2249 " (cutoff:3.500A) removed outlier: 4.040A pdb=" N LEU D2254 " --> pdb=" O MET D2250 " (cutoff:3.500A) removed outlier: 5.517A pdb=" N SER D2255 " --> pdb=" O PHE D2251 " (cutoff:3.500A) Processing helix chain 'D' and resid 2256 through 2262 removed outlier: 3.606A pdb=" N ASN D2260 " --> pdb=" O TYR D2256 " (cutoff:3.500A) removed outlier: 4.363A pdb=" N SER D2261 " --> pdb=" O LEU D2257 " (cutoff:3.500A) removed outlier: 5.152A pdb=" N GLY D2262 " --> pdb=" O LEU D2258 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 2256 through 2262' Processing helix chain 'D' and resid 2271 through 2281 removed outlier: 3.940A pdb=" N VAL D2275 " --> pdb=" O THR D2271 " (cutoff:3.500A) removed outlier: 4.023A pdb=" N VAL D2280 " --> pdb=" O ALA D2276 " (cutoff:3.500A) removed outlier: 3.601A pdb=" N ILE D2281 " --> pdb=" O ALA D2277 " (cutoff:3.500A) Processing helix chain 'D' and resid 2283 through 2290 Processing helix chain 'D' and resid 2291 through 2308 removed outlier: 4.180A pdb=" N LEU D2295 " --> pdb=" O GLN D2291 " (cutoff:3.500A) removed outlier: 4.032A pdb=" N LYS D2297 " --> pdb=" O GLN D2293 " (cutoff:3.500A) removed outlier: 4.092A pdb=" N VAL D2298 " --> pdb=" O ASP D2294 " (cutoff:3.500A) removed outlier: 3.575A pdb=" N VAL D2299 " --> pdb=" O LEU D2295 " (cutoff:3.500A) removed outlier: 3.543A pdb=" N CYS D2305 " --> pdb=" O TYR D2301 " (cutoff:3.500A) removed outlier: 3.859A pdb=" N GLY D2306 " --> pdb=" O LEU D2302 " (cutoff:3.500A) removed outlier: 4.554A pdb=" N LEU D2307 " --> pdb=" O ALA D2303 " (cutoff:3.500A) removed outlier: 3.612A pdb=" N GLN D2308 " --> pdb=" O GLY D2304 " (cutoff:3.500A) Processing helix chain 'D' and resid 2310 through 2317 removed outlier: 3.577A pdb=" N ALA D2315 " --> pdb=" O PRO D2311 " (cutoff:3.500A) Processing helix chain 'D' and resid 2326 through 2340 removed outlier: 4.046A pdb=" N ARG D2330 " --> pdb=" O CYS D2326 " (cutoff:3.500A) removed outlier: 4.075A pdb=" N TYR D2331 " --> pdb=" O GLY D2327 " (cutoff:3.500A) removed outlier: 3.713A pdb=" N PHE D2334 " --> pdb=" O ARG D2330 " (cutoff:3.500A) removed outlier: 3.519A pdb=" N LEU D2335 " --> pdb=" O TYR D2331 " (cutoff:3.500A) removed outlier: 4.160A pdb=" N PHE D2337 " --> pdb=" O ASP D2333 " (cutoff:3.500A) removed outlier: 3.903A pdb=" N ALA D2338 " --> pdb=" O PHE D2334 " (cutoff:3.500A) Processing helix chain 'D' and resid 2346 through 2361 removed outlier: 3.949A pdb=" N ALA D2350 " --> pdb=" O VAL D2346 " (cutoff:3.500A) removed outlier: 4.363A pdb=" N ARG D2359 " --> pdb=" O ARG D2355 " (cutoff:3.500A) removed outlier: 4.282A pdb=" N LYS D2360 " --> pdb=" O LEU D2356 " (cutoff:3.500A) Proline residue: D2361 - end of helix Processing helix chain 'D' and resid 2375 through 2390 removed outlier: 3.614A pdb=" N ASP D2389 " --> pdb=" O ARG D2385 " (cutoff:3.500A) Proline residue: D2390 - end of helix Processing helix chain 'D' and resid 2417 through 2437 removed outlier: 4.379A pdb=" N MET D2423 " --> pdb=" O GLY D2419 " (cutoff:3.500A) removed outlier: 3.565A pdb=" N LEU D2432 " --> pdb=" O ALA D2428 " (cutoff:3.500A) removed outlier: 4.042A pdb=" N ALA D2437 " --> pdb=" O LEU D2433 " (cutoff:3.500A) Processing helix chain 'D' and resid 2439 through 2446 removed outlier: 3.511A pdb=" N ILE D2443 " --> pdb=" O GLU D2439 " (cutoff:3.500A) removed outlier: 3.549A pdb=" N ALA D2445 " --> pdb=" O HIS D2441 " (cutoff:3.500A) removed outlier: 4.999A pdb=" N GLY D2446 " --> pdb=" O LEU D2442 " (cutoff:3.500A) Processing helix chain 'D' and resid 2447 through 2462 removed outlier: 3.933A pdb=" N LEU D2451 " --> pdb=" O LYS D2447 " (cutoff:3.500A) removed outlier: 3.632A pdb=" N ARG D2452 " --> pdb=" O GLY D2448 " (cutoff:3.500A) Proline residue: D2462 - end of helix Processing helix chain 'D' and resid 2463 through 2472 Processing helix chain 'D' and resid 2495 through 2509 removed outlier: 4.633A pdb=" N LYS D2499 " --> pdb=" O VAL D2495 " (cutoff:3.500A) Processing helix chain 'D' and resid 2514 through 2537 removed outlier: 4.277A pdb=" N LEU D2518 " --> pdb=" O ASN D2514 " (cutoff:3.500A) removed outlier: 3.543A pdb=" N VAL D2521 " --> pdb=" O PHE D2517 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N PHE D2526 " --> pdb=" O LEU D2522 " (cutoff:3.500A) removed outlier: 3.683A pdb=" N LEU D2527 " --> pdb=" O ASP D2523 " (cutoff:3.500A) Proline residue: D2528 - end of helix removed outlier: 3.915A pdb=" N ALA D2532 " --> pdb=" O PRO D2528 " (cutoff:3.500A) removed outlier: 3.735A pdb=" N ASP D2537 " --> pdb=" O ALA D2533 " (cutoff:3.500A) Processing helix chain 'D' and resid 2544 through 2566 removed outlier: 3.558A pdb=" N LEU D2548 " --> pdb=" O THR D2544 " (cutoff:3.500A) removed outlier: 5.727A pdb=" N LEU D2559 " --> pdb=" O CYS D2555 " (cutoff:3.500A) Proline residue: D2560 - end of helix Processing helix chain 'D' and resid 2575 through 2592 removed outlier: 4.963A pdb=" N VAL D2579 " --> pdb=" O ARG D2575 " (cutoff:3.500A) removed outlier: 3.819A pdb=" N ASP D2580 " --> pdb=" O ALA D2576 " (cutoff:3.500A) removed outlier: 3.639A pdb=" N TYR D2587 " --> pdb=" O LEU D2583 " (cutoff:3.500A) removed outlier: 3.960A pdb=" N ARG D2591 " --> pdb=" O TYR D2587 " (cutoff:3.500A) removed outlier: 5.376A pdb=" N GLY D2592 " --> pdb=" O ARG D2588 " (cutoff:3.500A) Processing helix chain 'D' and resid 2596 through 2614 removed outlier: 3.573A pdb=" N VAL D2602 " --> pdb=" O ALA D2598 " (cutoff:3.500A) removed outlier: 3.712A pdb=" N ARG D2612 " --> pdb=" O MET D2608 " (cutoff:3.500A) removed outlier: 4.667A pdb=" N TYR D2613 " --> pdb=" O ALA D2609 " (cutoff:3.500A) removed outlier: 5.212A pdb=" N ILE D2614 " --> pdb=" O LEU D2610 " (cutoff:3.500A) Processing helix chain 'D' and resid 2617 through 2634 removed outlier: 4.848A pdb=" N HIS D2621 " --> pdb=" O SER D2617 " (cutoff:3.500A) removed outlier: 4.424A pdb=" N LEU D2622 " --> pdb=" O MET D2618 " (cutoff:3.500A) removed outlier: 3.649A pdb=" N VAL D2627 " --> pdb=" O LEU D2623 " (cutoff:3.500A) removed outlier: 4.038A pdb=" N PHE D2628 " --> pdb=" O ARG D2624 " (cutoff:3.500A) removed outlier: 3.928A pdb=" N ASP D2629 " --> pdb=" O ARG D2625 " (cutoff:3.500A) Proline residue: D2631 - end of helix removed outlier: 5.103A pdb=" N ASN D2634 " --> pdb=" O VAL D2630 " (cutoff:3.500A) Processing helix chain 'D' and resid 2748 through 2774 removed outlier: 3.586A pdb=" N ASP D2752 " --> pdb=" O PRO D2748 " (cutoff:3.500A) removed outlier: 4.138A pdb=" N SER D2753 " --> pdb=" O GLU D2749 " (cutoff:3.500A) removed outlier: 4.028A pdb=" N ASN D2756 " --> pdb=" O ASP D2752 " (cutoff:3.500A) removed outlier: 4.131A pdb=" N GLN D2772 " --> pdb=" O PHE D2768 " (cutoff:3.500A) removed outlier: 4.202A pdb=" N ASN D2773 " --> pdb=" O ASP D2769 " (cutoff:3.500A) removed outlier: 3.828A pdb=" N ASN D2774 " --> pdb=" O LYS D2770 " (cutoff:3.500A) Processing helix chain 'D' and resid 2793 through 2798 removed outlier: 3.784A pdb=" N PHE D2797 " --> pdb=" O PRO D2793 " (cutoff:3.500A) removed outlier: 6.001A pdb=" N SER D2798 " --> pdb=" O TYR D2794 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 2793 through 2798' Processing helix chain 'D' and resid 2799 through 2820 removed outlier: 3.894A pdb=" N GLU D2803 " --> pdb=" O GLU D2799 " (cutoff:3.500A) removed outlier: 6.027A pdb=" N ILE D2804 " --> pdb=" O LYS D2800 " (cutoff:3.500A) removed outlier: 5.573A pdb=" N TYR D2805 " --> pdb=" O ASP D2801 " (cutoff:3.500A) removed outlier: 4.550A pdb=" N TRP D2807 " --> pdb=" O GLU D2803 " (cutoff:3.500A) Proline residue: D2808 - end of helix removed outlier: 4.210A pdb=" N SER D2812 " --> pdb=" O PRO D2808 " (cutoff:3.500A) removed outlier: 3.940A pdb=" N LEU D2813 " --> pdb=" O ILE D2809 " (cutoff:3.500A) Processing helix chain 'D' and resid 2868 through 2896 removed outlier: 4.224A pdb=" N ALA D2873 " --> pdb=" O ARG D2869 " (cutoff:3.500A) removed outlier: 3.611A pdb=" N GLU D2876 " --> pdb=" O GLN D2872 " (cutoff:3.500A) Processing helix chain 'D' and resid 2913 through 2933 removed outlier: 3.977A pdb=" N ARG D2918 " --> pdb=" O LYS D2914 " (cutoff:3.500A) removed outlier: 4.102A pdb=" N GLU D2921 " --> pdb=" O ALA D2917 " (cutoff:3.500A) removed outlier: 4.049A pdb=" N LYS D2922 " --> pdb=" O ARG D2918 " (cutoff:3.500A) removed outlier: 3.759A pdb=" N ALA D2923 " --> pdb=" O ASP D2919 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N MET D2932 " --> pdb=" O LYS D2928 " (cutoff:3.500A) removed outlier: 5.417A pdb=" N ASN D2933 " --> pdb=" O PHE D2929 " (cutoff:3.500A) Processing helix chain 'D' and resid 3625 through 3638 removed outlier: 3.658A pdb=" N ARG D3630 " --> pdb=" O LYS D3626 " (cutoff:3.500A) removed outlier: 3.537A pdb=" N VAL D3633 " --> pdb=" O ARG D3629 " (cutoff:3.500A) removed outlier: 4.809A pdb=" N PHE D3636 " --> pdb=" O VAL D3632 " (cutoff:3.500A) removed outlier: 4.405A pdb=" N ARG D3637 " --> pdb=" O VAL D3633 " (cutoff:3.500A) removed outlier: 3.939A pdb=" N MET D3638 " --> pdb=" O ALA D3634 " (cutoff:3.500A) Processing helix chain 'D' and resid 3640 through 3645 removed outlier: 3.619A pdb=" N LEU D3644 " --> pdb=" O PRO D3640 " (cutoff:3.500A) Proline residue: D3645 - end of helix No H-bonds generated for 'chain 'D' and resid 3640 through 3645' Processing helix chain 'D' and resid 3646 through 3665 removed outlier: 4.952A pdb=" N LEU D3663 " --> pdb=" O ALA D3659 " (cutoff:3.500A) removed outlier: 4.882A pdb=" N THR D3664 " --> pdb=" O ALA D3660 " (cutoff:3.500A) Processing helix chain 'D' and resid 3668 through 3682 removed outlier: 4.294A pdb=" N ARG D3672 " --> pdb=" O SER D3668 " (cutoff:3.500A) removed outlier: 3.768A pdb=" N ILE D3674 " --> pdb=" O GLU D3670 " (cutoff:3.500A) removed outlier: 3.523A pdb=" N ASP D3676 " --> pdb=" O ARG D3672 " (cutoff:3.500A) removed outlier: 4.100A pdb=" N GLY D3681 " --> pdb=" O LEU D3677 " (cutoff:3.500A) removed outlier: 5.119A pdb=" N GLU D3682 " --> pdb=" O SER D3678 " (cutoff:3.500A) Processing helix chain 'D' and resid 3696 through 3711 removed outlier: 3.876A pdb=" N ALA D3709 " --> pdb=" O PHE D3705 " (cutoff:3.500A) removed outlier: 3.831A pdb=" N LEU D3710 " --> pdb=" O SER D3706 " (cutoff:3.500A) removed outlier: 3.902A pdb=" N THR D3711 " --> pdb=" O ARG D3707 " (cutoff:3.500A) Processing helix chain 'D' and resid 3719 through 3735 removed outlier: 3.503A pdb=" N ASP D3727 " --> pdb=" O MET D3723 " (cutoff:3.500A) removed outlier: 3.859A pdb=" N ILE D3728 " --> pdb=" O ALA D3724 " (cutoff:3.500A) removed outlier: 3.845A pdb=" N CYS D3733 " --> pdb=" O MET D3729 " (cutoff:3.500A) removed outlier: 3.931A pdb=" N LEU D3735 " --> pdb=" O LYS D3731 " (cutoff:3.500A) Processing helix chain 'D' and resid 3752 through 3772 removed outlier: 3.856A pdb=" N LYS D3756 " --> pdb=" O SER D3752 " (cutoff:3.500A) removed outlier: 3.738A pdb=" N THR D3772 " --> pdb=" O SER D3768 " (cutoff:3.500A) Processing helix chain 'D' and resid 3774 through 3787 removed outlier: 3.602A pdb=" N MET D3778 " --> pdb=" O GLY D3774 " (cutoff:3.500A) removed outlier: 3.895A pdb=" N LEU D3780 " --> pdb=" O ALA D3776 " (cutoff:3.500A) removed outlier: 3.672A pdb=" N MET D3782 " --> pdb=" O MET D3778 " (cutoff:3.500A) removed outlier: 4.127A pdb=" N LYS D3787 " --> pdb=" O ILE D3783 " (cutoff:3.500A) Processing helix chain 'D' and resid 3791 through 3806 removed outlier: 4.252A pdb=" N SER D3795 " --> pdb=" O GLY D3791 " (cutoff:3.500A) removed outlier: 3.759A pdb=" N SER D3796 " --> pdb=" O ALA D3792 " (cutoff:3.500A) removed outlier: 3.616A pdb=" N LYS D3799 " --> pdb=" O SER D3795 " (cutoff:3.500A) Processing helix chain 'D' and resid 3809 through 3824 removed outlier: 4.193A pdb=" N GLN D3813 " --> pdb=" O ASN D3809 " (cutoff:3.500A) removed outlier: 3.890A pdb=" N TYR D3819 " --> pdb=" O LYS D3815 " (cutoff:3.500A) removed outlier: 3.610A pdb=" N LYS D3824 " --> pdb=" O LEU D3820 " (cutoff:3.500A) Processing helix chain 'D' and resid 3826 through 3839 removed outlier: 6.682A pdb=" N GLN D3830 " --> pdb=" O VAL D3826 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N SER D3831 " --> pdb=" O GLY D3827 " (cutoff:3.500A) removed outlier: 3.535A pdb=" N ILE D3832 " --> pdb=" O PHE D3828 " (cutoff:3.500A) removed outlier: 3.521A pdb=" N THR D3838 " --> pdb=" O ALA D3834 " (cutoff:3.500A) removed outlier: 4.549A pdb=" N CYS D3839 " --> pdb=" O LEU D3835 " (cutoff:3.500A) Processing helix chain 'D' and resid 3843 through 3856 removed outlier: 4.220A pdb=" N PHE D3847 " --> pdb=" O ASP D3843 " (cutoff:3.500A) removed outlier: 5.283A pdb=" N GLU D3848 " --> pdb=" O LEU D3844 " (cutoff:3.500A) removed outlier: 3.989A pdb=" N ARG D3849 " --> pdb=" O ASN D3845 " (cutoff:3.500A) removed outlier: 3.909A pdb=" N GLY D3855 " --> pdb=" O ASN D3851 " (cutoff:3.500A) removed outlier: 4.525A pdb=" N LEU D3856 " --> pdb=" O LYS D3852 " (cutoff:3.500A) Processing helix chain 'D' and resid 3866 through 3871 removed outlier: 4.005A pdb=" N ASN D3870 " --> pdb=" O ILE D3866 " (cutoff:3.500A) Processing helix chain 'D' and resid 3877 through 3893 removed outlier: 3.886A pdb=" N PHE D3885 " --> pdb=" O THR D3881 " (cutoff:3.500A) removed outlier: 4.265A pdb=" N CYS D3892 " --> pdb=" O LEU D3888 " (cutoff:3.500A) Processing helix chain 'D' and resid 3896 through 3905 removed outlier: 4.058A pdb=" N GLN D3900 " --> pdb=" O ASN D3896 " (cutoff:3.500A) removed outlier: 3.567A pdb=" N ARG D3904 " --> pdb=" O GLN D3900 " (cutoff:3.500A) Processing helix chain 'D' and resid 3914 through 3938 removed outlier: 3.655A pdb=" N CYS D3918 " --> pdb=" O ASN D3914 " (cutoff:3.500A) Processing helix chain 'D' and resid 3944 through 3970 removed outlier: 3.651A pdb=" N VAL D3957 " --> pdb=" O LYS D3953 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N GLU D3967 " --> pdb=" O ASN D3963 " (cutoff:3.500A) removed outlier: 3.658A pdb=" N TYR D3968 " --> pdb=" O SER D3964 " (cutoff:3.500A) Processing helix chain 'D' and resid 3973 through 3984 removed outlier: 3.963A pdb=" N GLN D3977 " --> pdb=" O CYS D3973 " (cutoff:3.500A) removed outlier: 5.264A pdb=" N ARG D3984 " --> pdb=" O LEU D3980 " (cutoff:3.500A) Processing helix chain 'D' and resid 3985 through 4004 removed outlier: 3.507A pdb=" N HIS D3998 " --> pdb=" O HIS D3994 " (cutoff:3.500A) removed outlier: 3.948A pdb=" N MET D4001 " --> pdb=" O ALA D3997 " (cutoff:3.500A) Processing helix chain 'D' and resid 4009 through 4032 removed outlier: 3.680A pdb=" N LEU D4013 " --> pdb=" O GLN D4009 " (cutoff:3.500A) removed outlier: 3.613A pdb=" N LEU D4031 " --> pdb=" O LEU D4027 " (cutoff:3.500A) removed outlier: 3.816A pdb=" N GLU D4032 " --> pdb=" O LEU D4028 " (cutoff:3.500A) Processing helix chain 'D' and resid 4038 through 4052 removed outlier: 3.655A pdb=" N ARG D4042 " --> pdb=" O GLY D4038 " (cutoff:3.500A) removed outlier: 3.665A pdb=" N MET D4047 " --> pdb=" O GLN D4043 " (cutoff:3.500A) Processing helix chain 'D' and resid 4053 through 4072 removed outlier: 3.508A pdb=" N MET D4057 " --> pdb=" O SER D4053 " (cutoff:3.500A) removed outlier: 3.754A pdb=" N LEU D4066 " --> pdb=" O PHE D4062 " (cutoff:3.500A) removed outlier: 3.719A pdb=" N LEU D4068 " --> pdb=" O MET D4064 " (cutoff:3.500A) removed outlier: 4.839A pdb=" N LYS D4069 " --> pdb=" O PHE D4065 " (cutoff:3.500A) removed outlier: 4.006A pdb=" N ASP D4070 " --> pdb=" O LEU D4066 " (cutoff:3.500A) Processing helix chain 'D' and resid 4074 through 4082 removed outlier: 3.732A pdb=" N GLN D4078 " --> pdb=" O SER D4074 " (cutoff:3.500A) removed outlier: 3.895A pdb=" N VAL D4081 " --> pdb=" O PHE D4077 " (cutoff:3.500A) removed outlier: 5.558A pdb=" N THR D4082 " --> pdb=" O GLN D4078 " (cutoff:3.500A) Processing helix chain 'D' and resid 4089 through 4101 removed outlier: 3.877A pdb=" N PHE D4093 " --> pdb=" O SER D4089 " (cutoff:3.500A) removed outlier: 3.708A pdb=" N GLN D4100 " --> pdb=" O ALA D4096 " (cutoff:3.500A) removed outlier: 5.393A pdb=" N LYS D4101 " --> pdb=" O MET D4097 " (cutoff:3.500A) Processing helix chain 'D' and resid 4104 through 4116 removed outlier: 3.502A pdb=" N ILE D4108 " --> pdb=" O THR D4104 " (cutoff:3.500A) removed outlier: 4.005A pdb=" N GLN D4109 " --> pdb=" O GLY D4105 " (cutoff:3.500A) removed outlier: 3.559A pdb=" N PHE D4110 " --> pdb=" O PRO D4106 " (cutoff:3.500A) removed outlier: 5.215A pdb=" N GLU D4116 " --> pdb=" O LEU D4112 " (cutoff:3.500A) Processing helix chain 'D' and resid 4124 through 4137 removed outlier: 3.571A pdb=" N ASN D4130 " --> pdb=" O GLU D4126 " (cutoff:3.500A) removed outlier: 4.820A pdb=" N PHE D4132 " --> pdb=" O PHE D4128 " (cutoff:3.500A) removed outlier: 4.280A pdb=" N GLN D4133 " --> pdb=" O ALA D4129 " (cutoff:3.500A) removed outlier: 4.486A pdb=" N GLU D4134 " --> pdb=" O ASN D4130 " (cutoff:3.500A) Proline residue: D4135 - end of helix Processing helix chain 'D' and resid 4138 through 4154 removed outlier: 3.662A pdb=" N ALA D4144 " --> pdb=" O GLY D4140 " (cutoff:3.500A) Processing helix chain 'D' and resid 4157 through 4168 removed outlier: 3.796A pdb=" N GLU D4165 " --> pdb=" O ARG D4161 " (cutoff:3.500A) Processing helix chain 'D' and resid 4169 through 4175 removed outlier: 3.774A pdb=" N PHE D4174 " --> pdb=" O ILE D4170 " (cutoff:3.500A) Processing helix chain 'D' and resid 4198 through 4207 removed outlier: 3.641A pdb=" N ARG D4202 " --> pdb=" O SER D4198 " (cutoff:3.500A) removed outlier: 4.658A pdb=" N MET D4207 " --> pdb=" O ALA D4203 " (cutoff:3.500A) Processing helix chain 'D' and resid 4208 through 4224 removed outlier: 3.793A pdb=" N SER D4213 " --> pdb=" O GLN D4209 " (cutoff:3.500A) removed outlier: 3.535A pdb=" N PHE D4219 " --> pdb=" O ARG D4215 " (cutoff:3.500A) removed outlier: 3.504A pdb=" N VAL D4221 " --> pdb=" O PHE D4217 " (cutoff:3.500A) removed outlier: 3.558A pdb=" N VAL D4222 " --> pdb=" O ILE D4218 " (cutoff:3.500A) removed outlier: 4.073A pdb=" N GLU D4224 " --> pdb=" O ASP D4220 " (cutoff:3.500A) Processing helix chain 'D' and resid 4227 through 4252 removed outlier: 4.943A pdb=" N MET D4231 " --> pdb=" O GLU D4227 " (cutoff:3.500A) removed outlier: 4.462A pdb=" N GLU D4232 " --> pdb=" O ALA D4228 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N ASP D4240 " --> pdb=" O SER D4236 " (cutoff:3.500A) Processing helix chain 'D' and resid 4541 through 4559 removed outlier: 3.848A pdb=" N ASN D4558 " --> pdb=" O TYR D4554 " (cutoff:3.500A) Processing helix chain 'D' and resid 4560 through 4579 removed outlier: 3.607A pdb=" N ASN D4574 " --> pdb=" O ALA D4570 " (cutoff:3.500A) removed outlier: 3.520A pdb=" N LEU D4577 " --> pdb=" O ILE D4573 " (cutoff:3.500A) removed outlier: 4.114A pdb=" N LEU D4578 " --> pdb=" O ASN D4574 " (cutoff:3.500A) removed outlier: 5.148A pdb=" N PHE D4579 " --> pdb=" O PHE D4575 " (cutoff:3.500A) Processing helix chain 'D' and resid 4639 through 4683 removed outlier: 3.747A pdb=" N LEU D4648 " --> pdb=" O TRP D4644 " (cutoff:3.500A) removed outlier: 3.540A pdb=" N LYS D4665 " --> pdb=" O TYR D4661 " (cutoff:3.500A) removed outlier: 5.470A pdb=" N VAL D4666 " --> pdb=" O ASN D4662 " (cutoff:3.500A) Proline residue: D4667 - end of helix removed outlier: 3.567A pdb=" N ILE D4670 " --> pdb=" O VAL D4666 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N ARG D4673 " --> pdb=" O VAL D4669 " (cutoff:3.500A) removed outlier: 3.560A pdb=" N ALA D4678 " --> pdb=" O GLU D4674 " (cutoff:3.500A) Processing helix chain 'D' and resid 4696 through 4709 removed outlier: 3.931A pdb=" N GLN D4700 " --> pdb=" O ASP D4696 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N ASP D4702 " --> pdb=" O LYS D4698 " (cutoff:3.500A) removed outlier: 4.121A pdb=" N ARG D4703 " --> pdb=" O GLY D4699 " (cutoff:3.500A) removed outlier: 4.799A pdb=" N LEU D4704 " --> pdb=" O GLN D4700 " (cutoff:3.500A) removed outlier: 5.008A pdb=" N VAL D4705 " --> pdb=" O TRP D4701 " (cutoff:3.500A) removed outlier: 4.237A pdb=" N LEU D4706 " --> pdb=" O ASP D4702 " (cutoff:3.500A) removed outlier: 4.803A pdb=" N ASN D4707 " --> pdb=" O ARG D4703 " (cutoff:3.500A) removed outlier: 4.975A pdb=" N THR D4708 " --> pdb=" O LEU D4704 " (cutoff:3.500A) Proline residue: D4709 - end of helix Processing helix chain 'D' and resid 4719 through 4729 Processing helix chain 'D' and resid 4733 through 4742 Processing helix chain 'D' and resid 4745 through 4756 removed outlier: 3.930A pdb=" N ILE D4750 " --> pdb=" O ALA D4746 " (cutoff:3.500A) removed outlier: 4.700A pdb=" N THR D4751 " --> pdb=" O SER D4747 " (cutoff:3.500A) Processing helix chain 'D' and resid 4766 through 4772 removed outlier: 5.530A pdb=" N ASP D4772 " --> pdb=" O LEU D4768 " (cutoff:3.500A) Processing helix chain 'D' and resid 4773 through 4787 removed outlier: 3.887A pdb=" N PHE D4784 " --> pdb=" O PHE D4780 " (cutoff:3.500A) removed outlier: 5.682A pdb=" N ASN D4787 " --> pdb=" O ILE D4783 " (cutoff:3.500A) Processing helix chain 'D' and resid 4788 through 4805 removed outlier: 4.116A pdb=" N HIS D4803 " --> pdb=" O SER D4799 " (cutoff:3.500A) removed outlier: 4.415A pdb=" N TYR D4804 " --> pdb=" O LEU D4800 " (cutoff:3.500A) Processing helix chain 'D' and resid 4806 through 4819 removed outlier: 5.070A pdb=" N ALA D4810 " --> pdb=" O ASN D4806 " (cutoff:3.500A) removed outlier: 5.381A pdb=" N ALA D4811 " --> pdb=" O PHE D4807 " (cutoff:3.500A) removed outlier: 5.189A pdb=" N HIS D4812 " --> pdb=" O PHE D4808 " (cutoff:3.500A) removed outlier: 4.559A pdb=" N LEU D4813 " --> pdb=" O PHE D4809 " (cutoff:3.500A) removed outlier: 4.388A pdb=" N LEU D4814 " --> pdb=" O ALA D4810 " (cutoff:3.500A) removed outlier: 4.485A pdb=" N ASP D4815 " --> pdb=" O ALA D4811 " (cutoff:3.500A) removed outlier: 5.088A pdb=" N ILE D4816 " --> pdb=" O HIS D4812 " (cutoff:3.500A) removed outlier: 5.084A pdb=" N ALA D4817 " --> pdb=" O LEU D4813 " (cutoff:3.500A) removed outlier: 3.838A pdb=" N MET D4818 " --> pdb=" O LEU D4814 " (cutoff:3.500A) Processing helix chain 'D' and resid 4821 through 4832 removed outlier: 3.687A pdb=" N THR D4825 " --> pdb=" O LYS D4821 " (cutoff:3.500A) removed outlier: 4.180A pdb=" N ILE D4826 " --> pdb=" O THR D4822 " (cutoff:3.500A) removed outlier: 3.724A pdb=" N LEU D4827 " --> pdb=" O LEU D4823 " (cutoff:3.500A) removed outlier: 4.131A pdb=" N VAL D4830 " --> pdb=" O ILE D4826 " (cutoff:3.500A) removed outlier: 4.194A pdb=" N THR D4831 " --> pdb=" O LEU D4827 " (cutoff:3.500A) Processing helix chain 'D' and resid 4833 through 4858 removed outlier: 3.673A pdb=" N MET D4839 " --> pdb=" O LYS D4835 " (cutoff:3.500A) removed outlier: 3.537A pdb=" N THR D4840 " --> pdb=" O GLN D4836 " (cutoff:3.500A) removed outlier: 3.825A pdb=" N VAL D4854 " --> pdb=" O LEU D4850 " (cutoff:3.500A) Processing helix chain 'D' and resid 4878 through 4893 removed outlier: 4.848A pdb=" N VAL D4891 " --> pdb=" O MET D4887 " (cutoff:3.500A) removed outlier: 4.527A pdb=" N ARG D4892 " --> pdb=" O TYR D4888 " (cutoff:3.500A) Processing helix chain 'D' and resid 4897 through 4902 removed outlier: 4.003A pdb=" N ILE D4901 " --> pdb=" O ILE D4897 " (cutoff:3.500A) removed outlier: 5.338A pdb=" N GLU D4902 " --> pdb=" O GLY D4898 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 4897 through 4902' Processing helix chain 'D' and resid 4909 through 4925 removed outlier: 3.647A pdb=" N ARG D4913 " --> pdb=" O TYR D4909 " (cutoff:3.500A) removed outlier: 3.694A pdb=" N VAL D4914 " --> pdb=" O GLU D4910 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N VAL D4915 " --> pdb=" O LEU D4911 " (cutoff:3.500A) removed outlier: 4.136A pdb=" N ILE D4918 " --> pdb=" O VAL D4914 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N PHE D4923 " --> pdb=" O THR D4919 " (cutoff:3.500A) removed outlier: 3.844A pdb=" N ILE D4925 " --> pdb=" O PHE D4921 " (cutoff:3.500A) Processing helix chain 'D' and resid 4928 through 4957 removed outlier: 3.541A pdb=" N GLN D4933 " --> pdb=" O LEU D4929 " (cutoff:3.500A) removed outlier: 3.583A pdb=" N ILE D4937 " --> pdb=" O GLN D4933 " (cutoff:3.500A) removed outlier: 4.581A pdb=" N ASP D4938 " --> pdb=" O GLY D4934 " (cutoff:3.500A) removed outlier: 3.531A pdb=" N ALA D4939 " --> pdb=" O LEU D4935 " (cutoff:3.500A) removed outlier: 3.902A pdb=" N LYS D4951 " --> pdb=" O GLN D4947 " (cutoff:3.500A) Processing helix chain 'D' and resid 4964 through 4970 removed outlier: 4.444A pdb=" N PHE D4968 " --> pdb=" O GLY D4964 " (cutoff:3.500A) removed outlier: 3.963A pdb=" N ASP D4969 " --> pdb=" O SER D4965 " (cutoff:3.500A) removed outlier: 5.263A pdb=" N THR D4970 " --> pdb=" O ASP D4966 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 4964 through 4970' Processing helix chain 'D' and resid 4973 through 4981 removed outlier: 3.547A pdb=" N GLU D4981 " --> pdb=" O THR D4977 " (cutoff:3.500A) Processing helix chain 'D' and resid 4984 through 4999 removed outlier: 3.571A pdb=" N MET D4989 " --> pdb=" O LEU D4985 " (cutoff:3.500A) removed outlier: 3.537A pdb=" N LEU D4992 " --> pdb=" O TYR D4988 " (cutoff:3.500A) removed outlier: 5.770A pdb=" N ASP D4999 " --> pdb=" O LEU D4995 " (cutoff:3.500A) Processing helix chain 'D' and resid 5004 through 5017 removed outlier: 3.776A pdb=" N GLU D5016 " --> pdb=" O LYS D5012 " (cutoff:3.500A) Processing helix chain 'D' and resid 502 through 507 removed outlier: 4.181A pdb=" N TYR D 506 " --> pdb=" O PHE D 503 " (cutoff:3.500A) removed outlier: 3.759A pdb=" N ALA D 507 " --> pdb=" O ALA D 504 " (cutoff:3.500A) Processing helix chain 'D' and resid 810 through 815 removed outlier: 3.536A pdb=" N GLU D 813 " --> pdb=" O PRO D 810 " (cutoff:3.500A) removed outlier: 3.833A pdb=" N ALA D 814 " --> pdb=" O CYS D 811 " (cutoff:3.500A) removed outlier: 4.129A pdb=" N VAL D 815 " --> pdb=" O HIS D 812 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 810 through 815' Processing helix chain 'D' and resid 4685 through 4690 removed outlier: 3.748A pdb=" N GLU D4690 " --> pdb=" O GLY D4685 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 4685 through 4690' Processing helix chain 'G' and resid 61 through 66 removed outlier: 4.788A pdb=" N CYS G 65 " --> pdb=" O ASP G 61 " (cutoff:3.500A) removed outlier: 3.759A pdb=" N CYS G 66 " --> pdb=" O LEU G 62 " (cutoff:3.500A) No H-bonds generated for 'chain 'G' and resid 61 through 66' Processing helix chain 'G' and resid 74 through 84 removed outlier: 3.577A pdb=" N GLU G 80 " --> pdb=" O ARG G 76 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N MET G 81 " --> pdb=" O ALA G 77 " (cutoff:3.500A) Processing helix chain 'G' and resid 142 through 147 removed outlier: 4.129A pdb=" N CYS G 146 " --> pdb=" O THR G 142 " (cutoff:3.500A) removed outlier: 4.604A pdb=" N TRP G 147 " --> pdb=" O GLY G 143 " (cutoff:3.500A) No H-bonds generated for 'chain 'G' and resid 142 through 147' Processing helix chain 'G' and resid 249 through 256 removed outlier: 3.818A pdb=" N HIS G 255 " --> pdb=" O ALA G 251 " (cutoff:3.500A) removed outlier: 4.864A pdb=" N ALA G 256 " --> pdb=" O VAL G 252 " (cutoff:3.500A) Processing helix chain 'G' and resid 394 through 423 removed outlier: 3.633A pdb=" N SER G 398 " --> pdb=" O GLN G 394 " (cutoff:3.500A) removed outlier: 3.768A pdb=" N ALA G 400 " --> pdb=" O GLU G 396 " (cutoff:3.500A) removed outlier: 3.668A pdb=" N LEU G 410 " --> pdb=" O SER G 406 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N GLN G 413 " --> pdb=" O GLY G 409 " (cutoff:3.500A) removed outlier: 4.237A pdb=" N PHE G 421 " --> pdb=" O GLY G 417 " (cutoff:3.500A) removed outlier: 4.933A pdb=" N GLY G 423 " --> pdb=" O ASP G 419 " (cutoff:3.500A) Processing helix chain 'G' and resid 437 through 453 removed outlier: 3.760A pdb=" N LEU G 443 " --> pdb=" O GLU G 439 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N SER G 444 " --> pdb=" O ALA G 440 " (cutoff:3.500A) removed outlier: 3.620A pdb=" N LEU G 445 " --> pdb=" O VAL G 441 " (cutoff:3.500A) Processing helix chain 'G' and resid 460 through 482 removed outlier: 4.170A pdb=" N SER G 466 " --> pdb=" O GLU G 462 " (cutoff:3.500A) removed outlier: 3.541A pdb=" N PHE G 478 " --> pdb=" O ARG G 474 " (cutoff:3.500A) removed outlier: 3.860A pdb=" N GLU G 481 " --> pdb=" O LEU G 477 " (cutoff:3.500A) removed outlier: 4.037A pdb=" N GLY G 482 " --> pdb=" O PHE G 478 " (cutoff:3.500A) Processing helix chain 'G' and resid 483 through 498 removed outlier: 4.881A pdb=" N VAL G 487 " --> pdb=" O MET G 483 " (cutoff:3.500A) removed outlier: 4.673A pdb=" N VAL G 496 " --> pdb=" O ASP G 492 " (cutoff:3.500A) removed outlier: 5.191A pdb=" N TYR G 497 " --> pdb=" O ARG G 493 " (cutoff:3.500A) removed outlier: 5.446A pdb=" N THR G 498 " --> pdb=" O LEU G 494 " (cutoff:3.500A) Processing helix chain 'G' and resid 508 through 531 removed outlier: 4.534A pdb=" N LYS G 516 " --> pdb=" O ALA G 512 " (cutoff:3.500A) removed outlier: 5.021A pdb=" N GLU G 517 " --> pdb=" O GLU G 513 " (cutoff:3.500A) removed outlier: 3.708A pdb=" N ILE G 518 " --> pdb=" O SER G 514 " (cutoff:3.500A) removed outlier: 4.032A pdb=" N VAL G 519 " --> pdb=" O TRP G 515 " (cutoff:3.500A) removed outlier: 3.953A pdb=" N ARG G 531 " --> pdb=" O ALA G 527 " (cutoff:3.500A) Processing helix chain 'G' and resid 533 through 541 removed outlier: 3.974A pdb=" N LEU G 539 " --> pdb=" O ALA G 535 " (cutoff:3.500A) removed outlier: 4.159A pdb=" N PHE G 540 " --> pdb=" O ASN G 536 " (cutoff:3.500A) removed outlier: 4.505A pdb=" N SER G 541 " --> pdb=" O CYS G 537 " (cutoff:3.500A) Processing helix chain 'G' and resid 543 through 551 removed outlier: 3.897A pdb=" N VAL G 547 " --> pdb=" O ASN G 543 " (cutoff:3.500A) removed outlier: 4.533A pdb=" N LYS G 550 " --> pdb=" O TRP G 546 " (cutoff:3.500A) removed outlier: 4.087A pdb=" N LEU G 551 " --> pdb=" O VAL G 547 " (cutoff:3.500A) Processing helix chain 'G' and resid 556 through 571 removed outlier: 3.633A pdb=" N LEU G 561 " --> pdb=" O SER G 557 " (cutoff:3.500A) removed outlier: 3.576A pdb=" N ILE G 569 " --> pdb=" O TYR G 565 " (cutoff:3.500A) removed outlier: 4.223A pdb=" N GLU G 570 " --> pdb=" O CYS G 566 " (cutoff:3.500A) removed outlier: 4.090A pdb=" N SER G 571 " --> pdb=" O VAL G 567 " (cutoff:3.500A) Processing helix chain 'G' and resid 572 through 578 removed outlier: 4.053A pdb=" N ASN G 576 " --> pdb=" O PRO G 572 " (cutoff:3.500A) removed outlier: 4.248A pdb=" N ILE G 577 " --> pdb=" O GLU G 573 " (cutoff:3.500A) removed outlier: 3.936A pdb=" N ILE G 578 " --> pdb=" O VAL G 574 " (cutoff:3.500A) No H-bonds generated for 'chain 'G' and resid 572 through 578' Processing helix chain 'G' and resid 579 through 594 removed outlier: 3.761A pdb=" N ILE G 583 " --> pdb=" O GLN G 579 " (cutoff:3.500A) removed outlier: 3.542A pdb=" N ILE G 586 " --> pdb=" O HIS G 582 " (cutoff:3.500A) removed outlier: 3.760A pdb=" N GLY G 594 " --> pdb=" O LEU G 590 " (cutoff:3.500A) Processing helix chain 'G' and resid 596 through 609 removed outlier: 4.103A pdb=" N LEU G 600 " --> pdb=" O ASN G 596 " (cutoff:3.500A) removed outlier: 3.526A pdb=" N LEU G 603 " --> pdb=" O VAL G 599 " (cutoff:3.500A) removed outlier: 3.819A pdb=" N CYS G 607 " --> pdb=" O LEU G 603 " (cutoff:3.500A) removed outlier: 4.388A pdb=" N VAL G 608 " --> pdb=" O CYS G 604 " (cutoff:3.500A) removed outlier: 5.559A pdb=" N CYS G 609 " --> pdb=" O SER G 605 " (cutoff:3.500A) Processing helix chain 'G' and resid 614 through 629 removed outlier: 4.099A pdb=" N ASP G 619 " --> pdb=" O ARG G 615 " (cutoff:3.500A) removed outlier: 4.793A pdb=" N LEU G 620 " --> pdb=" O SER G 616 " (cutoff:3.500A) removed outlier: 3.842A pdb=" N ILE G 621 " --> pdb=" O ASN G 617 " (cutoff:3.500A) removed outlier: 3.840A pdb=" N THR G 622 " --> pdb=" O GLN G 618 " (cutoff:3.500A) removed outlier: 3.986A pdb=" N LEU G 626 " --> pdb=" O THR G 622 " (cutoff:3.500A) Proline residue: G 627 - end of helix Processing helix chain 'G' and resid 864 through 890 removed outlier: 3.864A pdb=" N ARG G 869 " --> pdb=" O PRO G 865 " (cutoff:3.500A) removed outlier: 4.716A pdb=" N ILE G 870 " --> pdb=" O HIS G 866 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N ARG G 871 " --> pdb=" O LEU G 867 " (cutoff:3.500A) removed outlier: 4.477A pdb=" N GLU G 872 " --> pdb=" O GLU G 868 " (cutoff:3.500A) removed outlier: 3.925A pdb=" N LYS G 873 " --> pdb=" O ARG G 869 " (cutoff:3.500A) Processing helix chain 'G' and resid 909 through 914 Proline residue: G 914 - end of helix Processing helix chain 'G' and resid 915 through 936 removed outlier: 3.503A pdb=" N TYR G 920 " --> pdb=" O PRO G 916 " (cutoff:3.500A) removed outlier: 3.538A pdb=" N LYS G 930 " --> pdb=" O GLY G 926 " (cutoff:3.500A) removed outlier: 3.667A pdb=" N LEU G 933 " --> pdb=" O LEU G 929 " (cutoff:3.500A) removed outlier: 3.639A pdb=" N ALA G 934 " --> pdb=" O LYS G 930 " (cutoff:3.500A) removed outlier: 3.546A pdb=" N LEU G 935 " --> pdb=" O THR G 931 " (cutoff:3.500A) removed outlier: 4.296A pdb=" N GLY G 936 " --> pdb=" O LEU G 932 " (cutoff:3.500A) Processing helix chain 'G' and resid 943 through 951 removed outlier: 5.417A pdb=" N LYS G 951 " --> pdb=" O GLU G 947 " (cutoff:3.500A) Processing helix chain 'G' and resid 978 through 1004 Processing helix chain 'G' and resid 1028 through 1050 removed outlier: 3.807A pdb=" N GLN G1041 " --> pdb=" O ASP G1037 " (cutoff:3.500A) removed outlier: 4.228A pdb=" N ALA G1042 " --> pdb=" O SER G1038 " (cutoff:3.500A) removed outlier: 3.646A pdb=" N ARG G1044 " --> pdb=" O CYS G1040 " (cutoff:3.500A) removed outlier: 3.651A pdb=" N THR G1045 " --> pdb=" O GLN G1041 " (cutoff:3.500A) removed outlier: 3.983A pdb=" N GLY G1050 " --> pdb=" O LEU G1046 " (cutoff:3.500A) Processing helix chain 'G' and resid 1207 through 1212 removed outlier: 3.660A pdb=" N LEU G1211 " --> pdb=" O ASP G1207 " (cutoff:3.500A) removed outlier: 5.572A pdb=" N ARG G1212 " --> pdb=" O VAL G1208 " (cutoff:3.500A) No H-bonds generated for 'chain 'G' and resid 1207 through 1212' Processing helix chain 'G' and resid 1423 through 1430 removed outlier: 3.518A pdb=" N LEU G1428 " --> pdb=" O PRO G1424 " (cutoff:3.500A) removed outlier: 3.597A pdb=" N ASN G1429 " --> pdb=" O GLU G1425 " (cutoff:3.500A) removed outlier: 3.526A pdb=" N THR G1430 " --> pdb=" O ILE G1426 " (cutoff:3.500A) Processing helix chain 'G' and resid 1444 through 1449 removed outlier: 4.488A pdb=" N VAL G1448 " --> pdb=" O GLU G1444 " (cutoff:3.500A) removed outlier: 5.835A pdb=" N TRP G1449 " --> pdb=" O PRO G1445 " (cutoff:3.500A) No H-bonds generated for 'chain 'G' and resid 1444 through 1449' Processing helix chain 'G' and resid 1496 through 1501 removed outlier: 4.251A pdb=" N PHE G1500 " --> pdb=" O TRP G1496 " (cutoff:3.500A) removed outlier: 3.730A pdb=" N VAL G1501 " --> pdb=" O GLY G1497 " (cutoff:3.500A) No H-bonds generated for 'chain 'G' and resid 1496 through 1501' Processing helix chain 'G' and resid 1574 through 1580 removed outlier: 4.519A pdb=" N ALA G1578 " --> pdb=" O PRO G1574 " (cutoff:3.500A) removed outlier: 3.540A pdb=" N MET G1579 " --> pdb=" O LEU G1575 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N PHE G1580 " --> pdb=" O SER G1576 " (cutoff:3.500A) No H-bonds generated for 'chain 'G' and resid 1574 through 1580' Processing helix chain 'G' and resid 1649 through 1657 removed outlier: 4.269A pdb=" N LEU G1653 " --> pdb=" O ASP G1649 " (cutoff:3.500A) removed outlier: 5.014A pdb=" N SER G1654 " --> pdb=" O ILE G1650 " (cutoff:3.500A) removed outlier: 5.058A pdb=" N GLU G1655 " --> pdb=" O LEU G1651 " (cutoff:3.500A) Processing helix chain 'G' and resid 1658 through 1675 removed outlier: 4.218A pdb=" N CYS G1674 " --> pdb=" O TYR G1670 " (cutoff:3.500A) removed outlier: 3.526A pdb=" N ALA G1675 " --> pdb=" O ARG G1671 " (cutoff:3.500A) Processing helix chain 'G' and resid 1678 through 1689 removed outlier: 3.531A pdb=" N ALA G1682 " --> pdb=" O ASN G1678 " (cutoff:3.500A) removed outlier: 3.520A pdb=" N ALA G1684 " --> pdb=" O ARG G1680 " (cutoff:3.500A) removed outlier: 3.765A pdb=" N SER G1687 " --> pdb=" O HIS G1683 " (cutoff:3.500A) removed outlier: 4.437A pdb=" N HIS G1688 " --> pdb=" O ALA G1684 " (cutoff:3.500A) Processing helix chain 'G' and resid 1690 through 1701 removed outlier: 3.538A pdb=" N ALA G1697 " --> pdb=" O GLN G1693 " (cutoff:3.500A) removed outlier: 3.638A pdb=" N LEU G1698 " --> pdb=" O LEU G1694 " (cutoff:3.500A) removed outlier: 4.221A pdb=" N GLU G1699 " --> pdb=" O LEU G1695 " (cutoff:3.500A) removed outlier: 3.508A pdb=" N ASP G1700 " --> pdb=" O HIS G1696 " (cutoff:3.500A) removed outlier: 6.282A pdb=" N ALA G1701 " --> pdb=" O ALA G1697 " (cutoff:3.500A) Processing helix chain 'G' and resid 1704 through 1719 removed outlier: 3.515A pdb=" N TYR G1712 " --> pdb=" O ARG G1708 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N ILE G1716 " --> pdb=" O TYR G1712 " (cutoff:3.500A) Processing helix chain 'G' and resid 1720 through 1732 removed outlier: 4.316A pdb=" N CYS G1724 " --> pdb=" O LEU G1720 " (cutoff:3.500A) removed outlier: 3.836A pdb=" N SER G1726 " --> pdb=" O SER G1722 " (cutoff:3.500A) removed outlier: 3.507A pdb=" N ARG G1727 " --> pdb=" O ALA G1723 " (cutoff:3.500A) removed outlier: 4.302A pdb=" N SER G1732 " --> pdb=" O ARG G1728 " (cutoff:3.500A) Processing helix chain 'G' and resid 1739 through 1745 removed outlier: 3.829A pdb=" N ARG G1743 " --> pdb=" O THR G1739 " (cutoff:3.500A) removed outlier: 4.199A pdb=" N ALA G1744 " --> pdb=" O PRO G1740 " (cutoff:3.500A) removed outlier: 5.145A pdb=" N ILE G1745 " --> pdb=" O GLU G1741 " (cutoff:3.500A) No H-bonds generated for 'chain 'G' and resid 1739 through 1745' Processing helix chain 'G' and resid 1803 through 1825 removed outlier: 3.544A pdb=" N LEU G1807 " --> pdb=" O PRO G1803 " (cutoff:3.500A) removed outlier: 3.990A pdb=" N ASP G1809 " --> pdb=" O GLU G1805 " (cutoff:3.500A) removed outlier: 3.718A pdb=" N ARG G1820 " --> pdb=" O GLY G1816 " (cutoff:3.500A) removed outlier: 4.000A pdb=" N GLY G1823 " --> pdb=" O VAL G1819 " (cutoff:3.500A) removed outlier: 4.360A pdb=" N GLN G1824 " --> pdb=" O ARG G1820 " (cutoff:3.500A) removed outlier: 4.085A pdb=" N HIS G1825 " --> pdb=" O ASP G1821 " (cutoff:3.500A) Processing helix chain 'G' and resid 1833 through 1852 Proline residue: G1840 - end of helix removed outlier: 3.517A pdb=" N LEU G1844 " --> pdb=" O PRO G1840 " (cutoff:3.500A) Processing helix chain 'G' and resid 1855 through 1867 Processing helix chain 'G' and resid 1925 through 1930 removed outlier: 3.613A pdb=" N MET G1929 " --> pdb=" O GLY G1925 " (cutoff:3.500A) removed outlier: 5.646A pdb=" N LYS G1930 " --> pdb=" O LEU G1926 " (cutoff:3.500A) No H-bonds generated for 'chain 'G' and resid 1925 through 1930' Processing helix chain 'G' and resid 1933 through 1981 removed outlier: 3.528A pdb=" N GLN G1938 " --> pdb=" O SER G1934 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N ASN G1941 " --> pdb=" O LEU G1937 " (cutoff:3.500A) removed outlier: 3.646A pdb=" N TYR G1945 " --> pdb=" O ASN G1941 " (cutoff:3.500A) removed outlier: 3.694A pdb=" N PHE G1946 " --> pdb=" O LEU G1942 " (cutoff:3.500A) removed outlier: 3.759A pdb=" N ASP G1967 " --> pdb=" O GLU G1963 " (cutoff:3.500A) removed outlier: 4.495A pdb=" N LYS G1968 " --> pdb=" O ARG G1964 " (cutoff:3.500A) removed outlier: 3.871A pdb=" N ALA G1971 " --> pdb=" O ASP G1967 " (cutoff:3.500A) Processing helix chain 'G' and resid 1987 through 1998 removed outlier: 3.838A pdb=" N THR G1991 " --> pdb=" O SER G1987 " (cutoff:3.500A) removed outlier: 3.972A pdb=" N ALA G1992 " --> pdb=" O ALA G1988 " (cutoff:3.500A) removed outlier: 5.558A pdb=" N ARG G1996 " --> pdb=" O ALA G1992 " (cutoff:3.500A) removed outlier: 4.555A pdb=" N GLU G1997 " --> pdb=" O ARG G1993 " (cutoff:3.500A) removed outlier: 3.610A pdb=" N PHE G1998 " --> pdb=" O ARG G1994 " (cutoff:3.500A) Processing helix chain 'G' and resid 2001 through 2011 removed outlier: 3.733A pdb=" N ILE G2006 " --> pdb=" O PRO G2002 " (cutoff:3.500A) removed outlier: 4.380A pdb=" N HIS G2011 " --> pdb=" O ASN G2007 " (cutoff:3.500A) Processing helix chain 'G' and resid 2024 through 2043 removed outlier: 3.874A pdb=" N ARG G2028 " --> pdb=" O PRO G2024 " (cutoff:3.500A) removed outlier: 4.692A pdb=" N GLN G2029 " --> pdb=" O GLU G2025 " (cutoff:3.500A) removed outlier: 4.910A pdb=" N ASP G2030 " --> pdb=" O ASP G2026 " (cutoff:3.500A) removed outlier: 5.163A pdb=" N LEU G2031 " --> pdb=" O ILE G2027 " (cutoff:3.500A) removed outlier: 3.921A pdb=" N GLN G2032 " --> pdb=" O ARG G2028 " (cutoff:3.500A) removed outlier: 4.315A pdb=" N GLY G2043 " --> pdb=" O LEU G2039 " (cutoff:3.500A) Processing helix chain 'G' and resid 2093 through 2109 removed outlier: 3.536A pdb=" N HIS G2100 " --> pdb=" O GLU G2096 " (cutoff:3.500A) removed outlier: 4.307A pdb=" N ASP G2109 " --> pdb=" O TRP G2105 " (cutoff:3.500A) Processing helix chain 'G' and resid 2113 through 2130 removed outlier: 3.551A pdb=" N VAL G2117 " --> pdb=" O SER G2113 " (cutoff:3.500A) removed outlier: 4.077A pdb=" N GLY G2130 " --> pdb=" O ARG G2126 " (cutoff:3.500A) Processing helix chain 'G' and resid 2131 through 2142 Proline residue: G2139 - end of helix removed outlier: 5.251A pdb=" N TYR G2142 " --> pdb=" O LEU G2138 " (cutoff:3.500A) Processing helix chain 'G' and resid 2145 through 2169 removed outlier: 4.291A pdb=" N VAL G2149 " --> pdb=" O SER G2145 " (cutoff:3.500A) removed outlier: 5.626A pdb=" N GLU G2150 " --> pdb=" O PRO G2146 " (cutoff:3.500A) removed outlier: 6.027A pdb=" N ASP G2151 " --> pdb=" O SER G2147 " (cutoff:3.500A) removed outlier: 4.278A pdb=" N SER G2154 " --> pdb=" O GLU G2150 " (cutoff:3.500A) removed outlier: 3.560A pdb=" N ILE G2162 " --> pdb=" O CYS G2158 " (cutoff:3.500A) removed outlier: 4.080A pdb=" N ILE G2167 " --> pdb=" O ARG G2163 " (cutoff:3.500A) removed outlier: 4.632A pdb=" N VAL G2168 " --> pdb=" O SER G2164 " (cutoff:3.500A) removed outlier: 5.311A pdb=" N GLN G2169 " --> pdb=" O LEU G2165 " (cutoff:3.500A) Processing helix chain 'G' and resid 2171 through 2189 removed outlier: 3.647A pdb=" N GLU G2175 " --> pdb=" O GLY G2171 " (cutoff:3.500A) removed outlier: 4.766A pdb=" N ASN G2176 " --> pdb=" O PRO G2172 " (cutoff:3.500A) removed outlier: 3.565A pdb=" N LEU G2177 " --> pdb=" O GLN G2173 " (cutoff:3.500A) removed outlier: 4.586A pdb=" N ASN G2187 " --> pdb=" O GLY G2183 " (cutoff:3.500A) removed outlier: 3.580A pdb=" N ASN G2188 " --> pdb=" O ASN G2184 " (cutoff:3.500A) removed outlier: 5.246A pdb=" N LYS G2189 " --> pdb=" O ILE G2185 " (cutoff:3.500A) Processing helix chain 'G' and resid 2190 through 2195 Proline residue: G2195 - end of helix Processing helix chain 'G' and resid 2196 through 2202 removed outlier: 3.815A pdb=" N GLY G2202 " --> pdb=" O MET G2198 " (cutoff:3.500A) Processing helix chain 'G' and resid 2203 through 2216 removed outlier: 3.859A pdb=" N VAL G2210 " --> pdb=" O THR G2206 " (cutoff:3.500A) Processing helix chain 'G' and resid 2225 through 2244 removed outlier: 3.715A pdb=" N SER G2231 " --> pdb=" O LYS G2227 " (cutoff:3.500A) removed outlier: 3.935A pdb=" N ARG G2241 " --> pdb=" O CYS G2237 " (cutoff:3.500A) removed outlier: 3.954A pdb=" N ILE G2242 " --> pdb=" O TYR G2238 " (cutoff:3.500A) removed outlier: 4.635A pdb=" N SER G2243 " --> pdb=" O PHE G2239 " (cutoff:3.500A) removed outlier: 5.565A pdb=" N ARG G2244 " --> pdb=" O CYS G2240 " (cutoff:3.500A) Processing helix chain 'G' and resid 2245 through 2255 removed outlier: 3.618A pdb=" N SER G2249 " --> pdb=" O GLN G2245 " (cutoff:3.500A) removed outlier: 3.854A pdb=" N MET G2250 " --> pdb=" O ASN G2246 " (cutoff:3.500A) removed outlier: 3.890A pdb=" N ASP G2252 " --> pdb=" O ARG G2248 " (cutoff:3.500A) removed outlier: 4.679A pdb=" N HIS G2253 " --> pdb=" O SER G2249 " (cutoff:3.500A) removed outlier: 4.040A pdb=" N LEU G2254 " --> pdb=" O MET G2250 " (cutoff:3.500A) removed outlier: 5.517A pdb=" N SER G2255 " --> pdb=" O PHE G2251 " (cutoff:3.500A) Processing helix chain 'G' and resid 2256 through 2262 removed outlier: 3.606A pdb=" N ASN G2260 " --> pdb=" O TYR G2256 " (cutoff:3.500A) removed outlier: 4.363A pdb=" N SER G2261 " --> pdb=" O LEU G2257 " (cutoff:3.500A) removed outlier: 5.152A pdb=" N GLY G2262 " --> pdb=" O LEU G2258 " (cutoff:3.500A) No H-bonds generated for 'chain 'G' and resid 2256 through 2262' Processing helix chain 'G' and resid 2271 through 2281 removed outlier: 3.940A pdb=" N VAL G2275 " --> pdb=" O THR G2271 " (cutoff:3.500A) removed outlier: 4.023A pdb=" N VAL G2280 " --> pdb=" O ALA G2276 " (cutoff:3.500A) removed outlier: 3.601A pdb=" N ILE G2281 " --> pdb=" O ALA G2277 " (cutoff:3.500A) Processing helix chain 'G' and resid 2283 through 2290 Processing helix chain 'G' and resid 2291 through 2308 removed outlier: 4.180A pdb=" N LEU G2295 " --> pdb=" O GLN G2291 " (cutoff:3.500A) removed outlier: 4.032A pdb=" N LYS G2297 " --> pdb=" O GLN G2293 " (cutoff:3.500A) removed outlier: 4.092A pdb=" N VAL G2298 " --> pdb=" O ASP G2294 " (cutoff:3.500A) removed outlier: 3.575A pdb=" N VAL G2299 " --> pdb=" O LEU G2295 " (cutoff:3.500A) removed outlier: 3.543A pdb=" N CYS G2305 " --> pdb=" O TYR G2301 " (cutoff:3.500A) removed outlier: 3.859A pdb=" N GLY G2306 " --> pdb=" O LEU G2302 " (cutoff:3.500A) removed outlier: 4.554A pdb=" N LEU G2307 " --> pdb=" O ALA G2303 " (cutoff:3.500A) removed outlier: 3.612A pdb=" N GLN G2308 " --> pdb=" O GLY G2304 " (cutoff:3.500A) Processing helix chain 'G' and resid 2310 through 2317 removed outlier: 3.577A pdb=" N ALA G2315 " --> pdb=" O PRO G2311 " (cutoff:3.500A) Processing helix chain 'G' and resid 2326 through 2340 removed outlier: 4.046A pdb=" N ARG G2330 " --> pdb=" O CYS G2326 " (cutoff:3.500A) removed outlier: 4.075A pdb=" N TYR G2331 " --> pdb=" O GLY G2327 " (cutoff:3.500A) removed outlier: 3.713A pdb=" N PHE G2334 " --> pdb=" O ARG G2330 " (cutoff:3.500A) removed outlier: 3.519A pdb=" N LEU G2335 " --> pdb=" O TYR G2331 " (cutoff:3.500A) removed outlier: 4.160A pdb=" N PHE G2337 " --> pdb=" O ASP G2333 " (cutoff:3.500A) removed outlier: 3.903A pdb=" N ALA G2338 " --> pdb=" O PHE G2334 " (cutoff:3.500A) Processing helix chain 'G' and resid 2346 through 2361 removed outlier: 3.949A pdb=" N ALA G2350 " --> pdb=" O VAL G2346 " (cutoff:3.500A) removed outlier: 4.363A pdb=" N ARG G2359 " --> pdb=" O ARG G2355 " (cutoff:3.500A) removed outlier: 4.282A pdb=" N LYS G2360 " --> pdb=" O LEU G2356 " (cutoff:3.500A) Proline residue: G2361 - end of helix Processing helix chain 'G' and resid 2375 through 2390 removed outlier: 3.614A pdb=" N ASP G2389 " --> pdb=" O ARG G2385 " (cutoff:3.500A) Proline residue: G2390 - end of helix Processing helix chain 'G' and resid 2417 through 2437 removed outlier: 4.379A pdb=" N MET G2423 " --> pdb=" O GLY G2419 " (cutoff:3.500A) removed outlier: 3.565A pdb=" N LEU G2432 " --> pdb=" O ALA G2428 " (cutoff:3.500A) removed outlier: 4.042A pdb=" N ALA G2437 " --> pdb=" O LEU G2433 " (cutoff:3.500A) Processing helix chain 'G' and resid 2439 through 2446 removed outlier: 3.511A pdb=" N ILE G2443 " --> pdb=" O GLU G2439 " (cutoff:3.500A) removed outlier: 3.549A pdb=" N ALA G2445 " --> pdb=" O HIS G2441 " (cutoff:3.500A) removed outlier: 4.999A pdb=" N GLY G2446 " --> pdb=" O LEU G2442 " (cutoff:3.500A) Processing helix chain 'G' and resid 2447 through 2462 removed outlier: 3.933A pdb=" N LEU G2451 " --> pdb=" O LYS G2447 " (cutoff:3.500A) removed outlier: 3.632A pdb=" N ARG G2452 " --> pdb=" O GLY G2448 " (cutoff:3.500A) Proline residue: G2462 - end of helix Processing helix chain 'G' and resid 2463 through 2472 Processing helix chain 'G' and resid 2495 through 2509 removed outlier: 4.633A pdb=" N LYS G2499 " --> pdb=" O VAL G2495 " (cutoff:3.500A) Processing helix chain 'G' and resid 2514 through 2537 removed outlier: 4.277A pdb=" N LEU G2518 " --> pdb=" O ASN G2514 " (cutoff:3.500A) removed outlier: 3.543A pdb=" N VAL G2521 " --> pdb=" O PHE G2517 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N PHE G2526 " --> pdb=" O LEU G2522 " (cutoff:3.500A) removed outlier: 3.683A pdb=" N LEU G2527 " --> pdb=" O ASP G2523 " (cutoff:3.500A) Proline residue: G2528 - end of helix removed outlier: 3.915A pdb=" N ALA G2532 " --> pdb=" O PRO G2528 " (cutoff:3.500A) removed outlier: 3.735A pdb=" N ASP G2537 " --> pdb=" O ALA G2533 " (cutoff:3.500A) Processing helix chain 'G' and resid 2544 through 2566 removed outlier: 3.555A pdb=" N LEU G2548 " --> pdb=" O THR G2544 " (cutoff:3.500A) removed outlier: 5.727A pdb=" N LEU G2559 " --> pdb=" O CYS G2555 " (cutoff:3.500A) Proline residue: G2560 - end of helix Processing helix chain 'G' and resid 2575 through 2592 removed outlier: 4.963A pdb=" N VAL G2579 " --> pdb=" O ARG G2575 " (cutoff:3.500A) removed outlier: 3.819A pdb=" N ASP G2580 " --> pdb=" O ALA G2576 " (cutoff:3.500A) removed outlier: 3.639A pdb=" N TYR G2587 " --> pdb=" O LEU G2583 " (cutoff:3.500A) removed outlier: 3.960A pdb=" N ARG G2591 " --> pdb=" O TYR G2587 " (cutoff:3.500A) removed outlier: 5.376A pdb=" N GLY G2592 " --> pdb=" O ARG G2588 " (cutoff:3.500A) Processing helix chain 'G' and resid 2596 through 2614 removed outlier: 3.573A pdb=" N VAL G2602 " --> pdb=" O ALA G2598 " (cutoff:3.500A) removed outlier: 3.712A pdb=" N ARG G2612 " --> pdb=" O MET G2608 " (cutoff:3.500A) removed outlier: 4.667A pdb=" N TYR G2613 " --> pdb=" O ALA G2609 " (cutoff:3.500A) removed outlier: 5.212A pdb=" N ILE G2614 " --> pdb=" O LEU G2610 " (cutoff:3.500A) Processing helix chain 'G' and resid 2617 through 2634 removed outlier: 4.848A pdb=" N HIS G2621 " --> pdb=" O SER G2617 " (cutoff:3.500A) removed outlier: 4.424A pdb=" N LEU G2622 " --> pdb=" O MET G2618 " (cutoff:3.500A) removed outlier: 3.649A pdb=" N VAL G2627 " --> pdb=" O LEU G2623 " (cutoff:3.500A) removed outlier: 4.038A pdb=" N PHE G2628 " --> pdb=" O ARG G2624 " (cutoff:3.500A) removed outlier: 3.928A pdb=" N ASP G2629 " --> pdb=" O ARG G2625 " (cutoff:3.500A) Proline residue: G2631 - end of helix removed outlier: 5.103A pdb=" N ASN G2634 " --> pdb=" O VAL G2630 " (cutoff:3.500A) Processing helix chain 'G' and resid 2748 through 2774 removed outlier: 3.586A pdb=" N ASP G2752 " --> pdb=" O PRO G2748 " (cutoff:3.500A) removed outlier: 4.138A pdb=" N SER G2753 " --> pdb=" O GLU G2749 " (cutoff:3.500A) removed outlier: 4.028A pdb=" N ASN G2756 " --> pdb=" O ASP G2752 " (cutoff:3.500A) removed outlier: 4.131A pdb=" N GLN G2772 " --> pdb=" O PHE G2768 " (cutoff:3.500A) removed outlier: 4.202A pdb=" N ASN G2773 " --> pdb=" O ASP G2769 " (cutoff:3.500A) removed outlier: 3.828A pdb=" N ASN G2774 " --> pdb=" O LYS G2770 " (cutoff:3.500A) Processing helix chain 'G' and resid 2793 through 2798 removed outlier: 3.784A pdb=" N PHE G2797 " --> pdb=" O PRO G2793 " (cutoff:3.500A) removed outlier: 6.001A pdb=" N SER G2798 " --> pdb=" O TYR G2794 " (cutoff:3.500A) No H-bonds generated for 'chain 'G' and resid 2793 through 2798' Processing helix chain 'G' and resid 2799 through 2820 removed outlier: 3.894A pdb=" N GLU G2803 " --> pdb=" O GLU G2799 " (cutoff:3.500A) removed outlier: 6.027A pdb=" N ILE G2804 " --> pdb=" O LYS G2800 " (cutoff:3.500A) removed outlier: 5.573A pdb=" N TYR G2805 " --> pdb=" O ASP G2801 " (cutoff:3.500A) removed outlier: 4.550A pdb=" N TRP G2807 " --> pdb=" O GLU G2803 " (cutoff:3.500A) Proline residue: G2808 - end of helix removed outlier: 4.210A pdb=" N SER G2812 " --> pdb=" O PRO G2808 " (cutoff:3.500A) removed outlier: 3.940A pdb=" N LEU G2813 " --> pdb=" O ILE G2809 " (cutoff:3.500A) Processing helix chain 'G' and resid 2868 through 2896 removed outlier: 4.224A pdb=" N ALA G2873 " --> pdb=" O ARG G2869 " (cutoff:3.500A) removed outlier: 3.611A pdb=" N GLU G2876 " --> pdb=" O GLN G2872 " (cutoff:3.500A) Processing helix chain 'G' and resid 2913 through 2933 removed outlier: 3.977A pdb=" N ARG G2918 " --> pdb=" O LYS G2914 " (cutoff:3.500A) removed outlier: 4.102A pdb=" N GLU G2921 " --> pdb=" O ALA G2917 " (cutoff:3.500A) removed outlier: 4.049A pdb=" N LYS G2922 " --> pdb=" O ARG G2918 " (cutoff:3.500A) removed outlier: 3.759A pdb=" N ALA G2923 " --> pdb=" O ASP G2919 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N MET G2932 " --> pdb=" O LYS G2928 " (cutoff:3.500A) removed outlier: 5.417A pdb=" N ASN G2933 " --> pdb=" O PHE G2929 " (cutoff:3.500A) Processing helix chain 'G' and resid 3625 through 3638 removed outlier: 3.658A pdb=" N ARG G3630 " --> pdb=" O LYS G3626 " (cutoff:3.500A) removed outlier: 3.537A pdb=" N VAL G3633 " --> pdb=" O ARG G3629 " (cutoff:3.500A) removed outlier: 4.809A pdb=" N PHE G3636 " --> pdb=" O VAL G3632 " (cutoff:3.500A) removed outlier: 4.405A pdb=" N ARG G3637 " --> pdb=" O VAL G3633 " (cutoff:3.500A) removed outlier: 3.939A pdb=" N MET G3638 " --> pdb=" O ALA G3634 " (cutoff:3.500A) Processing helix chain 'G' and resid 3640 through 3645 removed outlier: 3.619A pdb=" N LEU G3644 " --> pdb=" O PRO G3640 " (cutoff:3.500A) Proline residue: G3645 - end of helix No H-bonds generated for 'chain 'G' and resid 3640 through 3645' Processing helix chain 'G' and resid 3646 through 3665 removed outlier: 4.952A pdb=" N LEU G3663 " --> pdb=" O ALA G3659 " (cutoff:3.500A) removed outlier: 4.882A pdb=" N THR G3664 " --> pdb=" O ALA G3660 " (cutoff:3.500A) Processing helix chain 'G' and resid 3668 through 3682 removed outlier: 4.294A pdb=" N ARG G3672 " --> pdb=" O SER G3668 " (cutoff:3.500A) removed outlier: 3.768A pdb=" N ILE G3674 " --> pdb=" O GLU G3670 " (cutoff:3.500A) removed outlier: 3.523A pdb=" N ASP G3676 " --> pdb=" O ARG G3672 " (cutoff:3.500A) removed outlier: 4.100A pdb=" N GLY G3681 " --> pdb=" O LEU G3677 " (cutoff:3.500A) removed outlier: 5.119A pdb=" N GLU G3682 " --> pdb=" O SER G3678 " (cutoff:3.500A) Processing helix chain 'G' and resid 3696 through 3711 removed outlier: 3.876A pdb=" N ALA G3709 " --> pdb=" O PHE G3705 " (cutoff:3.500A) removed outlier: 3.831A pdb=" N LEU G3710 " --> pdb=" O SER G3706 " (cutoff:3.500A) removed outlier: 3.902A pdb=" N THR G3711 " --> pdb=" O ARG G3707 " (cutoff:3.500A) Processing helix chain 'G' and resid 3719 through 3735 removed outlier: 3.503A pdb=" N ASP G3727 " --> pdb=" O MET G3723 " (cutoff:3.500A) removed outlier: 3.859A pdb=" N ILE G3728 " --> pdb=" O ALA G3724 " (cutoff:3.500A) removed outlier: 3.845A pdb=" N CYS G3733 " --> pdb=" O MET G3729 " (cutoff:3.500A) removed outlier: 3.931A pdb=" N LEU G3735 " --> pdb=" O LYS G3731 " (cutoff:3.500A) Processing helix chain 'G' and resid 3752 through 3772 removed outlier: 3.856A pdb=" N LYS G3756 " --> pdb=" O SER G3752 " (cutoff:3.500A) removed outlier: 3.738A pdb=" N THR G3772 " --> pdb=" O SER G3768 " (cutoff:3.500A) Processing helix chain 'G' and resid 3774 through 3787 removed outlier: 3.602A pdb=" N MET G3778 " --> pdb=" O GLY G3774 " (cutoff:3.500A) removed outlier: 3.895A pdb=" N LEU G3780 " --> pdb=" O ALA G3776 " (cutoff:3.500A) removed outlier: 3.672A pdb=" N MET G3782 " --> pdb=" O MET G3778 " (cutoff:3.500A) removed outlier: 4.127A pdb=" N LYS G3787 " --> pdb=" O ILE G3783 " (cutoff:3.500A) Processing helix chain 'G' and resid 3791 through 3806 removed outlier: 4.252A pdb=" N SER G3795 " --> pdb=" O GLY G3791 " (cutoff:3.500A) removed outlier: 3.759A pdb=" N SER G3796 " --> pdb=" O ALA G3792 " (cutoff:3.500A) removed outlier: 3.616A pdb=" N LYS G3799 " --> pdb=" O SER G3795 " (cutoff:3.500A) Processing helix chain 'G' and resid 3809 through 3824 removed outlier: 4.193A pdb=" N GLN G3813 " --> pdb=" O ASN G3809 " (cutoff:3.500A) removed outlier: 3.890A pdb=" N TYR G3819 " --> pdb=" O LYS G3815 " (cutoff:3.500A) removed outlier: 3.610A pdb=" N LYS G3824 " --> pdb=" O LEU G3820 " (cutoff:3.500A) Processing helix chain 'G' and resid 3826 through 3839 removed outlier: 6.682A pdb=" N GLN G3830 " --> pdb=" O VAL G3826 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N SER G3831 " --> pdb=" O GLY G3827 " (cutoff:3.500A) removed outlier: 3.535A pdb=" N ILE G3832 " --> pdb=" O PHE G3828 " (cutoff:3.500A) removed outlier: 3.521A pdb=" N THR G3838 " --> pdb=" O ALA G3834 " (cutoff:3.500A) removed outlier: 4.549A pdb=" N CYS G3839 " --> pdb=" O LEU G3835 " (cutoff:3.500A) Processing helix chain 'G' and resid 3843 through 3856 removed outlier: 4.220A pdb=" N PHE G3847 " --> pdb=" O ASP G3843 " (cutoff:3.500A) removed outlier: 5.283A pdb=" N GLU G3848 " --> pdb=" O LEU G3844 " (cutoff:3.500A) removed outlier: 3.989A pdb=" N ARG G3849 " --> pdb=" O ASN G3845 " (cutoff:3.500A) removed outlier: 3.909A pdb=" N GLY G3855 " --> pdb=" O ASN G3851 " (cutoff:3.500A) removed outlier: 4.525A pdb=" N LEU G3856 " --> pdb=" O LYS G3852 " (cutoff:3.500A) Processing helix chain 'G' and resid 3866 through 3871 removed outlier: 4.005A pdb=" N ASN G3870 " --> pdb=" O ILE G3866 " (cutoff:3.500A) Processing helix chain 'G' and resid 3877 through 3893 removed outlier: 3.886A pdb=" N PHE G3885 " --> pdb=" O THR G3881 " (cutoff:3.500A) removed outlier: 4.265A pdb=" N CYS G3892 " --> pdb=" O LEU G3888 " (cutoff:3.500A) Processing helix chain 'G' and resid 3896 through 3905 removed outlier: 4.058A pdb=" N GLN G3900 " --> pdb=" O ASN G3896 " (cutoff:3.500A) removed outlier: 3.567A pdb=" N ARG G3904 " --> pdb=" O GLN G3900 " (cutoff:3.500A) Processing helix chain 'G' and resid 3914 through 3938 removed outlier: 3.655A pdb=" N CYS G3918 " --> pdb=" O ASN G3914 " (cutoff:3.500A) Processing helix chain 'G' and resid 3944 through 3970 removed outlier: 3.651A pdb=" N VAL G3957 " --> pdb=" O LYS G3953 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N GLU G3967 " --> pdb=" O ASN G3963 " (cutoff:3.500A) removed outlier: 3.658A pdb=" N TYR G3968 " --> pdb=" O SER G3964 " (cutoff:3.500A) Processing helix chain 'G' and resid 3973 through 3984 removed outlier: 3.963A pdb=" N GLN G3977 " --> pdb=" O CYS G3973 " (cutoff:3.500A) removed outlier: 5.264A pdb=" N ARG G3984 " --> pdb=" O LEU G3980 " (cutoff:3.500A) Processing helix chain 'G' and resid 3985 through 4004 removed outlier: 3.507A pdb=" N HIS G3998 " --> pdb=" O HIS G3994 " (cutoff:3.500A) removed outlier: 3.948A pdb=" N MET G4001 " --> pdb=" O ALA G3997 " (cutoff:3.500A) Processing helix chain 'G' and resid 4009 through 4032 removed outlier: 3.680A pdb=" N LEU G4013 " --> pdb=" O GLN G4009 " (cutoff:3.500A) removed outlier: 3.613A pdb=" N LEU G4031 " --> pdb=" O LEU G4027 " (cutoff:3.500A) removed outlier: 3.816A pdb=" N GLU G4032 " --> pdb=" O LEU G4028 " (cutoff:3.500A) Processing helix chain 'G' and resid 4038 through 4052 removed outlier: 3.655A pdb=" N ARG G4042 " --> pdb=" O GLY G4038 " (cutoff:3.500A) removed outlier: 3.665A pdb=" N MET G4047 " --> pdb=" O GLN G4043 " (cutoff:3.500A) Processing helix chain 'G' and resid 4053 through 4072 removed outlier: 3.508A pdb=" N MET G4057 " --> pdb=" O SER G4053 " (cutoff:3.500A) removed outlier: 3.754A pdb=" N LEU G4066 " --> pdb=" O PHE G4062 " (cutoff:3.500A) removed outlier: 3.719A pdb=" N LEU G4068 " --> pdb=" O MET G4064 " (cutoff:3.500A) removed outlier: 4.839A pdb=" N LYS G4069 " --> pdb=" O PHE G4065 " (cutoff:3.500A) removed outlier: 4.006A pdb=" N ASP G4070 " --> pdb=" O LEU G4066 " (cutoff:3.500A) Processing helix chain 'G' and resid 4074 through 4082 removed outlier: 3.732A pdb=" N GLN G4078 " --> pdb=" O SER G4074 " (cutoff:3.500A) removed outlier: 3.895A pdb=" N VAL G4081 " --> pdb=" O PHE G4077 " (cutoff:3.500A) removed outlier: 5.558A pdb=" N THR G4082 " --> pdb=" O GLN G4078 " (cutoff:3.500A) Processing helix chain 'G' and resid 4089 through 4101 removed outlier: 3.877A pdb=" N PHE G4093 " --> pdb=" O SER G4089 " (cutoff:3.500A) removed outlier: 3.708A pdb=" N GLN G4100 " --> pdb=" O ALA G4096 " (cutoff:3.500A) removed outlier: 5.393A pdb=" N LYS G4101 " --> pdb=" O MET G4097 " (cutoff:3.500A) Processing helix chain 'G' and resid 4104 through 4116 removed outlier: 3.502A pdb=" N ILE G4108 " --> pdb=" O THR G4104 " (cutoff:3.500A) removed outlier: 4.005A pdb=" N GLN G4109 " --> pdb=" O GLY G4105 " (cutoff:3.500A) removed outlier: 3.559A pdb=" N PHE G4110 " --> pdb=" O PRO G4106 " (cutoff:3.500A) removed outlier: 5.215A pdb=" N GLU G4116 " --> pdb=" O LEU G4112 " (cutoff:3.500A) Processing helix chain 'G' and resid 4124 through 4137 removed outlier: 3.571A pdb=" N ASN G4130 " --> pdb=" O GLU G4126 " (cutoff:3.500A) removed outlier: 4.820A pdb=" N PHE G4132 " --> pdb=" O PHE G4128 " (cutoff:3.500A) removed outlier: 4.280A pdb=" N GLN G4133 " --> pdb=" O ALA G4129 " (cutoff:3.500A) removed outlier: 4.486A pdb=" N GLU G4134 " --> pdb=" O ASN G4130 " (cutoff:3.500A) Proline residue: G4135 - end of helix Processing helix chain 'G' and resid 4138 through 4154 removed outlier: 3.662A pdb=" N ALA G4144 " --> pdb=" O GLY G4140 " (cutoff:3.500A) Processing helix chain 'G' and resid 4157 through 4168 removed outlier: 3.796A pdb=" N GLU G4165 " --> pdb=" O ARG G4161 " (cutoff:3.500A) Processing helix chain 'G' and resid 4169 through 4175 removed outlier: 3.774A pdb=" N PHE G4174 " --> pdb=" O ILE G4170 " (cutoff:3.500A) Processing helix chain 'G' and resid 4198 through 4207 removed outlier: 3.641A pdb=" N ARG G4202 " --> pdb=" O SER G4198 " (cutoff:3.500A) removed outlier: 4.658A pdb=" N MET G4207 " --> pdb=" O ALA G4203 " (cutoff:3.500A) Processing helix chain 'G' and resid 4208 through 4224 removed outlier: 3.793A pdb=" N SER G4213 " --> pdb=" O GLN G4209 " (cutoff:3.500A) removed outlier: 3.535A pdb=" N PHE G4219 " --> pdb=" O ARG G4215 " (cutoff:3.500A) removed outlier: 3.504A pdb=" N VAL G4221 " --> pdb=" O PHE G4217 " (cutoff:3.500A) removed outlier: 3.558A pdb=" N VAL G4222 " --> pdb=" O ILE G4218 " (cutoff:3.500A) removed outlier: 4.073A pdb=" N GLU G4224 " --> pdb=" O ASP G4220 " (cutoff:3.500A) Processing helix chain 'G' and resid 4227 through 4252 removed outlier: 4.943A pdb=" N MET G4231 " --> pdb=" O GLU G4227 " (cutoff:3.500A) removed outlier: 4.462A pdb=" N GLU G4232 " --> pdb=" O ALA G4228 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N ASP G4240 " --> pdb=" O SER G4236 " (cutoff:3.500A) Processing helix chain 'G' and resid 4541 through 4559 removed outlier: 3.848A pdb=" N ASN G4558 " --> pdb=" O TYR G4554 " (cutoff:3.500A) Processing helix chain 'G' and resid 4560 through 4579 removed outlier: 3.607A pdb=" N ASN G4574 " --> pdb=" O ALA G4570 " (cutoff:3.500A) removed outlier: 3.520A pdb=" N LEU G4577 " --> pdb=" O ILE G4573 " (cutoff:3.500A) removed outlier: 4.114A pdb=" N LEU G4578 " --> pdb=" O ASN G4574 " (cutoff:3.500A) removed outlier: 5.148A pdb=" N PHE G4579 " --> pdb=" O PHE G4575 " (cutoff:3.500A) Processing helix chain 'G' and resid 4639 through 4683 removed outlier: 3.747A pdb=" N LEU G4648 " --> pdb=" O TRP G4644 " (cutoff:3.500A) removed outlier: 3.540A pdb=" N LYS G4665 " --> pdb=" O TYR G4661 " (cutoff:3.500A) removed outlier: 5.470A pdb=" N VAL G4666 " --> pdb=" O ASN G4662 " (cutoff:3.500A) Proline residue: G4667 - end of helix removed outlier: 3.567A pdb=" N ILE G4670 " --> pdb=" O VAL G4666 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N ARG G4673 " --> pdb=" O VAL G4669 " (cutoff:3.500A) removed outlier: 3.560A pdb=" N ALA G4678 " --> pdb=" O GLU G4674 " (cutoff:3.500A) Processing helix chain 'G' and resid 4696 through 4709 removed outlier: 3.931A pdb=" N GLN G4700 " --> pdb=" O ASP G4696 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N ASP G4702 " --> pdb=" O LYS G4698 " (cutoff:3.500A) removed outlier: 4.121A pdb=" N ARG G4703 " --> pdb=" O GLY G4699 " (cutoff:3.500A) removed outlier: 4.799A pdb=" N LEU G4704 " --> pdb=" O GLN G4700 " (cutoff:3.500A) removed outlier: 5.008A pdb=" N VAL G4705 " --> pdb=" O TRP G4701 " (cutoff:3.500A) removed outlier: 4.237A pdb=" N LEU G4706 " --> pdb=" O ASP G4702 " (cutoff:3.500A) removed outlier: 4.803A pdb=" N ASN G4707 " --> pdb=" O ARG G4703 " (cutoff:3.500A) removed outlier: 4.975A pdb=" N THR G4708 " --> pdb=" O LEU G4704 " (cutoff:3.500A) Proline residue: G4709 - end of helix Processing helix chain 'G' and resid 4719 through 4729 Processing helix chain 'G' and resid 4733 through 4742 Processing helix chain 'G' and resid 4745 through 4756 removed outlier: 3.930A pdb=" N ILE G4750 " --> pdb=" O ALA G4746 " (cutoff:3.500A) removed outlier: 4.700A pdb=" N THR G4751 " --> pdb=" O SER G4747 " (cutoff:3.500A) Processing helix chain 'G' and resid 4766 through 4772 removed outlier: 5.530A pdb=" N ASP G4772 " --> pdb=" O LEU G4768 " (cutoff:3.500A) Processing helix chain 'G' and resid 4773 through 4787 removed outlier: 3.887A pdb=" N PHE G4784 " --> pdb=" O PHE G4780 " (cutoff:3.500A) removed outlier: 5.682A pdb=" N ASN G4787 " --> pdb=" O ILE G4783 " (cutoff:3.500A) Processing helix chain 'G' and resid 4788 through 4805 removed outlier: 4.116A pdb=" N HIS G4803 " --> pdb=" O SER G4799 " (cutoff:3.500A) removed outlier: 4.415A pdb=" N TYR G4804 " --> pdb=" O LEU G4800 " (cutoff:3.500A) Processing helix chain 'G' and resid 4806 through 4819 removed outlier: 5.070A pdb=" N ALA G4810 " --> pdb=" O ASN G4806 " (cutoff:3.500A) removed outlier: 5.381A pdb=" N ALA G4811 " --> pdb=" O PHE G4807 " (cutoff:3.500A) removed outlier: 5.189A pdb=" N HIS G4812 " --> pdb=" O PHE G4808 " (cutoff:3.500A) removed outlier: 4.559A pdb=" N LEU G4813 " --> pdb=" O PHE G4809 " (cutoff:3.500A) removed outlier: 4.388A pdb=" N LEU G4814 " --> pdb=" O ALA G4810 " (cutoff:3.500A) removed outlier: 4.485A pdb=" N ASP G4815 " --> pdb=" O ALA G4811 " (cutoff:3.500A) removed outlier: 5.088A pdb=" N ILE G4816 " --> pdb=" O HIS G4812 " (cutoff:3.500A) removed outlier: 5.084A pdb=" N ALA G4817 " --> pdb=" O LEU G4813 " (cutoff:3.500A) removed outlier: 3.838A pdb=" N MET G4818 " --> pdb=" O LEU G4814 " (cutoff:3.500A) Processing helix chain 'G' and resid 4821 through 4832 removed outlier: 3.687A pdb=" N THR G4825 " --> pdb=" O LYS G4821 " (cutoff:3.500A) removed outlier: 4.180A pdb=" N ILE G4826 " --> pdb=" O THR G4822 " (cutoff:3.500A) removed outlier: 3.724A pdb=" N LEU G4827 " --> pdb=" O LEU G4823 " (cutoff:3.500A) removed outlier: 4.131A pdb=" N VAL G4830 " --> pdb=" O ILE G4826 " (cutoff:3.500A) removed outlier: 4.194A pdb=" N THR G4831 " --> pdb=" O LEU G4827 " (cutoff:3.500A) Processing helix chain 'G' and resid 4833 through 4858 removed outlier: 3.673A pdb=" N MET G4839 " --> pdb=" O LYS G4835 " (cutoff:3.500A) removed outlier: 3.537A pdb=" N THR G4840 " --> pdb=" O GLN G4836 " (cutoff:3.500A) removed outlier: 3.825A pdb=" N VAL G4854 " --> pdb=" O LEU G4850 " (cutoff:3.500A) Processing helix chain 'G' and resid 4878 through 4893 removed outlier: 4.848A pdb=" N VAL G4891 " --> pdb=" O MET G4887 " (cutoff:3.500A) removed outlier: 4.527A pdb=" N ARG G4892 " --> pdb=" O TYR G4888 " (cutoff:3.500A) Processing helix chain 'G' and resid 4897 through 4902 removed outlier: 4.003A pdb=" N ILE G4901 " --> pdb=" O ILE G4897 " (cutoff:3.500A) removed outlier: 5.338A pdb=" N GLU G4902 " --> pdb=" O GLY G4898 " (cutoff:3.500A) No H-bonds generated for 'chain 'G' and resid 4897 through 4902' Processing helix chain 'G' and resid 4909 through 4925 removed outlier: 3.647A pdb=" N ARG G4913 " --> pdb=" O TYR G4909 " (cutoff:3.500A) removed outlier: 3.694A pdb=" N VAL G4914 " --> pdb=" O GLU G4910 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N VAL G4915 " --> pdb=" O LEU G4911 " (cutoff:3.500A) removed outlier: 4.136A pdb=" N ILE G4918 " --> pdb=" O VAL G4914 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N PHE G4923 " --> pdb=" O THR G4919 " (cutoff:3.500A) removed outlier: 3.844A pdb=" N ILE G4925 " --> pdb=" O PHE G4921 " (cutoff:3.500A) Processing helix chain 'G' and resid 4928 through 4957 removed outlier: 3.541A pdb=" N GLN G4933 " --> pdb=" O LEU G4929 " (cutoff:3.500A) removed outlier: 3.583A pdb=" N ILE G4937 " --> pdb=" O GLN G4933 " (cutoff:3.500A) removed outlier: 4.581A pdb=" N ASP G4938 " --> pdb=" O GLY G4934 " (cutoff:3.500A) removed outlier: 3.531A pdb=" N ALA G4939 " --> pdb=" O LEU G4935 " (cutoff:3.500A) removed outlier: 3.902A pdb=" N LYS G4951 " --> pdb=" O GLN G4947 " (cutoff:3.500A) Processing helix chain 'G' and resid 4964 through 4970 removed outlier: 4.444A pdb=" N PHE G4968 " --> pdb=" O GLY G4964 " (cutoff:3.500A) removed outlier: 3.963A pdb=" N ASP G4969 " --> pdb=" O SER G4965 " (cutoff:3.500A) removed outlier: 5.263A pdb=" N THR G4970 " --> pdb=" O ASP G4966 " (cutoff:3.500A) No H-bonds generated for 'chain 'G' and resid 4964 through 4970' Processing helix chain 'G' and resid 4973 through 4981 removed outlier: 3.547A pdb=" N GLU G4981 " --> pdb=" O THR G4977 " (cutoff:3.500A) Processing helix chain 'G' and resid 4984 through 4999 removed outlier: 3.571A pdb=" N MET G4989 " --> pdb=" O LEU G4985 " (cutoff:3.500A) removed outlier: 3.537A pdb=" N LEU G4992 " --> pdb=" O TYR G4988 " (cutoff:3.500A) removed outlier: 5.770A pdb=" N ASP G4999 " --> pdb=" O LEU G4995 " (cutoff:3.500A) Processing helix chain 'G' and resid 5004 through 5017 removed outlier: 3.776A pdb=" N GLU G5016 " --> pdb=" O LYS G5012 " (cutoff:3.500A) Processing helix chain 'G' and resid 502 through 507 removed outlier: 4.181A pdb=" N TYR G 506 " --> pdb=" O PHE G 503 " (cutoff:3.500A) removed outlier: 3.759A pdb=" N ALA G 507 " --> pdb=" O ALA G 504 " (cutoff:3.500A) Processing helix chain 'G' and resid 810 through 815 removed outlier: 3.536A pdb=" N GLU G 813 " --> pdb=" O PRO G 810 " (cutoff:3.500A) removed outlier: 3.833A pdb=" N ALA G 814 " --> pdb=" O CYS G 811 " (cutoff:3.500A) removed outlier: 4.129A pdb=" N VAL G 815 " --> pdb=" O HIS G 812 " (cutoff:3.500A) No H-bonds generated for 'chain 'G' and resid 810 through 815' Processing helix chain 'G' and resid 4685 through 4690 removed outlier: 3.748A pdb=" N GLU G4690 " --> pdb=" O GLY G4685 " (cutoff:3.500A) No H-bonds generated for 'chain 'G' and resid 4685 through 4690' Processing helix chain 'J' and resid 61 through 66 removed outlier: 4.788A pdb=" N CYS J 65 " --> pdb=" O ASP J 61 " (cutoff:3.500A) removed outlier: 3.759A pdb=" N CYS J 66 " --> pdb=" O LEU J 62 " (cutoff:3.500A) No H-bonds generated for 'chain 'J' and resid 61 through 66' Processing helix chain 'J' and resid 74 through 84 removed outlier: 3.577A pdb=" N GLU J 80 " --> pdb=" O ARG J 76 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N MET J 81 " --> pdb=" O ALA J 77 " (cutoff:3.500A) Processing helix chain 'J' and resid 142 through 147 removed outlier: 4.129A pdb=" N CYS J 146 " --> pdb=" O THR J 142 " (cutoff:3.500A) removed outlier: 4.604A pdb=" N TRP J 147 " --> pdb=" O GLY J 143 " (cutoff:3.500A) No H-bonds generated for 'chain 'J' and resid 142 through 147' Processing helix chain 'J' and resid 249 through 256 removed outlier: 3.818A pdb=" N HIS J 255 " --> pdb=" O ALA J 251 " (cutoff:3.500A) removed outlier: 4.864A pdb=" N ALA J 256 " --> pdb=" O VAL J 252 " (cutoff:3.500A) Processing helix chain 'J' and resid 394 through 423 removed outlier: 3.633A pdb=" N SER J 398 " --> pdb=" O GLN J 394 " (cutoff:3.500A) removed outlier: 3.768A pdb=" N ALA J 400 " --> pdb=" O GLU J 396 " (cutoff:3.500A) removed outlier: 3.668A pdb=" N LEU J 410 " --> pdb=" O SER J 406 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N GLN J 413 " --> pdb=" O GLY J 409 " (cutoff:3.500A) removed outlier: 4.237A pdb=" N PHE J 421 " --> pdb=" O GLY J 417 " (cutoff:3.500A) removed outlier: 4.933A pdb=" N GLY J 423 " --> pdb=" O ASP J 419 " (cutoff:3.500A) Processing helix chain 'J' and resid 437 through 453 removed outlier: 3.760A pdb=" N LEU J 443 " --> pdb=" O GLU J 439 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N SER J 444 " --> pdb=" O ALA J 440 " (cutoff:3.500A) removed outlier: 3.620A pdb=" N LEU J 445 " --> pdb=" O VAL J 441 " (cutoff:3.500A) Processing helix chain 'J' and resid 460 through 482 removed outlier: 4.170A pdb=" N SER J 466 " --> pdb=" O GLU J 462 " (cutoff:3.500A) removed outlier: 3.541A pdb=" N PHE J 478 " --> pdb=" O ARG J 474 " (cutoff:3.500A) removed outlier: 3.860A pdb=" N GLU J 481 " --> pdb=" O LEU J 477 " (cutoff:3.500A) removed outlier: 4.037A pdb=" N GLY J 482 " --> pdb=" O PHE J 478 " (cutoff:3.500A) Processing helix chain 'J' and resid 483 through 498 removed outlier: 4.881A pdb=" N VAL J 487 " --> pdb=" O MET J 483 " (cutoff:3.500A) removed outlier: 4.673A pdb=" N VAL J 496 " --> pdb=" O ASP J 492 " (cutoff:3.500A) removed outlier: 5.191A pdb=" N TYR J 497 " --> pdb=" O ARG J 493 " (cutoff:3.500A) removed outlier: 5.446A pdb=" N THR J 498 " --> pdb=" O LEU J 494 " (cutoff:3.500A) Processing helix chain 'J' and resid 508 through 531 removed outlier: 4.534A pdb=" N LYS J 516 " --> pdb=" O ALA J 512 " (cutoff:3.500A) removed outlier: 5.021A pdb=" N GLU J 517 " --> pdb=" O GLU J 513 " (cutoff:3.500A) removed outlier: 3.708A pdb=" N ILE J 518 " --> pdb=" O SER J 514 " (cutoff:3.500A) removed outlier: 4.032A pdb=" N VAL J 519 " --> pdb=" O TRP J 515 " (cutoff:3.500A) removed outlier: 3.953A pdb=" N ARG J 531 " --> pdb=" O ALA J 527 " (cutoff:3.500A) Processing helix chain 'J' and resid 533 through 541 removed outlier: 3.974A pdb=" N LEU J 539 " --> pdb=" O ALA J 535 " (cutoff:3.500A) removed outlier: 4.159A pdb=" N PHE J 540 " --> pdb=" O ASN J 536 " (cutoff:3.500A) removed outlier: 4.505A pdb=" N SER J 541 " --> pdb=" O CYS J 537 " (cutoff:3.500A) Processing helix chain 'J' and resid 543 through 551 removed outlier: 3.897A pdb=" N VAL J 547 " --> pdb=" O ASN J 543 " (cutoff:3.500A) removed outlier: 4.533A pdb=" N LYS J 550 " --> pdb=" O TRP J 546 " (cutoff:3.500A) removed outlier: 4.087A pdb=" N LEU J 551 " --> pdb=" O VAL J 547 " (cutoff:3.500A) Processing helix chain 'J' and resid 556 through 571 removed outlier: 3.633A pdb=" N LEU J 561 " --> pdb=" O SER J 557 " (cutoff:3.500A) removed outlier: 3.576A pdb=" N ILE J 569 " --> pdb=" O TYR J 565 " (cutoff:3.500A) removed outlier: 4.223A pdb=" N GLU J 570 " --> pdb=" O CYS J 566 " (cutoff:3.500A) removed outlier: 4.090A pdb=" N SER J 571 " --> pdb=" O VAL J 567 " (cutoff:3.500A) Processing helix chain 'J' and resid 572 through 578 removed outlier: 4.053A pdb=" N ASN J 576 " --> pdb=" O PRO J 572 " (cutoff:3.500A) removed outlier: 4.248A pdb=" N ILE J 577 " --> pdb=" O GLU J 573 " (cutoff:3.500A) removed outlier: 3.936A pdb=" N ILE J 578 " --> pdb=" O VAL J 574 " (cutoff:3.500A) No H-bonds generated for 'chain 'J' and resid 572 through 578' Processing helix chain 'J' and resid 579 through 594 removed outlier: 3.761A pdb=" N ILE J 583 " --> pdb=" O GLN J 579 " (cutoff:3.500A) removed outlier: 3.542A pdb=" N ILE J 586 " --> pdb=" O HIS J 582 " (cutoff:3.500A) removed outlier: 3.760A pdb=" N GLY J 594 " --> pdb=" O LEU J 590 " (cutoff:3.500A) Processing helix chain 'J' and resid 596 through 609 removed outlier: 4.103A pdb=" N LEU J 600 " --> pdb=" O ASN J 596 " (cutoff:3.500A) removed outlier: 3.526A pdb=" N LEU J 603 " --> pdb=" O VAL J 599 " (cutoff:3.500A) removed outlier: 3.819A pdb=" N CYS J 607 " --> pdb=" O LEU J 603 " (cutoff:3.500A) removed outlier: 4.388A pdb=" N VAL J 608 " --> pdb=" O CYS J 604 " (cutoff:3.500A) removed outlier: 5.559A pdb=" N CYS J 609 " --> pdb=" O SER J 605 " (cutoff:3.500A) Processing helix chain 'J' and resid 614 through 629 removed outlier: 4.099A pdb=" N ASP J 619 " --> pdb=" O ARG J 615 " (cutoff:3.500A) removed outlier: 4.793A pdb=" N LEU J 620 " --> pdb=" O SER J 616 " (cutoff:3.500A) removed outlier: 3.842A pdb=" N ILE J 621 " --> pdb=" O ASN J 617 " (cutoff:3.500A) removed outlier: 3.840A pdb=" N THR J 622 " --> pdb=" O GLN J 618 " (cutoff:3.500A) removed outlier: 3.986A pdb=" N LEU J 626 " --> pdb=" O THR J 622 " (cutoff:3.500A) Proline residue: J 627 - end of helix Processing helix chain 'J' and resid 864 through 890 removed outlier: 3.864A pdb=" N ARG J 869 " --> pdb=" O PRO J 865 " (cutoff:3.500A) removed outlier: 4.716A pdb=" N ILE J 870 " --> pdb=" O HIS J 866 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N ARG J 871 " --> pdb=" O LEU J 867 " (cutoff:3.500A) removed outlier: 4.477A pdb=" N GLU J 872 " --> pdb=" O GLU J 868 " (cutoff:3.500A) removed outlier: 3.925A pdb=" N LYS J 873 " --> pdb=" O ARG J 869 " (cutoff:3.500A) Processing helix chain 'J' and resid 909 through 914 Proline residue: J 914 - end of helix Processing helix chain 'J' and resid 915 through 936 removed outlier: 3.503A pdb=" N TYR J 920 " --> pdb=" O PRO J 916 " (cutoff:3.500A) removed outlier: 3.538A pdb=" N LYS J 930 " --> pdb=" O GLY J 926 " (cutoff:3.500A) removed outlier: 3.667A pdb=" N LEU J 933 " --> pdb=" O LEU J 929 " (cutoff:3.500A) removed outlier: 3.639A pdb=" N ALA J 934 " --> pdb=" O LYS J 930 " (cutoff:3.500A) removed outlier: 3.546A pdb=" N LEU J 935 " --> pdb=" O THR J 931 " (cutoff:3.500A) removed outlier: 4.296A pdb=" N GLY J 936 " --> pdb=" O LEU J 932 " (cutoff:3.500A) Processing helix chain 'J' and resid 943 through 951 removed outlier: 5.417A pdb=" N LYS J 951 " --> pdb=" O GLU J 947 " (cutoff:3.500A) Processing helix chain 'J' and resid 978 through 1004 Processing helix chain 'J' and resid 1028 through 1050 removed outlier: 3.807A pdb=" N GLN J1041 " --> pdb=" O ASP J1037 " (cutoff:3.500A) removed outlier: 4.228A pdb=" N ALA J1042 " --> pdb=" O SER J1038 " (cutoff:3.500A) removed outlier: 3.646A pdb=" N ARG J1044 " --> pdb=" O CYS J1040 " (cutoff:3.500A) removed outlier: 3.651A pdb=" N THR J1045 " --> pdb=" O GLN J1041 " (cutoff:3.500A) removed outlier: 3.983A pdb=" N GLY J1050 " --> pdb=" O LEU J1046 " (cutoff:3.500A) Processing helix chain 'J' and resid 1207 through 1212 removed outlier: 3.660A pdb=" N LEU J1211 " --> pdb=" O ASP J1207 " (cutoff:3.500A) removed outlier: 5.572A pdb=" N ARG J1212 " --> pdb=" O VAL J1208 " (cutoff:3.500A) No H-bonds generated for 'chain 'J' and resid 1207 through 1212' Processing helix chain 'J' and resid 1423 through 1430 removed outlier: 3.518A pdb=" N LEU J1428 " --> pdb=" O PRO J1424 " (cutoff:3.500A) removed outlier: 3.597A pdb=" N ASN J1429 " --> pdb=" O GLU J1425 " (cutoff:3.500A) removed outlier: 3.526A pdb=" N THR J1430 " --> pdb=" O ILE J1426 " (cutoff:3.500A) Processing helix chain 'J' and resid 1444 through 1449 removed outlier: 4.488A pdb=" N VAL J1448 " --> pdb=" O GLU J1444 " (cutoff:3.500A) removed outlier: 5.835A pdb=" N TRP J1449 " --> pdb=" O PRO J1445 " (cutoff:3.500A) No H-bonds generated for 'chain 'J' and resid 1444 through 1449' Processing helix chain 'J' and resid 1496 through 1501 removed outlier: 4.251A pdb=" N PHE J1500 " --> pdb=" O TRP J1496 " (cutoff:3.500A) removed outlier: 3.730A pdb=" N VAL J1501 " --> pdb=" O GLY J1497 " (cutoff:3.500A) No H-bonds generated for 'chain 'J' and resid 1496 through 1501' Processing helix chain 'J' and resid 1574 through 1580 removed outlier: 4.519A pdb=" N ALA J1578 " --> pdb=" O PRO J1574 " (cutoff:3.500A) removed outlier: 3.540A pdb=" N MET J1579 " --> pdb=" O LEU J1575 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N PHE J1580 " --> pdb=" O SER J1576 " (cutoff:3.500A) No H-bonds generated for 'chain 'J' and resid 1574 through 1580' Processing helix chain 'J' and resid 1649 through 1657 removed outlier: 4.269A pdb=" N LEU J1653 " --> pdb=" O ASP J1649 " (cutoff:3.500A) removed outlier: 5.014A pdb=" N SER J1654 " --> pdb=" O ILE J1650 " (cutoff:3.500A) removed outlier: 5.058A pdb=" N GLU J1655 " --> pdb=" O LEU J1651 " (cutoff:3.500A) Processing helix chain 'J' and resid 1658 through 1675 removed outlier: 4.218A pdb=" N CYS J1674 " --> pdb=" O TYR J1670 " (cutoff:3.500A) removed outlier: 3.526A pdb=" N ALA J1675 " --> pdb=" O ARG J1671 " (cutoff:3.500A) Processing helix chain 'J' and resid 1678 through 1689 removed outlier: 3.531A pdb=" N ALA J1682 " --> pdb=" O ASN J1678 " (cutoff:3.500A) removed outlier: 3.520A pdb=" N ALA J1684 " --> pdb=" O ARG J1680 " (cutoff:3.500A) removed outlier: 3.765A pdb=" N SER J1687 " --> pdb=" O HIS J1683 " (cutoff:3.500A) removed outlier: 4.437A pdb=" N HIS J1688 " --> pdb=" O ALA J1684 " (cutoff:3.500A) Processing helix chain 'J' and resid 1690 through 1701 removed outlier: 3.538A pdb=" N ALA J1697 " --> pdb=" O GLN J1693 " (cutoff:3.500A) removed outlier: 3.638A pdb=" N LEU J1698 " --> pdb=" O LEU J1694 " (cutoff:3.500A) removed outlier: 4.221A pdb=" N GLU J1699 " --> pdb=" O LEU J1695 " (cutoff:3.500A) removed outlier: 3.508A pdb=" N ASP J1700 " --> pdb=" O HIS J1696 " (cutoff:3.500A) removed outlier: 6.282A pdb=" N ALA J1701 " --> pdb=" O ALA J1697 " (cutoff:3.500A) Processing helix chain 'J' and resid 1704 through 1719 removed outlier: 3.515A pdb=" N TYR J1712 " --> pdb=" O ARG J1708 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N ILE J1716 " --> pdb=" O TYR J1712 " (cutoff:3.500A) Processing helix chain 'J' and resid 1720 through 1732 removed outlier: 4.316A pdb=" N CYS J1724 " --> pdb=" O LEU J1720 " (cutoff:3.500A) removed outlier: 3.836A pdb=" N SER J1726 " --> pdb=" O SER J1722 " (cutoff:3.500A) removed outlier: 3.507A pdb=" N ARG J1727 " --> pdb=" O ALA J1723 " (cutoff:3.500A) removed outlier: 4.302A pdb=" N SER J1732 " --> pdb=" O ARG J1728 " (cutoff:3.500A) Processing helix chain 'J' and resid 1739 through 1745 removed outlier: 3.829A pdb=" N ARG J1743 " --> pdb=" O THR J1739 " (cutoff:3.500A) removed outlier: 4.199A pdb=" N ALA J1744 " --> pdb=" O PRO J1740 " (cutoff:3.500A) removed outlier: 5.145A pdb=" N ILE J1745 " --> pdb=" O GLU J1741 " (cutoff:3.500A) No H-bonds generated for 'chain 'J' and resid 1739 through 1745' Processing helix chain 'J' and resid 1803 through 1825 removed outlier: 3.544A pdb=" N LEU J1807 " --> pdb=" O PRO J1803 " (cutoff:3.500A) removed outlier: 3.990A pdb=" N ASP J1809 " --> pdb=" O GLU J1805 " (cutoff:3.500A) removed outlier: 3.718A pdb=" N ARG J1820 " --> pdb=" O GLY J1816 " (cutoff:3.500A) removed outlier: 4.000A pdb=" N GLY J1823 " --> pdb=" O VAL J1819 " (cutoff:3.500A) removed outlier: 4.360A pdb=" N GLN J1824 " --> pdb=" O ARG J1820 " (cutoff:3.500A) removed outlier: 4.085A pdb=" N HIS J1825 " --> pdb=" O ASP J1821 " (cutoff:3.500A) Processing helix chain 'J' and resid 1833 through 1852 Proline residue: J1840 - end of helix removed outlier: 3.517A pdb=" N LEU J1844 " --> pdb=" O PRO J1840 " (cutoff:3.500A) Processing helix chain 'J' and resid 1855 through 1867 Processing helix chain 'J' and resid 1925 through 1930 removed outlier: 3.613A pdb=" N MET J1929 " --> pdb=" O GLY J1925 " (cutoff:3.500A) removed outlier: 5.646A pdb=" N LYS J1930 " --> pdb=" O LEU J1926 " (cutoff:3.500A) No H-bonds generated for 'chain 'J' and resid 1925 through 1930' Processing helix chain 'J' and resid 1933 through 1981 removed outlier: 3.528A pdb=" N GLN J1938 " --> pdb=" O SER J1934 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N ASN J1941 " --> pdb=" O LEU J1937 " (cutoff:3.500A) removed outlier: 3.646A pdb=" N TYR J1945 " --> pdb=" O ASN J1941 " (cutoff:3.500A) removed outlier: 3.694A pdb=" N PHE J1946 " --> pdb=" O LEU J1942 " (cutoff:3.500A) removed outlier: 3.759A pdb=" N ASP J1967 " --> pdb=" O GLU J1963 " (cutoff:3.500A) removed outlier: 4.495A pdb=" N LYS J1968 " --> pdb=" O ARG J1964 " (cutoff:3.500A) removed outlier: 3.871A pdb=" N ALA J1971 " --> pdb=" O ASP J1967 " (cutoff:3.500A) Processing helix chain 'J' and resid 1987 through 1998 removed outlier: 3.838A pdb=" N THR J1991 " --> pdb=" O SER J1987 " (cutoff:3.500A) removed outlier: 3.972A pdb=" N ALA J1992 " --> pdb=" O ALA J1988 " (cutoff:3.500A) removed outlier: 5.558A pdb=" N ARG J1996 " --> pdb=" O ALA J1992 " (cutoff:3.500A) removed outlier: 4.555A pdb=" N GLU J1997 " --> pdb=" O ARG J1993 " (cutoff:3.500A) removed outlier: 3.610A pdb=" N PHE J1998 " --> pdb=" O ARG J1994 " (cutoff:3.500A) Processing helix chain 'J' and resid 2001 through 2011 removed outlier: 3.733A pdb=" N ILE J2006 " --> pdb=" O PRO J2002 " (cutoff:3.500A) removed outlier: 4.380A pdb=" N HIS J2011 " --> pdb=" O ASN J2007 " (cutoff:3.500A) Processing helix chain 'J' and resid 2024 through 2043 removed outlier: 3.874A pdb=" N ARG J2028 " --> pdb=" O PRO J2024 " (cutoff:3.500A) removed outlier: 4.692A pdb=" N GLN J2029 " --> pdb=" O GLU J2025 " (cutoff:3.500A) removed outlier: 4.910A pdb=" N ASP J2030 " --> pdb=" O ASP J2026 " (cutoff:3.500A) removed outlier: 5.163A pdb=" N LEU J2031 " --> pdb=" O ILE J2027 " (cutoff:3.500A) removed outlier: 3.921A pdb=" N GLN J2032 " --> pdb=" O ARG J2028 " (cutoff:3.500A) removed outlier: 4.315A pdb=" N GLY J2043 " --> pdb=" O LEU J2039 " (cutoff:3.500A) Processing helix chain 'J' and resid 2093 through 2109 removed outlier: 3.536A pdb=" N HIS J2100 " --> pdb=" O GLU J2096 " (cutoff:3.500A) removed outlier: 4.307A pdb=" N ASP J2109 " --> pdb=" O TRP J2105 " (cutoff:3.500A) Processing helix chain 'J' and resid 2113 through 2130 removed outlier: 3.551A pdb=" N VAL J2117 " --> pdb=" O SER J2113 " (cutoff:3.500A) removed outlier: 4.077A pdb=" N GLY J2130 " --> pdb=" O ARG J2126 " (cutoff:3.500A) Processing helix chain 'J' and resid 2131 through 2142 Proline residue: J2139 - end of helix removed outlier: 5.251A pdb=" N TYR J2142 " --> pdb=" O LEU J2138 " (cutoff:3.500A) Processing helix chain 'J' and resid 2145 through 2169 removed outlier: 4.291A pdb=" N VAL J2149 " --> pdb=" O SER J2145 " (cutoff:3.500A) removed outlier: 5.626A pdb=" N GLU J2150 " --> pdb=" O PRO J2146 " (cutoff:3.500A) removed outlier: 6.027A pdb=" N ASP J2151 " --> pdb=" O SER J2147 " (cutoff:3.500A) removed outlier: 4.278A pdb=" N SER J2154 " --> pdb=" O GLU J2150 " (cutoff:3.500A) removed outlier: 3.560A pdb=" N ILE J2162 " --> pdb=" O CYS J2158 " (cutoff:3.500A) removed outlier: 4.080A pdb=" N ILE J2167 " --> pdb=" O ARG J2163 " (cutoff:3.500A) removed outlier: 4.632A pdb=" N VAL J2168 " --> pdb=" O SER J2164 " (cutoff:3.500A) removed outlier: 5.311A pdb=" N GLN J2169 " --> pdb=" O LEU J2165 " (cutoff:3.500A) Processing helix chain 'J' and resid 2171 through 2189 removed outlier: 3.647A pdb=" N GLU J2175 " --> pdb=" O GLY J2171 " (cutoff:3.500A) removed outlier: 4.766A pdb=" N ASN J2176 " --> pdb=" O PRO J2172 " (cutoff:3.500A) removed outlier: 3.565A pdb=" N LEU J2177 " --> pdb=" O GLN J2173 " (cutoff:3.500A) removed outlier: 4.586A pdb=" N ASN J2187 " --> pdb=" O GLY J2183 " (cutoff:3.500A) removed outlier: 3.580A pdb=" N ASN J2188 " --> pdb=" O ASN J2184 " (cutoff:3.500A) removed outlier: 5.246A pdb=" N LYS J2189 " --> pdb=" O ILE J2185 " (cutoff:3.500A) Processing helix chain 'J' and resid 2190 through 2195 Proline residue: J2195 - end of helix Processing helix chain 'J' and resid 2196 through 2202 removed outlier: 3.815A pdb=" N GLY J2202 " --> pdb=" O MET J2198 " (cutoff:3.500A) Processing helix chain 'J' and resid 2203 through 2216 removed outlier: 3.859A pdb=" N VAL J2210 " --> pdb=" O THR J2206 " (cutoff:3.500A) Processing helix chain 'J' and resid 2225 through 2244 removed outlier: 3.715A pdb=" N SER J2231 " --> pdb=" O LYS J2227 " (cutoff:3.500A) removed outlier: 3.935A pdb=" N ARG J2241 " --> pdb=" O CYS J2237 " (cutoff:3.500A) removed outlier: 3.954A pdb=" N ILE J2242 " --> pdb=" O TYR J2238 " (cutoff:3.500A) removed outlier: 4.635A pdb=" N SER J2243 " --> pdb=" O PHE J2239 " (cutoff:3.500A) removed outlier: 5.565A pdb=" N ARG J2244 " --> pdb=" O CYS J2240 " (cutoff:3.500A) Processing helix chain 'J' and resid 2245 through 2255 removed outlier: 3.618A pdb=" N SER J2249 " --> pdb=" O GLN J2245 " (cutoff:3.500A) removed outlier: 3.854A pdb=" N MET J2250 " --> pdb=" O ASN J2246 " (cutoff:3.500A) removed outlier: 3.890A pdb=" N ASP J2252 " --> pdb=" O ARG J2248 " (cutoff:3.500A) removed outlier: 4.679A pdb=" N HIS J2253 " --> pdb=" O SER J2249 " (cutoff:3.500A) removed outlier: 4.040A pdb=" N LEU J2254 " --> pdb=" O MET J2250 " (cutoff:3.500A) removed outlier: 5.517A pdb=" N SER J2255 " --> pdb=" O PHE J2251 " (cutoff:3.500A) Processing helix chain 'J' and resid 2256 through 2262 removed outlier: 3.606A pdb=" N ASN J2260 " --> pdb=" O TYR J2256 " (cutoff:3.500A) removed outlier: 4.363A pdb=" N SER J2261 " --> pdb=" O LEU J2257 " (cutoff:3.500A) removed outlier: 5.152A pdb=" N GLY J2262 " --> pdb=" O LEU J2258 " (cutoff:3.500A) No H-bonds generated for 'chain 'J' and resid 2256 through 2262' Processing helix chain 'J' and resid 2271 through 2281 removed outlier: 3.940A pdb=" N VAL J2275 " --> pdb=" O THR J2271 " (cutoff:3.500A) removed outlier: 4.023A pdb=" N VAL J2280 " --> pdb=" O ALA J2276 " (cutoff:3.500A) removed outlier: 3.601A pdb=" N ILE J2281 " --> pdb=" O ALA J2277 " (cutoff:3.500A) Processing helix chain 'J' and resid 2283 through 2290 Processing helix chain 'J' and resid 2291 through 2308 removed outlier: 4.180A pdb=" N LEU J2295 " --> pdb=" O GLN J2291 " (cutoff:3.500A) removed outlier: 4.032A pdb=" N LYS J2297 " --> pdb=" O GLN J2293 " (cutoff:3.500A) removed outlier: 4.092A pdb=" N VAL J2298 " --> pdb=" O ASP J2294 " (cutoff:3.500A) removed outlier: 3.575A pdb=" N VAL J2299 " --> pdb=" O LEU J2295 " (cutoff:3.500A) removed outlier: 3.543A pdb=" N CYS J2305 " --> pdb=" O TYR J2301 " (cutoff:3.500A) removed outlier: 3.859A pdb=" N GLY J2306 " --> pdb=" O LEU J2302 " (cutoff:3.500A) removed outlier: 4.554A pdb=" N LEU J2307 " --> pdb=" O ALA J2303 " (cutoff:3.500A) removed outlier: 3.612A pdb=" N GLN J2308 " --> pdb=" O GLY J2304 " (cutoff:3.500A) Processing helix chain 'J' and resid 2310 through 2317 removed outlier: 3.577A pdb=" N ALA J2315 " --> pdb=" O PRO J2311 " (cutoff:3.500A) Processing helix chain 'J' and resid 2326 through 2340 removed outlier: 4.046A pdb=" N ARG J2330 " --> pdb=" O CYS J2326 " (cutoff:3.500A) removed outlier: 4.075A pdb=" N TYR J2331 " --> pdb=" O GLY J2327 " (cutoff:3.500A) removed outlier: 3.713A pdb=" N PHE J2334 " --> pdb=" O ARG J2330 " (cutoff:3.500A) removed outlier: 3.519A pdb=" N LEU J2335 " --> pdb=" O TYR J2331 " (cutoff:3.500A) removed outlier: 4.160A pdb=" N PHE J2337 " --> pdb=" O ASP J2333 " (cutoff:3.500A) removed outlier: 3.903A pdb=" N ALA J2338 " --> pdb=" O PHE J2334 " (cutoff:3.500A) Processing helix chain 'J' and resid 2346 through 2361 removed outlier: 3.949A pdb=" N ALA J2350 " --> pdb=" O VAL J2346 " (cutoff:3.500A) removed outlier: 4.363A pdb=" N ARG J2359 " --> pdb=" O ARG J2355 " (cutoff:3.500A) removed outlier: 4.282A pdb=" N LYS J2360 " --> pdb=" O LEU J2356 " (cutoff:3.500A) Proline residue: J2361 - end of helix Processing helix chain 'J' and resid 2375 through 2390 removed outlier: 3.614A pdb=" N ASP J2389 " --> pdb=" O ARG J2385 " (cutoff:3.500A) Proline residue: J2390 - end of helix Processing helix chain 'J' and resid 2417 through 2437 removed outlier: 4.379A pdb=" N MET J2423 " --> pdb=" O GLY J2419 " (cutoff:3.500A) removed outlier: 3.565A pdb=" N LEU J2432 " --> pdb=" O ALA J2428 " (cutoff:3.500A) removed outlier: 4.042A pdb=" N ALA J2437 " --> pdb=" O LEU J2433 " (cutoff:3.500A) Processing helix chain 'J' and resid 2439 through 2446 removed outlier: 3.511A pdb=" N ILE J2443 " --> pdb=" O GLU J2439 " (cutoff:3.500A) removed outlier: 3.549A pdb=" N ALA J2445 " --> pdb=" O HIS J2441 " (cutoff:3.500A) removed outlier: 4.999A pdb=" N GLY J2446 " --> pdb=" O LEU J2442 " (cutoff:3.500A) Processing helix chain 'J' and resid 2447 through 2462 removed outlier: 3.933A pdb=" N LEU J2451 " --> pdb=" O LYS J2447 " (cutoff:3.500A) removed outlier: 3.632A pdb=" N ARG J2452 " --> pdb=" O GLY J2448 " (cutoff:3.500A) Proline residue: J2462 - end of helix Processing helix chain 'J' and resid 2463 through 2472 Processing helix chain 'J' and resid 2495 through 2509 removed outlier: 4.633A pdb=" N LYS J2499 " --> pdb=" O VAL J2495 " (cutoff:3.500A) Processing helix chain 'J' and resid 2514 through 2537 removed outlier: 4.277A pdb=" N LEU J2518 " --> pdb=" O ASN J2514 " (cutoff:3.500A) removed outlier: 3.543A pdb=" N VAL J2521 " --> pdb=" O PHE J2517 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N PHE J2526 " --> pdb=" O LEU J2522 " (cutoff:3.500A) removed outlier: 3.683A pdb=" N LEU J2527 " --> pdb=" O ASP J2523 " (cutoff:3.500A) Proline residue: J2528 - end of helix removed outlier: 3.915A pdb=" N ALA J2532 " --> pdb=" O PRO J2528 " (cutoff:3.500A) removed outlier: 3.735A pdb=" N ASP J2537 " --> pdb=" O ALA J2533 " (cutoff:3.500A) Processing helix chain 'J' and resid 2544 through 2566 removed outlier: 3.556A pdb=" N LEU J2548 " --> pdb=" O THR J2544 " (cutoff:3.500A) removed outlier: 5.727A pdb=" N LEU J2559 " --> pdb=" O CYS J2555 " (cutoff:3.500A) Proline residue: J2560 - end of helix Processing helix chain 'J' and resid 2575 through 2592 removed outlier: 4.963A pdb=" N VAL J2579 " --> pdb=" O ARG J2575 " (cutoff:3.500A) removed outlier: 3.819A pdb=" N ASP J2580 " --> pdb=" O ALA J2576 " (cutoff:3.500A) removed outlier: 3.639A pdb=" N TYR J2587 " --> pdb=" O LEU J2583 " (cutoff:3.500A) removed outlier: 3.960A pdb=" N ARG J2591 " --> pdb=" O TYR J2587 " (cutoff:3.500A) removed outlier: 5.376A pdb=" N GLY J2592 " --> pdb=" O ARG J2588 " (cutoff:3.500A) Processing helix chain 'J' and resid 2596 through 2614 removed outlier: 3.573A pdb=" N VAL J2602 " --> pdb=" O ALA J2598 " (cutoff:3.500A) removed outlier: 3.712A pdb=" N ARG J2612 " --> pdb=" O MET J2608 " (cutoff:3.500A) removed outlier: 4.667A pdb=" N TYR J2613 " --> pdb=" O ALA J2609 " (cutoff:3.500A) removed outlier: 5.212A pdb=" N ILE J2614 " --> pdb=" O LEU J2610 " (cutoff:3.500A) Processing helix chain 'J' and resid 2617 through 2634 removed outlier: 4.848A pdb=" N HIS J2621 " --> pdb=" O SER J2617 " (cutoff:3.500A) removed outlier: 4.424A pdb=" N LEU J2622 " --> pdb=" O MET J2618 " (cutoff:3.500A) removed outlier: 3.649A pdb=" N VAL J2627 " --> pdb=" O LEU J2623 " (cutoff:3.500A) removed outlier: 4.038A pdb=" N PHE J2628 " --> pdb=" O ARG J2624 " (cutoff:3.500A) removed outlier: 3.928A pdb=" N ASP J2629 " --> pdb=" O ARG J2625 " (cutoff:3.500A) Proline residue: J2631 - end of helix removed outlier: 5.103A pdb=" N ASN J2634 " --> pdb=" O VAL J2630 " (cutoff:3.500A) Processing helix chain 'J' and resid 2748 through 2774 removed outlier: 3.586A pdb=" N ASP J2752 " --> pdb=" O PRO J2748 " (cutoff:3.500A) removed outlier: 4.138A pdb=" N SER J2753 " --> pdb=" O GLU J2749 " (cutoff:3.500A) removed outlier: 4.028A pdb=" N ASN J2756 " --> pdb=" O ASP J2752 " (cutoff:3.500A) removed outlier: 4.131A pdb=" N GLN J2772 " --> pdb=" O PHE J2768 " (cutoff:3.500A) removed outlier: 4.202A pdb=" N ASN J2773 " --> pdb=" O ASP J2769 " (cutoff:3.500A) removed outlier: 3.828A pdb=" N ASN J2774 " --> pdb=" O LYS J2770 " (cutoff:3.500A) Processing helix chain 'J' and resid 2793 through 2798 removed outlier: 3.784A pdb=" N PHE J2797 " --> pdb=" O PRO J2793 " (cutoff:3.500A) removed outlier: 6.001A pdb=" N SER J2798 " --> pdb=" O TYR J2794 " (cutoff:3.500A) No H-bonds generated for 'chain 'J' and resid 2793 through 2798' Processing helix chain 'J' and resid 2799 through 2820 removed outlier: 3.894A pdb=" N GLU J2803 " --> pdb=" O GLU J2799 " (cutoff:3.500A) removed outlier: 6.027A pdb=" N ILE J2804 " --> pdb=" O LYS J2800 " (cutoff:3.500A) removed outlier: 5.573A pdb=" N TYR J2805 " --> pdb=" O ASP J2801 " (cutoff:3.500A) removed outlier: 4.550A pdb=" N TRP J2807 " --> pdb=" O GLU J2803 " (cutoff:3.500A) Proline residue: J2808 - end of helix removed outlier: 4.210A pdb=" N SER J2812 " --> pdb=" O PRO J2808 " (cutoff:3.500A) removed outlier: 3.940A pdb=" N LEU J2813 " --> pdb=" O ILE J2809 " (cutoff:3.500A) Processing helix chain 'J' and resid 2868 through 2896 removed outlier: 4.224A pdb=" N ALA J2873 " --> pdb=" O ARG J2869 " (cutoff:3.500A) removed outlier: 3.611A pdb=" N GLU J2876 " --> pdb=" O GLN J2872 " (cutoff:3.500A) Processing helix chain 'J' and resid 2913 through 2933 removed outlier: 3.977A pdb=" N ARG J2918 " --> pdb=" O LYS J2914 " (cutoff:3.500A) removed outlier: 4.102A pdb=" N GLU J2921 " --> pdb=" O ALA J2917 " (cutoff:3.500A) removed outlier: 4.049A pdb=" N LYS J2922 " --> pdb=" O ARG J2918 " (cutoff:3.500A) removed outlier: 3.759A pdb=" N ALA J2923 " --> pdb=" O ASP J2919 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N MET J2932 " --> pdb=" O LYS J2928 " (cutoff:3.500A) removed outlier: 5.417A pdb=" N ASN J2933 " --> pdb=" O PHE J2929 " (cutoff:3.500A) Processing helix chain 'J' and resid 3625 through 3638 removed outlier: 3.658A pdb=" N ARG J3630 " --> pdb=" O LYS J3626 " (cutoff:3.500A) removed outlier: 3.537A pdb=" N VAL J3633 " --> pdb=" O ARG J3629 " (cutoff:3.500A) removed outlier: 4.809A pdb=" N PHE J3636 " --> pdb=" O VAL J3632 " (cutoff:3.500A) removed outlier: 4.405A pdb=" N ARG J3637 " --> pdb=" O VAL J3633 " (cutoff:3.500A) removed outlier: 3.939A pdb=" N MET J3638 " --> pdb=" O ALA J3634 " (cutoff:3.500A) Processing helix chain 'J' and resid 3640 through 3645 removed outlier: 3.619A pdb=" N LEU J3644 " --> pdb=" O PRO J3640 " (cutoff:3.500A) Proline residue: J3645 - end of helix No H-bonds generated for 'chain 'J' and resid 3640 through 3645' Processing helix chain 'J' and resid 3646 through 3665 removed outlier: 4.952A pdb=" N LEU J3663 " --> pdb=" O ALA J3659 " (cutoff:3.500A) removed outlier: 4.882A pdb=" N THR J3664 " --> pdb=" O ALA J3660 " (cutoff:3.500A) Processing helix chain 'J' and resid 3668 through 3682 removed outlier: 4.294A pdb=" N ARG J3672 " --> pdb=" O SER J3668 " (cutoff:3.500A) removed outlier: 3.768A pdb=" N ILE J3674 " --> pdb=" O GLU J3670 " (cutoff:3.500A) removed outlier: 3.523A pdb=" N ASP J3676 " --> pdb=" O ARG J3672 " (cutoff:3.500A) removed outlier: 4.100A pdb=" N GLY J3681 " --> pdb=" O LEU J3677 " (cutoff:3.500A) removed outlier: 5.119A pdb=" N GLU J3682 " --> pdb=" O SER J3678 " (cutoff:3.500A) Processing helix chain 'J' and resid 3696 through 3711 removed outlier: 3.876A pdb=" N ALA J3709 " --> pdb=" O PHE J3705 " (cutoff:3.500A) removed outlier: 3.831A pdb=" N LEU J3710 " --> pdb=" O SER J3706 " (cutoff:3.500A) removed outlier: 3.902A pdb=" N THR J3711 " --> pdb=" O ARG J3707 " (cutoff:3.500A) Processing helix chain 'J' and resid 3719 through 3735 removed outlier: 3.503A pdb=" N ASP J3727 " --> pdb=" O MET J3723 " (cutoff:3.500A) removed outlier: 3.859A pdb=" N ILE J3728 " --> pdb=" O ALA J3724 " (cutoff:3.500A) removed outlier: 3.845A pdb=" N CYS J3733 " --> pdb=" O MET J3729 " (cutoff:3.500A) removed outlier: 3.931A pdb=" N LEU J3735 " --> pdb=" O LYS J3731 " (cutoff:3.500A) Processing helix chain 'J' and resid 3752 through 3772 removed outlier: 3.856A pdb=" N LYS J3756 " --> pdb=" O SER J3752 " (cutoff:3.500A) removed outlier: 3.738A pdb=" N THR J3772 " --> pdb=" O SER J3768 " (cutoff:3.500A) Processing helix chain 'J' and resid 3774 through 3787 removed outlier: 3.602A pdb=" N MET J3778 " --> pdb=" O GLY J3774 " (cutoff:3.500A) removed outlier: 3.895A pdb=" N LEU J3780 " --> pdb=" O ALA J3776 " (cutoff:3.500A) removed outlier: 3.672A pdb=" N MET J3782 " --> pdb=" O MET J3778 " (cutoff:3.500A) removed outlier: 4.127A pdb=" N LYS J3787 " --> pdb=" O ILE J3783 " (cutoff:3.500A) Processing helix chain 'J' and resid 3791 through 3806 removed outlier: 4.252A pdb=" N SER J3795 " --> pdb=" O GLY J3791 " (cutoff:3.500A) removed outlier: 3.759A pdb=" N SER J3796 " --> pdb=" O ALA J3792 " (cutoff:3.500A) removed outlier: 3.616A pdb=" N LYS J3799 " --> pdb=" O SER J3795 " (cutoff:3.500A) Processing helix chain 'J' and resid 3809 through 3824 removed outlier: 4.193A pdb=" N GLN J3813 " --> pdb=" O ASN J3809 " (cutoff:3.500A) removed outlier: 3.890A pdb=" N TYR J3819 " --> pdb=" O LYS J3815 " (cutoff:3.500A) removed outlier: 3.610A pdb=" N LYS J3824 " --> pdb=" O LEU J3820 " (cutoff:3.500A) Processing helix chain 'J' and resid 3826 through 3839 removed outlier: 6.682A pdb=" N GLN J3830 " --> pdb=" O VAL J3826 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N SER J3831 " --> pdb=" O GLY J3827 " (cutoff:3.500A) removed outlier: 3.535A pdb=" N ILE J3832 " --> pdb=" O PHE J3828 " (cutoff:3.500A) removed outlier: 3.521A pdb=" N THR J3838 " --> pdb=" O ALA J3834 " (cutoff:3.500A) removed outlier: 4.549A pdb=" N CYS J3839 " --> pdb=" O LEU J3835 " (cutoff:3.500A) Processing helix chain 'J' and resid 3843 through 3856 removed outlier: 4.220A pdb=" N PHE J3847 " --> pdb=" O ASP J3843 " (cutoff:3.500A) removed outlier: 5.283A pdb=" N GLU J3848 " --> pdb=" O LEU J3844 " (cutoff:3.500A) removed outlier: 3.989A pdb=" N ARG J3849 " --> pdb=" O ASN J3845 " (cutoff:3.500A) removed outlier: 3.909A pdb=" N GLY J3855 " --> pdb=" O ASN J3851 " (cutoff:3.500A) removed outlier: 4.525A pdb=" N LEU J3856 " --> pdb=" O LYS J3852 " (cutoff:3.500A) Processing helix chain 'J' and resid 3866 through 3871 removed outlier: 4.005A pdb=" N ASN J3870 " --> pdb=" O ILE J3866 " (cutoff:3.500A) Processing helix chain 'J' and resid 3877 through 3893 removed outlier: 3.886A pdb=" N PHE J3885 " --> pdb=" O THR J3881 " (cutoff:3.500A) removed outlier: 4.265A pdb=" N CYS J3892 " --> pdb=" O LEU J3888 " (cutoff:3.500A) Processing helix chain 'J' and resid 3896 through 3905 removed outlier: 4.058A pdb=" N GLN J3900 " --> pdb=" O ASN J3896 " (cutoff:3.500A) removed outlier: 3.567A pdb=" N ARG J3904 " --> pdb=" O GLN J3900 " (cutoff:3.500A) Processing helix chain 'J' and resid 3914 through 3938 removed outlier: 3.655A pdb=" N CYS J3918 " --> pdb=" O ASN J3914 " (cutoff:3.500A) Processing helix chain 'J' and resid 3944 through 3970 removed outlier: 3.651A pdb=" N VAL J3957 " --> pdb=" O LYS J3953 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N GLU J3967 " --> pdb=" O ASN J3963 " (cutoff:3.500A) removed outlier: 3.658A pdb=" N TYR J3968 " --> pdb=" O SER J3964 " (cutoff:3.500A) Processing helix chain 'J' and resid 3973 through 3984 removed outlier: 3.963A pdb=" N GLN J3977 " --> pdb=" O CYS J3973 " (cutoff:3.500A) removed outlier: 5.264A pdb=" N ARG J3984 " --> pdb=" O LEU J3980 " (cutoff:3.500A) Processing helix chain 'J' and resid 3985 through 4004 removed outlier: 3.507A pdb=" N HIS J3998 " --> pdb=" O HIS J3994 " (cutoff:3.500A) removed outlier: 3.948A pdb=" N MET J4001 " --> pdb=" O ALA J3997 " (cutoff:3.500A) Processing helix chain 'J' and resid 4009 through 4032 removed outlier: 3.680A pdb=" N LEU J4013 " --> pdb=" O GLN J4009 " (cutoff:3.500A) removed outlier: 3.613A pdb=" N LEU J4031 " --> pdb=" O LEU J4027 " (cutoff:3.500A) removed outlier: 3.816A pdb=" N GLU J4032 " --> pdb=" O LEU J4028 " (cutoff:3.500A) Processing helix chain 'J' and resid 4038 through 4052 removed outlier: 3.655A pdb=" N ARG J4042 " --> pdb=" O GLY J4038 " (cutoff:3.500A) removed outlier: 3.665A pdb=" N MET J4047 " --> pdb=" O GLN J4043 " (cutoff:3.500A) Processing helix chain 'J' and resid 4053 through 4072 removed outlier: 3.508A pdb=" N MET J4057 " --> pdb=" O SER J4053 " (cutoff:3.500A) removed outlier: 3.754A pdb=" N LEU J4066 " --> pdb=" O PHE J4062 " (cutoff:3.500A) removed outlier: 3.719A pdb=" N LEU J4068 " --> pdb=" O MET J4064 " (cutoff:3.500A) removed outlier: 4.839A pdb=" N LYS J4069 " --> pdb=" O PHE J4065 " (cutoff:3.500A) removed outlier: 4.006A pdb=" N ASP J4070 " --> pdb=" O LEU J4066 " (cutoff:3.500A) Processing helix chain 'J' and resid 4074 through 4082 removed outlier: 3.732A pdb=" N GLN J4078 " --> pdb=" O SER J4074 " (cutoff:3.500A) removed outlier: 3.895A pdb=" N VAL J4081 " --> pdb=" O PHE J4077 " (cutoff:3.500A) removed outlier: 5.558A pdb=" N THR J4082 " --> pdb=" O GLN J4078 " (cutoff:3.500A) Processing helix chain 'J' and resid 4089 through 4101 removed outlier: 3.877A pdb=" N PHE J4093 " --> pdb=" O SER J4089 " (cutoff:3.500A) removed outlier: 3.708A pdb=" N GLN J4100 " --> pdb=" O ALA J4096 " (cutoff:3.500A) removed outlier: 5.393A pdb=" N LYS J4101 " --> pdb=" O MET J4097 " (cutoff:3.500A) Processing helix chain 'J' and resid 4104 through 4116 removed outlier: 3.502A pdb=" N ILE J4108 " --> pdb=" O THR J4104 " (cutoff:3.500A) removed outlier: 4.005A pdb=" N GLN J4109 " --> pdb=" O GLY J4105 " (cutoff:3.500A) removed outlier: 3.559A pdb=" N PHE J4110 " --> pdb=" O PRO J4106 " (cutoff:3.500A) removed outlier: 5.215A pdb=" N GLU J4116 " --> pdb=" O LEU J4112 " (cutoff:3.500A) Processing helix chain 'J' and resid 4124 through 4137 removed outlier: 3.571A pdb=" N ASN J4130 " --> pdb=" O GLU J4126 " (cutoff:3.500A) removed outlier: 4.820A pdb=" N PHE J4132 " --> pdb=" O PHE J4128 " (cutoff:3.500A) removed outlier: 4.280A pdb=" N GLN J4133 " --> pdb=" O ALA J4129 " (cutoff:3.500A) removed outlier: 4.486A pdb=" N GLU J4134 " --> pdb=" O ASN J4130 " (cutoff:3.500A) Proline residue: J4135 - end of helix Processing helix chain 'J' and resid 4138 through 4154 removed outlier: 3.662A pdb=" N ALA J4144 " --> pdb=" O GLY J4140 " (cutoff:3.500A) Processing helix chain 'J' and resid 4157 through 4168 removed outlier: 3.796A pdb=" N GLU J4165 " --> pdb=" O ARG J4161 " (cutoff:3.500A) Processing helix chain 'J' and resid 4169 through 4175 removed outlier: 3.774A pdb=" N PHE J4174 " --> pdb=" O ILE J4170 " (cutoff:3.500A) Processing helix chain 'J' and resid 4198 through 4207 removed outlier: 3.641A pdb=" N ARG J4202 " --> pdb=" O SER J4198 " (cutoff:3.500A) removed outlier: 4.658A pdb=" N MET J4207 " --> pdb=" O ALA J4203 " (cutoff:3.500A) Processing helix chain 'J' and resid 4208 through 4224 removed outlier: 3.793A pdb=" N SER J4213 " --> pdb=" O GLN J4209 " (cutoff:3.500A) removed outlier: 3.535A pdb=" N PHE J4219 " --> pdb=" O ARG J4215 " (cutoff:3.500A) removed outlier: 3.504A pdb=" N VAL J4221 " --> pdb=" O PHE J4217 " (cutoff:3.500A) removed outlier: 3.558A pdb=" N VAL J4222 " --> pdb=" O ILE J4218 " (cutoff:3.500A) removed outlier: 4.073A pdb=" N GLU J4224 " --> pdb=" O ASP J4220 " (cutoff:3.500A) Processing helix chain 'J' and resid 4227 through 4252 removed outlier: 4.943A pdb=" N MET J4231 " --> pdb=" O GLU J4227 " (cutoff:3.500A) removed outlier: 4.462A pdb=" N GLU J4232 " --> pdb=" O ALA J4228 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N ASP J4240 " --> pdb=" O SER J4236 " (cutoff:3.500A) Processing helix chain 'J' and resid 4541 through 4559 removed outlier: 3.848A pdb=" N ASN J4558 " --> pdb=" O TYR J4554 " (cutoff:3.500A) Processing helix chain 'J' and resid 4560 through 4579 removed outlier: 3.607A pdb=" N ASN J4574 " --> pdb=" O ALA J4570 " (cutoff:3.500A) removed outlier: 3.520A pdb=" N LEU J4577 " --> pdb=" O ILE J4573 " (cutoff:3.500A) removed outlier: 4.114A pdb=" N LEU J4578 " --> pdb=" O ASN J4574 " (cutoff:3.500A) removed outlier: 5.148A pdb=" N PHE J4579 " --> pdb=" O PHE J4575 " (cutoff:3.500A) Processing helix chain 'J' and resid 4639 through 4683 removed outlier: 3.747A pdb=" N LEU J4648 " --> pdb=" O TRP J4644 " (cutoff:3.500A) removed outlier: 3.540A pdb=" N LYS J4665 " --> pdb=" O TYR J4661 " (cutoff:3.500A) removed outlier: 5.470A pdb=" N VAL J4666 " --> pdb=" O ASN J4662 " (cutoff:3.500A) Proline residue: J4667 - end of helix removed outlier: 3.567A pdb=" N ILE J4670 " --> pdb=" O VAL J4666 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N ARG J4673 " --> pdb=" O VAL J4669 " (cutoff:3.500A) removed outlier: 3.560A pdb=" N ALA J4678 " --> pdb=" O GLU J4674 " (cutoff:3.500A) Processing helix chain 'J' and resid 4696 through 4709 removed outlier: 3.931A pdb=" N GLN J4700 " --> pdb=" O ASP J4696 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N ASP J4702 " --> pdb=" O LYS J4698 " (cutoff:3.500A) removed outlier: 4.121A pdb=" N ARG J4703 " --> pdb=" O GLY J4699 " (cutoff:3.500A) removed outlier: 4.799A pdb=" N LEU J4704 " --> pdb=" O GLN J4700 " (cutoff:3.500A) removed outlier: 5.008A pdb=" N VAL J4705 " --> pdb=" O TRP J4701 " (cutoff:3.500A) removed outlier: 4.237A pdb=" N LEU J4706 " --> pdb=" O ASP J4702 " (cutoff:3.500A) removed outlier: 4.803A pdb=" N ASN J4707 " --> pdb=" O ARG J4703 " (cutoff:3.500A) removed outlier: 4.975A pdb=" N THR J4708 " --> pdb=" O LEU J4704 " (cutoff:3.500A) Proline residue: J4709 - end of helix Processing helix chain 'J' and resid 4719 through 4729 Processing helix chain 'J' and resid 4733 through 4742 Processing helix chain 'J' and resid 4745 through 4756 removed outlier: 3.930A pdb=" N ILE J4750 " --> pdb=" O ALA J4746 " (cutoff:3.500A) removed outlier: 4.700A pdb=" N THR J4751 " --> pdb=" O SER J4747 " (cutoff:3.500A) Processing helix chain 'J' and resid 4766 through 4772 removed outlier: 5.530A pdb=" N ASP J4772 " --> pdb=" O LEU J4768 " (cutoff:3.500A) Processing helix chain 'J' and resid 4773 through 4787 removed outlier: 3.887A pdb=" N PHE J4784 " --> pdb=" O PHE J4780 " (cutoff:3.500A) removed outlier: 5.682A pdb=" N ASN J4787 " --> pdb=" O ILE J4783 " (cutoff:3.500A) Processing helix chain 'J' and resid 4788 through 4805 removed outlier: 4.116A pdb=" N HIS J4803 " --> pdb=" O SER J4799 " (cutoff:3.500A) removed outlier: 4.415A pdb=" N TYR J4804 " --> pdb=" O LEU J4800 " (cutoff:3.500A) Processing helix chain 'J' and resid 4806 through 4819 removed outlier: 5.070A pdb=" N ALA J4810 " --> pdb=" O ASN J4806 " (cutoff:3.500A) removed outlier: 5.381A pdb=" N ALA J4811 " --> pdb=" O PHE J4807 " (cutoff:3.500A) removed outlier: 5.189A pdb=" N HIS J4812 " --> pdb=" O PHE J4808 " (cutoff:3.500A) removed outlier: 4.559A pdb=" N LEU J4813 " --> pdb=" O PHE J4809 " (cutoff:3.500A) removed outlier: 4.388A pdb=" N LEU J4814 " --> pdb=" O ALA J4810 " (cutoff:3.500A) removed outlier: 4.485A pdb=" N ASP J4815 " --> pdb=" O ALA J4811 " (cutoff:3.500A) removed outlier: 5.088A pdb=" N ILE J4816 " --> pdb=" O HIS J4812 " (cutoff:3.500A) removed outlier: 5.084A pdb=" N ALA J4817 " --> pdb=" O LEU J4813 " (cutoff:3.500A) removed outlier: 3.838A pdb=" N MET J4818 " --> pdb=" O LEU J4814 " (cutoff:3.500A) Processing helix chain 'J' and resid 4821 through 4832 removed outlier: 3.687A pdb=" N THR J4825 " --> pdb=" O LYS J4821 " (cutoff:3.500A) removed outlier: 4.180A pdb=" N ILE J4826 " --> pdb=" O THR J4822 " (cutoff:3.500A) removed outlier: 3.724A pdb=" N LEU J4827 " --> pdb=" O LEU J4823 " (cutoff:3.500A) removed outlier: 4.131A pdb=" N VAL J4830 " --> pdb=" O ILE J4826 " (cutoff:3.500A) removed outlier: 4.194A pdb=" N THR J4831 " --> pdb=" O LEU J4827 " (cutoff:3.500A) Processing helix chain 'J' and resid 4833 through 4858 removed outlier: 3.673A pdb=" N MET J4839 " --> pdb=" O LYS J4835 " (cutoff:3.500A) removed outlier: 3.537A pdb=" N THR J4840 " --> pdb=" O GLN J4836 " (cutoff:3.500A) removed outlier: 3.825A pdb=" N VAL J4854 " --> pdb=" O LEU J4850 " (cutoff:3.500A) Processing helix chain 'J' and resid 4878 through 4893 removed outlier: 4.848A pdb=" N VAL J4891 " --> pdb=" O MET J4887 " (cutoff:3.500A) removed outlier: 4.527A pdb=" N ARG J4892 " --> pdb=" O TYR J4888 " (cutoff:3.500A) Processing helix chain 'J' and resid 4897 through 4902 removed outlier: 4.003A pdb=" N ILE J4901 " --> pdb=" O ILE J4897 " (cutoff:3.500A) removed outlier: 5.338A pdb=" N GLU J4902 " --> pdb=" O GLY J4898 " (cutoff:3.500A) No H-bonds generated for 'chain 'J' and resid 4897 through 4902' Processing helix chain 'J' and resid 4909 through 4925 removed outlier: 3.647A pdb=" N ARG J4913 " --> pdb=" O TYR J4909 " (cutoff:3.500A) removed outlier: 3.694A pdb=" N VAL J4914 " --> pdb=" O GLU J4910 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N VAL J4915 " --> pdb=" O LEU J4911 " (cutoff:3.500A) removed outlier: 4.136A pdb=" N ILE J4918 " --> pdb=" O VAL J4914 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N PHE J4923 " --> pdb=" O THR J4919 " (cutoff:3.500A) removed outlier: 3.844A pdb=" N ILE J4925 " --> pdb=" O PHE J4921 " (cutoff:3.500A) Processing helix chain 'J' and resid 4928 through 4957 removed outlier: 3.541A pdb=" N GLN J4933 " --> pdb=" O LEU J4929 " (cutoff:3.500A) removed outlier: 3.583A pdb=" N ILE J4937 " --> pdb=" O GLN J4933 " (cutoff:3.500A) removed outlier: 4.581A pdb=" N ASP J4938 " --> pdb=" O GLY J4934 " (cutoff:3.500A) removed outlier: 3.531A pdb=" N ALA J4939 " --> pdb=" O LEU J4935 " (cutoff:3.500A) removed outlier: 3.902A pdb=" N LYS J4951 " --> pdb=" O GLN J4947 " (cutoff:3.500A) Processing helix chain 'J' and resid 4964 through 4970 removed outlier: 4.444A pdb=" N PHE J4968 " --> pdb=" O GLY J4964 " (cutoff:3.500A) removed outlier: 3.963A pdb=" N ASP J4969 " --> pdb=" O SER J4965 " (cutoff:3.500A) removed outlier: 5.263A pdb=" N THR J4970 " --> pdb=" O ASP J4966 " (cutoff:3.500A) No H-bonds generated for 'chain 'J' and resid 4964 through 4970' Processing helix chain 'J' and resid 4973 through 4981 removed outlier: 3.547A pdb=" N GLU J4981 " --> pdb=" O THR J4977 " (cutoff:3.500A) Processing helix chain 'J' and resid 4984 through 4999 removed outlier: 3.571A pdb=" N MET J4989 " --> pdb=" O LEU J4985 " (cutoff:3.500A) removed outlier: 3.537A pdb=" N LEU J4992 " --> pdb=" O TYR J4988 " (cutoff:3.500A) removed outlier: 5.770A pdb=" N ASP J4999 " --> pdb=" O LEU J4995 " (cutoff:3.500A) Processing helix chain 'J' and resid 5004 through 5017 removed outlier: 3.776A pdb=" N GLU J5016 " --> pdb=" O LYS J5012 " (cutoff:3.500A) Processing helix chain 'J' and resid 502 through 507 removed outlier: 4.181A pdb=" N TYR J 506 " --> pdb=" O PHE J 503 " (cutoff:3.500A) removed outlier: 3.759A pdb=" N ALA J 507 " --> pdb=" O ALA J 504 " (cutoff:3.500A) Processing helix chain 'J' and resid 810 through 815 removed outlier: 3.536A pdb=" N GLU J 813 " --> pdb=" O PRO J 810 " (cutoff:3.500A) removed outlier: 3.833A pdb=" N ALA J 814 " --> pdb=" O CYS J 811 " (cutoff:3.500A) removed outlier: 4.129A pdb=" N VAL J 815 " --> pdb=" O HIS J 812 " (cutoff:3.500A) No H-bonds generated for 'chain 'J' and resid 810 through 815' Processing helix chain 'J' and resid 4685 through 4690 removed outlier: 3.748A pdb=" N GLU J4690 " --> pdb=" O GLY J4685 " (cutoff:3.500A) No H-bonds generated for 'chain 'J' and resid 4685 through 4690' Processing helix chain 'B' and resid 38 through 43 removed outlier: 5.038A pdb=" N ARG B 42 " --> pdb=" O SER B 38 " (cutoff:3.500A) removed outlier: 3.958A pdb=" N ASN B 43 " --> pdb=" O SER B 39 " (cutoff:3.500A) No H-bonds generated for 'chain 'B' and resid 38 through 43' Processing helix chain 'B' and resid 56 through 67 removed outlier: 4.373A pdb=" N GLN B 65 " --> pdb=" O GLU B 61 " (cutoff:3.500A) removed outlier: 4.397A pdb=" N MET B 66 " --> pdb=" O GLY B 62 " (cutoff:3.500A) removed outlier: 5.816A pdb=" N SER B 67 " --> pdb=" O ALA B 63 " (cutoff:3.500A) Processing helix chain 'B' and resid 77 through 82 removed outlier: 3.598A pdb=" N ALA B 81 " --> pdb=" O THR B 77 " (cutoff:3.500A) removed outlier: 4.466A pdb=" N TYR B 82 " --> pdb=" O PRO B 78 " (cutoff:3.500A) No H-bonds generated for 'chain 'B' and resid 77 through 82' Processing helix chain 'E' and resid 38 through 43 removed outlier: 5.038A pdb=" N ARG E 42 " --> pdb=" O SER E 38 " (cutoff:3.500A) removed outlier: 3.958A pdb=" N ASN E 43 " --> pdb=" O SER E 39 " (cutoff:3.500A) No H-bonds generated for 'chain 'E' and resid 38 through 43' Processing helix chain 'E' and resid 56 through 67 removed outlier: 4.373A pdb=" N GLN E 65 " --> pdb=" O GLU E 61 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N MET E 66 " --> pdb=" O GLY E 62 " (cutoff:3.500A) removed outlier: 5.816A pdb=" N SER E 67 " --> pdb=" O ALA E 63 " (cutoff:3.500A) Processing helix chain 'E' and resid 77 through 82 removed outlier: 3.598A pdb=" N ALA E 81 " --> pdb=" O THR E 77 " (cutoff:3.500A) removed outlier: 4.467A pdb=" N TYR E 82 " --> pdb=" O PRO E 78 " (cutoff:3.500A) No H-bonds generated for 'chain 'E' and resid 77 through 82' Processing helix chain 'H' and resid 38 through 43 removed outlier: 5.038A pdb=" N ARG H 42 " --> pdb=" O SER H 38 " (cutoff:3.500A) removed outlier: 3.958A pdb=" N ASN H 43 " --> pdb=" O SER H 39 " (cutoff:3.500A) No H-bonds generated for 'chain 'H' and resid 38 through 43' Processing helix chain 'H' and resid 56 through 67 removed outlier: 4.372A pdb=" N GLN H 65 " --> pdb=" O GLU H 61 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N MET H 66 " --> pdb=" O GLY H 62 " (cutoff:3.500A) removed outlier: 5.816A pdb=" N SER H 67 " --> pdb=" O ALA H 63 " (cutoff:3.500A) Processing helix chain 'H' and resid 77 through 82 removed outlier: 3.598A pdb=" N ALA H 81 " --> pdb=" O THR H 77 " (cutoff:3.500A) removed outlier: 4.467A pdb=" N TYR H 82 " --> pdb=" O PRO H 78 " (cutoff:3.500A) No H-bonds generated for 'chain 'H' and resid 77 through 82' Processing helix chain 'K' and resid 38 through 43 removed outlier: 5.038A pdb=" N ARG K 42 " --> pdb=" O SER K 38 " (cutoff:3.500A) removed outlier: 3.958A pdb=" N ASN K 43 " --> pdb=" O SER K 39 " (cutoff:3.500A) No H-bonds generated for 'chain 'K' and resid 38 through 43' Processing helix chain 'K' and resid 56 through 67 removed outlier: 4.373A pdb=" N GLN K 65 " --> pdb=" O GLU K 61 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N MET K 66 " --> pdb=" O GLY K 62 " (cutoff:3.500A) removed outlier: 5.816A pdb=" N SER K 67 " --> pdb=" O ALA K 63 " (cutoff:3.500A) Processing helix chain 'K' and resid 77 through 82 removed outlier: 3.596A pdb=" N ALA K 81 " --> pdb=" O THR K 77 " (cutoff:3.500A) removed outlier: 4.467A pdb=" N TYR K 82 " --> pdb=" O PRO K 78 " (cutoff:3.500A) No H-bonds generated for 'chain 'K' and resid 77 through 82' Processing helix chain 'C' and resid 6 through 21 removed outlier: 3.925A pdb=" N ILE C 10 " --> pdb=" O THR C 6 " (cutoff:3.500A) removed outlier: 3.643A pdb=" N PHE C 20 " --> pdb=" O ALA C 16 " (cutoff:3.500A) Processing helix chain 'C' and resid 29 through 41 removed outlier: 4.544A pdb=" N GLY C 34 " --> pdb=" O THR C 30 " (cutoff:3.500A) removed outlier: 4.450A pdb=" N LEU C 40 " --> pdb=" O VAL C 36 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N GLY C 41 " --> pdb=" O MET C 37 " (cutoff:3.500A) Processing helix chain 'C' and resid 45 through 56 removed outlier: 3.819A pdb=" N LEU C 49 " --> pdb=" O THR C 45 " (cutoff:3.500A) removed outlier: 4.114A pdb=" N MET C 52 " --> pdb=" O GLU C 48 " (cutoff:3.500A) removed outlier: 3.636A pdb=" N ILE C 53 " --> pdb=" O LEU C 49 " (cutoff:3.500A) removed outlier: 4.135A pdb=" N ASN C 54 " --> pdb=" O GLN C 50 " (cutoff:3.500A) Processing helix chain 'C' and resid 65 through 82 removed outlier: 3.711A pdb=" N ASP C 79 " --> pdb=" O ARG C 75 " (cutoff:3.500A) removed outlier: 4.796A pdb=" N THR C 80 " --> pdb=" O LYS C 76 " (cutoff:3.500A) Processing helix chain 'C' and resid 84 through 95 removed outlier: 4.259A pdb=" N GLU C 88 " --> pdb=" O GLU C 84 " (cutoff:3.500A) removed outlier: 4.579A pdb=" N VAL C 92 " --> pdb=" O GLU C 88 " (cutoff:3.500A) removed outlier: 5.127A pdb=" N PHE C 93 " --> pdb=" O ALA C 89 " (cutoff:3.500A) removed outlier: 3.929A pdb=" N ASP C 94 " --> pdb=" O PHE C 90 " (cutoff:3.500A) removed outlier: 5.145A pdb=" N LYS C 95 " --> pdb=" O ARG C 91 " (cutoff:3.500A) Processing helix chain 'C' and resid 102 through 110 removed outlier: 3.612A pdb=" N LEU C 106 " --> pdb=" O SER C 102 " (cutoff:3.500A) removed outlier: 4.294A pdb=" N ARG C 107 " --> pdb=" O ALA C 103 " (cutoff:3.500A) removed outlier: 5.061A pdb=" N HIS C 108 " --> pdb=" O ALA C 104 " (cutoff:3.500A) removed outlier: 3.998A pdb=" N VAL C 109 " --> pdb=" O ALA C 105 " (cutoff:3.500A) removed outlier: 3.624A pdb=" N MET C 110 " --> pdb=" O LEU C 106 " (cutoff:3.500A) No H-bonds generated for 'chain 'C' and resid 102 through 110' Processing helix chain 'C' and resid 118 through 129 removed outlier: 4.128A pdb=" N VAL C 122 " --> pdb=" O THR C 118 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N ASP C 123 " --> pdb=" O ASP C 119 " (cutoff:3.500A) removed outlier: 3.693A pdb=" N ARG C 127 " --> pdb=" O ASP C 123 " (cutoff:3.500A) removed outlier: 4.028A pdb=" N ALA C 129 " --> pdb=" O MET C 125 " (cutoff:3.500A) Processing helix chain 'C' and resid 138 through 148 removed outlier: 3.870A pdb=" N PHE C 142 " --> pdb=" O ASN C 138 " (cutoff:3.500A) removed outlier: 3.670A pdb=" N VAL C 143 " --> pdb=" O TYR C 139 " (cutoff:3.500A) removed outlier: 3.722A pdb=" N ALA C 148 " --> pdb=" O GLN C 144 " (cutoff:3.500A) Processing helix chain 'F' and resid 6 through 21 removed outlier: 3.924A pdb=" N ILE F 10 " --> pdb=" O THR F 6 " (cutoff:3.500A) removed outlier: 3.643A pdb=" N PHE F 20 " --> pdb=" O ALA F 16 " (cutoff:3.500A) Processing helix chain 'F' and resid 29 through 41 removed outlier: 4.545A pdb=" N GLY F 34 " --> pdb=" O THR F 30 " (cutoff:3.500A) removed outlier: 4.450A pdb=" N LEU F 40 " --> pdb=" O VAL F 36 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N GLY F 41 " --> pdb=" O MET F 37 " (cutoff:3.500A) Processing helix chain 'F' and resid 45 through 56 removed outlier: 3.819A pdb=" N LEU F 49 " --> pdb=" O THR F 45 " (cutoff:3.500A) removed outlier: 4.113A pdb=" N MET F 52 " --> pdb=" O GLU F 48 " (cutoff:3.500A) removed outlier: 3.636A pdb=" N ILE F 53 " --> pdb=" O LEU F 49 " (cutoff:3.500A) removed outlier: 4.110A pdb=" N ASN F 54 " --> pdb=" O GLN F 50 " (cutoff:3.500A) Processing helix chain 'F' and resid 65 through 82 removed outlier: 3.710A pdb=" N ASP F 79 " --> pdb=" O ARG F 75 " (cutoff:3.500A) removed outlier: 4.797A pdb=" N THR F 80 " --> pdb=" O LYS F 76 " (cutoff:3.500A) Processing helix chain 'F' and resid 84 through 95 removed outlier: 4.259A pdb=" N GLU F 88 " --> pdb=" O GLU F 84 " (cutoff:3.500A) removed outlier: 4.579A pdb=" N VAL F 92 " --> pdb=" O GLU F 88 " (cutoff:3.500A) removed outlier: 5.127A pdb=" N PHE F 93 " --> pdb=" O ALA F 89 " (cutoff:3.500A) removed outlier: 3.928A pdb=" N ASP F 94 " --> pdb=" O PHE F 90 " (cutoff:3.500A) removed outlier: 5.145A pdb=" N LYS F 95 " --> pdb=" O ARG F 91 " (cutoff:3.500A) Processing helix chain 'F' and resid 102 through 110 removed outlier: 3.611A pdb=" N LEU F 106 " --> pdb=" O SER F 102 " (cutoff:3.500A) removed outlier: 4.295A pdb=" N ARG F 107 " --> pdb=" O ALA F 103 " (cutoff:3.500A) removed outlier: 5.061A pdb=" N HIS F 108 " --> pdb=" O ALA F 104 " (cutoff:3.500A) removed outlier: 3.999A pdb=" N VAL F 109 " --> pdb=" O ALA F 105 " (cutoff:3.500A) removed outlier: 3.624A pdb=" N MET F 110 " --> pdb=" O LEU F 106 " (cutoff:3.500A) No H-bonds generated for 'chain 'F' and resid 102 through 110' Processing helix chain 'F' and resid 118 through 129 removed outlier: 4.128A pdb=" N VAL F 122 " --> pdb=" O THR F 118 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N ASP F 123 " --> pdb=" O ASP F 119 " (cutoff:3.500A) removed outlier: 3.693A pdb=" N ARG F 127 " --> pdb=" O ASP F 123 " (cutoff:3.500A) removed outlier: 4.028A pdb=" N ALA F 129 " --> pdb=" O MET F 125 " (cutoff:3.500A) Processing helix chain 'F' and resid 138 through 148 removed outlier: 3.870A pdb=" N PHE F 142 " --> pdb=" O ASN F 138 " (cutoff:3.500A) removed outlier: 3.671A pdb=" N VAL F 143 " --> pdb=" O TYR F 139 " (cutoff:3.500A) removed outlier: 3.721A pdb=" N ALA F 148 " --> pdb=" O GLN F 144 " (cutoff:3.500A) Processing helix chain 'I' and resid 6 through 21 removed outlier: 3.924A pdb=" N ILE I 10 " --> pdb=" O THR I 6 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N PHE I 20 " --> pdb=" O ALA I 16 " (cutoff:3.500A) Processing helix chain 'I' and resid 29 through 41 removed outlier: 4.545A pdb=" N GLY I 34 " --> pdb=" O THR I 30 " (cutoff:3.500A) removed outlier: 4.450A pdb=" N LEU I 40 " --> pdb=" O VAL I 36 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N GLY I 41 " --> pdb=" O MET I 37 " (cutoff:3.500A) Processing helix chain 'I' and resid 45 through 56 removed outlier: 3.821A pdb=" N LEU I 49 " --> pdb=" O THR I 45 " (cutoff:3.500A) removed outlier: 4.114A pdb=" N MET I 52 " --> pdb=" O GLU I 48 " (cutoff:3.500A) removed outlier: 3.637A pdb=" N ILE I 53 " --> pdb=" O LEU I 49 " (cutoff:3.500A) removed outlier: 4.088A pdb=" N ASN I 54 " --> pdb=" O GLN I 50 " (cutoff:3.500A) Processing helix chain 'I' and resid 65 through 82 removed outlier: 3.710A pdb=" N ASP I 79 " --> pdb=" O ARG I 75 " (cutoff:3.500A) removed outlier: 4.796A pdb=" N THR I 80 " --> pdb=" O LYS I 76 " (cutoff:3.500A) Processing helix chain 'I' and resid 84 through 95 removed outlier: 4.259A pdb=" N GLU I 88 " --> pdb=" O GLU I 84 " (cutoff:3.500A) removed outlier: 4.578A pdb=" N VAL I 92 " --> pdb=" O GLU I 88 " (cutoff:3.500A) removed outlier: 5.128A pdb=" N PHE I 93 " --> pdb=" O ALA I 89 " (cutoff:3.500A) removed outlier: 3.929A pdb=" N ASP I 94 " --> pdb=" O PHE I 90 " (cutoff:3.500A) removed outlier: 5.145A pdb=" N LYS I 95 " --> pdb=" O ARG I 91 " (cutoff:3.500A) Processing helix chain 'I' and resid 102 through 110 removed outlier: 3.611A pdb=" N LEU I 106 " --> pdb=" O SER I 102 " (cutoff:3.500A) removed outlier: 4.293A pdb=" N ARG I 107 " --> pdb=" O ALA I 103 " (cutoff:3.500A) removed outlier: 5.061A pdb=" N HIS I 108 " --> pdb=" O ALA I 104 " (cutoff:3.500A) removed outlier: 3.999A pdb=" N VAL I 109 " --> pdb=" O ALA I 105 " (cutoff:3.500A) removed outlier: 3.624A pdb=" N MET I 110 " --> pdb=" O LEU I 106 " (cutoff:3.500A) No H-bonds generated for 'chain 'I' and resid 102 through 110' Processing helix chain 'I' and resid 118 through 129 removed outlier: 4.129A pdb=" N VAL I 122 " --> pdb=" O THR I 118 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N ASP I 123 " --> pdb=" O ASP I 119 " (cutoff:3.500A) removed outlier: 3.692A pdb=" N ARG I 127 " --> pdb=" O ASP I 123 " (cutoff:3.500A) removed outlier: 4.027A pdb=" N ALA I 129 " --> pdb=" O MET I 125 " (cutoff:3.500A) Processing helix chain 'I' and resid 138 through 148 removed outlier: 3.870A pdb=" N PHE I 142 " --> pdb=" O ASN I 138 " (cutoff:3.500A) removed outlier: 3.671A pdb=" N VAL I 143 " --> pdb=" O TYR I 139 " (cutoff:3.500A) removed outlier: 3.721A pdb=" N ALA I 148 " --> pdb=" O GLN I 144 " (cutoff:3.500A) Processing helix chain 'L' and resid 6 through 21 removed outlier: 3.924A pdb=" N ILE L 10 " --> pdb=" O THR L 6 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N PHE L 20 " --> pdb=" O ALA L 16 " (cutoff:3.500A) Processing helix chain 'L' and resid 29 through 41 removed outlier: 4.545A pdb=" N GLY L 34 " --> pdb=" O THR L 30 " (cutoff:3.500A) removed outlier: 4.450A pdb=" N LEU L 40 " --> pdb=" O VAL L 36 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N GLY L 41 " --> pdb=" O MET L 37 " (cutoff:3.500A) Processing helix chain 'L' and resid 45 through 56 removed outlier: 3.820A pdb=" N LEU L 49 " --> pdb=" O THR L 45 " (cutoff:3.500A) removed outlier: 4.114A pdb=" N MET L 52 " --> pdb=" O GLU L 48 " (cutoff:3.500A) removed outlier: 3.637A pdb=" N ILE L 53 " --> pdb=" O LEU L 49 " (cutoff:3.500A) removed outlier: 4.114A pdb=" N ASN L 54 " --> pdb=" O GLN L 50 " (cutoff:3.500A) Processing helix chain 'L' and resid 65 through 82 removed outlier: 3.710A pdb=" N ASP L 79 " --> pdb=" O ARG L 75 " (cutoff:3.500A) removed outlier: 4.797A pdb=" N THR L 80 " --> pdb=" O LYS L 76 " (cutoff:3.500A) Processing helix chain 'L' and resid 84 through 95 removed outlier: 4.259A pdb=" N GLU L 88 " --> pdb=" O GLU L 84 " (cutoff:3.500A) removed outlier: 4.578A pdb=" N VAL L 92 " --> pdb=" O GLU L 88 " (cutoff:3.500A) removed outlier: 5.127A pdb=" N PHE L 93 " --> pdb=" O ALA L 89 " (cutoff:3.500A) removed outlier: 3.929A pdb=" N ASP L 94 " --> pdb=" O PHE L 90 " (cutoff:3.500A) removed outlier: 5.144A pdb=" N LYS L 95 " --> pdb=" O ARG L 91 " (cutoff:3.500A) Processing helix chain 'L' and resid 102 through 110 removed outlier: 3.611A pdb=" N LEU L 106 " --> pdb=" O SER L 102 " (cutoff:3.500A) removed outlier: 4.294A pdb=" N ARG L 107 " --> pdb=" O ALA L 103 " (cutoff:3.500A) removed outlier: 5.061A pdb=" N HIS L 108 " --> pdb=" O ALA L 104 " (cutoff:3.500A) removed outlier: 3.999A pdb=" N VAL L 109 " --> pdb=" O ALA L 105 " (cutoff:3.500A) removed outlier: 3.624A pdb=" N MET L 110 " --> pdb=" O LEU L 106 " (cutoff:3.500A) No H-bonds generated for 'chain 'L' and resid 102 through 110' Processing helix chain 'L' and resid 118 through 129 removed outlier: 4.128A pdb=" N VAL L 122 " --> pdb=" O THR L 118 " (cutoff:3.500A) removed outlier: 3.506A pdb=" N ASP L 123 " --> pdb=" O ASP L 119 " (cutoff:3.500A) removed outlier: 3.693A pdb=" N ARG L 127 " --> pdb=" O ASP L 123 " (cutoff:3.500A) removed outlier: 4.028A pdb=" N ALA L 129 " --> pdb=" O MET L 125 " (cutoff:3.500A) Processing helix chain 'L' and resid 138 through 148 removed outlier: 3.871A pdb=" N PHE L 142 " --> pdb=" O ASN L 138 " (cutoff:3.500A) removed outlier: 3.670A pdb=" N VAL L 143 " --> pdb=" O TYR L 139 " (cutoff:3.500A) removed outlier: 3.722A pdb=" N ALA L 148 " --> pdb=" O GLN L 144 " (cutoff:3.500A) Processing sheet with id= 1, first strand: chain 'A' and resid 47 through 51 removed outlier: 3.524A pdb=" N PHE A 48 " --> pdb=" O ALA A 38 " (cutoff:3.500A) removed outlier: 3.567A pdb=" N ALA A 38 " --> pdb=" O PHE A 48 " (cutoff:3.500A) removed outlier: 3.640A pdb=" N CYS A 36 " --> pdb=" O GLU A 50 " (cutoff:3.500A) removed outlier: 3.522A pdb=" N LEU A 35 " --> pdb=" O CYS A 24 " (cutoff:3.500A) removed outlier: 5.027A pdb=" N LEU A 22 " --> pdb=" O LEU A 37 " (cutoff:3.500A) removed outlier: 9.755A pdb=" N ALA A 39 " --> pdb=" O VAL A 20 " (cutoff:3.500A) removed outlier: 13.113A pdb=" N VAL A 20 " --> pdb=" O ALA A 39 " (cutoff:3.500A) removed outlier: 4.529A pdb=" N ASN A 203 " --> pdb=" O VAL A 21 " (cutoff:3.500A) Processing sheet with id= 2, first strand: chain 'A' and resid 148 through 152 No H-bonds generated for sheet with id= 2 Processing sheet with id= 3, first strand: chain 'A' and resid 220 through 224 removed outlier: 3.685A pdb=" N THR A 391 " --> pdb=" O ARG A 221 " (cutoff:3.500A) Processing sheet with id= 4, first strand: chain 'A' and resid 230 through 233 removed outlier: 3.585A pdb=" N GLU A 248 " --> pdb=" O CYS A 230 " (cutoff:3.500A) removed outlier: 5.558A pdb=" N VAL A 245 " --> pdb=" O ALA A 376 " (cutoff:3.500A) removed outlier: 4.188A pdb=" N LYS A 374 " --> pdb=" O TYR A 247 " (cutoff:3.500A) Processing sheet with id= 5, first strand: chain 'A' and resid 260 through 264 removed outlier: 5.087A pdb=" N ILE A 282 " --> pdb=" O LEU A 291 " (cutoff:3.500A) removed outlier: 3.932A pdb=" N ARG A 289 " --> pdb=" O HIS A 284 " (cutoff:3.500A) Processing sheet with id= 6, first strand: chain 'A' and resid 664 through 668 removed outlier: 3.510A pdb=" N TRP A1626 " --> pdb=" O PHE A 791 " (cutoff:3.500A) Processing sheet with id= 7, first strand: chain 'A' and resid 681 through 686 No H-bonds generated for sheet with id= 7 Processing sheet with id= 8, first strand: chain 'A' and resid 744 through 750 removed outlier: 3.522A pdb=" N SER A 754 " --> pdb=" O ASP A 749 " (cutoff:3.500A) Processing sheet with id= 9, first strand: chain 'A' and resid 766 through 769 Processing sheet with id= 10, first strand: chain 'A' and resid 829 through 832 removed outlier: 5.439A pdb=" N TYR A 829 " --> pdb=" O VAL A 840 " (cutoff:3.500A) removed outlier: 5.431A pdb=" N GLN A1198 " --> pdb=" O GLY A 841 " (cutoff:3.500A) Processing sheet with id= 11, first strand: chain 'A' and resid 891 through 894 Processing sheet with id= 12, first strand: chain 'A' and resid 937 through 941 removed outlier: 3.960A pdb=" N HIS A 938 " --> pdb=" O GLU A1054 " (cutoff:3.500A) removed outlier: 3.530A pdb=" N GLY A 940 " --> pdb=" O ASN A1052 " (cutoff:3.500A) removed outlier: 3.514A pdb=" N ASN A1052 " --> pdb=" O GLY A 940 " (cutoff:3.500A) Processing sheet with id= 13, first strand: chain 'A' and resid 1005 through 1008 removed outlier: 3.989A pdb=" N SER A1008 " --> pdb=" O ASN A1018 " (cutoff:3.500A) Processing sheet with id= 14, first strand: chain 'A' and resid 1086 through 1095 removed outlier: 5.862A pdb=" N GLY A1086 " --> pdb=" O LEU A1155 " (cutoff:3.500A) removed outlier: 3.680A pdb=" N ASP A1147 " --> pdb=" O ALA A1094 " (cutoff:3.500A) Processing sheet with id= 15, first strand: chain 'A' and resid 1134 through 1137 removed outlier: 5.734A pdb=" N HIS A1133 " --> pdb=" O LEU A1134 " (cutoff:3.500A) removed outlier: 4.529A pdb=" N SER A1136 " --> pdb=" O ARG A1131 " (cutoff:3.500A) removed outlier: 6.880A pdb=" N ARG A1131 " --> pdb=" O SER A1136 " (cutoff:3.500A) removed outlier: 3.732A pdb=" N VAL A1123 " --> pdb=" O TRP A1132 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N VAL A1102 " --> pdb=" O PHE A1124 " (cutoff:3.500A) removed outlier: 3.575A pdb=" N GLY A1126 " --> pdb=" O MET A1100 " (cutoff:3.500A) removed outlier: 6.940A pdb=" N MET A1100 " --> pdb=" O GLY A1126 " (cutoff:3.500A) removed outlier: 7.165A pdb=" N GLU A1099 " --> pdb=" O GLY A1195 " (cutoff:3.500A) removed outlier: 3.672A pdb=" N ALA A1077 " --> pdb=" O PRO A1190 " (cutoff:3.500A) removed outlier: 3.655A pdb=" N ARG A1073 " --> pdb=" O LEU A1194 " (cutoff:3.500A) removed outlier: 9.217A pdb=" N VAL A1072 " --> pdb=" O SER A1241 " (cutoff:3.500A) removed outlier: 7.168A pdb=" N SER A1241 " --> pdb=" O VAL A1072 " (cutoff:3.500A) removed outlier: 5.336A pdb=" N ILE A1074 " --> pdb=" O SER A1239 " (cutoff:3.500A) removed outlier: 5.098A pdb=" N THR A1236 " --> pdb=" O MET A1608 " (cutoff:3.500A) removed outlier: 3.960A pdb=" N SER A1604 " --> pdb=" O LYS A1240 " (cutoff:3.500A) Processing sheet with id= 16, first strand: chain 'A' and resid 1267 through 1273 removed outlier: 3.691A pdb=" N LEU A1566 " --> pdb=" O PRO A1268 " (cutoff:3.500A) removed outlier: 3.911A pdb=" N ILE A1562 " --> pdb=" O LEU A1272 " (cutoff:3.500A) removed outlier: 7.005A pdb=" N VAL A1561 " --> pdb=" O PHE A1440 " (cutoff:3.500A) removed outlier: 3.752A pdb=" N PHE A1440 " --> pdb=" O VAL A1561 " (cutoff:3.500A) removed outlier: 3.665A pdb=" N GLN A1563 " --> pdb=" O ARG A1438 " (cutoff:3.500A) removed outlier: 4.922A pdb=" N GLY A1567 " --> pdb=" O TYR A1434 " (cutoff:3.500A) removed outlier: 5.474A pdb=" N TYR A1434 " --> pdb=" O GLY A1567 " (cutoff:3.500A) removed outlier: 8.229A pdb=" N THR A1431 " --> pdb=" O LEU A1522 " (cutoff:3.500A) removed outlier: 3.522A pdb=" N TYR A1435 " --> pdb=" O CYS A1518 " (cutoff:3.500A) removed outlier: 3.665A pdb=" N LEU A1526 " --> pdb=" O ASP A1521 " (cutoff:3.500A) removed outlier: 6.488A pdb=" N GLY A1525 " --> pdb=" O VAL A1542 " (cutoff:3.500A) Processing sheet with id= 17, first strand: chain 'A' and resid 1550 through 1555 removed outlier: 3.531A pdb=" N LEU A1289 " --> pdb=" O VAL A1552 " (cutoff:3.500A) removed outlier: 3.530A pdb=" N VAL A1554 " --> pdb=" O LEU A1287 " (cutoff:3.500A) removed outlier: 5.812A pdb=" N PHE A1288 " --> pdb=" O LEU A1600 " (cutoff:3.500A) removed outlier: 6.919A pdb=" N GLU A1596 " --> pdb=" O SER A1292 " (cutoff:3.500A) Processing sheet with id= 18, first strand: chain 'A' and resid 4177 through 4185 removed outlier: 4.986A pdb=" N TYR A4177 " --> pdb=" O ILE A4197 " (cutoff:3.500A) removed outlier: 3.629A pdb=" N GLY A4185 " --> pdb=" O ARG A4189 " (cutoff:3.500A) Processing sheet with id= 19, first strand: chain 'D' and resid 47 through 51 removed outlier: 3.524A pdb=" N PHE D 48 " --> pdb=" O ALA D 38 " (cutoff:3.500A) removed outlier: 3.567A pdb=" N ALA D 38 " --> pdb=" O PHE D 48 " (cutoff:3.500A) removed outlier: 3.640A pdb=" N CYS D 36 " --> pdb=" O GLU D 50 " (cutoff:3.500A) removed outlier: 3.522A pdb=" N LEU D 35 " --> pdb=" O CYS D 24 " (cutoff:3.500A) removed outlier: 5.027A pdb=" N LEU D 22 " --> pdb=" O LEU D 37 " (cutoff:3.500A) removed outlier: 9.755A pdb=" N ALA D 39 " --> pdb=" O VAL D 20 " (cutoff:3.500A) removed outlier: 13.113A pdb=" N VAL D 20 " --> pdb=" O ALA D 39 " (cutoff:3.500A) removed outlier: 4.529A pdb=" N ASN D 203 " --> pdb=" O VAL D 21 " (cutoff:3.500A) Processing sheet with id= 20, first strand: chain 'D' and resid 148 through 152 No H-bonds generated for sheet with id= 20 Processing sheet with id= 21, first strand: chain 'D' and resid 220 through 224 removed outlier: 3.685A pdb=" N THR D 391 " --> pdb=" O ARG D 221 " (cutoff:3.500A) Processing sheet with id= 22, first strand: chain 'D' and resid 230 through 233 removed outlier: 3.585A pdb=" N GLU D 248 " --> pdb=" O CYS D 230 " (cutoff:3.500A) removed outlier: 5.558A pdb=" N VAL D 245 " --> pdb=" O ALA D 376 " (cutoff:3.500A) removed outlier: 4.188A pdb=" N LYS D 374 " --> pdb=" O TYR D 247 " (cutoff:3.500A) Processing sheet with id= 23, first strand: chain 'D' and resid 260 through 264 removed outlier: 5.087A pdb=" N ILE D 282 " --> pdb=" O LEU D 291 " (cutoff:3.500A) removed outlier: 3.932A pdb=" N ARG D 289 " --> pdb=" O HIS D 284 " (cutoff:3.500A) Processing sheet with id= 24, first strand: chain 'D' and resid 664 through 668 removed outlier: 3.510A pdb=" N TRP D1626 " --> pdb=" O PHE D 791 " (cutoff:3.500A) Processing sheet with id= 25, first strand: chain 'D' and resid 681 through 686 No H-bonds generated for sheet with id= 25 Processing sheet with id= 26, first strand: chain 'D' and resid 744 through 750 removed outlier: 3.522A pdb=" N SER D 754 " --> pdb=" O ASP D 749 " (cutoff:3.500A) Processing sheet with id= 27, first strand: chain 'D' and resid 766 through 769 Processing sheet with id= 28, first strand: chain 'D' and resid 829 through 832 removed outlier: 5.439A pdb=" N TYR D 829 " --> pdb=" O VAL D 840 " (cutoff:3.500A) removed outlier: 5.431A pdb=" N GLN D1198 " --> pdb=" O GLY D 841 " (cutoff:3.500A) Processing sheet with id= 29, first strand: chain 'D' and resid 891 through 894 Processing sheet with id= 30, first strand: chain 'D' and resid 937 through 941 removed outlier: 3.960A pdb=" N HIS D 938 " --> pdb=" O GLU D1054 " (cutoff:3.500A) removed outlier: 3.530A pdb=" N GLY D 940 " --> pdb=" O ASN D1052 " (cutoff:3.500A) removed outlier: 3.514A pdb=" N ASN D1052 " --> pdb=" O GLY D 940 " (cutoff:3.500A) Processing sheet with id= 31, first strand: chain 'D' and resid 1005 through 1008 removed outlier: 3.989A pdb=" N SER D1008 " --> pdb=" O ASN D1018 " (cutoff:3.500A) Processing sheet with id= 32, first strand: chain 'D' and resid 1086 through 1095 removed outlier: 5.862A pdb=" N GLY D1086 " --> pdb=" O LEU D1155 " (cutoff:3.500A) removed outlier: 3.680A pdb=" N ASP D1147 " --> pdb=" O ALA D1094 " (cutoff:3.500A) Processing sheet with id= 33, first strand: chain 'D' and resid 1134 through 1137 removed outlier: 5.734A pdb=" N HIS D1133 " --> pdb=" O LEU D1134 " (cutoff:3.500A) removed outlier: 4.529A pdb=" N SER D1136 " --> pdb=" O ARG D1131 " (cutoff:3.500A) removed outlier: 6.880A pdb=" N ARG D1131 " --> pdb=" O SER D1136 " (cutoff:3.500A) removed outlier: 3.732A pdb=" N VAL D1123 " --> pdb=" O TRP D1132 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N VAL D1102 " --> pdb=" O PHE D1124 " (cutoff:3.500A) removed outlier: 3.575A pdb=" N GLY D1126 " --> pdb=" O MET D1100 " (cutoff:3.500A) removed outlier: 6.940A pdb=" N MET D1100 " --> pdb=" O GLY D1126 " (cutoff:3.500A) removed outlier: 7.165A pdb=" N GLU D1099 " --> pdb=" O GLY D1195 " (cutoff:3.500A) removed outlier: 3.672A pdb=" N ALA D1077 " --> pdb=" O PRO D1190 " (cutoff:3.500A) removed outlier: 3.655A pdb=" N ARG D1073 " --> pdb=" O LEU D1194 " (cutoff:3.500A) removed outlier: 9.217A pdb=" N VAL D1072 " --> pdb=" O SER D1241 " (cutoff:3.500A) removed outlier: 7.168A pdb=" N SER D1241 " --> pdb=" O VAL D1072 " (cutoff:3.500A) removed outlier: 5.336A pdb=" N ILE D1074 " --> pdb=" O SER D1239 " (cutoff:3.500A) removed outlier: 5.098A pdb=" N THR D1236 " --> pdb=" O MET D1608 " (cutoff:3.500A) removed outlier: 3.960A pdb=" N SER D1604 " --> pdb=" O LYS D1240 " (cutoff:3.500A) Processing sheet with id= 34, first strand: chain 'D' and resid 1267 through 1273 removed outlier: 3.691A pdb=" N LEU D1566 " --> pdb=" O PRO D1268 " (cutoff:3.500A) removed outlier: 3.911A pdb=" N ILE D1562 " --> pdb=" O LEU D1272 " (cutoff:3.500A) removed outlier: 7.005A pdb=" N VAL D1561 " --> pdb=" O PHE D1440 " (cutoff:3.500A) removed outlier: 3.752A pdb=" N PHE D1440 " --> pdb=" O VAL D1561 " (cutoff:3.500A) removed outlier: 3.665A pdb=" N GLN D1563 " --> pdb=" O ARG D1438 " (cutoff:3.500A) removed outlier: 4.922A pdb=" N GLY D1567 " --> pdb=" O TYR D1434 " (cutoff:3.500A) removed outlier: 5.474A pdb=" N TYR D1434 " --> pdb=" O GLY D1567 " (cutoff:3.500A) removed outlier: 8.229A pdb=" N THR D1431 " --> pdb=" O LEU D1522 " (cutoff:3.500A) removed outlier: 3.522A pdb=" N TYR D1435 " --> pdb=" O CYS D1518 " (cutoff:3.500A) removed outlier: 3.665A pdb=" N LEU D1526 " --> pdb=" O ASP D1521 " (cutoff:3.500A) removed outlier: 6.488A pdb=" N GLY D1525 " --> pdb=" O VAL D1542 " (cutoff:3.500A) Processing sheet with id= 35, first strand: chain 'D' and resid 1550 through 1555 removed outlier: 3.531A pdb=" N LEU D1289 " --> pdb=" O VAL D1552 " (cutoff:3.500A) removed outlier: 3.530A pdb=" N VAL D1554 " --> pdb=" O LEU D1287 " (cutoff:3.500A) removed outlier: 5.812A pdb=" N PHE D1288 " --> pdb=" O LEU D1600 " (cutoff:3.500A) removed outlier: 6.919A pdb=" N GLU D1596 " --> pdb=" O SER D1292 " (cutoff:3.500A) Processing sheet with id= 36, first strand: chain 'D' and resid 4177 through 4185 removed outlier: 4.986A pdb=" N TYR D4177 " --> pdb=" O ILE D4197 " (cutoff:3.500A) removed outlier: 3.629A pdb=" N GLY D4185 " --> pdb=" O ARG D4189 " (cutoff:3.500A) Processing sheet with id= 37, first strand: chain 'G' and resid 47 through 51 removed outlier: 3.524A pdb=" N PHE G 48 " --> pdb=" O ALA G 38 " (cutoff:3.500A) removed outlier: 3.567A pdb=" N ALA G 38 " --> pdb=" O PHE G 48 " (cutoff:3.500A) removed outlier: 3.640A pdb=" N CYS G 36 " --> pdb=" O GLU G 50 " (cutoff:3.500A) removed outlier: 3.522A pdb=" N LEU G 35 " --> pdb=" O CYS G 24 " (cutoff:3.500A) removed outlier: 5.027A pdb=" N LEU G 22 " --> pdb=" O LEU G 37 " (cutoff:3.500A) removed outlier: 9.755A pdb=" N ALA G 39 " --> pdb=" O VAL G 20 " (cutoff:3.500A) removed outlier: 13.113A pdb=" N VAL G 20 " --> pdb=" O ALA G 39 " (cutoff:3.500A) removed outlier: 4.529A pdb=" N ASN G 203 " --> pdb=" O VAL G 21 " (cutoff:3.500A) Processing sheet with id= 38, first strand: chain 'G' and resid 148 through 152 No H-bonds generated for sheet with id= 38 Processing sheet with id= 39, first strand: chain 'G' and resid 220 through 224 removed outlier: 3.685A pdb=" N THR G 391 " --> pdb=" O ARG G 221 " (cutoff:3.500A) Processing sheet with id= 40, first strand: chain 'G' and resid 230 through 233 removed outlier: 3.585A pdb=" N GLU G 248 " --> pdb=" O CYS G 230 " (cutoff:3.500A) removed outlier: 5.558A pdb=" N VAL G 245 " --> pdb=" O ALA G 376 " (cutoff:3.500A) removed outlier: 4.188A pdb=" N LYS G 374 " --> pdb=" O TYR G 247 " (cutoff:3.500A) Processing sheet with id= 41, first strand: chain 'G' and resid 260 through 264 removed outlier: 5.087A pdb=" N ILE G 282 " --> pdb=" O LEU G 291 " (cutoff:3.500A) removed outlier: 3.932A pdb=" N ARG G 289 " --> pdb=" O HIS G 284 " (cutoff:3.500A) Processing sheet with id= 42, first strand: chain 'G' and resid 664 through 668 removed outlier: 3.510A pdb=" N TRP G1626 " --> pdb=" O PHE G 791 " (cutoff:3.500A) Processing sheet with id= 43, first strand: chain 'G' and resid 681 through 686 No H-bonds generated for sheet with id= 43 Processing sheet with id= 44, first strand: chain 'G' and resid 744 through 750 removed outlier: 3.522A pdb=" N SER G 754 " --> pdb=" O ASP G 749 " (cutoff:3.500A) Processing sheet with id= 45, first strand: chain 'G' and resid 766 through 769 Processing sheet with id= 46, first strand: chain 'G' and resid 829 through 832 removed outlier: 5.439A pdb=" N TYR G 829 " --> pdb=" O VAL G 840 " (cutoff:3.500A) removed outlier: 5.431A pdb=" N GLN G1198 " --> pdb=" O GLY G 841 " (cutoff:3.500A) Processing sheet with id= 47, first strand: chain 'G' and resid 891 through 894 Processing sheet with id= 48, first strand: chain 'G' and resid 937 through 941 removed outlier: 3.960A pdb=" N HIS G 938 " --> pdb=" O GLU G1054 " (cutoff:3.500A) removed outlier: 3.530A pdb=" N GLY G 940 " --> pdb=" O ASN G1052 " (cutoff:3.500A) removed outlier: 3.514A pdb=" N ASN G1052 " --> pdb=" O GLY G 940 " (cutoff:3.500A) Processing sheet with id= 49, first strand: chain 'G' and resid 1005 through 1008 removed outlier: 3.989A pdb=" N SER G1008 " --> pdb=" O ASN G1018 " (cutoff:3.500A) Processing sheet with id= 50, first strand: chain 'G' and resid 1086 through 1095 removed outlier: 5.862A pdb=" N GLY G1086 " --> pdb=" O LEU G1155 " (cutoff:3.500A) removed outlier: 3.680A pdb=" N ASP G1147 " --> pdb=" O ALA G1094 " (cutoff:3.500A) Processing sheet with id= 51, first strand: chain 'G' and resid 1134 through 1137 removed outlier: 5.734A pdb=" N HIS G1133 " --> pdb=" O LEU G1134 " (cutoff:3.500A) removed outlier: 4.529A pdb=" N SER G1136 " --> pdb=" O ARG G1131 " (cutoff:3.500A) removed outlier: 6.880A pdb=" N ARG G1131 " --> pdb=" O SER G1136 " (cutoff:3.500A) removed outlier: 3.732A pdb=" N VAL G1123 " --> pdb=" O TRP G1132 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N VAL G1102 " --> pdb=" O PHE G1124 " (cutoff:3.500A) removed outlier: 3.575A pdb=" N GLY G1126 " --> pdb=" O MET G1100 " (cutoff:3.500A) removed outlier: 6.940A pdb=" N MET G1100 " --> pdb=" O GLY G1126 " (cutoff:3.500A) removed outlier: 7.165A pdb=" N GLU G1099 " --> pdb=" O GLY G1195 " (cutoff:3.500A) removed outlier: 3.672A pdb=" N ALA G1077 " --> pdb=" O PRO G1190 " (cutoff:3.500A) removed outlier: 3.655A pdb=" N ARG G1073 " --> pdb=" O LEU G1194 " (cutoff:3.500A) removed outlier: 9.217A pdb=" N VAL G1072 " --> pdb=" O SER G1241 " (cutoff:3.500A) removed outlier: 7.168A pdb=" N SER G1241 " --> pdb=" O VAL G1072 " (cutoff:3.500A) removed outlier: 5.336A pdb=" N ILE G1074 " --> pdb=" O SER G1239 " (cutoff:3.500A) removed outlier: 5.098A pdb=" N THR G1236 " --> pdb=" O MET G1608 " (cutoff:3.500A) removed outlier: 3.960A pdb=" N SER G1604 " --> pdb=" O LYS G1240 " (cutoff:3.500A) Processing sheet with id= 52, first strand: chain 'G' and resid 1267 through 1273 removed outlier: 3.691A pdb=" N LEU G1566 " --> pdb=" O PRO G1268 " (cutoff:3.500A) removed outlier: 3.911A pdb=" N ILE G1562 " --> pdb=" O LEU G1272 " (cutoff:3.500A) removed outlier: 7.005A pdb=" N VAL G1561 " --> pdb=" O PHE G1440 " (cutoff:3.500A) removed outlier: 3.752A pdb=" N PHE G1440 " --> pdb=" O VAL G1561 " (cutoff:3.500A) removed outlier: 3.665A pdb=" N GLN G1563 " --> pdb=" O ARG G1438 " (cutoff:3.500A) removed outlier: 4.922A pdb=" N GLY G1567 " --> pdb=" O TYR G1434 " (cutoff:3.500A) removed outlier: 5.474A pdb=" N TYR G1434 " --> pdb=" O GLY G1567 " (cutoff:3.500A) removed outlier: 8.229A pdb=" N THR G1431 " --> pdb=" O LEU G1522 " (cutoff:3.500A) removed outlier: 3.522A pdb=" N TYR G1435 " --> pdb=" O CYS G1518 " (cutoff:3.500A) removed outlier: 3.665A pdb=" N LEU G1526 " --> pdb=" O ASP G1521 " (cutoff:3.500A) removed outlier: 6.488A pdb=" N GLY G1525 " --> pdb=" O VAL G1542 " (cutoff:3.500A) Processing sheet with id= 53, first strand: chain 'G' and resid 1550 through 1555 removed outlier: 3.531A pdb=" N LEU G1289 " --> pdb=" O VAL G1552 " (cutoff:3.500A) removed outlier: 3.530A pdb=" N VAL G1554 " --> pdb=" O LEU G1287 " (cutoff:3.500A) removed outlier: 5.812A pdb=" N PHE G1288 " --> pdb=" O LEU G1600 " (cutoff:3.500A) removed outlier: 6.919A pdb=" N GLU G1596 " --> pdb=" O SER G1292 " (cutoff:3.500A) Processing sheet with id= 54, first strand: chain 'G' and resid 4177 through 4185 removed outlier: 4.986A pdb=" N TYR G4177 " --> pdb=" O ILE G4197 " (cutoff:3.500A) removed outlier: 3.629A pdb=" N GLY G4185 " --> pdb=" O ARG G4189 " (cutoff:3.500A) Processing sheet with id= 55, first strand: chain 'J' and resid 47 through 51 removed outlier: 3.524A pdb=" N PHE J 48 " --> pdb=" O ALA J 38 " (cutoff:3.500A) removed outlier: 3.567A pdb=" N ALA J 38 " --> pdb=" O PHE J 48 " (cutoff:3.500A) removed outlier: 3.640A pdb=" N CYS J 36 " --> pdb=" O GLU J 50 " (cutoff:3.500A) removed outlier: 3.522A pdb=" N LEU J 35 " --> pdb=" O CYS J 24 " (cutoff:3.500A) removed outlier: 5.027A pdb=" N LEU J 22 " --> pdb=" O LEU J 37 " (cutoff:3.500A) removed outlier: 9.755A pdb=" N ALA J 39 " --> pdb=" O VAL J 20 " (cutoff:3.500A) removed outlier: 13.113A pdb=" N VAL J 20 " --> pdb=" O ALA J 39 " (cutoff:3.500A) removed outlier: 4.529A pdb=" N ASN J 203 " --> pdb=" O VAL J 21 " (cutoff:3.500A) Processing sheet with id= 56, first strand: chain 'J' and resid 148 through 152 No H-bonds generated for sheet with id= 56 Processing sheet with id= 57, first strand: chain 'J' and resid 220 through 224 removed outlier: 3.685A pdb=" N THR J 391 " --> pdb=" O ARG J 221 " (cutoff:3.500A) Processing sheet with id= 58, first strand: chain 'J' and resid 230 through 233 removed outlier: 3.585A pdb=" N GLU J 248 " --> pdb=" O CYS J 230 " (cutoff:3.500A) removed outlier: 5.558A pdb=" N VAL J 245 " --> pdb=" O ALA J 376 " (cutoff:3.500A) removed outlier: 4.188A pdb=" N LYS J 374 " --> pdb=" O TYR J 247 " (cutoff:3.500A) Processing sheet with id= 59, first strand: chain 'J' and resid 260 through 264 removed outlier: 5.087A pdb=" N ILE J 282 " --> pdb=" O LEU J 291 " (cutoff:3.500A) removed outlier: 3.932A pdb=" N ARG J 289 " --> pdb=" O HIS J 284 " (cutoff:3.500A) Processing sheet with id= 60, first strand: chain 'J' and resid 664 through 668 removed outlier: 3.510A pdb=" N TRP J1626 " --> pdb=" O PHE J 791 " (cutoff:3.500A) Processing sheet with id= 61, first strand: chain 'J' and resid 681 through 686 No H-bonds generated for sheet with id= 61 Processing sheet with id= 62, first strand: chain 'J' and resid 744 through 750 removed outlier: 3.522A pdb=" N SER J 754 " --> pdb=" O ASP J 749 " (cutoff:3.500A) Processing sheet with id= 63, first strand: chain 'J' and resid 766 through 769 Processing sheet with id= 64, first strand: chain 'J' and resid 829 through 832 removed outlier: 5.439A pdb=" N TYR J 829 " --> pdb=" O VAL J 840 " (cutoff:3.500A) removed outlier: 5.431A pdb=" N GLN J1198 " --> pdb=" O GLY J 841 " (cutoff:3.500A) Processing sheet with id= 65, first strand: chain 'J' and resid 891 through 894 Processing sheet with id= 66, first strand: chain 'J' and resid 937 through 941 removed outlier: 3.960A pdb=" N HIS J 938 " --> pdb=" O GLU J1054 " (cutoff:3.500A) removed outlier: 3.530A pdb=" N GLY J 940 " --> pdb=" O ASN J1052 " (cutoff:3.500A) removed outlier: 3.514A pdb=" N ASN J1052 " --> pdb=" O GLY J 940 " (cutoff:3.500A) Processing sheet with id= 67, first strand: chain 'J' and resid 1005 through 1008 removed outlier: 3.989A pdb=" N SER J1008 " --> pdb=" O ASN J1018 " (cutoff:3.500A) Processing sheet with id= 68, first strand: chain 'J' and resid 1086 through 1095 removed outlier: 5.862A pdb=" N GLY J1086 " --> pdb=" O LEU J1155 " (cutoff:3.500A) removed outlier: 3.680A pdb=" N ASP J1147 " --> pdb=" O ALA J1094 " (cutoff:3.500A) Processing sheet with id= 69, first strand: chain 'J' and resid 1134 through 1137 removed outlier: 5.734A pdb=" N HIS J1133 " --> pdb=" O LEU J1134 " (cutoff:3.500A) removed outlier: 4.529A pdb=" N SER J1136 " --> pdb=" O ARG J1131 " (cutoff:3.500A) removed outlier: 6.880A pdb=" N ARG J1131 " --> pdb=" O SER J1136 " (cutoff:3.500A) removed outlier: 3.732A pdb=" N VAL J1123 " --> pdb=" O TRP J1132 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N VAL J1102 " --> pdb=" O PHE J1124 " (cutoff:3.500A) removed outlier: 3.575A pdb=" N GLY J1126 " --> pdb=" O MET J1100 " (cutoff:3.500A) removed outlier: 6.940A pdb=" N MET J1100 " --> pdb=" O GLY J1126 " (cutoff:3.500A) removed outlier: 7.165A pdb=" N GLU J1099 " --> pdb=" O GLY J1195 " (cutoff:3.500A) removed outlier: 3.672A pdb=" N ALA J1077 " --> pdb=" O PRO J1190 " (cutoff:3.500A) removed outlier: 3.655A pdb=" N ARG J1073 " --> pdb=" O LEU J1194 " (cutoff:3.500A) removed outlier: 9.217A pdb=" N VAL J1072 " --> pdb=" O SER J1241 " (cutoff:3.500A) removed outlier: 7.168A pdb=" N SER J1241 " --> pdb=" O VAL J1072 " (cutoff:3.500A) removed outlier: 5.336A pdb=" N ILE J1074 " --> pdb=" O SER J1239 " (cutoff:3.500A) removed outlier: 5.098A pdb=" N THR J1236 " --> pdb=" O MET J1608 " (cutoff:3.500A) removed outlier: 3.960A pdb=" N SER J1604 " --> pdb=" O LYS J1240 " (cutoff:3.500A) Processing sheet with id= 70, first strand: chain 'J' and resid 1267 through 1273 removed outlier: 3.691A pdb=" N LEU J1566 " --> pdb=" O PRO J1268 " (cutoff:3.500A) removed outlier: 3.911A pdb=" N ILE J1562 " --> pdb=" O LEU J1272 " (cutoff:3.500A) removed outlier: 7.005A pdb=" N VAL J1561 " --> pdb=" O PHE J1440 " (cutoff:3.500A) removed outlier: 3.752A pdb=" N PHE J1440 " --> pdb=" O VAL J1561 " (cutoff:3.500A) removed outlier: 3.665A pdb=" N GLN J1563 " --> pdb=" O ARG J1438 " (cutoff:3.500A) removed outlier: 4.922A pdb=" N GLY J1567 " --> pdb=" O TYR J1434 " (cutoff:3.500A) removed outlier: 5.474A pdb=" N TYR J1434 " --> pdb=" O GLY J1567 " (cutoff:3.500A) removed outlier: 8.229A pdb=" N THR J1431 " --> pdb=" O LEU J1522 " (cutoff:3.500A) removed outlier: 3.522A pdb=" N TYR J1435 " --> pdb=" O CYS J1518 " (cutoff:3.500A) removed outlier: 3.665A pdb=" N LEU J1526 " --> pdb=" O ASP J1521 " (cutoff:3.500A) removed outlier: 6.488A pdb=" N GLY J1525 " --> pdb=" O VAL J1542 " (cutoff:3.500A) Processing sheet with id= 71, first strand: chain 'J' and resid 1550 through 1555 removed outlier: 3.531A pdb=" N LEU J1289 " --> pdb=" O VAL J1552 " (cutoff:3.500A) removed outlier: 3.530A pdb=" N VAL J1554 " --> pdb=" O LEU J1287 " (cutoff:3.500A) removed outlier: 5.812A pdb=" N PHE J1288 " --> pdb=" O LEU J1600 " (cutoff:3.500A) removed outlier: 6.919A pdb=" N GLU J1596 " --> pdb=" O SER J1292 " (cutoff:3.500A) Processing sheet with id= 72, first strand: chain 'J' and resid 4177 through 4185 removed outlier: 4.986A pdb=" N TYR J4177 " --> pdb=" O ILE J4197 " (cutoff:3.500A) removed outlier: 3.629A pdb=" N GLY J4185 " --> pdb=" O ARG J4189 " (cutoff:3.500A) Processing sheet with id= 73, first strand: chain 'B' and resid 2 through 7 removed outlier: 3.765A pdb=" N GLU B 3 " --> pdb=" O THR B 75 " (cutoff:3.500A) removed outlier: 6.897A pdb=" N ARG B 71 " --> pdb=" O ILE B 7 " (cutoff:3.500A) removed outlier: 4.379A pdb=" N GLU B 102 " --> pdb=" O HIS B 25 " (cutoff:3.500A) removed outlier: 7.456A pdb=" N VAL B 23 " --> pdb=" O LEU B 104 " (cutoff:3.500A) Processing sheet with id= 74, first strand: chain 'E' and resid 2 through 7 removed outlier: 3.765A pdb=" N GLU E 3 " --> pdb=" O THR E 75 " (cutoff:3.500A) removed outlier: 6.897A pdb=" N ARG E 71 " --> pdb=" O ILE E 7 " (cutoff:3.500A) removed outlier: 4.379A pdb=" N GLU E 102 " --> pdb=" O HIS E 25 " (cutoff:3.500A) removed outlier: 7.456A pdb=" N VAL E 23 " --> pdb=" O LEU E 104 " (cutoff:3.500A) Processing sheet with id= 75, first strand: chain 'H' and resid 2 through 7 removed outlier: 3.766A pdb=" N GLU H 3 " --> pdb=" O THR H 75 " (cutoff:3.500A) removed outlier: 6.898A pdb=" N ARG H 71 " --> pdb=" O ILE H 7 " (cutoff:3.500A) removed outlier: 4.379A pdb=" N GLU H 102 " --> pdb=" O HIS H 25 " (cutoff:3.500A) removed outlier: 7.457A pdb=" N VAL H 23 " --> pdb=" O LEU H 104 " (cutoff:3.500A) Processing sheet with id= 76, first strand: chain 'K' and resid 2 through 7 removed outlier: 3.765A pdb=" N GLU K 3 " --> pdb=" O THR K 75 " (cutoff:3.500A) removed outlier: 6.896A pdb=" N ARG K 71 " --> pdb=" O ILE K 7 " (cutoff:3.500A) removed outlier: 4.379A pdb=" N GLU K 102 " --> pdb=" O HIS K 25 " (cutoff:3.500A) removed outlier: 7.456A pdb=" N VAL K 23 " --> pdb=" O LEU K 104 " (cutoff:3.500A) 4918 hydrogen bonds defined for protein. 14658 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: 67.84 Time building geometry restraints manager: 38.21 seconds NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Histogram of bond lengths: 1.22 - 1.35: 40684 1.35 - 1.49: 30150 1.49 - 1.63: 50622 1.63 - 1.76: 8 1.76 - 1.90: 1220 Bond restraints: 122684 Sorted by residual: bond pdb=" C6 CFF D5101 " pdb=" O13 CFF D5101 " ideal model delta sigma weight residual 1.218 1.402 -0.184 2.00e-02 2.50e+03 8.46e+01 bond pdb=" C6 CFF J5101 " pdb=" O13 CFF J5101 " ideal model delta sigma weight residual 1.218 1.402 -0.184 2.00e-02 2.50e+03 8.46e+01 bond pdb=" C6 CFF A5101 " pdb=" O13 CFF A5101 " ideal model delta sigma weight residual 1.218 1.402 -0.184 2.00e-02 2.50e+03 8.46e+01 bond pdb=" C6 CFF G5101 " pdb=" O13 CFF G5101 " ideal model delta sigma weight residual 1.218 1.402 -0.184 2.00e-02 2.50e+03 8.46e+01 bond pdb=" C2 CFF D5101 " pdb=" O11 CFF D5101 " ideal model delta sigma weight residual 1.216 1.397 -0.181 2.00e-02 2.50e+03 8.21e+01 ... (remaining 122679 not shown) Histogram of bond angle deviations from ideal: 96.45 - 104.87: 2168 104.87 - 113.29: 66068 113.29 - 121.71: 70165 121.71 - 130.13: 27807 130.13 - 138.55: 776 Bond angle restraints: 166984 Sorted by residual: angle pdb=" CG ARG J4085 " pdb=" CD ARG J4085 " pdb=" NE ARG J4085 " ideal model delta sigma weight residual 112.00 133.38 -21.38 2.20e+00 2.07e-01 9.44e+01 angle pdb=" CG ARG G4085 " pdb=" CD ARG G4085 " pdb=" NE ARG G4085 " ideal model delta sigma weight residual 112.00 133.38 -21.38 2.20e+00 2.07e-01 9.44e+01 angle pdb=" CG ARG A4085 " pdb=" CD ARG A4085 " pdb=" NE ARG A4085 " ideal model delta sigma weight residual 112.00 133.38 -21.38 2.20e+00 2.07e-01 9.44e+01 angle pdb=" CG ARG D4085 " pdb=" CD ARG D4085 " pdb=" NE ARG D4085 " ideal model delta sigma weight residual 112.00 133.38 -21.38 2.20e+00 2.07e-01 9.44e+01 angle pdb=" CG ARG G 474 " pdb=" CD ARG G 474 " pdb=" NE ARG G 474 " ideal model delta sigma weight residual 112.00 133.04 -21.04 2.20e+00 2.07e-01 9.14e+01 ... (remaining 166979 not shown) Histogram of dihedral angle deviations from ideal: 0.00 - 18.01: 65018 18.01 - 36.02: 5797 36.02 - 54.02: 1500 54.02 - 72.03: 327 72.03 - 90.04: 90 Dihedral angle restraints: 72732 sinusoidal: 24084 harmonic: 48648 Sorted by residual: dihedral pdb=" CA GLU C 7 " pdb=" C GLU C 7 " pdb=" N GLU C 8 " pdb=" CA GLU C 8 " ideal model delta harmonic sigma weight residual -180.00 -154.58 -25.42 0 5.00e+00 4.00e-02 2.58e+01 dihedral pdb=" CA GLU L 7 " pdb=" C GLU L 7 " pdb=" N GLU L 8 " pdb=" CA GLU L 8 " ideal model delta harmonic sigma weight residual -180.00 -154.59 -25.41 0 5.00e+00 4.00e-02 2.58e+01 dihedral pdb=" CA GLU I 7 " pdb=" C GLU I 7 " pdb=" N GLU I 8 " pdb=" CA GLU I 8 " ideal model delta harmonic sigma weight residual -180.00 -154.62 -25.38 0 5.00e+00 4.00e-02 2.58e+01 ... (remaining 72729 not shown) Histogram of chiral volume deviations from ideal: 0.000 - 0.155: 19367 0.155 - 0.311: 248 0.311 - 0.466: 9 0.466 - 0.622: 4 0.622 - 0.777: 4 Chirality restraints: 19632 Sorted by residual: chirality pdb=" CB ILE D3930 " pdb=" CA ILE D3930 " pdb=" CG1 ILE D3930 " pdb=" CG2 ILE D3930 " both_signs ideal model delta sigma weight residual False 2.64 1.87 0.78 2.00e-01 2.50e+01 1.51e+01 chirality pdb=" CB ILE A3930 " pdb=" CA ILE A3930 " pdb=" CG1 ILE A3930 " pdb=" CG2 ILE A3930 " both_signs ideal model delta sigma weight residual False 2.64 1.87 0.78 2.00e-01 2.50e+01 1.51e+01 chirality pdb=" CB ILE J3930 " pdb=" CA ILE J3930 " pdb=" CG1 ILE J3930 " pdb=" CG2 ILE J3930 " both_signs ideal model delta sigma weight residual False 2.64 1.87 0.78 2.00e-01 2.50e+01 1.51e+01 ... (remaining 19629 not shown) Planarity restraints: 21576 Sorted by residual: delta sigma weight rms_deltas residual plane pdb=" CB PHE A 347 " -0.033 2.00e-02 2.50e+03 4.30e-02 3.23e+01 pdb=" CG PHE A 347 " 0.098 2.00e-02 2.50e+03 pdb=" CD1 PHE A 347 " -0.026 2.00e-02 2.50e+03 pdb=" CD2 PHE A 347 " -0.038 2.00e-02 2.50e+03 pdb=" CE1 PHE A 347 " -0.008 2.00e-02 2.50e+03 pdb=" CE2 PHE A 347 " 0.007 2.00e-02 2.50e+03 pdb=" CZ PHE A 347 " -0.000 2.00e-02 2.50e+03 delta sigma weight rms_deltas residual plane pdb=" CB PHE J 347 " -0.033 2.00e-02 2.50e+03 4.30e-02 3.23e+01 pdb=" CG PHE J 347 " 0.098 2.00e-02 2.50e+03 pdb=" CD1 PHE J 347 " -0.026 2.00e-02 2.50e+03 pdb=" CD2 PHE J 347 " -0.038 2.00e-02 2.50e+03 pdb=" CE1 PHE J 347 " -0.008 2.00e-02 2.50e+03 pdb=" CE2 PHE J 347 " 0.007 2.00e-02 2.50e+03 pdb=" CZ PHE J 347 " -0.000 2.00e-02 2.50e+03 delta sigma weight rms_deltas residual plane pdb=" CB PHE G 347 " 0.033 2.00e-02 2.50e+03 4.30e-02 3.23e+01 pdb=" CG PHE G 347 " -0.098 2.00e-02 2.50e+03 pdb=" CD1 PHE G 347 " 0.026 2.00e-02 2.50e+03 pdb=" CD2 PHE G 347 " 0.038 2.00e-02 2.50e+03 pdb=" CE1 PHE G 347 " 0.008 2.00e-02 2.50e+03 pdb=" CE2 PHE G 347 " -0.007 2.00e-02 2.50e+03 pdb=" CZ PHE G 347 " 0.000 2.00e-02 2.50e+03 ... (remaining 21573 not shown) Histogram of nonbonded interaction distances: 2.28 - 2.80: 34348 2.80 - 3.33: 103467 3.33 - 3.85: 189336 3.85 - 4.38: 219009 4.38 - 4.90: 371868 Nonbonded interactions: 918028 Sorted by model distance: nonbonded pdb=" O VAL D 815 " pdb=" OH TYR D1007 " model vdw 2.276 2.440 nonbonded pdb=" O VAL G 815 " pdb=" OH TYR G1007 " model vdw 2.276 2.440 nonbonded pdb=" O VAL J 815 " pdb=" OH TYR J1007 " model vdw 2.276 2.440 nonbonded pdb=" O VAL A 815 " pdb=" OH TYR A1007 " model vdw 2.276 2.440 nonbonded pdb=" O MET G2186 " pdb=" OH TYR G2192 " model vdw 2.282 2.440 ... (remaining 918023 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 'A' selection = chain 'D' selection = chain 'G' selection = chain 'J' } ncs_group { reference = chain 'B' selection = chain 'E' selection = chain 'H' selection = chain 'K' } ncs_group { reference = chain 'C' selection = chain 'F' selection = chain 'I' selection = chain 'L' } Set up NCS constraints No NCS constraints will be used in refinement. Set refine NCS operators Adjust number of macro_cycles Number of macro_cycles: 10 Reset NCS operators Extract rigid body selections Check and reset occupancies Occupancies: min=1.00 max=1.00 mean=1.00 Load rotamer database and sin/cos tables Set ADP refinement strategy ADPs will be refined as 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: 3.680 Set stop_for_unknowns flag: 0.000 Assert model is a single copy model: 0.000 Assert all atoms have isotropic ADPs: 0.010 Construct map_model_manager: 0.100 Extract box with map and model: 24.460 Check model and map are aligned: 1.530 Set scattering table: 0.760 Process input model: 267.610 Find NCS groups from input model: 6.130 Set up NCS constraints: 0.730 Set refine NCS operators: 0.000 Adjust number of macro_cycles: 0.000 Reset NCS operators: 0.000 Extract rigid body selections: 0.000 Check and reset occupancies: 0.020 Load rotamer database and sin/cos tables:2.220 Set ADP refinement strategy: 0.000 Make a string to write initial .geo file:0.000 Internal consistency checks: 0.000 Total: 307.250 ------------------------------------------------------------------------------- Set refinement monitor ********************** ------------------------------------------------------------------------------- Setup refinement engine *********************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.6167 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 : 0.006 0.184 122684 Z= 0.359 Angle : 1.081 21.379 166984 Z= 0.564 Chirality : 0.055 0.777 19632 Planarity : 0.006 0.075 21576 Dihedral : 15.580 90.041 41036 Min Nonbonded Distance : 2.276 Molprobity Statistics. All-atom Clashscore : 3.96 Ramachandran Plot: Outliers : 0.00 % Allowed : 3.08 % Favored : 96.92 % Rotamer Outliers : 3.59 % 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: -5.38 (0.05), residues: 14660 helix: -4.75 (0.02), residues: 6820 sheet: -1.68 (0.13), residues: 1412 loop : -2.43 (0.06), residues: 6428 *********************** REFINEMENT MACRO_CYCLE 1 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 29320 Ramachandran restraints generated. 14660 Oldfield, 0 Emsley, 14660 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 29320 Ramachandran restraints generated. 14660 Oldfield, 0 Emsley, 14660 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 2284 residues out of total 13052 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 385 poor density : 1899 time to evaluate : 10.608 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 385 outliers final: 55 residues processed: 2183 average time/residue: 1.1434 time to fit residues: 4340.6986 Evaluate side-chains 1367 residues out of total 13052 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 55 poor density : 1312 time to evaluate : 9.989 Switching outliers to nearest non-outliers revert: symmetry clash outliers start: 55 outliers final: 1 residues processed: 55 average time/residue: 0.8909 time to fit residues: 105.4817 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=5.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1668 random chunks: chunk 1408 optimal weight: 0.9990 chunk 1264 optimal weight: 10.0000 chunk 701 optimal weight: 9.9990 chunk 431 optimal weight: 7.9990 chunk 852 optimal weight: 30.0000 chunk 675 optimal weight: 30.0000 chunk 1307 optimal weight: 1.9990 chunk 505 optimal weight: 0.0060 chunk 794 optimal weight: 3.9990 chunk 973 optimal weight: 1.9990 chunk 1514 optimal weight: 30.0000 overall best weight: 1.8004 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** A 57 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 71 GLN A 255 HIS A 473 ASN ** A 475 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 536 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 593 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A 765 GLN A 919 ASN A 994 ASN A1254 HIS A1281 ASN A1460 HIS A1560 ASN ** A1610 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A1640 HIS A1679 ASN ** A1688 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A1693 GLN A1861 GLN A1938 GLN A2005 GLN A2041 HIS A2107 GLN ** A2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A2193 GLN A2213 ASN A2283 ASN ** A2487 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A2498 HIS A3627 GLN A3767 GLN A3837 GLN A3851 ASN A3882 GLN ** A3897 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3901 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A3909 ASN A3963 ASN A3977 GLN A4043 GLN A4153 HIS A4204 GLN ** A4574 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A4626 ASN A4803 HIS ** A4946 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A4947 GLN B 20 GLN B 43 ASN B 70 GLN B 87 HIS B 94 ASN C 9 GLN ** C 108 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 57 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D 71 GLN D 255 HIS D 473 ASN ** D 475 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 536 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 593 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D 610 ASN D 765 GLN D 838 HIS D 919 ASN D 994 ASN ** D1203 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D1254 HIS D1281 ASN D1460 HIS D1560 ASN ** D1610 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D1640 HIS D1663 HIS D1679 ASN ** D1688 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D1693 GLN D1861 GLN D1938 GLN D2005 GLN D2041 HIS D2107 GLN ** D2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D2193 GLN D2213 ASN D2283 ASN ** D2487 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D2498 HIS D3627 GLN D3767 GLN D3837 GLN D3851 ASN D3882 GLN ** D3897 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3901 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D3909 ASN D3963 ASN D3977 GLN D4043 GLN D4153 HIS D4204 GLN ** D4574 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D4626 ASN D4803 HIS D4886 HIS ** D4946 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D4947 GLN E 20 GLN E 43 ASN E 70 GLN E 87 HIS E 94 ASN F 9 GLN ** F 108 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 57 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** G 71 GLN G 255 HIS G 473 ASN ** G 475 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 536 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 593 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** G 765 GLN G 919 ASN G 994 ASN G1254 HIS G1281 ASN G1460 HIS G1560 ASN ** G1610 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** G1640 HIS G1679 ASN ** G1688 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** G1693 GLN G1861 GLN G1938 GLN G2005 GLN G2041 HIS G2107 GLN ** G2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** G2193 GLN G2213 ASN G2283 ASN ** G2487 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** G2498 HIS G3627 GLN G3767 GLN G3837 GLN G3851 ASN G3882 GLN ** G3897 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G3901 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** G3909 ASN G3963 ASN G3977 GLN G4043 GLN G4153 HIS G4204 GLN ** G4574 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** G4626 ASN G4803 HIS G4886 HIS ** G4946 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** G4947 GLN H 20 GLN H 43 ASN H 70 GLN H 87 HIS H 94 ASN I 9 GLN ** I 108 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 57 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** J 71 GLN J 255 HIS J 473 ASN ** J 475 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 536 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 593 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** J 765 GLN J 919 ASN J 994 ASN J1203 ASN J1254 HIS J1281 ASN J1460 HIS J1560 ASN ** J1610 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** J1640 HIS J1679 ASN ** J1688 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** J1693 GLN J1861 GLN J1938 GLN J2005 GLN J2041 HIS J2107 GLN ** J2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** J2193 GLN J2213 ASN J2283 ASN ** J2487 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** J2498 HIS J3627 GLN J3767 GLN J3837 GLN J3851 ASN J3882 GLN ** J3897 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** J3909 ASN J3963 ASN J3977 GLN J4043 GLN J4153 HIS J4204 GLN ** J4574 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** J4626 ASN J4803 HIS J4886 HIS ** J4946 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** J4947 GLN J5003 HIS K 20 GLN K 43 ASN K 70 GLN K 87 HIS L 9 GLN ** L 108 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 175 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7080 moved from start: 0.3885 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.005 0.106 122684 Z= 0.333 Angle : 0.757 13.221 166984 Z= 0.388 Chirality : 0.044 0.351 19632 Planarity : 0.006 0.065 21576 Dihedral : 4.681 75.014 17716 Min Nonbonded Distance : 2.041 Molprobity Statistics. All-atom Clashscore : 11.22 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.13 % Favored : 97.87 % Rotamer Outliers : 2.80 % 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: -3.03 (0.06), residues: 14660 helix: -2.28 (0.05), residues: 6936 sheet: -1.05 (0.13), residues: 1440 loop : -1.72 (0.07), residues: 6284 *********************** REFINEMENT MACRO_CYCLE 2 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 29320 Ramachandran restraints generated. 14660 Oldfield, 0 Emsley, 14660 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 29320 Ramachandran restraints generated. 14660 Oldfield, 0 Emsley, 14660 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1674 residues out of total 13052 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 300 poor density : 1374 time to evaluate : 9.838 Fit side-chains revert: symmetry clash revert: symmetry clash outliers start: 300 outliers final: 119 residues processed: 1567 average time/residue: 0.9969 time to fit residues: 2778.6594 Evaluate side-chains 1260 residues out of total 13052 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 119 poor density : 1141 time to evaluate : 9.954 Switching outliers to nearest non-outliers outliers start: 119 outliers final: 0 residues processed: 119 average time/residue: 0.8457 time to fit residues: 205.2241 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1668 random chunks: chunk 841 optimal weight: 6.9990 chunk 470 optimal weight: 0.6980 chunk 1260 optimal weight: 10.0000 chunk 1031 optimal weight: 5.9990 chunk 417 optimal weight: 10.0000 chunk 1517 optimal weight: 30.0000 chunk 1639 optimal weight: 0.6980 chunk 1351 optimal weight: 2.9990 chunk 1504 optimal weight: 20.0000 chunk 517 optimal weight: 5.9990 chunk 1217 optimal weight: 4.9990 overall best weight: 3.0786 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 23 GLN A 255 HIS A 405 HIS A 475 GLN A 536 ASN A 597 HIS A 610 ASN A1203 ASN ** A1610 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1640 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A1683 HIS A2032 GLN ** A2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A2247 GLN ** A2487 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A2520 HIS ** A2599 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A3897 ASN ** A4034 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4109 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A4209 GLN ** A4574 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A4946 GLN A5003 HIS B 25 HIS ** C 9 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D 23 GLN D 255 HIS D 405 HIS D 475 GLN D 536 ASN D 597 HIS D1203 ASN ** D1610 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1640 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D2032 GLN ** D2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D2247 GLN D2487 GLN D2520 HIS ** D2599 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D3897 ASN ** D4034 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4109 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D4209 GLN ** D4574 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D4946 GLN D5003 HIS E 25 HIS F 4 GLN ** F 9 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** G 23 GLN G 255 HIS G 405 HIS G 475 GLN G 536 ASN G 597 HIS G 610 ASN G 797 HIS G1203 ASN ** G1610 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G1640 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** G2032 GLN ** G2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G2247 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** G2487 GLN G2520 HIS ** G2599 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** G3897 ASN ** G4034 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G4109 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** G4209 GLN ** G4574 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** G4946 GLN G5003 HIS H 25 HIS J 23 GLN J 255 HIS J 405 HIS J 475 GLN J 536 ASN J 597 HIS J 610 ASN ** J1610 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J1640 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** J1683 HIS J2032 GLN ** J2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** J2247 GLN J2260 ASN J2487 GLN J2520 HIS J2574 HIS ** J2599 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** J3897 ASN ** J4034 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J4109 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** J4209 GLN ** J4574 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J4812 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** J4946 GLN K 25 HIS Total number of N/Q/H flips: 69 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7582 moved from start: 0.6519 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.007 0.101 122684 Z= 0.424 Angle : 0.747 19.823 166984 Z= 0.375 Chirality : 0.046 0.585 19632 Planarity : 0.005 0.050 21576 Dihedral : 4.644 69.510 17716 Min Nonbonded Distance : 2.104 Molprobity Statistics. All-atom Clashscore : 10.69 Ramachandran Plot: Outliers : 0.03 % Allowed : 2.74 % Favored : 97.24 % Rotamer Outliers : 3.80 % 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: -1.71 (0.06), residues: 14660 helix: -0.79 (0.06), residues: 7164 sheet: -0.99 (0.13), residues: 1588 loop : -1.45 (0.07), residues: 5908 *********************** REFINEMENT MACRO_CYCLE 3 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 29320 Ramachandran restraints generated. 14660 Oldfield, 0 Emsley, 14660 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 29320 Ramachandran restraints generated. 14660 Oldfield, 0 Emsley, 14660 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1504 residues out of total 13052 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 408 poor density : 1096 time to evaluate : 9.948 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 outliers start: 408 outliers final: 163 residues processed: 1416 average time/residue: 1.0435 time to fit residues: 2634.6924 Evaluate side-chains 1137 residues out of total 13052 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 163 poor density : 974 time to evaluate : 9.877 Switching outliers to nearest non-outliers outliers start: 163 outliers final: 0 residues processed: 163 average time/residue: 0.8585 time to fit residues: 280.4507 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1668 random chunks: chunk 1499 optimal weight: 0.0070 chunk 1140 optimal weight: 1.9990 chunk 787 optimal weight: 0.6980 chunk 167 optimal weight: 0.5980 chunk 724 optimal weight: 1.9990 chunk 1018 optimal weight: 1.9990 chunk 1522 optimal weight: 20.0000 chunk 1612 optimal weight: 10.0000 chunk 795 optimal weight: 6.9990 chunk 1443 optimal weight: 2.9990 chunk 434 optimal weight: 4.9990 overall best weight: 1.0602 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 224 HIS A 593 HIS A 610 ASN ** A1610 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A2284 ASN A2487 GLN ** A4109 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4223 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4574 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 9 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 108 HIS D 224 HIS D 593 HIS ** D1299 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D1429 ASN ** D1545 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1610 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D2284 ASN ** D4109 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4223 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4574 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** F 9 GLN F 108 HIS G 224 HIS G 610 ASN G 797 HIS ** G1299 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G1545 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G1610 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** G2247 GLN G2284 ASN ** G4109 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G4574 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** J 224 HIS J 255 HIS J 593 HIS J 610 ASN ** J1299 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J1545 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J1610 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** J2284 ASN ** J4109 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J4223 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J4574 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 22 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7555 moved from start: 0.6752 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.003 0.097 122684 Z= 0.190 Angle : 0.538 14.233 166984 Z= 0.269 Chirality : 0.039 0.204 19632 Planarity : 0.003 0.051 21576 Dihedral : 4.158 64.300 17716 Min Nonbonded Distance : 2.131 Molprobity Statistics. All-atom Clashscore : 9.38 Ramachandran Plot: Outliers : 0.00 % Allowed : 1.98 % Favored : 98.02 % Rotamer Outliers : 1.61 % 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: -0.89 (0.07), residues: 14660 helix: 0.09 (0.06), residues: 7124 sheet: -0.88 (0.13), residues: 1560 loop : -1.24 (0.08), residues: 5976 *********************** REFINEMENT MACRO_CYCLE 4 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 29320 Ramachandran restraints generated. 14660 Oldfield, 0 Emsley, 14660 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 29320 Ramachandran restraints generated. 14660 Oldfield, 0 Emsley, 14660 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1175 residues out of total 13052 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 173 poor density : 1002 time to evaluate : 10.257 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 173 outliers final: 56 residues processed: 1133 average time/residue: 1.0280 time to fit residues: 2054.2337 Evaluate side-chains 1019 residues out of total 13052 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 56 poor density : 963 time to evaluate : 9.877 Switching outliers to nearest non-outliers outliers start: 56 outliers final: 0 residues processed: 56 average time/residue: 0.8462 time to fit residues: 103.9781 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=3.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1668 random chunks: chunk 1342 optimal weight: 9.9990 chunk 915 optimal weight: 30.0000 chunk 23 optimal weight: 50.0000 chunk 1200 optimal weight: 8.9990 chunk 665 optimal weight: 0.6980 chunk 1375 optimal weight: 0.9980 chunk 1114 optimal weight: 9.9990 chunk 1 optimal weight: 10.0000 chunk 823 optimal weight: 10.0000 chunk 1447 optimal weight: 2.9990 chunk 406 optimal weight: 0.0020 overall best weight: 2.7392 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 255 HIS ** A 681 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1299 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1545 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1610 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A1640 HIS A1719 HIS A1825 HIS ** A2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A2574 HIS ** A4109 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4223 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4574 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4812 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B 70 GLN C 9 GLN D 255 HIS D 610 ASN ** D 681 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1299 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D1429 ASN ** D1545 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D1610 ASN D1640 HIS D1719 HIS D1825 HIS D1972 ASN ** D2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D2574 HIS ** D4109 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4223 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4574 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4812 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** E 70 GLN ** F 4 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** F 9 GLN G 255 HIS G 797 HIS ** G1299 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** G1429 ASN ** G1545 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** G1610 ASN G1640 HIS G1719 HIS G1825 HIS G1972 ASN ** G2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** G2574 HIS ** G4109 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G4574 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** G4812 HIS J 255 HIS ** J1299 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** J1429 ASN ** J1545 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J1610 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** J1640 HIS J1719 HIS J1825 HIS J1972 ASN ** J2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** J2574 HIS ** J4109 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J4574 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** J4812 HIS K 70 GLN Total number of N/Q/H flips: 37 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7664 moved from start: 0.7596 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.006 0.097 122684 Z= 0.374 Angle : 0.633 13.615 166984 Z= 0.316 Chirality : 0.043 0.224 19632 Planarity : 0.004 0.056 21576 Dihedral : 4.326 60.312 17716 Min Nonbonded Distance : 2.089 Molprobity Statistics. All-atom Clashscore : 10.36 Ramachandran Plot: Outliers : 0.00 % Allowed : 3.00 % Favored : 97.00 % Rotamer Outliers : 2.22 % 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: -0.69 (0.07), residues: 14660 helix: 0.29 (0.06), residues: 7136 sheet: -0.72 (0.13), residues: 1584 loop : -1.21 (0.08), residues: 5940 *********************** REFINEMENT MACRO_CYCLE 5 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 29320 Ramachandran restraints generated. 14660 Oldfield, 0 Emsley, 14660 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 29320 Ramachandran restraints generated. 14660 Oldfield, 0 Emsley, 14660 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1244 residues out of total 13052 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 238 poor density : 1006 time to evaluate : 9.805 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 238 outliers final: 131 residues processed: 1200 average time/residue: 1.0278 time to fit residues: 2180.7249 Evaluate side-chains 1095 residues out of total 13052 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 131 poor density : 964 time to evaluate : 11.553 Switching outliers to nearest non-outliers outliers start: 131 outliers final: 0 residues processed: 131 average time/residue: 0.8225 time to fit residues: 219.7657 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=3.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1668 random chunks: chunk 542 optimal weight: 0.8980 chunk 1451 optimal weight: 1.9990 chunk 318 optimal weight: 0.8980 chunk 946 optimal weight: 0.9980 chunk 398 optimal weight: 0.9990 chunk 1613 optimal weight: 0.6980 chunk 1339 optimal weight: 10.0000 chunk 747 optimal weight: 0.0040 chunk 134 optimal weight: 0.7980 chunk 533 optimal weight: 3.9990 chunk 847 optimal weight: 10.0000 overall best weight: 0.6592 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** A 460 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 495 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 838 HIS ** A1299 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A1429 ASN ** A1545 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1610 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A1928 GLN A1972 ASN ** A2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A4109 GLN ** A4574 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A4812 HIS B 70 GLN ** D1299 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1545 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D1693 GLN ** D2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D3946 GLN ** D4109 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4574 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4650 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** E 70 GLN F 4 GLN F 9 GLN G 797 HIS G 838 HIS ** G1299 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** G1429 ASN ** G1545 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** G1693 GLN ** G2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G4109 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** G4574 ASN J 255 HIS J 838 HIS ** J1299 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J1545 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J1610 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** J3946 GLN J4109 GLN J4574 ASN K 70 GLN Total number of N/Q/H flips: 23 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7606 moved from start: 0.7637 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.002 0.050 122684 Z= 0.150 Angle : 0.518 16.010 166984 Z= 0.257 Chirality : 0.038 0.202 19632 Planarity : 0.003 0.049 21576 Dihedral : 3.977 57.287 17716 Min Nonbonded Distance : 2.136 Molprobity Statistics. All-atom Clashscore : 8.85 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.04 % Favored : 97.96 % Rotamer Outliers : 0.90 % 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: -0.19 (0.07), residues: 14660 helix: 0.76 (0.06), residues: 7116 sheet: -0.59 (0.13), residues: 1576 loop : -1.01 (0.08), residues: 5968 *********************** REFINEMENT MACRO_CYCLE 6 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 29320 Ramachandran restraints generated. 14660 Oldfield, 0 Emsley, 14660 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 29320 Ramachandran restraints generated. 14660 Oldfield, 0 Emsley, 14660 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1101 residues out of total 13052 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 97 poor density : 1004 time to evaluate : 9.971 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 outliers start: 97 outliers final: 35 residues processed: 1067 average time/residue: 1.0813 time to fit residues: 2043.0956 Evaluate side-chains 982 residues out of total 13052 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 35 poor density : 947 time to evaluate : 9.917 Switching outliers to nearest non-outliers outliers start: 35 outliers final: 0 residues processed: 35 average time/residue: 0.8694 time to fit residues: 70.6088 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=2.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1668 random chunks: chunk 1555 optimal weight: 3.9990 chunk 181 optimal weight: 0.9980 chunk 919 optimal weight: 20.0000 chunk 1178 optimal weight: 10.0000 chunk 913 optimal weight: 30.0000 chunk 1358 optimal weight: 5.9990 chunk 901 optimal weight: 9.9990 chunk 1607 optimal weight: 1.9990 chunk 1006 optimal weight: 0.6980 chunk 980 optimal weight: 2.9990 chunk 742 optimal weight: 5.9990 overall best weight: 2.1386 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 224 HIS ** A 681 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A 838 HIS ** A1299 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1545 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A1610 ASN ** A2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A2420 HIS A4109 GLN A4574 ASN A4650 HIS B 70 GLN ** D 495 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 681 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1299 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1545 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D2574 HIS D3946 GLN D4109 GLN ** D4574 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4650 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** E 70 GLN F 9 GLN ** G 681 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** G 838 HIS G1299 GLN G1545 ASN ** G2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** G3946 GLN ** G4109 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** J 255 HIS ** J 681 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** J 838 HIS ** J1299 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J1545 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J1610 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** J4109 GLN K 70 GLN Total number of N/Q/H flips: 21 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7665 moved from start: 0.7990 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.005 0.050 122684 Z= 0.304 Angle : 0.574 15.628 166984 Z= 0.286 Chirality : 0.041 0.197 19632 Planarity : 0.004 0.091 21576 Dihedral : 4.030 52.184 17716 Min Nonbonded Distance : 2.099 Molprobity Statistics. All-atom Clashscore : 9.53 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.95 % Favored : 97.05 % Rotamer Outliers : 1.40 % 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: 14660 helix: 0.77 (0.06), residues: 7148 sheet: -0.59 (0.13), residues: 1656 loop : -1.01 (0.08), residues: 5856 *********************** REFINEMENT MACRO_CYCLE 7 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 29320 Ramachandran restraints generated. 14660 Oldfield, 0 Emsley, 14660 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 29320 Ramachandran restraints generated. 14660 Oldfield, 0 Emsley, 14660 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1133 residues out of total 13052 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 150 poor density : 983 time to evaluate : 9.887 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 150 outliers final: 75 residues processed: 1104 average time/residue: 1.0722 time to fit residues: 2095.1195 Evaluate side-chains 1031 residues out of total 13052 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 75 poor density : 956 time to evaluate : 11.832 Switching outliers to nearest non-outliers outliers start: 75 outliers final: 0 residues processed: 75 average time/residue: 0.9481 time to fit residues: 146.9182 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=2.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1668 random chunks: chunk 994 optimal weight: 0.6980 chunk 642 optimal weight: 6.9990 chunk 960 optimal weight: 3.9990 chunk 484 optimal weight: 5.9990 chunk 315 optimal weight: 3.9990 chunk 311 optimal weight: 1.9990 chunk 1022 optimal weight: 2.9990 chunk 1095 optimal weight: 30.0000 chunk 794 optimal weight: 4.9990 chunk 149 optimal weight: 1.9990 chunk 1263 optimal weight: 0.4980 overall best weight: 1.6386 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** A 203 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1299 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1545 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A3946 GLN B 70 GLN C 9 GLN ** D 203 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1299 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1545 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D2574 HIS D4109 GLN ** D4574 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4650 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** E 70 GLN F 9 GLN ** G 203 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** G1928 GLN ** G2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 203 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** J 255 HIS ** J1299 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J1545 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** J1610 ASN ** J2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** J2420 HIS J4109 GLN K 70 GLN Total number of N/Q/H flips: 13 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7654 moved from start: 0.8144 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.004 0.045 122684 Z= 0.235 Angle : 0.540 15.178 166984 Z= 0.268 Chirality : 0.039 0.183 19632 Planarity : 0.003 0.057 21576 Dihedral : 3.950 49.060 17716 Min Nonbonded Distance : 2.127 Molprobity Statistics. All-atom Clashscore : 9.08 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.54 % Favored : 97.46 % Rotamer Outliers : 0.86 % 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: -0.02 (0.07), residues: 14660 helix: 0.89 (0.06), residues: 7148 sheet: -0.50 (0.13), residues: 1600 loop : -0.93 (0.08), residues: 5912 *********************** REFINEMENT MACRO_CYCLE 8 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 29320 Ramachandran restraints generated. 14660 Oldfield, 0 Emsley, 14660 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 29320 Ramachandran restraints generated. 14660 Oldfield, 0 Emsley, 14660 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1074 residues out of total 13052 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 92 poor density : 982 time to evaluate : 10.385 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 92 outliers final: 29 residues processed: 1047 average time/residue: 1.0885 time to fit residues: 2017.6424 Evaluate side-chains 987 residues out of total 13052 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 29 poor density : 958 time to evaluate : 10.167 Switching outliers to nearest non-outliers outliers start: 29 outliers final: 0 residues processed: 29 average time/residue: 1.0202 time to fit residues: 69.0415 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1668 random chunks: chunk 1462 optimal weight: 4.9990 chunk 1540 optimal weight: 4.9990 chunk 1405 optimal weight: 1.9990 chunk 1498 optimal weight: 10.0000 chunk 1539 optimal weight: 0.9980 chunk 901 optimal weight: 6.9990 chunk 652 optimal weight: 20.0000 chunk 1176 optimal weight: 3.9990 chunk 459 optimal weight: 6.9990 chunk 1353 optimal weight: 0.0570 chunk 1416 optimal weight: 0.0270 overall best weight: 1.4160 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** A 203 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1299 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1545 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 70 GLN ** D 203 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D1299 GLN D1545 ASN ** D2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D4574 ASN ** D4650 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** E 70 GLN F 9 GLN ** G 203 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** G2574 HIS ** J 203 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J1299 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J1545 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** K 70 GLN Total number of N/Q/H flips: 8 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7655 moved from start: 0.8278 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.003 0.044 122684 Z= 0.218 Angle : 0.538 14.651 166984 Z= 0.266 Chirality : 0.039 0.181 19632 Planarity : 0.003 0.054 21576 Dihedral : 3.863 44.540 17716 Min Nonbonded Distance : 2.114 Molprobity Statistics. All-atom Clashscore : 8.92 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.99 % Favored : 97.01 % Rotamer Outliers : 0.49 % 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: 0.12 (0.07), residues: 14660 helix: 1.01 (0.06), residues: 7148 sheet: -0.45 (0.13), residues: 1600 loop : -0.85 (0.08), residues: 5912 *********************** REFINEMENT MACRO_CYCLE 9 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 29320 Ramachandran restraints generated. 14660 Oldfield, 0 Emsley, 14660 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 29320 Ramachandran restraints generated. 14660 Oldfield, 0 Emsley, 14660 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1021 residues out of total 13052 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 53 poor density : 968 time to evaluate : 12.799 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 53 outliers final: 30 residues processed: 1003 average time/residue: 1.0604 time to fit residues: 1870.9090 Evaluate side-chains 979 residues out of total 13052 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 30 poor density : 949 time to evaluate : 8.807 Switching outliers to nearest non-outliers outliers start: 30 outliers final: 0 residues processed: 30 average time/residue: 0.7803 time to fit residues: 56.6150 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1668 random chunks: chunk 1492 optimal weight: 50.0000 chunk 983 optimal weight: 0.7980 chunk 1584 optimal weight: 5.9990 chunk 966 optimal weight: 5.9990 chunk 751 optimal weight: 10.0000 chunk 1101 optimal weight: 20.0000 chunk 1661 optimal weight: 0.6980 chunk 1529 optimal weight: 20.0000 chunk 1323 optimal weight: 3.9990 chunk 137 optimal weight: 0.5980 chunk 1022 optimal weight: 3.9990 overall best weight: 2.0184 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** A 203 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 681 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1299 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1545 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4020 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A4216 GLN B 70 GLN C 4 GLN C 9 GLN ** D 203 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 681 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4650 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** E 70 GLN F 9 GLN ** G 203 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 681 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** G2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 203 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J1299 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J1545 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** K 70 GLN Total number of N/Q/H flips: 7 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7676 moved from start: 0.8475 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.004 0.046 122684 Z= 0.282 Angle : 0.570 17.404 166984 Z= 0.282 Chirality : 0.040 0.255 19632 Planarity : 0.004 0.056 21576 Dihedral : 3.947 41.483 17716 Min Nonbonded Distance : 2.112 Molprobity Statistics. All-atom Clashscore : 9.49 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.95 % Favored : 97.05 % Rotamer Outliers : 0.35 % 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: 0.07 (0.07), residues: 14660 helix: 0.95 (0.06), residues: 7144 sheet: -0.49 (0.13), residues: 1600 loop : -0.84 (0.08), residues: 5916 ********************** REFINEMENT MACRO_CYCLE 10 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 29320 Ramachandran restraints generated. 14660 Oldfield, 0 Emsley, 14660 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 29320 Ramachandran restraints generated. 14660 Oldfield, 0 Emsley, 14660 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1005 residues out of total 13052 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 38 poor density : 967 time to evaluate : 10.118 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 38 outliers final: 21 residues processed: 992 average time/residue: 1.1066 time to fit residues: 1932.2245 Evaluate side-chains 963 residues out of total 13052 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 21 poor density : 942 time to evaluate : 8.848 Switching outliers to nearest non-outliers outliers start: 21 outliers final: 0 residues processed: 21 average time/residue: 0.7960 time to fit residues: 44.8003 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1668 random chunks: chunk 811 optimal weight: 0.8980 chunk 1051 optimal weight: 1.9990 chunk 1409 optimal weight: 1.9990 chunk 405 optimal weight: 3.9990 chunk 1220 optimal weight: 8.9990 chunk 195 optimal weight: 3.9990 chunk 367 optimal weight: 40.0000 chunk 1325 optimal weight: 0.6980 chunk 554 optimal weight: 0.3980 chunk 1360 optimal weight: 0.0040 chunk 167 optimal weight: 1.9990 overall best weight: 0.7994 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** A 203 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A1299 GLN A1545 ASN ** A2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4020 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 70 GLN D 224 HIS ** D2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4650 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** E 70 GLN F 9 GLN ** G 203 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** G 224 HIS ** G2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G4142 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 203 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J1299 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J1545 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J4142 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** K 70 GLN Total number of N/Q/H flips: 8 ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.3581 r_free = 0.3581 target = 0.076749 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 40)----------------| | r_work = 0.3157 r_free = 0.3157 target = 0.060373 restraints weight = 400091.978| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 2; iterations = 25)----------------| | r_work = 0.3141 r_free = 0.3141 target = 0.060090 restraints weight = 319097.570| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 3; iterations = 24)----------------| | r_work = 0.3146 r_free = 0.3146 target = 0.060326 restraints weight = 289248.383| |-----------------------------------------------------------------------------| r_work (final): 0.3127 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7661 moved from start: 0.8495 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.003 0.046 122684 Z= 0.161 Angle : 0.527 16.714 166984 Z= 0.259 Chirality : 0.038 0.211 19632 Planarity : 0.003 0.052 21576 Dihedral : 3.795 38.885 17716 Min Nonbonded Distance : 2.105 Molprobity Statistics. All-atom Clashscore : 8.78 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.77 % Favored : 97.23 % Rotamer Outliers : 0.24 % 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: 0.30 (0.07), residues: 14660 helix: 1.17 (0.06), residues: 7100 sheet: -0.43 (0.13), residues: 1624 loop : -0.75 (0.08), residues: 5936 =============================================================================== Job complete usr+sys time: 32266.89 seconds wall clock time: 562 minutes 3.34 seconds (33723.34 seconds total)