Starting phenix.real_space_refine (version: dev) on Mon May 16 15:47:22 2022 by dcliebschner =============================================================================== Processing files: ------------------------------------------------------------------------------- Found model, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7aek_11747/05_2022/7aek_11747.pdb Found real_map, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7aek_11747/05_2022/7aek_11747.map Processing PHIL parameters: ------------------------------------------------------------------------------- Adding command-line PHIL: ------------------------- refinement.macro_cycles=10 scattering_table=electron resolution=2.5 write_initial_geo_file=False Final processed PHIL parameters: ------------------------------------------------------------------------------- data_manager { real_map_files = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7aek_11747/05_2022/7aek_11747.map" default_real_map = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7aek_11747/05_2022/7aek_11747.map" model { file = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7aek_11747/05_2022/7aek_11747.pdb" } default_model = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7aek_11747/05_2022/7aek_11747.pdb" } resolution = 2.5 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= 0.013 Set stop_for_unknowns flag Set to: True Assert model is a single copy model Assert all atoms have isotropic ADPs Construct map_model_manager Extract box with map and model Check model and map are aligned Convert atoms to be neutral Process input model Symmetric amino acids flipped Residue "3A TYR 10": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3A PHE 17": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3A GLU 25": "OE1" <-> "OE2" Residue "3A PHE 31": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3A ASP 48": "OD1" <-> "OD2" Residue "3A TYR 65": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3A TYR 66": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3A ASP 81": "OD1" <-> "OD2" Residue "3A PHE 99": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3A TYR 103": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3A TYR 107": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3A PHE 113": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3A GLU 157": "OE1" <-> "OE2" Residue "3A PHE 163": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3A TYR 176": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3A TYR 179": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3A TYR 204": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3A ASP 226": "OD1" <-> "OD2" Residue "3A TYR 227": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3A TYR 230": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3A TYR 244": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3A TYR 246": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3A ASP 249": "OD1" <-> "OD2" Residue "3A ASP 280": "OD1" <-> "OD2" Residue "3A ASP 284": "OD1" <-> "OD2" Residue "3A ASP 285": "OD1" <-> "OD2" Residue "3A GLU 333": "OE1" <-> "OE2" Residue "3A ASP 344": "OD1" <-> "OD2" Residue "3A GLU 362": "OE1" <-> "OE2" Residue "3A ASP 363": "OD1" <-> "OD2" Residue "3A PHE 381": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3A GLU 388": "OE1" <-> "OE2" Residue "3A ASP 454": "OD1" <-> "OD2" Residue "3A ARG 476": "NH1" <-> "NH2" Residue "3A ASP 485": "OD1" <-> "OD2" Residue "3A ARG 520": "NH1" <-> "NH2" Residue "3A TYR 586": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3A PHE 593": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3A PHE 607": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3A GLU 610": "OE1" <-> "OE2" Residue "3A ARG 619": "NH1" <-> "NH2" Residue "3A GLU 663": "OE1" <-> "OE2" Residue "3A GLU 679": "OE1" <-> "OE2" Residue "3A PHE 680": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3A PHE 685": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3B TYR 10": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3B PHE 17": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3B GLU 25": "OE1" <-> "OE2" Residue "3B PHE 31": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3B ASP 48": "OD1" <-> "OD2" Residue "3B TYR 65": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3B TYR 66": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3B ASP 81": "OD1" <-> "OD2" Residue "3B PHE 99": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3B TYR 103": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3B TYR 107": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3B PHE 113": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3B GLU 157": "OE1" <-> "OE2" Residue "3B PHE 163": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3B TYR 176": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3B TYR 179": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3B TYR 204": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3B ASP 226": "OD1" <-> "OD2" Residue "3B TYR 227": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3B TYR 230": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3B TYR 244": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3B TYR 246": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3B ASP 249": "OD1" <-> "OD2" Residue "3B ASP 280": "OD1" <-> "OD2" Residue "3B ASP 284": "OD1" <-> "OD2" Residue "3B ASP 285": "OD1" <-> "OD2" Residue "3B GLU 333": "OE1" <-> "OE2" Residue "3B ASP 344": "OD1" <-> "OD2" Residue "3B GLU 362": "OE1" <-> "OE2" Residue "3B ASP 363": "OD1" <-> "OD2" Residue "3B PHE 381": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3B GLU 388": "OE1" <-> "OE2" Residue "3B ASP 454": "OD1" <-> "OD2" Residue "3B ARG 476": "NH1" <-> "NH2" Residue "3B ASP 485": "OD1" <-> "OD2" Residue "3B ARG 520": "NH1" <-> "NH2" Residue "3B TYR 586": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3B PHE 593": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3B PHE 607": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3B GLU 610": "OE1" <-> "OE2" Residue "3B ARG 619": "NH1" <-> "NH2" Residue "3B GLU 663": "OE1" <-> "OE2" Residue "3B GLU 679": "OE1" <-> "OE2" Residue "3B PHE 680": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3B PHE 685": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3C TYR 10": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3C PHE 17": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3C GLU 25": "OE1" <-> "OE2" Residue "3C PHE 31": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3C ASP 48": "OD1" <-> "OD2" Residue "3C TYR 65": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3C TYR 66": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3C ASP 81": "OD1" <-> "OD2" Residue "3C PHE 99": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3C TYR 103": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3C TYR 107": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3C PHE 113": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3C GLU 157": "OE1" <-> "OE2" Residue "3C PHE 163": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3C TYR 176": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3C TYR 179": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3C TYR 204": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3C ASP 226": "OD1" <-> "OD2" Residue "3C TYR 227": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3C TYR 230": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3C TYR 244": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3C TYR 246": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3C ASP 249": "OD1" <-> "OD2" Residue "3C ASP 280": "OD1" <-> "OD2" Residue "3C ASP 284": "OD1" <-> "OD2" Residue "3C ASP 285": "OD1" <-> "OD2" Residue "3C GLU 333": "OE1" <-> "OE2" Residue "3C ASP 344": "OD1" <-> "OD2" Residue "3C GLU 362": "OE1" <-> "OE2" Residue "3C ASP 363": "OD1" <-> "OD2" Residue "3C PHE 381": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3C GLU 388": "OE1" <-> "OE2" Residue "3C ASP 454": "OD1" <-> "OD2" Residue "3C ARG 476": "NH1" <-> "NH2" Residue "3C ASP 485": "OD1" <-> "OD2" Residue "3C ARG 520": "NH1" <-> "NH2" Residue "3C TYR 586": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3C PHE 593": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3C PHE 607": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3C GLU 610": "OE1" <-> "OE2" Residue "3C ARG 619": "NH1" <-> "NH2" Residue "3C GLU 663": "OE1" <-> "OE2" Residue "3C GLU 679": "OE1" <-> "OE2" Residue "3C PHE 680": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3C PHE 685": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3D TYR 10": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3D PHE 17": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3D GLU 25": "OE1" <-> "OE2" Residue "3D PHE 31": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3D ASP 48": "OD1" <-> "OD2" Residue "3D TYR 65": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3D TYR 66": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3D ASP 81": "OD1" <-> "OD2" Residue "3D PHE 99": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3D TYR 103": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3D TYR 107": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3D PHE 113": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3D GLU 157": "OE1" <-> "OE2" Residue "3D PHE 163": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3D TYR 176": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3D TYR 179": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3D TYR 204": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3D ASP 226": "OD1" <-> "OD2" Residue "3D TYR 227": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3D TYR 230": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3D TYR 244": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3D TYR 246": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3D ASP 249": "OD1" <-> "OD2" Residue "3D ASP 280": "OD1" <-> "OD2" Residue "3D ASP 284": "OD1" <-> "OD2" Residue "3D ASP 285": "OD1" <-> "OD2" Residue "3D GLU 333": "OE1" <-> "OE2" Residue "3D ASP 344": "OD1" <-> "OD2" Residue "3D GLU 362": "OE1" <-> "OE2" Residue "3D ASP 363": "OD1" <-> "OD2" Residue "3D PHE 381": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3D GLU 388": "OE1" <-> "OE2" Residue "3D ASP 454": "OD1" <-> "OD2" Residue "3D ARG 476": "NH1" <-> "NH2" Residue "3D ASP 485": "OD1" <-> "OD2" Residue "3D ARG 520": "NH1" <-> "NH2" Residue "3D TYR 586": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3D PHE 593": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3D PHE 607": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3D GLU 610": "OE1" <-> "OE2" Residue "3D ARG 619": "NH1" <-> "NH2" Residue "3D GLU 663": "OE1" <-> "OE2" Residue "3D GLU 679": "OE1" <-> "OE2" Residue "3D PHE 680": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3D PHE 685": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3E TYR 10": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3E PHE 17": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3E GLU 25": "OE1" <-> "OE2" Residue "3E PHE 31": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3E ASP 48": "OD1" <-> "OD2" Residue "3E TYR 65": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3E TYR 66": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3E ASP 81": "OD1" <-> "OD2" Residue "3E PHE 99": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3E TYR 103": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3E TYR 107": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3E PHE 113": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3E GLU 157": "OE1" <-> "OE2" Residue "3E PHE 163": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3E TYR 176": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3E TYR 179": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3E TYR 204": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3E ASP 226": "OD1" <-> "OD2" Residue "3E TYR 227": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3E TYR 230": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3E TYR 244": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3E TYR 246": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3E ASP 249": "OD1" <-> "OD2" Residue "3E ASP 280": "OD1" <-> "OD2" Residue "3E ASP 284": "OD1" <-> "OD2" Residue "3E ASP 285": "OD1" <-> "OD2" Residue "3E GLU 333": "OE1" <-> "OE2" Residue "3E ASP 344": "OD1" <-> "OD2" Residue "3E GLU 362": "OE1" <-> "OE2" Residue "3E ASP 363": "OD1" <-> "OD2" Residue "3E PHE 381": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3E GLU 388": "OE1" <-> "OE2" Residue "3E ASP 454": "OD1" <-> "OD2" Residue "3E ARG 476": "NH1" <-> "NH2" Residue "3E ASP 485": "OD1" <-> "OD2" Residue "3E ARG 520": "NH1" <-> "NH2" Residue "3E TYR 586": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3E PHE 593": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3E PHE 607": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3E GLU 610": "OE1" <-> "OE2" Residue "3E ARG 619": "NH1" <-> "NH2" Residue "3E GLU 663": "OE1" <-> "OE2" Residue "3E GLU 679": "OE1" <-> "OE2" Residue "3E PHE 680": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3E PHE 685": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3F TYR 10": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3F PHE 17": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3F GLU 25": "OE1" <-> "OE2" Residue "3F PHE 31": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3F ASP 48": "OD1" <-> "OD2" Residue "3F TYR 65": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3F TYR 66": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3F ASP 81": "OD1" <-> "OD2" Residue "3F PHE 99": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3F TYR 103": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3F TYR 107": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3F PHE 113": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3F GLU 157": "OE1" <-> "OE2" Residue "3F PHE 163": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3F TYR 176": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3F TYR 179": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3F TYR 204": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3F ASP 226": "OD1" <-> "OD2" Residue "3F TYR 227": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3F TYR 230": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3F TYR 244": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3F TYR 246": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3F ASP 249": "OD1" <-> "OD2" Residue "3F ASP 280": "OD1" <-> "OD2" Residue "3F ASP 284": "OD1" <-> "OD2" Residue "3F ASP 285": "OD1" <-> "OD2" Residue "3F GLU 333": "OE1" <-> "OE2" Residue "3F ASP 344": "OD1" <-> "OD2" Residue "3F GLU 362": "OE1" <-> "OE2" Residue "3F ASP 363": "OD1" <-> "OD2" Residue "3F PHE 381": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3F GLU 388": "OE1" <-> "OE2" Residue "3F ASP 454": "OD1" <-> "OD2" Residue "3F ARG 476": "NH1" <-> "NH2" Residue "3F ASP 485": "OD1" <-> "OD2" Residue "3F ARG 520": "NH1" <-> "NH2" Residue "3F TYR 586": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3F PHE 593": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3F PHE 607": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3F GLU 610": "OE1" <-> "OE2" Residue "3F ARG 619": "NH1" <-> "NH2" Residue "3F GLU 663": "OE1" <-> "OE2" Residue "3F GLU 679": "OE1" <-> "OE2" Residue "3F PHE 680": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3F PHE 685": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4A TYR 10": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4A PHE 17": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4A GLU 25": "OE1" <-> "OE2" Residue "4A PHE 31": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4A ASP 48": "OD1" <-> "OD2" Residue "4A TYR 65": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4A TYR 66": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4A ASP 81": "OD1" <-> "OD2" Residue "4A PHE 99": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4A TYR 103": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4A TYR 107": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4A PHE 113": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4A GLU 157": "OE1" <-> "OE2" Residue "4A PHE 163": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4A TYR 176": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4A TYR 179": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4A TYR 204": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4A ASP 226": "OD1" <-> "OD2" Residue "4A TYR 227": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4A TYR 230": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4A TYR 244": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4A TYR 246": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4A ASP 249": "OD1" <-> "OD2" Residue "4A ASP 280": "OD1" <-> "OD2" Residue "4A ASP 284": "OD1" <-> "OD2" Residue "4A ASP 285": "OD1" <-> "OD2" Residue "4A GLU 333": "OE1" <-> "OE2" Residue "4A ASP 344": "OD1" <-> "OD2" Residue "4A GLU 362": "OE1" <-> "OE2" Residue "4A ASP 363": "OD1" <-> "OD2" Residue "4A PHE 381": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4A GLU 388": "OE1" <-> "OE2" Residue "4A ASP 454": "OD1" <-> "OD2" Residue "4A ARG 476": "NH1" <-> "NH2" Residue "4A ASP 485": "OD1" <-> "OD2" Residue "4A ARG 520": "NH1" <-> "NH2" Residue "4A TYR 586": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4A PHE 593": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4A PHE 607": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4A GLU 610": "OE1" <-> "OE2" Residue "4A ARG 619": "NH1" <-> "NH2" Residue "4A GLU 663": "OE1" <-> "OE2" Residue "4A GLU 679": "OE1" <-> "OE2" Residue "4A PHE 680": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4A PHE 685": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4B TYR 10": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4B PHE 17": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4B GLU 25": "OE1" <-> "OE2" Residue "4B PHE 31": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4B ASP 48": "OD1" <-> "OD2" Residue "4B TYR 65": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4B TYR 66": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4B ASP 81": "OD1" <-> "OD2" Residue "4B PHE 99": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4B TYR 103": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4B TYR 107": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4B PHE 113": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4B GLU 157": "OE1" <-> "OE2" Residue "4B PHE 163": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4B TYR 176": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4B TYR 179": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4B TYR 204": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4B ASP 226": "OD1" <-> "OD2" Residue "4B TYR 227": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4B TYR 230": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4B TYR 244": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4B TYR 246": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4B ASP 249": "OD1" <-> "OD2" Residue "4B ASP 280": "OD1" <-> "OD2" Residue "4B ASP 284": "OD1" <-> "OD2" Residue "4B ASP 285": "OD1" <-> "OD2" Residue "4B GLU 333": "OE1" <-> "OE2" Residue "4B ASP 344": "OD1" <-> "OD2" Residue "4B GLU 362": "OE1" <-> "OE2" Residue "4B ASP 363": "OD1" <-> "OD2" Residue "4B PHE 381": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4B GLU 388": "OE1" <-> "OE2" Residue "4B ASP 454": "OD1" <-> "OD2" Residue "4B ARG 476": "NH1" <-> "NH2" Residue "4B ASP 485": "OD1" <-> "OD2" Residue "4B ARG 520": "NH1" <-> "NH2" Residue "4B TYR 586": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4B PHE 593": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4B PHE 607": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4B GLU 610": "OE1" <-> "OE2" Residue "4B ARG 619": "NH1" <-> "NH2" Residue "4B GLU 663": "OE1" <-> "OE2" Residue "4B GLU 679": "OE1" <-> "OE2" Residue "4B PHE 680": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4B PHE 685": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4C TYR 10": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4C PHE 17": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4C GLU 25": "OE1" <-> "OE2" Residue "4C PHE 31": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4C ASP 48": "OD1" <-> "OD2" Residue "4C TYR 65": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4C TYR 66": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4C ASP 81": "OD1" <-> "OD2" Residue "4C PHE 99": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4C TYR 103": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4C TYR 107": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4C PHE 113": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4C GLU 157": "OE1" <-> "OE2" Residue "4C PHE 163": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4C TYR 176": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4C TYR 179": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4C TYR 204": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4C ASP 226": "OD1" <-> "OD2" Residue "4C TYR 227": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4C TYR 230": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4C TYR 244": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4C TYR 246": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4C ASP 249": "OD1" <-> "OD2" Residue "4C ASP 280": "OD1" <-> "OD2" Residue "4C ASP 284": "OD1" <-> "OD2" Residue "4C ASP 285": "OD1" <-> "OD2" Residue "4C GLU 333": "OE1" <-> "OE2" Residue "4C ASP 344": "OD1" <-> "OD2" Residue "4C GLU 362": "OE1" <-> "OE2" Residue "4C ASP 363": "OD1" <-> "OD2" Residue "4C PHE 381": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4C GLU 388": "OE1" <-> "OE2" Residue "4C ASP 454": "OD1" <-> "OD2" Residue "4C ARG 476": "NH1" <-> "NH2" Residue "4C ASP 485": "OD1" <-> "OD2" Residue "4C ARG 520": "NH1" <-> "NH2" Residue "4C TYR 586": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4C PHE 593": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4C PHE 607": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4C GLU 610": "OE1" <-> "OE2" Residue "4C ARG 619": "NH1" <-> "NH2" Residue "4C GLU 663": "OE1" <-> "OE2" Residue "4C GLU 679": "OE1" <-> "OE2" Residue "4C PHE 680": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4C PHE 685": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4D TYR 10": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4D PHE 17": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4D GLU 25": "OE1" <-> "OE2" Residue "4D PHE 31": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4D ASP 48": "OD1" <-> "OD2" Residue "4D TYR 65": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4D TYR 66": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4D ASP 81": "OD1" <-> "OD2" Residue "4D PHE 99": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4D TYR 103": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4D TYR 107": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4D PHE 113": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4D GLU 157": "OE1" <-> "OE2" Residue "4D PHE 163": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4D TYR 176": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4D TYR 179": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4D TYR 204": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4D ASP 226": "OD1" <-> "OD2" Residue "4D TYR 227": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4D TYR 230": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4D TYR 244": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4D TYR 246": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4D ASP 249": "OD1" <-> "OD2" Residue "4D ASP 280": "OD1" <-> "OD2" Residue "4D ASP 284": "OD1" <-> "OD2" Residue "4D ASP 285": "OD1" <-> "OD2" Residue "4D GLU 333": "OE1" <-> "OE2" Residue "4D ASP 344": "OD1" <-> "OD2" Residue "4D GLU 362": "OE1" <-> "OE2" Residue "4D ASP 363": "OD1" <-> "OD2" Residue "4D PHE 381": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4D GLU 388": "OE1" <-> "OE2" Residue "4D ASP 454": "OD1" <-> "OD2" Residue "4D ARG 476": "NH1" <-> "NH2" Residue "4D ASP 485": "OD1" <-> "OD2" Residue "4D ARG 520": "NH1" <-> "NH2" Residue "4D TYR 586": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4D PHE 593": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4D PHE 607": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4D GLU 610": "OE1" <-> "OE2" Residue "4D ARG 619": "NH1" <-> "NH2" Residue "4D GLU 663": "OE1" <-> "OE2" Residue "4D GLU 679": "OE1" <-> "OE2" Residue "4D PHE 680": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4D PHE 685": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4E TYR 10": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4E PHE 17": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4E GLU 25": "OE1" <-> "OE2" Residue "4E PHE 31": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4E ASP 48": "OD1" <-> "OD2" Residue "4E TYR 65": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4E TYR 66": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4E ASP 81": "OD1" <-> "OD2" Residue "4E PHE 99": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4E TYR 103": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4E TYR 107": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4E PHE 113": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4E GLU 157": "OE1" <-> "OE2" Residue "4E PHE 163": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4E TYR 176": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4E TYR 179": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4E TYR 204": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4E ASP 226": "OD1" <-> "OD2" Residue "4E TYR 227": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4E TYR 230": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4E TYR 244": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4E TYR 246": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4E ASP 249": "OD1" <-> "OD2" Residue "4E ASP 280": "OD1" <-> "OD2" Residue "4E ASP 284": "OD1" <-> "OD2" Residue "4E ASP 285": "OD1" <-> "OD2" Residue "4E GLU 333": "OE1" <-> "OE2" Residue "4E ASP 344": "OD1" <-> "OD2" Residue "4E GLU 362": "OE1" <-> "OE2" Residue "4E ASP 363": "OD1" <-> "OD2" Residue "4E PHE 381": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4E GLU 388": "OE1" <-> "OE2" Residue "4E ASP 454": "OD1" <-> "OD2" Residue "4E ARG 476": "NH1" <-> "NH2" Residue "4E ASP 485": "OD1" <-> "OD2" Residue "4E ARG 520": "NH1" <-> "NH2" Residue "4E TYR 586": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4E PHE 593": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4E PHE 607": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4E GLU 610": "OE1" <-> "OE2" Residue "4E ARG 619": "NH1" <-> "NH2" Residue "4E GLU 663": "OE1" <-> "OE2" Residue "4E GLU 679": "OE1" <-> "OE2" Residue "4E PHE 680": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4E PHE 685": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4F TYR 10": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4F PHE 17": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4F GLU 25": "OE1" <-> "OE2" Residue "4F PHE 31": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4F ASP 48": "OD1" <-> "OD2" Residue "4F TYR 65": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4F TYR 66": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4F ASP 81": "OD1" <-> "OD2" Residue "4F PHE 99": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4F TYR 103": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4F TYR 107": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4F PHE 113": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4F GLU 157": "OE1" <-> "OE2" Residue "4F PHE 163": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4F TYR 176": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4F TYR 179": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4F TYR 204": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4F ASP 226": "OD1" <-> "OD2" Residue "4F TYR 227": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4F TYR 230": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4F TYR 244": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4F TYR 246": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4F ASP 249": "OD1" <-> "OD2" Residue "4F ASP 280": "OD1" <-> "OD2" Residue "4F ASP 284": "OD1" <-> "OD2" Residue "4F ASP 285": "OD1" <-> "OD2" Residue "4F GLU 333": "OE1" <-> "OE2" Residue "4F ASP 344": "OD1" <-> "OD2" Residue "4F GLU 362": "OE1" <-> "OE2" Residue "4F ASP 363": "OD1" <-> "OD2" Residue "4F PHE 381": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4F GLU 388": "OE1" <-> "OE2" Residue "4F ASP 454": "OD1" <-> "OD2" Residue "4F ARG 476": "NH1" <-> "NH2" Residue "4F ASP 485": "OD1" <-> "OD2" Residue "4F ARG 520": "NH1" <-> "NH2" Residue "4F TYR 586": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4F PHE 593": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4F PHE 607": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4F GLU 610": "OE1" <-> "OE2" Residue "4F ARG 619": "NH1" <-> "NH2" Residue "4F GLU 663": "OE1" <-> "OE2" Residue "4F GLU 679": "OE1" <-> "OE2" Residue "4F PHE 680": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4F PHE 685": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5A TYR 10": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5A PHE 17": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5A GLU 25": "OE1" <-> "OE2" Residue "5A PHE 31": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5A ASP 48": "OD1" <-> "OD2" Residue "5A TYR 65": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5A TYR 66": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5A ASP 81": "OD1" <-> "OD2" Residue "5A PHE 99": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5A TYR 103": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5A TYR 107": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5A PHE 113": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5A GLU 157": "OE1" <-> "OE2" Residue "5A PHE 163": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5A TYR 176": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5A TYR 179": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5A TYR 204": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5A ASP 226": "OD1" <-> "OD2" Residue "5A TYR 227": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5A TYR 230": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5A TYR 244": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5A TYR 246": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5A ASP 249": "OD1" <-> "OD2" Residue "5A ASP 280": "OD1" <-> "OD2" Residue "5A ASP 284": "OD1" <-> "OD2" Residue "5A ASP 285": "OD1" <-> "OD2" Residue "5A GLU 333": "OE1" <-> "OE2" Residue "5A ASP 344": "OD1" <-> "OD2" Residue "5A GLU 362": "OE1" <-> "OE2" Residue "5A ASP 363": "OD1" <-> "OD2" Residue "5A PHE 381": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5A GLU 388": "OE1" <-> "OE2" Residue "5A ASP 454": "OD1" <-> "OD2" Residue "5A ARG 476": "NH1" <-> "NH2" Residue "5A ASP 485": "OD1" <-> "OD2" Residue "5A ARG 520": "NH1" <-> "NH2" Residue "5A TYR 586": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5A PHE 593": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5A PHE 607": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5A GLU 610": "OE1" <-> "OE2" Residue "5A ARG 619": "NH1" <-> "NH2" Residue "5A GLU 663": "OE1" <-> "OE2" Residue "5A GLU 679": "OE1" <-> "OE2" Residue "5A PHE 680": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5A PHE 685": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5B TYR 10": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5B PHE 17": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5B GLU 25": "OE1" <-> "OE2" Residue "5B PHE 31": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5B ASP 48": "OD1" <-> "OD2" Residue "5B TYR 65": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5B TYR 66": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5B ASP 81": "OD1" <-> "OD2" Residue "5B PHE 99": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5B TYR 103": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5B TYR 107": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5B PHE 113": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5B GLU 157": "OE1" <-> "OE2" Residue "5B PHE 163": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5B TYR 176": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5B TYR 179": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5B TYR 204": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5B ASP 226": "OD1" <-> "OD2" Residue "5B TYR 227": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5B TYR 230": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5B TYR 244": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5B TYR 246": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5B ASP 249": "OD1" <-> "OD2" Residue "5B ASP 280": "OD1" <-> "OD2" Residue "5B ASP 284": "OD1" <-> "OD2" Residue "5B ASP 285": "OD1" <-> "OD2" Residue "5B GLU 333": "OE1" <-> "OE2" Residue "5B ASP 344": "OD1" <-> "OD2" Residue "5B GLU 362": "OE1" <-> "OE2" Residue "5B ASP 363": "OD1" <-> "OD2" Residue "5B PHE 381": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5B GLU 388": "OE1" <-> "OE2" Residue "5B ASP 454": "OD1" <-> "OD2" Residue "5B ARG 476": "NH1" <-> "NH2" Residue "5B ASP 485": "OD1" <-> "OD2" Residue "5B ARG 520": "NH1" <-> "NH2" Residue "5B TYR 586": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5B PHE 593": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5B PHE 607": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5B GLU 610": "OE1" <-> "OE2" Residue "5B ARG 619": "NH1" <-> "NH2" Residue "5B GLU 663": "OE1" <-> "OE2" Residue "5B GLU 679": "OE1" <-> "OE2" Residue "5B PHE 680": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5B PHE 685": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5C TYR 10": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5C PHE 17": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5C GLU 25": "OE1" <-> "OE2" Residue "5C PHE 31": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5C ASP 48": "OD1" <-> "OD2" Residue "5C TYR 65": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5C TYR 66": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5C ASP 81": "OD1" <-> "OD2" Residue "5C PHE 99": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5C TYR 103": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5C TYR 107": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5C PHE 113": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5C GLU 157": "OE1" <-> "OE2" Residue "5C PHE 163": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5C TYR 176": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5C TYR 179": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5C TYR 204": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5C ASP 226": "OD1" <-> "OD2" Residue "5C TYR 227": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5C TYR 230": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5C TYR 244": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5C TYR 246": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5C ASP 249": "OD1" <-> "OD2" Residue "5C ASP 280": "OD1" <-> "OD2" Residue "5C ASP 284": "OD1" <-> "OD2" Residue "5C ASP 285": "OD1" <-> "OD2" Residue "5C GLU 333": "OE1" <-> "OE2" Residue "5C ASP 344": "OD1" <-> "OD2" Residue "5C GLU 362": "OE1" <-> "OE2" Residue "5C ASP 363": "OD1" <-> "OD2" Residue "5C PHE 381": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5C GLU 388": "OE1" <-> "OE2" Residue "5C ASP 454": "OD1" <-> "OD2" Residue "5C ARG 476": "NH1" <-> "NH2" Residue "5C ASP 485": "OD1" <-> "OD2" Residue "5C ARG 520": "NH1" <-> "NH2" Residue "5C TYR 586": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5C PHE 593": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5C PHE 607": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5C GLU 610": "OE1" <-> "OE2" Residue "5C ARG 619": "NH1" <-> "NH2" Residue "5C GLU 663": "OE1" <-> "OE2" Residue "5C GLU 679": "OE1" <-> "OE2" Residue "5C PHE 680": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5C PHE 685": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5D TYR 10": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5D PHE 17": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5D GLU 25": "OE1" <-> "OE2" Residue "5D PHE 31": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5D ASP 48": "OD1" <-> "OD2" Residue "5D TYR 65": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5D TYR 66": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5D ASP 81": "OD1" <-> "OD2" Residue "5D PHE 99": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5D TYR 103": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5D TYR 107": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5D PHE 113": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5D GLU 157": "OE1" <-> "OE2" Residue "5D PHE 163": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5D TYR 176": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5D TYR 179": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5D TYR 204": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5D ASP 226": "OD1" <-> "OD2" Residue "5D TYR 227": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5D TYR 230": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5D TYR 244": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5D TYR 246": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5D ASP 249": "OD1" <-> "OD2" Residue "5D ASP 280": "OD1" <-> "OD2" Residue "5D ASP 284": "OD1" <-> "OD2" Residue "5D ASP 285": "OD1" <-> "OD2" Residue "5D GLU 333": "OE1" <-> "OE2" Residue "5D ASP 344": "OD1" <-> "OD2" Residue "5D GLU 362": "OE1" <-> "OE2" Residue "5D ASP 363": "OD1" <-> "OD2" Residue "5D PHE 381": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5D GLU 388": "OE1" <-> "OE2" Residue "5D ASP 454": "OD1" <-> "OD2" Residue "5D ARG 476": "NH1" <-> "NH2" Residue "5D ASP 485": "OD1" <-> "OD2" Residue "5D ARG 520": "NH1" <-> "NH2" Residue "5D TYR 586": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5D PHE 593": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5D PHE 607": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5D GLU 610": "OE1" <-> "OE2" Residue "5D ARG 619": "NH1" <-> "NH2" Residue "5D GLU 663": "OE1" <-> "OE2" Residue "5D GLU 679": "OE1" <-> "OE2" Residue "5D PHE 680": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5D PHE 685": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5E TYR 10": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5E PHE 17": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5E GLU 25": "OE1" <-> "OE2" Residue "5E PHE 31": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5E ASP 48": "OD1" <-> "OD2" Residue "5E TYR 65": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5E TYR 66": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5E ASP 81": "OD1" <-> "OD2" Residue "5E PHE 99": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5E TYR 103": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5E TYR 107": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5E PHE 113": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5E GLU 157": "OE1" <-> "OE2" Residue "5E PHE 163": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5E TYR 176": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5E TYR 179": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5E TYR 204": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5E ASP 226": "OD1" <-> "OD2" Residue "5E TYR 227": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5E TYR 230": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5E TYR 244": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5E TYR 246": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5E ASP 249": "OD1" <-> "OD2" Residue "5E ASP 280": "OD1" <-> "OD2" Residue "5E ASP 284": "OD1" <-> "OD2" Residue "5E ASP 285": "OD1" <-> "OD2" Residue "5E GLU 333": "OE1" <-> "OE2" Residue "5E ASP 344": "OD1" <-> "OD2" Residue "5E GLU 362": "OE1" <-> "OE2" Residue "5E ASP 363": "OD1" <-> "OD2" Residue "5E PHE 381": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5E GLU 388": "OE1" <-> "OE2" Residue "5E ASP 454": "OD1" <-> "OD2" Residue "5E ARG 476": "NH1" <-> "NH2" Residue "5E ASP 485": "OD1" <-> "OD2" Residue "5E ARG 520": "NH1" <-> "NH2" Residue "5E TYR 586": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5E PHE 593": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5E PHE 607": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5E GLU 610": "OE1" <-> "OE2" Residue "5E ARG 619": "NH1" <-> "NH2" Residue "5E GLU 663": "OE1" <-> "OE2" Residue "5E GLU 679": "OE1" <-> "OE2" Residue "5E PHE 680": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5E PHE 685": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5F TYR 10": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5F PHE 17": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5F GLU 25": "OE1" <-> "OE2" Residue "5F PHE 31": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5F ASP 48": "OD1" <-> "OD2" Residue "5F TYR 65": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5F TYR 66": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5F ASP 81": "OD1" <-> "OD2" Residue "5F PHE 99": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5F TYR 103": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5F TYR 107": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5F PHE 113": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5F GLU 157": "OE1" <-> "OE2" Residue "5F PHE 163": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5F TYR 176": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5F TYR 179": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5F TYR 204": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5F ASP 226": "OD1" <-> "OD2" Residue "5F TYR 227": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5F TYR 230": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5F TYR 244": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5F TYR 246": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5F ASP 249": "OD1" <-> "OD2" Residue "5F ASP 280": "OD1" <-> "OD2" Residue "5F ASP 284": "OD1" <-> "OD2" Residue "5F ASP 285": "OD1" <-> "OD2" Residue "5F GLU 333": "OE1" <-> "OE2" Residue "5F ASP 344": "OD1" <-> "OD2" Residue "5F GLU 362": "OE1" <-> "OE2" Residue "5F ASP 363": "OD1" <-> "OD2" Residue "5F PHE 381": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5F GLU 388": "OE1" <-> "OE2" Residue "5F ASP 454": "OD1" <-> "OD2" Residue "5F ARG 476": "NH1" <-> "NH2" Residue "5F ASP 485": "OD1" <-> "OD2" Residue "5F ARG 520": "NH1" <-> "NH2" Residue "5F TYR 586": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5F PHE 593": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5F PHE 607": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5F GLU 610": "OE1" <-> "OE2" Residue "5F ARG 619": "NH1" <-> "NH2" Residue "5F GLU 663": "OE1" <-> "OE2" Residue "5F GLU 679": "OE1" <-> "OE2" Residue "5F PHE 680": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5F PHE 685": "CD1" <-> "CD2" "CE1" <-> "CE2" Time to flip residues: 0.24s Monomer Library directory: "/net/cci-filer2/raid1/xp/phenix/phenix-dev-4597/modules/chem_data/mon_lib" Total number of atoms: 91116 Number of models: 1 Model: "" Number of chains: 18 Chain: "3A" Number of atoms: 5062 Number of conformers: 1 Conformer: "" Number of residues, atoms: 656, 5062 Classifications: {'peptide': 656} Incomplete info: {'truncation_to_alanine': 15} Link IDs: {'PTRANS': 28, 'TRANS': 626, 'PCIS': 1} Chain breaks: 1 Unresolved non-hydrogen bonds: 46 Unresolved non-hydrogen angles: 63 Unresolved non-hydrogen dihedrals: 34 Unresolved non-hydrogen chiralities: 9 Planarities with less than four sites: {'TYR:plan': 1, 'PHE:plan': 1, 'ASN:plan1': 1, 'ASP:plan': 2} Unresolved non-hydrogen planarities: 22 Chain: "3B" Number of atoms: 5062 Number of conformers: 1 Conformer: "" Number of residues, atoms: 656, 5062 Classifications: {'peptide': 656} Incomplete info: {'truncation_to_alanine': 15} Link IDs: {'PTRANS': 28, 'TRANS': 626, 'PCIS': 1} Chain breaks: 1 Unresolved non-hydrogen bonds: 46 Unresolved non-hydrogen angles: 63 Unresolved non-hydrogen dihedrals: 34 Unresolved non-hydrogen chiralities: 9 Planarities with less than four sites: {'TYR:plan': 1, 'PHE:plan': 1, 'ASN:plan1': 1, 'ASP:plan': 2} Unresolved non-hydrogen planarities: 22 Chain: "3C" Number of atoms: 5062 Number of conformers: 1 Conformer: "" Number of residues, atoms: 656, 5062 Classifications: {'peptide': 656} Incomplete info: {'truncation_to_alanine': 15} Link IDs: {'PTRANS': 28, 'TRANS': 626, 'PCIS': 1} Chain breaks: 1 Unresolved non-hydrogen bonds: 46 Unresolved non-hydrogen angles: 63 Unresolved non-hydrogen dihedrals: 34 Unresolved non-hydrogen chiralities: 9 Planarities with less than four sites: {'TYR:plan': 1, 'PHE:plan': 1, 'ASN:plan1': 1, 'ASP:plan': 2} Unresolved non-hydrogen planarities: 22 Chain: "3D" Number of atoms: 5062 Number of conformers: 1 Conformer: "" Number of residues, atoms: 656, 5062 Classifications: {'peptide': 656} Incomplete info: {'truncation_to_alanine': 15} Link IDs: {'PTRANS': 28, 'TRANS': 626, 'PCIS': 1} Chain breaks: 1 Unresolved non-hydrogen bonds: 46 Unresolved non-hydrogen angles: 63 Unresolved non-hydrogen dihedrals: 34 Unresolved non-hydrogen chiralities: 9 Planarities with less than four sites: {'TYR:plan': 1, 'PHE:plan': 1, 'ASN:plan1': 1, 'ASP:plan': 2} Unresolved non-hydrogen planarities: 22 Chain: "3E" Number of atoms: 5062 Number of conformers: 1 Conformer: "" Number of residues, atoms: 656, 5062 Classifications: {'peptide': 656} Incomplete info: {'truncation_to_alanine': 15} Link IDs: {'PTRANS': 28, 'TRANS': 626, 'PCIS': 1} Chain breaks: 1 Unresolved non-hydrogen bonds: 46 Unresolved non-hydrogen angles: 63 Unresolved non-hydrogen dihedrals: 34 Unresolved non-hydrogen chiralities: 9 Planarities with less than four sites: {'TYR:plan': 1, 'PHE:plan': 1, 'ASN:plan1': 1, 'ASP:plan': 2} Unresolved non-hydrogen planarities: 22 Chain: "3F" Number of atoms: 5062 Number of conformers: 1 Conformer: "" Number of residues, atoms: 656, 5062 Classifications: {'peptide': 656} Incomplete info: {'truncation_to_alanine': 15} Link IDs: {'PTRANS': 28, 'TRANS': 626, 'PCIS': 1} Chain breaks: 1 Unresolved non-hydrogen bonds: 46 Unresolved non-hydrogen angles: 63 Unresolved non-hydrogen dihedrals: 34 Unresolved non-hydrogen chiralities: 9 Planarities with less than four sites: {'TYR:plan': 1, 'PHE:plan': 1, 'ASN:plan1': 1, 'ASP:plan': 2} Unresolved non-hydrogen planarities: 22 Chain: "4A" Number of atoms: 5062 Number of conformers: 1 Conformer: "" Number of residues, atoms: 656, 5062 Classifications: {'peptide': 656} Incomplete info: {'truncation_to_alanine': 15} Link IDs: {'PTRANS': 28, 'TRANS': 626, 'PCIS': 1} Chain breaks: 1 Unresolved non-hydrogen bonds: 46 Unresolved non-hydrogen angles: 63 Unresolved non-hydrogen dihedrals: 34 Unresolved non-hydrogen chiralities: 9 Planarities with less than four sites: {'TYR:plan': 1, 'PHE:plan': 1, 'ASN:plan1': 1, 'ASP:plan': 2} Unresolved non-hydrogen planarities: 22 Chain: "4B" Number of atoms: 5062 Number of conformers: 1 Conformer: "" Number of residues, atoms: 656, 5062 Classifications: {'peptide': 656} Incomplete info: {'truncation_to_alanine': 15} Link IDs: {'PTRANS': 28, 'TRANS': 626, 'PCIS': 1} Chain breaks: 1 Unresolved non-hydrogen bonds: 46 Unresolved non-hydrogen angles: 63 Unresolved non-hydrogen dihedrals: 34 Unresolved non-hydrogen chiralities: 9 Planarities with less than four sites: {'TYR:plan': 1, 'PHE:plan': 1, 'ASN:plan1': 1, 'ASP:plan': 2} Unresolved non-hydrogen planarities: 22 Chain: "4C" Number of atoms: 5062 Number of conformers: 1 Conformer: "" Number of residues, atoms: 656, 5062 Classifications: {'peptide': 656} Incomplete info: {'truncation_to_alanine': 15} Link IDs: {'PTRANS': 28, 'TRANS': 626, 'PCIS': 1} Chain breaks: 1 Unresolved non-hydrogen bonds: 46 Unresolved non-hydrogen angles: 63 Unresolved non-hydrogen dihedrals: 34 Unresolved non-hydrogen chiralities: 9 Planarities with less than four sites: {'TYR:plan': 1, 'PHE:plan': 1, 'ASN:plan1': 1, 'ASP:plan': 2} Unresolved non-hydrogen planarities: 22 Chain: "4D" Number of atoms: 5062 Number of conformers: 1 Conformer: "" Number of residues, atoms: 656, 5062 Classifications: {'peptide': 656} Incomplete info: {'truncation_to_alanine': 15} Link IDs: {'PTRANS': 28, 'TRANS': 626, 'PCIS': 1} Chain breaks: 1 Unresolved non-hydrogen bonds: 46 Unresolved non-hydrogen angles: 63 Unresolved non-hydrogen dihedrals: 34 Unresolved non-hydrogen chiralities: 9 Planarities with less than four sites: {'TYR:plan': 1, 'PHE:plan': 1, 'ASN:plan1': 1, 'ASP:plan': 2} Unresolved non-hydrogen planarities: 22 Chain: "4E" Number of atoms: 5062 Number of conformers: 1 Conformer: "" Number of residues, atoms: 656, 5062 Classifications: {'peptide': 656} Incomplete info: {'truncation_to_alanine': 15} Link IDs: {'PTRANS': 28, 'TRANS': 626, 'PCIS': 1} Chain breaks: 1 Unresolved non-hydrogen bonds: 46 Unresolved non-hydrogen angles: 63 Unresolved non-hydrogen dihedrals: 34 Unresolved non-hydrogen chiralities: 9 Planarities with less than four sites: {'TYR:plan': 1, 'PHE:plan': 1, 'ASN:plan1': 1, 'ASP:plan': 2} Unresolved non-hydrogen planarities: 22 Chain: "4F" Number of atoms: 5062 Number of conformers: 1 Conformer: "" Number of residues, atoms: 656, 5062 Classifications: {'peptide': 656} Incomplete info: {'truncation_to_alanine': 15} Link IDs: {'PTRANS': 28, 'TRANS': 626, 'PCIS': 1} Chain breaks: 1 Unresolved non-hydrogen bonds: 46 Unresolved non-hydrogen angles: 63 Unresolved non-hydrogen dihedrals: 34 Unresolved non-hydrogen chiralities: 9 Planarities with less than four sites: {'TYR:plan': 1, 'PHE:plan': 1, 'ASN:plan1': 1, 'ASP:plan': 2} Unresolved non-hydrogen planarities: 22 Chain: "5A" Number of atoms: 5062 Number of conformers: 1 Conformer: "" Number of residues, atoms: 656, 5062 Classifications: {'peptide': 656} Incomplete info: {'truncation_to_alanine': 15} Link IDs: {'PTRANS': 28, 'TRANS': 626, 'PCIS': 1} Chain breaks: 1 Unresolved non-hydrogen bonds: 46 Unresolved non-hydrogen angles: 63 Unresolved non-hydrogen dihedrals: 34 Unresolved non-hydrogen chiralities: 9 Planarities with less than four sites: {'TYR:plan': 1, 'PHE:plan': 1, 'ASN:plan1': 1, 'ASP:plan': 2} Unresolved non-hydrogen planarities: 22 Chain: "5B" Number of atoms: 5062 Number of conformers: 1 Conformer: "" Number of residues, atoms: 656, 5062 Classifications: {'peptide': 656} Incomplete info: {'truncation_to_alanine': 15} Link IDs: {'PTRANS': 28, 'TRANS': 626, 'PCIS': 1} Chain breaks: 1 Unresolved non-hydrogen bonds: 46 Unresolved non-hydrogen angles: 63 Unresolved non-hydrogen dihedrals: 34 Unresolved non-hydrogen chiralities: 9 Planarities with less than four sites: {'TYR:plan': 1, 'PHE:plan': 1, 'ASN:plan1': 1, 'ASP:plan': 2} Unresolved non-hydrogen planarities: 22 Chain: "5C" Number of atoms: 5062 Number of conformers: 1 Conformer: "" Number of residues, atoms: 656, 5062 Classifications: {'peptide': 656} Incomplete info: {'truncation_to_alanine': 15} Link IDs: {'PTRANS': 28, 'TRANS': 626, 'PCIS': 1} Chain breaks: 1 Unresolved non-hydrogen bonds: 46 Unresolved non-hydrogen angles: 63 Unresolved non-hydrogen dihedrals: 34 Unresolved non-hydrogen chiralities: 9 Planarities with less than four sites: {'TYR:plan': 1, 'PHE:plan': 1, 'ASN:plan1': 1, 'ASP:plan': 2} Unresolved non-hydrogen planarities: 22 Chain: "5D" Number of atoms: 5062 Number of conformers: 1 Conformer: "" Number of residues, atoms: 656, 5062 Classifications: {'peptide': 656} Incomplete info: {'truncation_to_alanine': 15} Link IDs: {'PTRANS': 28, 'TRANS': 626, 'PCIS': 1} Chain breaks: 1 Unresolved non-hydrogen bonds: 46 Unresolved non-hydrogen angles: 63 Unresolved non-hydrogen dihedrals: 34 Unresolved non-hydrogen chiralities: 9 Planarities with less than four sites: {'TYR:plan': 1, 'PHE:plan': 1, 'ASN:plan1': 1, 'ASP:plan': 2} Unresolved non-hydrogen planarities: 22 Chain: "5E" Number of atoms: 5062 Number of conformers: 1 Conformer: "" Number of residues, atoms: 656, 5062 Classifications: {'peptide': 656} Incomplete info: {'truncation_to_alanine': 15} Link IDs: {'PTRANS': 28, 'TRANS': 626, 'PCIS': 1} Chain breaks: 1 Unresolved non-hydrogen bonds: 46 Unresolved non-hydrogen angles: 63 Unresolved non-hydrogen dihedrals: 34 Unresolved non-hydrogen chiralities: 9 Planarities with less than four sites: {'TYR:plan': 1, 'PHE:plan': 1, 'ASN:plan1': 1, 'ASP:plan': 2} Unresolved non-hydrogen planarities: 22 Chain: "5F" Number of atoms: 5062 Number of conformers: 1 Conformer: "" Number of residues, atoms: 656, 5062 Classifications: {'peptide': 656} Incomplete info: {'truncation_to_alanine': 15} Link IDs: {'PTRANS': 28, 'TRANS': 626, 'PCIS': 1} Chain breaks: 1 Unresolved non-hydrogen bonds: 46 Unresolved non-hydrogen angles: 63 Unresolved non-hydrogen dihedrals: 34 Unresolved non-hydrogen chiralities: 9 Planarities with less than four sites: {'TYR:plan': 1, 'PHE:plan': 1, 'ASN:plan1': 1, 'ASP:plan': 2} Unresolved non-hydrogen planarities: 22 Time building chain proxies: 36.99, per 1000 atoms: 0.41 Number of scatterers: 91116 At special positions: 0 Unit cell: (337.7, 337.7, 103.4, 90, 90, 90) Space group: P 1 (No. 1) Number of sites at special positions: 0 Number of scattering types: 4 Type Number sf(0) S 216 16.00 O 18180 8.00 N 14994 7.00 C 57726 6.00 sf(0) = scattering factor at diffraction angle 0. Number of disulfides: simple=0, symmetry=0 Automatic linking Parameters for automatic linking Linking & cutoffs Metal : Auto - 3.50 Amino acid : False - 1.90 Carbohydrate : True - 1.99 Ligands : True - 1.99 Small molecules : False - 1.98 Amino acid - RNA/DNA : False Number of custom bonds: simple=0, symmetry=0 Time building additional restraints: 25.95 Conformation dependent library (CDL) restraints added in 12.0 seconds 23472 Ramachandran restraints generated. 11736 Oldfield, 0 Emsley, 11736 emsley8k and 0 Phi/Psi/2. Adding C-beta torsion restraints... Number of C-beta restraints generated: 22320 Finding SS restraints... Secondary structure from input PDB file: 504 helices and 96 sheets defined 47.3% alpha, 11.9% beta 0 base pairs and 0 stacking pairs defined. Time for finding SS restraints: 4.88 Creating SS restraints... Processing helix chain '3A' and resid 58 through 66 removed outlier: 3.633A pdb=" N TYR3A 65 " --> pdb=" O ASP3A 61 " (cutoff:3.500A) Processing helix chain '3A' and resid 104 through 115 Processing helix chain '3A' and resid 141 through 153 removed outlier: 3.831A pdb=" N LEU3A 145 " --> pdb=" O ASN3A 141 " (cutoff:3.500A) removed outlier: 3.759A pdb=" N VAL3A 151 " --> pdb=" O SER3A 147 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N ILE3A 152 " --> pdb=" O GLY3A 148 " (cutoff:3.500A) removed outlier: 3.596A pdb=" N ARG3A 153 " --> pdb=" O LEU3A 149 " (cutoff:3.500A) Processing helix chain '3A' and resid 165 through 169 Processing helix chain '3A' and resid 171 through 190 removed outlier: 3.564A pdb=" N PHE3A 175 " --> pdb=" O THR3A 171 " (cutoff:3.500A) Processing helix chain '3A' and resid 212 through 221 Processing helix chain '3A' and resid 224 through 229 Processing helix chain '3A' and resid 247 through 251 removed outlier: 3.762A pdb=" N ILE3A 251 " --> pdb=" O ALA3A 248 " (cutoff:3.500A) Processing helix chain '3A' and resid 261 through 274 removed outlier: 3.502A pdb=" N ASN3A 269 " --> pdb=" O THR3A 265 " (cutoff:3.500A) Processing helix chain '3A' and resid 279 through 287 removed outlier: 3.738A pdb=" N LEU3A 283 " --> pdb=" O ILE3A 279 " (cutoff:3.500A) removed outlier: 4.057A pdb=" N ASP3A 285 " --> pdb=" O ALA3A 281 " (cutoff:3.500A) removed outlier: 3.700A pdb=" N LEU3A 286 " --> pdb=" O ILE3A 282 " (cutoff:3.500A) Processing helix chain '3A' and resid 322 through 358 removed outlier: 3.696A pdb=" N SER3A 330 " --> pdb=" O ALA3A 326 " (cutoff:3.500A) removed outlier: 3.568A pdb=" N LEU3A 331 " --> pdb=" O ASN3A 327 " (cutoff:3.500A) removed outlier: 3.737A pdb=" N GLU3A 341 " --> pdb=" O SER3A 337 " (cutoff:3.500A) removed outlier: 3.520A pdb=" N GLU3A 348 " --> pdb=" O ASP3A 344 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N ASN3A 350 " --> pdb=" O LYS3A 346 " (cutoff:3.500A) removed outlier: 3.555A pdb=" N LYS3A 351 " --> pdb=" O GLU3A 347 " (cutoff:3.500A) removed outlier: 3.616A pdb=" N ASP3A 352 " --> pdb=" O GLU3A 348 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N SER3A 355 " --> pdb=" O LYS3A 351 " (cutoff:3.500A) Processing helix chain '3A' and resid 363 through 378 removed outlier: 3.570A pdb=" N LYS3A 367 " --> pdb=" O ASP3A 363 " (cutoff:3.500A) removed outlier: 3.542A pdb=" N VAL3A 376 " --> pdb=" O ASP3A 372 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N PHE3A 377 " --> pdb=" O ALA3A 373 " (cutoff:3.500A) Processing helix chain '3A' and resid 386 through 404 removed outlier: 3.678A pdb=" N ALA3A 391 " --> pdb=" O ILE3A 387 " (cutoff:3.500A) removed outlier: 4.234A pdb=" N LYS3A 392 " --> pdb=" O GLU3A 388 " (cutoff:3.500A) removed outlier: 3.948A pdb=" N SER3A 395 " --> pdb=" O ALA3A 391 " (cutoff:3.500A) removed outlier: 3.723A pdb=" N LYS3A 402 " --> pdb=" O LEU3A 398 " (cutoff:3.500A) Processing helix chain '3A' and resid 405 through 407 No H-bonds generated for 'chain '3A' and resid 405 through 407' Processing helix chain '3A' and resid 410 through 415 removed outlier: 3.573A pdb=" N SER3A 415 " --> pdb=" O GLU3A 411 " (cutoff:3.500A) Processing helix chain '3A' and resid 419 through 425 removed outlier: 4.181A pdb=" N ALA3A 423 " --> pdb=" O LEU3A 419 " (cutoff:3.500A) removed outlier: 3.979A pdb=" N PHE3A 425 " --> pdb=" O PHE3A 421 " (cutoff:3.500A) Processing helix chain '3A' and resid 426 through 428 No H-bonds generated for 'chain '3A' and resid 426 through 428' Processing helix chain '3A' and resid 431 through 435 removed outlier: 3.751A pdb=" N ASN3A 434 " --> pdb=" O TYR3A 431 " (cutoff:3.500A) removed outlier: 3.998A pdb=" N THR3A 435 " --> pdb=" O ASP3A 432 " (cutoff:3.500A) No H-bonds generated for 'chain '3A' and resid 431 through 435' Processing helix chain '3A' and resid 448 through 460 removed outlier: 3.714A pdb=" N ASP3A 455 " --> pdb=" O THR3A 451 " (cutoff:3.500A) removed outlier: 3.562A pdb=" N ILE3A 456 " --> pdb=" O ARG3A 452 " (cutoff:3.500A) Processing helix chain '3A' and resid 478 through 482 removed outlier: 3.744A pdb=" N GLU3A 482 " --> pdb=" O SER3A 479 " (cutoff:3.500A) Processing helix chain '3A' and resid 485 through 497 removed outlier: 3.517A pdb=" N LEU3A 494 " --> pdb=" O ASN3A 490 " (cutoff:3.500A) Processing helix chain '3A' and resid 505 through 520 Processing helix chain '3A' and resid 546 through 551 Processing helix chain '3A' and resid 586 through 605 removed outlier: 3.626A pdb=" N GLU3A 598 " --> pdb=" O ASN3A 594 " (cutoff:3.500A) removed outlier: 3.789A pdb=" N GLU3A 605 " --> pdb=" O LYS3A 601 " (cutoff:3.500A) Processing helix chain '3A' and resid 606 through 608 No H-bonds generated for 'chain '3A' and resid 606 through 608' Processing helix chain '3A' and resid 613 through 634 removed outlier: 3.735A pdb=" N ARG3A 619 " --> pdb=" O ASN3A 615 " (cutoff:3.500A) removed outlier: 3.686A pdb=" N LEU3A 630 " --> pdb=" O ASN3A 626 " (cutoff:3.500A) removed outlier: 3.509A pdb=" N GLN3A 631 " --> pdb=" O PHE3A 627 " (cutoff:3.500A) Processing helix chain '3A' and resid 641 through 645 removed outlier: 3.765A pdb=" N ALA3A 645 " --> pdb=" O LYS3A 641 " (cutoff:3.500A) No H-bonds generated for 'chain '3A' and resid 641 through 645' Processing helix chain '3A' and resid 657 through 664 Processing helix chain '3B' and resid 58 through 66 removed outlier: 3.632A pdb=" N TYR3B 65 " --> pdb=" O ASP3B 61 " (cutoff:3.500A) Processing helix chain '3B' and resid 104 through 115 Processing helix chain '3B' and resid 141 through 153 removed outlier: 3.831A pdb=" N LEU3B 145 " --> pdb=" O ASN3B 141 " (cutoff:3.500A) removed outlier: 3.759A pdb=" N VAL3B 151 " --> pdb=" O SER3B 147 " (cutoff:3.500A) removed outlier: 3.509A pdb=" N ILE3B 152 " --> pdb=" O GLY3B 148 " (cutoff:3.500A) removed outlier: 3.596A pdb=" N ARG3B 153 " --> pdb=" O LEU3B 149 " (cutoff:3.500A) Processing helix chain '3B' and resid 165 through 169 Processing helix chain '3B' and resid 171 through 190 removed outlier: 3.564A pdb=" N PHE3B 175 " --> pdb=" O THR3B 171 " (cutoff:3.500A) Processing helix chain '3B' and resid 212 through 221 Processing helix chain '3B' and resid 224 through 229 Processing helix chain '3B' and resid 247 through 251 removed outlier: 3.762A pdb=" N ILE3B 251 " --> pdb=" O ALA3B 248 " (cutoff:3.500A) Processing helix chain '3B' and resid 261 through 274 removed outlier: 3.502A pdb=" N ASN3B 269 " --> pdb=" O THR3B 265 " (cutoff:3.500A) Processing helix chain '3B' and resid 279 through 287 removed outlier: 3.739A pdb=" N LEU3B 283 " --> pdb=" O ILE3B 279 " (cutoff:3.500A) removed outlier: 4.059A pdb=" N ASP3B 285 " --> pdb=" O ALA3B 281 " (cutoff:3.500A) removed outlier: 3.700A pdb=" N LEU3B 286 " --> pdb=" O ILE3B 282 " (cutoff:3.500A) Processing helix chain '3B' and resid 322 through 358 removed outlier: 3.696A pdb=" N SER3B 330 " --> pdb=" O ALA3B 326 " (cutoff:3.500A) removed outlier: 3.567A pdb=" N LEU3B 331 " --> pdb=" O ASN3B 327 " (cutoff:3.500A) removed outlier: 3.738A pdb=" N GLU3B 341 " --> pdb=" O SER3B 337 " (cutoff:3.500A) removed outlier: 3.520A pdb=" N GLU3B 348 " --> pdb=" O ASP3B 344 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N ASN3B 350 " --> pdb=" O LYS3B 346 " (cutoff:3.500A) removed outlier: 3.555A pdb=" N LYS3B 351 " --> pdb=" O GLU3B 347 " (cutoff:3.500A) removed outlier: 3.617A pdb=" N ASP3B 352 " --> pdb=" O GLU3B 348 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N SER3B 355 " --> pdb=" O LYS3B 351 " (cutoff:3.500A) Processing helix chain '3B' and resid 363 through 378 removed outlier: 3.571A pdb=" N LYS3B 367 " --> pdb=" O ASP3B 363 " (cutoff:3.500A) removed outlier: 3.542A pdb=" N VAL3B 376 " --> pdb=" O ASP3B 372 " (cutoff:3.500A) removed outlier: 3.514A pdb=" N PHE3B 377 " --> pdb=" O ALA3B 373 " (cutoff:3.500A) Processing helix chain '3B' and resid 386 through 404 removed outlier: 3.678A pdb=" N ALA3B 391 " --> pdb=" O ILE3B 387 " (cutoff:3.500A) removed outlier: 4.234A pdb=" N LYS3B 392 " --> pdb=" O GLU3B 388 " (cutoff:3.500A) removed outlier: 3.948A pdb=" N SER3B 395 " --> pdb=" O ALA3B 391 " (cutoff:3.500A) removed outlier: 3.722A pdb=" N LYS3B 402 " --> pdb=" O LEU3B 398 " (cutoff:3.500A) Processing helix chain '3B' and resid 405 through 407 No H-bonds generated for 'chain '3B' and resid 405 through 407' Processing helix chain '3B' and resid 410 through 415 removed outlier: 3.572A pdb=" N SER3B 415 " --> pdb=" O GLU3B 411 " (cutoff:3.500A) Processing helix chain '3B' and resid 419 through 425 removed outlier: 4.182A pdb=" N ALA3B 423 " --> pdb=" O LEU3B 419 " (cutoff:3.500A) removed outlier: 3.979A pdb=" N PHE3B 425 " --> pdb=" O PHE3B 421 " (cutoff:3.500A) Processing helix chain '3B' and resid 426 through 428 No H-bonds generated for 'chain '3B' and resid 426 through 428' Processing helix chain '3B' and resid 431 through 435 removed outlier: 3.752A pdb=" N ASN3B 434 " --> pdb=" O TYR3B 431 " (cutoff:3.500A) removed outlier: 3.998A pdb=" N THR3B 435 " --> pdb=" O ASP3B 432 " (cutoff:3.500A) No H-bonds generated for 'chain '3B' and resid 431 through 435' Processing helix chain '3B' and resid 448 through 460 removed outlier: 3.713A pdb=" N ASP3B 455 " --> pdb=" O THR3B 451 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N ILE3B 456 " --> pdb=" O ARG3B 452 " (cutoff:3.500A) Processing helix chain '3B' and resid 478 through 482 removed outlier: 3.744A pdb=" N GLU3B 482 " --> pdb=" O SER3B 479 " (cutoff:3.500A) Processing helix chain '3B' and resid 485 through 497 removed outlier: 3.517A pdb=" N LEU3B 494 " --> pdb=" O ASN3B 490 " (cutoff:3.500A) Processing helix chain '3B' and resid 505 through 520 Processing helix chain '3B' and resid 546 through 551 Processing helix chain '3B' and resid 586 through 605 removed outlier: 3.626A pdb=" N GLU3B 598 " --> pdb=" O ASN3B 594 " (cutoff:3.500A) removed outlier: 3.790A pdb=" N GLU3B 605 " --> pdb=" O LYS3B 601 " (cutoff:3.500A) Processing helix chain '3B' and resid 606 through 608 No H-bonds generated for 'chain '3B' and resid 606 through 608' Processing helix chain '3B' and resid 613 through 634 removed outlier: 3.736A pdb=" N ARG3B 619 " --> pdb=" O ASN3B 615 " (cutoff:3.500A) removed outlier: 3.686A pdb=" N LEU3B 630 " --> pdb=" O ASN3B 626 " (cutoff:3.500A) removed outlier: 3.508A pdb=" N GLN3B 631 " --> pdb=" O PHE3B 627 " (cutoff:3.500A) Processing helix chain '3B' and resid 641 through 645 removed outlier: 3.765A pdb=" N ALA3B 645 " --> pdb=" O LYS3B 641 " (cutoff:3.500A) No H-bonds generated for 'chain '3B' and resid 641 through 645' Processing helix chain '3B' and resid 657 through 664 Processing helix chain '3C' and resid 58 through 66 removed outlier: 3.633A pdb=" N TYR3C 65 " --> pdb=" O ASP3C 61 " (cutoff:3.500A) Processing helix chain '3C' and resid 104 through 115 Processing helix chain '3C' and resid 141 through 153 removed outlier: 3.832A pdb=" N LEU3C 145 " --> pdb=" O ASN3C 141 " (cutoff:3.500A) removed outlier: 3.760A pdb=" N VAL3C 151 " --> pdb=" O SER3C 147 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N ILE3C 152 " --> pdb=" O GLY3C 148 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N ARG3C 153 " --> pdb=" O LEU3C 149 " (cutoff:3.500A) Processing helix chain '3C' and resid 165 through 169 Processing helix chain '3C' and resid 171 through 190 removed outlier: 3.565A pdb=" N PHE3C 175 " --> pdb=" O THR3C 171 " (cutoff:3.500A) Processing helix chain '3C' and resid 212 through 221 Processing helix chain '3C' and resid 224 through 229 Processing helix chain '3C' and resid 247 through 251 removed outlier: 3.762A pdb=" N ILE3C 251 " --> pdb=" O ALA3C 248 " (cutoff:3.500A) Processing helix chain '3C' and resid 261 through 274 removed outlier: 3.502A pdb=" N ASN3C 269 " --> pdb=" O THR3C 265 " (cutoff:3.500A) Processing helix chain '3C' and resid 279 through 287 removed outlier: 3.738A pdb=" N LEU3C 283 " --> pdb=" O ILE3C 279 " (cutoff:3.500A) removed outlier: 4.057A pdb=" N ASP3C 285 " --> pdb=" O ALA3C 281 " (cutoff:3.500A) removed outlier: 3.701A pdb=" N LEU3C 286 " --> pdb=" O ILE3C 282 " (cutoff:3.500A) Processing helix chain '3C' and resid 322 through 358 removed outlier: 3.696A pdb=" N SER3C 330 " --> pdb=" O ALA3C 326 " (cutoff:3.500A) removed outlier: 3.568A pdb=" N LEU3C 331 " --> pdb=" O ASN3C 327 " (cutoff:3.500A) removed outlier: 3.737A pdb=" N GLU3C 341 " --> pdb=" O SER3C 337 " (cutoff:3.500A) removed outlier: 3.521A pdb=" N GLU3C 348 " --> pdb=" O ASP3C 344 " (cutoff:3.500A) removed outlier: 3.548A pdb=" N ASN3C 350 " --> pdb=" O LYS3C 346 " (cutoff:3.500A) removed outlier: 3.555A pdb=" N LYS3C 351 " --> pdb=" O GLU3C 347 " (cutoff:3.500A) removed outlier: 3.616A pdb=" N ASP3C 352 " --> pdb=" O GLU3C 348 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N SER3C 355 " --> pdb=" O LYS3C 351 " (cutoff:3.500A) Processing helix chain '3C' and resid 363 through 378 removed outlier: 3.571A pdb=" N LYS3C 367 " --> pdb=" O ASP3C 363 " (cutoff:3.500A) removed outlier: 3.541A pdb=" N VAL3C 376 " --> pdb=" O ASP3C 372 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N PHE3C 377 " --> pdb=" O ALA3C 373 " (cutoff:3.500A) Processing helix chain '3C' and resid 386 through 404 removed outlier: 3.678A pdb=" N ALA3C 391 " --> pdb=" O ILE3C 387 " (cutoff:3.500A) removed outlier: 4.234A pdb=" N LYS3C 392 " --> pdb=" O GLU3C 388 " (cutoff:3.500A) removed outlier: 3.947A pdb=" N SER3C 395 " --> pdb=" O ALA3C 391 " (cutoff:3.500A) removed outlier: 3.722A pdb=" N LYS3C 402 " --> pdb=" O LEU3C 398 " (cutoff:3.500A) Processing helix chain '3C' and resid 405 through 407 No H-bonds generated for 'chain '3C' and resid 405 through 407' Processing helix chain '3C' and resid 410 through 415 removed outlier: 3.573A pdb=" N SER3C 415 " --> pdb=" O GLU3C 411 " (cutoff:3.500A) Processing helix chain '3C' and resid 419 through 425 removed outlier: 4.181A pdb=" N ALA3C 423 " --> pdb=" O LEU3C 419 " (cutoff:3.500A) removed outlier: 3.979A pdb=" N PHE3C 425 " --> pdb=" O PHE3C 421 " (cutoff:3.500A) Processing helix chain '3C' and resid 426 through 428 No H-bonds generated for 'chain '3C' and resid 426 through 428' Processing helix chain '3C' and resid 431 through 435 removed outlier: 3.751A pdb=" N ASN3C 434 " --> pdb=" O TYR3C 431 " (cutoff:3.500A) removed outlier: 3.997A pdb=" N THR3C 435 " --> pdb=" O ASP3C 432 " (cutoff:3.500A) No H-bonds generated for 'chain '3C' and resid 431 through 435' Processing helix chain '3C' and resid 448 through 460 removed outlier: 3.714A pdb=" N ASP3C 455 " --> pdb=" O THR3C 451 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N ILE3C 456 " --> pdb=" O ARG3C 452 " (cutoff:3.500A) Processing helix chain '3C' and resid 478 through 482 removed outlier: 3.745A pdb=" N GLU3C 482 " --> pdb=" O SER3C 479 " (cutoff:3.500A) Processing helix chain '3C' and resid 485 through 497 removed outlier: 3.518A pdb=" N LEU3C 494 " --> pdb=" O ASN3C 490 " (cutoff:3.500A) Processing helix chain '3C' and resid 505 through 520 Processing helix chain '3C' and resid 546 through 551 Processing helix chain '3C' and resid 586 through 605 removed outlier: 3.625A pdb=" N GLU3C 598 " --> pdb=" O ASN3C 594 " (cutoff:3.500A) removed outlier: 3.790A pdb=" N GLU3C 605 " --> pdb=" O LYS3C 601 " (cutoff:3.500A) Processing helix chain '3C' and resid 606 through 608 No H-bonds generated for 'chain '3C' and resid 606 through 608' Processing helix chain '3C' and resid 613 through 634 removed outlier: 3.735A pdb=" N ARG3C 619 " --> pdb=" O ASN3C 615 " (cutoff:3.500A) removed outlier: 3.686A pdb=" N LEU3C 630 " --> pdb=" O ASN3C 626 " (cutoff:3.500A) removed outlier: 3.508A pdb=" N GLN3C 631 " --> pdb=" O PHE3C 627 " (cutoff:3.500A) Processing helix chain '3C' and resid 641 through 645 removed outlier: 3.766A pdb=" N ALA3C 645 " --> pdb=" O LYS3C 641 " (cutoff:3.500A) No H-bonds generated for 'chain '3C' and resid 641 through 645' Processing helix chain '3C' and resid 657 through 664 Processing helix chain '3D' and resid 58 through 66 removed outlier: 3.633A pdb=" N TYR3D 65 " --> pdb=" O ASP3D 61 " (cutoff:3.500A) Processing helix chain '3D' and resid 104 through 115 Processing helix chain '3D' and resid 141 through 153 removed outlier: 3.832A pdb=" N LEU3D 145 " --> pdb=" O ASN3D 141 " (cutoff:3.500A) removed outlier: 3.758A pdb=" N VAL3D 151 " --> pdb=" O SER3D 147 " (cutoff:3.500A) removed outlier: 3.509A pdb=" N ILE3D 152 " --> pdb=" O GLY3D 148 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N ARG3D 153 " --> pdb=" O LEU3D 149 " (cutoff:3.500A) Processing helix chain '3D' and resid 165 through 169 Processing helix chain '3D' and resid 171 through 190 removed outlier: 3.565A pdb=" N PHE3D 175 " --> pdb=" O THR3D 171 " (cutoff:3.500A) Processing helix chain '3D' and resid 212 through 221 Processing helix chain '3D' and resid 224 through 229 Processing helix chain '3D' and resid 247 through 251 removed outlier: 3.762A pdb=" N ILE3D 251 " --> pdb=" O ALA3D 248 " (cutoff:3.500A) Processing helix chain '3D' and resid 261 through 274 removed outlier: 3.501A pdb=" N ASN3D 269 " --> pdb=" O THR3D 265 " (cutoff:3.500A) Processing helix chain '3D' and resid 279 through 287 removed outlier: 3.738A pdb=" N LEU3D 283 " --> pdb=" O ILE3D 279 " (cutoff:3.500A) removed outlier: 4.058A pdb=" N ASP3D 285 " --> pdb=" O ALA3D 281 " (cutoff:3.500A) removed outlier: 3.700A pdb=" N LEU3D 286 " --> pdb=" O ILE3D 282 " (cutoff:3.500A) Processing helix chain '3D' and resid 322 through 358 removed outlier: 3.696A pdb=" N SER3D 330 " --> pdb=" O ALA3D 326 " (cutoff:3.500A) removed outlier: 3.568A pdb=" N LEU3D 331 " --> pdb=" O ASN3D 327 " (cutoff:3.500A) removed outlier: 3.737A pdb=" N GLU3D 341 " --> pdb=" O SER3D 337 " (cutoff:3.500A) removed outlier: 3.520A pdb=" N GLU3D 348 " --> pdb=" O ASP3D 344 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N ASN3D 350 " --> pdb=" O LYS3D 346 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N LYS3D 351 " --> pdb=" O GLU3D 347 " (cutoff:3.500A) removed outlier: 3.616A pdb=" N ASP3D 352 " --> pdb=" O GLU3D 348 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N SER3D 355 " --> pdb=" O LYS3D 351 " (cutoff:3.500A) Processing helix chain '3D' and resid 363 through 378 removed outlier: 3.570A pdb=" N LYS3D 367 " --> pdb=" O ASP3D 363 " (cutoff:3.500A) removed outlier: 3.543A pdb=" N VAL3D 376 " --> pdb=" O ASP3D 372 " (cutoff:3.500A) removed outlier: 3.514A pdb=" N PHE3D 377 " --> pdb=" O ALA3D 373 " (cutoff:3.500A) Processing helix chain '3D' and resid 386 through 404 removed outlier: 3.678A pdb=" N ALA3D 391 " --> pdb=" O ILE3D 387 " (cutoff:3.500A) removed outlier: 4.234A pdb=" N LYS3D 392 " --> pdb=" O GLU3D 388 " (cutoff:3.500A) removed outlier: 3.949A pdb=" N SER3D 395 " --> pdb=" O ALA3D 391 " (cutoff:3.500A) removed outlier: 3.721A pdb=" N LYS3D 402 " --> pdb=" O LEU3D 398 " (cutoff:3.500A) Processing helix chain '3D' and resid 405 through 407 No H-bonds generated for 'chain '3D' and resid 405 through 407' Processing helix chain '3D' and resid 410 through 415 removed outlier: 3.572A pdb=" N SER3D 415 " --> pdb=" O GLU3D 411 " (cutoff:3.500A) Processing helix chain '3D' and resid 419 through 425 removed outlier: 4.181A pdb=" N ALA3D 423 " --> pdb=" O LEU3D 419 " (cutoff:3.500A) removed outlier: 3.979A pdb=" N PHE3D 425 " --> pdb=" O PHE3D 421 " (cutoff:3.500A) Processing helix chain '3D' and resid 426 through 428 No H-bonds generated for 'chain '3D' and resid 426 through 428' Processing helix chain '3D' and resid 431 through 435 removed outlier: 3.751A pdb=" N ASN3D 434 " --> pdb=" O TYR3D 431 " (cutoff:3.500A) removed outlier: 3.997A pdb=" N THR3D 435 " --> pdb=" O ASP3D 432 " (cutoff:3.500A) No H-bonds generated for 'chain '3D' and resid 431 through 435' Processing helix chain '3D' and resid 448 through 460 removed outlier: 3.714A pdb=" N ASP3D 455 " --> pdb=" O THR3D 451 " (cutoff:3.500A) removed outlier: 3.562A pdb=" N ILE3D 456 " --> pdb=" O ARG3D 452 " (cutoff:3.500A) Processing helix chain '3D' and resid 478 through 482 removed outlier: 3.744A pdb=" N GLU3D 482 " --> pdb=" O SER3D 479 " (cutoff:3.500A) Processing helix chain '3D' and resid 485 through 497 removed outlier: 3.517A pdb=" N LEU3D 494 " --> pdb=" O ASN3D 490 " (cutoff:3.500A) Processing helix chain '3D' and resid 505 through 520 Processing helix chain '3D' and resid 546 through 551 Processing helix chain '3D' and resid 586 through 605 removed outlier: 3.627A pdb=" N GLU3D 598 " --> pdb=" O ASN3D 594 " (cutoff:3.500A) removed outlier: 3.790A pdb=" N GLU3D 605 " --> pdb=" O LYS3D 601 " (cutoff:3.500A) Processing helix chain '3D' and resid 606 through 608 No H-bonds generated for 'chain '3D' and resid 606 through 608' Processing helix chain '3D' and resid 613 through 634 removed outlier: 3.735A pdb=" N ARG3D 619 " --> pdb=" O ASN3D 615 " (cutoff:3.500A) removed outlier: 3.686A pdb=" N LEU3D 630 " --> pdb=" O ASN3D 626 " (cutoff:3.500A) removed outlier: 3.509A pdb=" N GLN3D 631 " --> pdb=" O PHE3D 627 " (cutoff:3.500A) Processing helix chain '3D' and resid 641 through 645 removed outlier: 3.765A pdb=" N ALA3D 645 " --> pdb=" O LYS3D 641 " (cutoff:3.500A) No H-bonds generated for 'chain '3D' and resid 641 through 645' Processing helix chain '3D' and resid 657 through 664 Processing helix chain '3E' and resid 58 through 66 removed outlier: 3.632A pdb=" N TYR3E 65 " --> pdb=" O ASP3E 61 " (cutoff:3.500A) Processing helix chain '3E' and resid 104 through 115 Processing helix chain '3E' and resid 141 through 153 removed outlier: 3.832A pdb=" N LEU3E 145 " --> pdb=" O ASN3E 141 " (cutoff:3.500A) removed outlier: 3.759A pdb=" N VAL3E 151 " --> pdb=" O SER3E 147 " (cutoff:3.500A) removed outlier: 3.509A pdb=" N ILE3E 152 " --> pdb=" O GLY3E 148 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N ARG3E 153 " --> pdb=" O LEU3E 149 " (cutoff:3.500A) Processing helix chain '3E' and resid 165 through 169 Processing helix chain '3E' and resid 171 through 190 removed outlier: 3.565A pdb=" N PHE3E 175 " --> pdb=" O THR3E 171 " (cutoff:3.500A) Processing helix chain '3E' and resid 212 through 221 Processing helix chain '3E' and resid 224 through 229 Processing helix chain '3E' and resid 247 through 251 removed outlier: 3.761A pdb=" N ILE3E 251 " --> pdb=" O ALA3E 248 " (cutoff:3.500A) Processing helix chain '3E' and resid 261 through 274 removed outlier: 3.501A pdb=" N ASN3E 269 " --> pdb=" O THR3E 265 " (cutoff:3.500A) Processing helix chain '3E' and resid 279 through 287 removed outlier: 3.739A pdb=" N LEU3E 283 " --> pdb=" O ILE3E 279 " (cutoff:3.500A) removed outlier: 4.059A pdb=" N ASP3E 285 " --> pdb=" O ALA3E 281 " (cutoff:3.500A) removed outlier: 3.700A pdb=" N LEU3E 286 " --> pdb=" O ILE3E 282 " (cutoff:3.500A) Processing helix chain '3E' and resid 322 through 358 removed outlier: 3.695A pdb=" N SER3E 330 " --> pdb=" O ALA3E 326 " (cutoff:3.500A) removed outlier: 3.568A pdb=" N LEU3E 331 " --> pdb=" O ASN3E 327 " (cutoff:3.500A) removed outlier: 3.738A pdb=" N GLU3E 341 " --> pdb=" O SER3E 337 " (cutoff:3.500A) removed outlier: 3.520A pdb=" N GLU3E 348 " --> pdb=" O ASP3E 344 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N ASN3E 350 " --> pdb=" O LYS3E 346 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N LYS3E 351 " --> pdb=" O GLU3E 347 " (cutoff:3.500A) removed outlier: 3.616A pdb=" N ASP3E 352 " --> pdb=" O GLU3E 348 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N SER3E 355 " --> pdb=" O LYS3E 351 " (cutoff:3.500A) Processing helix chain '3E' and resid 363 through 378 removed outlier: 3.571A pdb=" N LYS3E 367 " --> pdb=" O ASP3E 363 " (cutoff:3.500A) removed outlier: 3.543A pdb=" N VAL3E 376 " --> pdb=" O ASP3E 372 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N PHE3E 377 " --> pdb=" O ALA3E 373 " (cutoff:3.500A) Processing helix chain '3E' and resid 386 through 404 removed outlier: 3.678A pdb=" N ALA3E 391 " --> pdb=" O ILE3E 387 " (cutoff:3.500A) removed outlier: 4.236A pdb=" N LYS3E 392 " --> pdb=" O GLU3E 388 " (cutoff:3.500A) removed outlier: 3.948A pdb=" N SER3E 395 " --> pdb=" O ALA3E 391 " (cutoff:3.500A) removed outlier: 3.722A pdb=" N LYS3E 402 " --> pdb=" O LEU3E 398 " (cutoff:3.500A) Processing helix chain '3E' and resid 405 through 407 No H-bonds generated for 'chain '3E' and resid 405 through 407' Processing helix chain '3E' and resid 410 through 415 removed outlier: 3.573A pdb=" N SER3E 415 " --> pdb=" O GLU3E 411 " (cutoff:3.500A) Processing helix chain '3E' and resid 419 through 425 removed outlier: 4.182A pdb=" N ALA3E 423 " --> pdb=" O LEU3E 419 " (cutoff:3.500A) removed outlier: 3.979A pdb=" N PHE3E 425 " --> pdb=" O PHE3E 421 " (cutoff:3.500A) Processing helix chain '3E' and resid 426 through 428 No H-bonds generated for 'chain '3E' and resid 426 through 428' Processing helix chain '3E' and resid 431 through 435 removed outlier: 3.751A pdb=" N ASN3E 434 " --> pdb=" O TYR3E 431 " (cutoff:3.500A) removed outlier: 3.996A pdb=" N THR3E 435 " --> pdb=" O ASP3E 432 " (cutoff:3.500A) No H-bonds generated for 'chain '3E' and resid 431 through 435' Processing helix chain '3E' and resid 448 through 460 removed outlier: 3.713A pdb=" N ASP3E 455 " --> pdb=" O THR3E 451 " (cutoff:3.500A) removed outlier: 3.562A pdb=" N ILE3E 456 " --> pdb=" O ARG3E 452 " (cutoff:3.500A) Processing helix chain '3E' and resid 478 through 482 removed outlier: 3.744A pdb=" N GLU3E 482 " --> pdb=" O SER3E 479 " (cutoff:3.500A) Processing helix chain '3E' and resid 485 through 497 removed outlier: 3.517A pdb=" N LEU3E 494 " --> pdb=" O ASN3E 490 " (cutoff:3.500A) Processing helix chain '3E' and resid 505 through 520 Processing helix chain '3E' and resid 546 through 551 Processing helix chain '3E' and resid 586 through 605 removed outlier: 3.626A pdb=" N GLU3E 598 " --> pdb=" O ASN3E 594 " (cutoff:3.500A) removed outlier: 3.790A pdb=" N GLU3E 605 " --> pdb=" O LYS3E 601 " (cutoff:3.500A) Processing helix chain '3E' and resid 606 through 608 No H-bonds generated for 'chain '3E' and resid 606 through 608' Processing helix chain '3E' and resid 613 through 634 removed outlier: 3.735A pdb=" N ARG3E 619 " --> pdb=" O ASN3E 615 " (cutoff:3.500A) removed outlier: 3.686A pdb=" N LEU3E 630 " --> pdb=" O ASN3E 626 " (cutoff:3.500A) removed outlier: 3.508A pdb=" N GLN3E 631 " --> pdb=" O PHE3E 627 " (cutoff:3.500A) Processing helix chain '3E' and resid 641 through 645 removed outlier: 3.765A pdb=" N ALA3E 645 " --> pdb=" O LYS3E 641 " (cutoff:3.500A) No H-bonds generated for 'chain '3E' and resid 641 through 645' Processing helix chain '3E' and resid 657 through 664 Processing helix chain '3F' and resid 58 through 66 removed outlier: 3.632A pdb=" N TYR3F 65 " --> pdb=" O ASP3F 61 " (cutoff:3.500A) Processing helix chain '3F' and resid 104 through 115 Processing helix chain '3F' and resid 141 through 153 removed outlier: 3.831A pdb=" N LEU3F 145 " --> pdb=" O ASN3F 141 " (cutoff:3.500A) removed outlier: 3.759A pdb=" N VAL3F 151 " --> pdb=" O SER3F 147 " (cutoff:3.500A) removed outlier: 3.509A pdb=" N ILE3F 152 " --> pdb=" O GLY3F 148 " (cutoff:3.500A) removed outlier: 3.596A pdb=" N ARG3F 153 " --> pdb=" O LEU3F 149 " (cutoff:3.500A) Processing helix chain '3F' and resid 165 through 169 Processing helix chain '3F' and resid 171 through 190 removed outlier: 3.565A pdb=" N PHE3F 175 " --> pdb=" O THR3F 171 " (cutoff:3.500A) Processing helix chain '3F' and resid 212 through 221 Processing helix chain '3F' and resid 224 through 229 Processing helix chain '3F' and resid 247 through 251 removed outlier: 3.762A pdb=" N ILE3F 251 " --> pdb=" O ALA3F 248 " (cutoff:3.500A) Processing helix chain '3F' and resid 261 through 274 removed outlier: 3.502A pdb=" N ASN3F 269 " --> pdb=" O THR3F 265 " (cutoff:3.500A) Processing helix chain '3F' and resid 279 through 287 removed outlier: 3.738A pdb=" N LEU3F 283 " --> pdb=" O ILE3F 279 " (cutoff:3.500A) removed outlier: 4.058A pdb=" N ASP3F 285 " --> pdb=" O ALA3F 281 " (cutoff:3.500A) removed outlier: 3.700A pdb=" N LEU3F 286 " --> pdb=" O ILE3F 282 " (cutoff:3.500A) Processing helix chain '3F' and resid 322 through 358 removed outlier: 3.696A pdb=" N SER3F 330 " --> pdb=" O ALA3F 326 " (cutoff:3.500A) removed outlier: 3.568A pdb=" N LEU3F 331 " --> pdb=" O ASN3F 327 " (cutoff:3.500A) removed outlier: 3.737A pdb=" N GLU3F 341 " --> pdb=" O SER3F 337 " (cutoff:3.500A) removed outlier: 3.521A pdb=" N GLU3F 348 " --> pdb=" O ASP3F 344 " (cutoff:3.500A) removed outlier: 3.548A pdb=" N ASN3F 350 " --> pdb=" O LYS3F 346 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N LYS3F 351 " --> pdb=" O GLU3F 347 " (cutoff:3.500A) removed outlier: 3.617A pdb=" N ASP3F 352 " --> pdb=" O GLU3F 348 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N SER3F 355 " --> pdb=" O LYS3F 351 " (cutoff:3.500A) Processing helix chain '3F' and resid 363 through 378 removed outlier: 3.570A pdb=" N LYS3F 367 " --> pdb=" O ASP3F 363 " (cutoff:3.500A) removed outlier: 3.541A pdb=" N VAL3F 376 " --> pdb=" O ASP3F 372 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N PHE3F 377 " --> pdb=" O ALA3F 373 " (cutoff:3.500A) Processing helix chain '3F' and resid 386 through 404 removed outlier: 3.679A pdb=" N ALA3F 391 " --> pdb=" O ILE3F 387 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYS3F 392 " --> pdb=" O GLU3F 388 " (cutoff:3.500A) removed outlier: 3.948A pdb=" N SER3F 395 " --> pdb=" O ALA3F 391 " (cutoff:3.500A) removed outlier: 3.722A pdb=" N LYS3F 402 " --> pdb=" O LEU3F 398 " (cutoff:3.500A) Processing helix chain '3F' and resid 405 through 407 No H-bonds generated for 'chain '3F' and resid 405 through 407' Processing helix chain '3F' and resid 410 through 415 removed outlier: 3.573A pdb=" N SER3F 415 " --> pdb=" O GLU3F 411 " (cutoff:3.500A) Processing helix chain '3F' and resid 419 through 425 removed outlier: 4.181A pdb=" N ALA3F 423 " --> pdb=" O LEU3F 419 " (cutoff:3.500A) removed outlier: 3.980A pdb=" N PHE3F 425 " --> pdb=" O PHE3F 421 " (cutoff:3.500A) Processing helix chain '3F' and resid 426 through 428 No H-bonds generated for 'chain '3F' and resid 426 through 428' Processing helix chain '3F' and resid 431 through 435 removed outlier: 3.751A pdb=" N ASN3F 434 " --> pdb=" O TYR3F 431 " (cutoff:3.500A) removed outlier: 3.997A pdb=" N THR3F 435 " --> pdb=" O ASP3F 432 " (cutoff:3.500A) No H-bonds generated for 'chain '3F' and resid 431 through 435' Processing helix chain '3F' and resid 448 through 460 removed outlier: 3.714A pdb=" N ASP3F 455 " --> pdb=" O THR3F 451 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N ILE3F 456 " --> pdb=" O ARG3F 452 " (cutoff:3.500A) Processing helix chain '3F' and resid 478 through 482 removed outlier: 3.745A pdb=" N GLU3F 482 " --> pdb=" O SER3F 479 " (cutoff:3.500A) Processing helix chain '3F' and resid 485 through 497 removed outlier: 3.517A pdb=" N LEU3F 494 " --> pdb=" O ASN3F 490 " (cutoff:3.500A) Processing helix chain '3F' and resid 505 through 520 Processing helix chain '3F' and resid 546 through 551 Processing helix chain '3F' and resid 586 through 605 removed outlier: 3.625A pdb=" N GLU3F 598 " --> pdb=" O ASN3F 594 " (cutoff:3.500A) removed outlier: 3.790A pdb=" N GLU3F 605 " --> pdb=" O LYS3F 601 " (cutoff:3.500A) Processing helix chain '3F' and resid 606 through 608 No H-bonds generated for 'chain '3F' and resid 606 through 608' Processing helix chain '3F' and resid 613 through 634 removed outlier: 3.736A pdb=" N ARG3F 619 " --> pdb=" O ASN3F 615 " (cutoff:3.500A) removed outlier: 3.686A pdb=" N LEU3F 630 " --> pdb=" O ASN3F 626 " (cutoff:3.500A) removed outlier: 3.508A pdb=" N GLN3F 631 " --> pdb=" O PHE3F 627 " (cutoff:3.500A) Processing helix chain '3F' and resid 641 through 645 removed outlier: 3.765A pdb=" N ALA3F 645 " --> pdb=" O LYS3F 641 " (cutoff:3.500A) No H-bonds generated for 'chain '3F' and resid 641 through 645' Processing helix chain '3F' and resid 657 through 664 Processing helix chain '4A' and resid 58 through 66 removed outlier: 3.632A pdb=" N TYR4A 65 " --> pdb=" O ASP4A 61 " (cutoff:3.500A) Processing helix chain '4A' and resid 104 through 115 Processing helix chain '4A' and resid 141 through 153 removed outlier: 3.832A pdb=" N LEU4A 145 " --> pdb=" O ASN4A 141 " (cutoff:3.500A) removed outlier: 3.759A pdb=" N VAL4A 151 " --> pdb=" O SER4A 147 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N ILE4A 152 " --> pdb=" O GLY4A 148 " (cutoff:3.500A) removed outlier: 3.597A pdb=" N ARG4A 153 " --> pdb=" O LEU4A 149 " (cutoff:3.500A) Processing helix chain '4A' and resid 165 through 169 Processing helix chain '4A' and resid 171 through 190 removed outlier: 3.565A pdb=" N PHE4A 175 " --> pdb=" O THR4A 171 " (cutoff:3.500A) Processing helix chain '4A' and resid 212 through 221 Processing helix chain '4A' and resid 224 through 229 Processing helix chain '4A' and resid 247 through 251 removed outlier: 3.762A pdb=" N ILE4A 251 " --> pdb=" O ALA4A 248 " (cutoff:3.500A) Processing helix chain '4A' and resid 261 through 274 removed outlier: 3.501A pdb=" N ASN4A 269 " --> pdb=" O THR4A 265 " (cutoff:3.500A) Processing helix chain '4A' and resid 279 through 287 removed outlier: 3.738A pdb=" N LEU4A 283 " --> pdb=" O ILE4A 279 " (cutoff:3.500A) removed outlier: 4.059A pdb=" N ASP4A 285 " --> pdb=" O ALA4A 281 " (cutoff:3.500A) removed outlier: 3.700A pdb=" N LEU4A 286 " --> pdb=" O ILE4A 282 " (cutoff:3.500A) Processing helix chain '4A' and resid 322 through 358 removed outlier: 3.696A pdb=" N SER4A 330 " --> pdb=" O ALA4A 326 " (cutoff:3.500A) removed outlier: 3.568A pdb=" N LEU4A 331 " --> pdb=" O ASN4A 327 " (cutoff:3.500A) removed outlier: 3.737A pdb=" N GLU4A 341 " --> pdb=" O SER4A 337 " (cutoff:3.500A) removed outlier: 3.521A pdb=" N GLU4A 348 " --> pdb=" O ASP4A 344 " (cutoff:3.500A) removed outlier: 3.548A pdb=" N ASN4A 350 " --> pdb=" O LYS4A 346 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N LYS4A 351 " --> pdb=" O GLU4A 347 " (cutoff:3.500A) removed outlier: 3.616A pdb=" N ASP4A 352 " --> pdb=" O GLU4A 348 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N SER4A 355 " --> pdb=" O LYS4A 351 " (cutoff:3.500A) Processing helix chain '4A' and resid 363 through 378 removed outlier: 3.571A pdb=" N LYS4A 367 " --> pdb=" O ASP4A 363 " (cutoff:3.500A) removed outlier: 3.542A pdb=" N VAL4A 376 " --> pdb=" O ASP4A 372 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N PHE4A 377 " --> pdb=" O ALA4A 373 " (cutoff:3.500A) Processing helix chain '4A' and resid 386 through 404 removed outlier: 3.678A pdb=" N ALA4A 391 " --> pdb=" O ILE4A 387 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYS4A 392 " --> pdb=" O GLU4A 388 " (cutoff:3.500A) removed outlier: 3.947A pdb=" N SER4A 395 " --> pdb=" O ALA4A 391 " (cutoff:3.500A) removed outlier: 3.722A pdb=" N LYS4A 402 " --> pdb=" O LEU4A 398 " (cutoff:3.500A) Processing helix chain '4A' and resid 405 through 407 No H-bonds generated for 'chain '4A' and resid 405 through 407' Processing helix chain '4A' and resid 410 through 415 removed outlier: 3.573A pdb=" N SER4A 415 " --> pdb=" O GLU4A 411 " (cutoff:3.500A) Processing helix chain '4A' and resid 419 through 425 removed outlier: 4.181A pdb=" N ALA4A 423 " --> pdb=" O LEU4A 419 " (cutoff:3.500A) removed outlier: 3.980A pdb=" N PHE4A 425 " --> pdb=" O PHE4A 421 " (cutoff:3.500A) Processing helix chain '4A' and resid 426 through 428 No H-bonds generated for 'chain '4A' and resid 426 through 428' Processing helix chain '4A' and resid 431 through 435 removed outlier: 3.751A pdb=" N ASN4A 434 " --> pdb=" O TYR4A 431 " (cutoff:3.500A) removed outlier: 3.997A pdb=" N THR4A 435 " --> pdb=" O ASP4A 432 " (cutoff:3.500A) No H-bonds generated for 'chain '4A' and resid 431 through 435' Processing helix chain '4A' and resid 448 through 460 removed outlier: 3.713A pdb=" N ASP4A 455 " --> pdb=" O THR4A 451 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N ILE4A 456 " --> pdb=" O ARG4A 452 " (cutoff:3.500A) Processing helix chain '4A' and resid 478 through 482 removed outlier: 3.744A pdb=" N GLU4A 482 " --> pdb=" O SER4A 479 " (cutoff:3.500A) Processing helix chain '4A' and resid 485 through 497 removed outlier: 3.518A pdb=" N LEU4A 494 " --> pdb=" O ASN4A 490 " (cutoff:3.500A) Processing helix chain '4A' and resid 505 through 520 Processing helix chain '4A' and resid 546 through 551 Processing helix chain '4A' and resid 586 through 605 removed outlier: 3.625A pdb=" N GLU4A 598 " --> pdb=" O ASN4A 594 " (cutoff:3.500A) removed outlier: 3.790A pdb=" N GLU4A 605 " --> pdb=" O LYS4A 601 " (cutoff:3.500A) Processing helix chain '4A' and resid 606 through 608 No H-bonds generated for 'chain '4A' and resid 606 through 608' Processing helix chain '4A' and resid 613 through 634 removed outlier: 3.735A pdb=" N ARG4A 619 " --> pdb=" O ASN4A 615 " (cutoff:3.500A) removed outlier: 3.686A pdb=" N LEU4A 630 " --> pdb=" O ASN4A 626 " (cutoff:3.500A) removed outlier: 3.509A pdb=" N GLN4A 631 " --> pdb=" O PHE4A 627 " (cutoff:3.500A) Processing helix chain '4A' and resid 641 through 645 removed outlier: 3.765A pdb=" N ALA4A 645 " --> pdb=" O LYS4A 641 " (cutoff:3.500A) No H-bonds generated for 'chain '4A' and resid 641 through 645' Processing helix chain '4A' and resid 657 through 664 Processing helix chain '4B' and resid 58 through 66 removed outlier: 3.631A pdb=" N TYR4B 65 " --> pdb=" O ASP4B 61 " (cutoff:3.500A) Processing helix chain '4B' and resid 104 through 115 Processing helix chain '4B' and resid 141 through 153 removed outlier: 3.831A pdb=" N LEU4B 145 " --> pdb=" O ASN4B 141 " (cutoff:3.500A) removed outlier: 3.759A pdb=" N VAL4B 151 " --> pdb=" O SER4B 147 " (cutoff:3.500A) removed outlier: 3.508A pdb=" N ILE4B 152 " --> pdb=" O GLY4B 148 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N ARG4B 153 " --> pdb=" O LEU4B 149 " (cutoff:3.500A) Processing helix chain '4B' and resid 165 through 169 Processing helix chain '4B' and resid 171 through 190 removed outlier: 3.566A pdb=" N PHE4B 175 " --> pdb=" O THR4B 171 " (cutoff:3.500A) Processing helix chain '4B' and resid 212 through 221 Processing helix chain '4B' and resid 224 through 229 Processing helix chain '4B' and resid 247 through 251 removed outlier: 3.762A pdb=" N ILE4B 251 " --> pdb=" O ALA4B 248 " (cutoff:3.500A) Processing helix chain '4B' and resid 261 through 274 removed outlier: 3.501A pdb=" N ASN4B 269 " --> pdb=" O THR4B 265 " (cutoff:3.500A) Processing helix chain '4B' and resid 279 through 287 removed outlier: 3.739A pdb=" N LEU4B 283 " --> pdb=" O ILE4B 279 " (cutoff:3.500A) removed outlier: 4.059A pdb=" N ASP4B 285 " --> pdb=" O ALA4B 281 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N LEU4B 286 " --> pdb=" O ILE4B 282 " (cutoff:3.500A) Processing helix chain '4B' and resid 322 through 358 removed outlier: 3.695A pdb=" N SER4B 330 " --> pdb=" O ALA4B 326 " (cutoff:3.500A) removed outlier: 3.567A pdb=" N LEU4B 331 " --> pdb=" O ASN4B 327 " (cutoff:3.500A) removed outlier: 3.738A pdb=" N GLU4B 341 " --> pdb=" O SER4B 337 " (cutoff:3.500A) removed outlier: 3.520A pdb=" N GLU4B 348 " --> pdb=" O ASP4B 344 " (cutoff:3.500A) removed outlier: 3.546A pdb=" N ASN4B 350 " --> pdb=" O LYS4B 346 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N LYS4B 351 " --> pdb=" O GLU4B 347 " (cutoff:3.500A) removed outlier: 3.616A pdb=" N ASP4B 352 " --> pdb=" O GLU4B 348 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N SER4B 355 " --> pdb=" O LYS4B 351 " (cutoff:3.500A) Processing helix chain '4B' and resid 363 through 378 removed outlier: 3.570A pdb=" N LYS4B 367 " --> pdb=" O ASP4B 363 " (cutoff:3.500A) removed outlier: 3.543A pdb=" N VAL4B 376 " --> pdb=" O ASP4B 372 " (cutoff:3.500A) removed outlier: 3.515A pdb=" N PHE4B 377 " --> pdb=" O ALA4B 373 " (cutoff:3.500A) Processing helix chain '4B' and resid 386 through 404 removed outlier: 3.679A pdb=" N ALA4B 391 " --> pdb=" O ILE4B 387 " (cutoff:3.500A) removed outlier: 4.234A pdb=" N LYS4B 392 " --> pdb=" O GLU4B 388 " (cutoff:3.500A) removed outlier: 3.948A pdb=" N SER4B 395 " --> pdb=" O ALA4B 391 " (cutoff:3.500A) removed outlier: 3.721A pdb=" N LYS4B 402 " --> pdb=" O LEU4B 398 " (cutoff:3.500A) Processing helix chain '4B' and resid 405 through 407 No H-bonds generated for 'chain '4B' and resid 405 through 407' Processing helix chain '4B' and resid 410 through 415 removed outlier: 3.573A pdb=" N SER4B 415 " --> pdb=" O GLU4B 411 " (cutoff:3.500A) Processing helix chain '4B' and resid 419 through 425 removed outlier: 4.180A pdb=" N ALA4B 423 " --> pdb=" O LEU4B 419 " (cutoff:3.500A) removed outlier: 3.979A pdb=" N PHE4B 425 " --> pdb=" O PHE4B 421 " (cutoff:3.500A) Processing helix chain '4B' and resid 426 through 428 No H-bonds generated for 'chain '4B' and resid 426 through 428' Processing helix chain '4B' and resid 431 through 435 removed outlier: 3.751A pdb=" N ASN4B 434 " --> pdb=" O TYR4B 431 " (cutoff:3.500A) removed outlier: 3.997A pdb=" N THR4B 435 " --> pdb=" O ASP4B 432 " (cutoff:3.500A) No H-bonds generated for 'chain '4B' and resid 431 through 435' Processing helix chain '4B' and resid 448 through 460 removed outlier: 3.712A pdb=" N ASP4B 455 " --> pdb=" O THR4B 451 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N ILE4B 456 " --> pdb=" O ARG4B 452 " (cutoff:3.500A) Processing helix chain '4B' and resid 478 through 482 removed outlier: 3.745A pdb=" N GLU4B 482 " --> pdb=" O SER4B 479 " (cutoff:3.500A) Processing helix chain '4B' and resid 485 through 497 removed outlier: 3.518A pdb=" N LEU4B 494 " --> pdb=" O ASN4B 490 " (cutoff:3.500A) Processing helix chain '4B' and resid 505 through 520 Processing helix chain '4B' and resid 546 through 551 Processing helix chain '4B' and resid 586 through 605 removed outlier: 3.626A pdb=" N GLU4B 598 " --> pdb=" O ASN4B 594 " (cutoff:3.500A) removed outlier: 3.789A pdb=" N GLU4B 605 " --> pdb=" O LYS4B 601 " (cutoff:3.500A) Processing helix chain '4B' and resid 606 through 608 No H-bonds generated for 'chain '4B' and resid 606 through 608' Processing helix chain '4B' and resid 613 through 634 removed outlier: 3.735A pdb=" N ARG4B 619 " --> pdb=" O ASN4B 615 " (cutoff:3.500A) removed outlier: 3.686A pdb=" N LEU4B 630 " --> pdb=" O ASN4B 626 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N GLN4B 631 " --> pdb=" O PHE4B 627 " (cutoff:3.500A) Processing helix chain '4B' and resid 641 through 645 removed outlier: 3.766A pdb=" N ALA4B 645 " --> pdb=" O LYS4B 641 " (cutoff:3.500A) No H-bonds generated for 'chain '4B' and resid 641 through 645' Processing helix chain '4B' and resid 657 through 664 Processing helix chain '4C' and resid 58 through 66 removed outlier: 3.633A pdb=" N TYR4C 65 " --> pdb=" O ASP4C 61 " (cutoff:3.500A) Processing helix chain '4C' and resid 104 through 115 Processing helix chain '4C' and resid 141 through 153 removed outlier: 3.832A pdb=" N LEU4C 145 " --> pdb=" O ASN4C 141 " (cutoff:3.500A) removed outlier: 3.760A pdb=" N VAL4C 151 " --> pdb=" O SER4C 147 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N ILE4C 152 " --> pdb=" O GLY4C 148 " (cutoff:3.500A) removed outlier: 3.596A pdb=" N ARG4C 153 " --> pdb=" O LEU4C 149 " (cutoff:3.500A) Processing helix chain '4C' and resid 165 through 169 Processing helix chain '4C' and resid 171 through 190 removed outlier: 3.565A pdb=" N PHE4C 175 " --> pdb=" O THR4C 171 " (cutoff:3.500A) Processing helix chain '4C' and resid 212 through 221 Processing helix chain '4C' and resid 224 through 229 Processing helix chain '4C' and resid 247 through 251 removed outlier: 3.762A pdb=" N ILE4C 251 " --> pdb=" O ALA4C 248 " (cutoff:3.500A) Processing helix chain '4C' and resid 261 through 274 removed outlier: 3.502A pdb=" N ASN4C 269 " --> pdb=" O THR4C 265 " (cutoff:3.500A) Processing helix chain '4C' and resid 279 through 287 removed outlier: 3.738A pdb=" N LEU4C 283 " --> pdb=" O ILE4C 279 " (cutoff:3.500A) removed outlier: 4.057A pdb=" N ASP4C 285 " --> pdb=" O ALA4C 281 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N LEU4C 286 " --> pdb=" O ILE4C 282 " (cutoff:3.500A) Processing helix chain '4C' and resid 322 through 358 removed outlier: 3.696A pdb=" N SER4C 330 " --> pdb=" O ALA4C 326 " (cutoff:3.500A) removed outlier: 3.569A pdb=" N LEU4C 331 " --> pdb=" O ASN4C 327 " (cutoff:3.500A) removed outlier: 3.737A pdb=" N GLU4C 341 " --> pdb=" O SER4C 337 " (cutoff:3.500A) removed outlier: 3.520A pdb=" N GLU4C 348 " --> pdb=" O ASP4C 344 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N ASN4C 350 " --> pdb=" O LYS4C 346 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N LYS4C 351 " --> pdb=" O GLU4C 347 " (cutoff:3.500A) removed outlier: 3.617A pdb=" N ASP4C 352 " --> pdb=" O GLU4C 348 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N SER4C 355 " --> pdb=" O LYS4C 351 " (cutoff:3.500A) Processing helix chain '4C' and resid 363 through 378 removed outlier: 3.572A pdb=" N LYS4C 367 " --> pdb=" O ASP4C 363 " (cutoff:3.500A) removed outlier: 3.541A pdb=" N VAL4C 376 " --> pdb=" O ASP4C 372 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N PHE4C 377 " --> pdb=" O ALA4C 373 " (cutoff:3.500A) Processing helix chain '4C' and resid 386 through 404 removed outlier: 3.679A pdb=" N ALA4C 391 " --> pdb=" O ILE4C 387 " (cutoff:3.500A) removed outlier: 4.234A pdb=" N LYS4C 392 " --> pdb=" O GLU4C 388 " (cutoff:3.500A) removed outlier: 3.948A pdb=" N SER4C 395 " --> pdb=" O ALA4C 391 " (cutoff:3.500A) removed outlier: 3.722A pdb=" N LYS4C 402 " --> pdb=" O LEU4C 398 " (cutoff:3.500A) Processing helix chain '4C' and resid 405 through 407 No H-bonds generated for 'chain '4C' and resid 405 through 407' Processing helix chain '4C' and resid 410 through 415 removed outlier: 3.572A pdb=" N SER4C 415 " --> pdb=" O GLU4C 411 " (cutoff:3.500A) Processing helix chain '4C' and resid 419 through 425 removed outlier: 4.182A pdb=" N ALA4C 423 " --> pdb=" O LEU4C 419 " (cutoff:3.500A) removed outlier: 3.980A pdb=" N PHE4C 425 " --> pdb=" O PHE4C 421 " (cutoff:3.500A) Processing helix chain '4C' and resid 426 through 428 No H-bonds generated for 'chain '4C' and resid 426 through 428' Processing helix chain '4C' and resid 431 through 435 removed outlier: 3.751A pdb=" N ASN4C 434 " --> pdb=" O TYR4C 431 " (cutoff:3.500A) removed outlier: 3.997A pdb=" N THR4C 435 " --> pdb=" O ASP4C 432 " (cutoff:3.500A) No H-bonds generated for 'chain '4C' and resid 431 through 435' Processing helix chain '4C' and resid 448 through 460 removed outlier: 3.714A pdb=" N ASP4C 455 " --> pdb=" O THR4C 451 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N ILE4C 456 " --> pdb=" O ARG4C 452 " (cutoff:3.500A) Processing helix chain '4C' and resid 478 through 482 removed outlier: 3.745A pdb=" N GLU4C 482 " --> pdb=" O SER4C 479 " (cutoff:3.500A) Processing helix chain '4C' and resid 485 through 497 removed outlier: 3.517A pdb=" N LEU4C 494 " --> pdb=" O ASN4C 490 " (cutoff:3.500A) Processing helix chain '4C' and resid 505 through 520 Processing helix chain '4C' and resid 546 through 551 Processing helix chain '4C' and resid 586 through 605 removed outlier: 3.625A pdb=" N GLU4C 598 " --> pdb=" O ASN4C 594 " (cutoff:3.500A) removed outlier: 3.790A pdb=" N GLU4C 605 " --> pdb=" O LYS4C 601 " (cutoff:3.500A) Processing helix chain '4C' and resid 606 through 608 No H-bonds generated for 'chain '4C' and resid 606 through 608' Processing helix chain '4C' and resid 613 through 634 removed outlier: 3.734A pdb=" N ARG4C 619 " --> pdb=" O ASN4C 615 " (cutoff:3.500A) removed outlier: 3.687A pdb=" N LEU4C 630 " --> pdb=" O ASN4C 626 " (cutoff:3.500A) removed outlier: 3.508A pdb=" N GLN4C 631 " --> pdb=" O PHE4C 627 " (cutoff:3.500A) Processing helix chain '4C' and resid 641 through 645 removed outlier: 3.766A pdb=" N ALA4C 645 " --> pdb=" O LYS4C 641 " (cutoff:3.500A) No H-bonds generated for 'chain '4C' and resid 641 through 645' Processing helix chain '4C' and resid 657 through 664 Processing helix chain '4D' and resid 58 through 66 removed outlier: 3.632A pdb=" N TYR4D 65 " --> pdb=" O ASP4D 61 " (cutoff:3.500A) Processing helix chain '4D' and resid 104 through 115 Processing helix chain '4D' and resid 141 through 153 removed outlier: 3.830A pdb=" N LEU4D 145 " --> pdb=" O ASN4D 141 " (cutoff:3.500A) removed outlier: 3.760A pdb=" N VAL4D 151 " --> pdb=" O SER4D 147 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N ILE4D 152 " --> pdb=" O GLY4D 148 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N ARG4D 153 " --> pdb=" O LEU4D 149 " (cutoff:3.500A) Processing helix chain '4D' and resid 165 through 169 Processing helix chain '4D' and resid 171 through 190 removed outlier: 3.565A pdb=" N PHE4D 175 " --> pdb=" O THR4D 171 " (cutoff:3.500A) Processing helix chain '4D' and resid 212 through 221 Processing helix chain '4D' and resid 224 through 229 Processing helix chain '4D' and resid 247 through 251 removed outlier: 3.762A pdb=" N ILE4D 251 " --> pdb=" O ALA4D 248 " (cutoff:3.500A) Processing helix chain '4D' and resid 261 through 274 removed outlier: 3.501A pdb=" N ASN4D 269 " --> pdb=" O THR4D 265 " (cutoff:3.500A) Processing helix chain '4D' and resid 279 through 287 removed outlier: 3.739A pdb=" N LEU4D 283 " --> pdb=" O ILE4D 279 " (cutoff:3.500A) removed outlier: 4.058A pdb=" N ASP4D 285 " --> pdb=" O ALA4D 281 " (cutoff:3.500A) removed outlier: 3.700A pdb=" N LEU4D 286 " --> pdb=" O ILE4D 282 " (cutoff:3.500A) Processing helix chain '4D' and resid 322 through 358 removed outlier: 3.696A pdb=" N SER4D 330 " --> pdb=" O ALA4D 326 " (cutoff:3.500A) removed outlier: 3.568A pdb=" N LEU4D 331 " --> pdb=" O ASN4D 327 " (cutoff:3.500A) removed outlier: 3.737A pdb=" N GLU4D 341 " --> pdb=" O SER4D 337 " (cutoff:3.500A) removed outlier: 3.521A pdb=" N GLU4D 348 " --> pdb=" O ASP4D 344 " (cutoff:3.500A) removed outlier: 3.548A pdb=" N ASN4D 350 " --> pdb=" O LYS4D 346 " (cutoff:3.500A) removed outlier: 3.555A pdb=" N LYS4D 351 " --> pdb=" O GLU4D 347 " (cutoff:3.500A) removed outlier: 3.616A pdb=" N ASP4D 352 " --> pdb=" O GLU4D 348 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N SER4D 355 " --> pdb=" O LYS4D 351 " (cutoff:3.500A) Processing helix chain '4D' and resid 363 through 378 removed outlier: 3.571A pdb=" N LYS4D 367 " --> pdb=" O ASP4D 363 " (cutoff:3.500A) removed outlier: 3.543A pdb=" N VAL4D 376 " --> pdb=" O ASP4D 372 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N PHE4D 377 " --> pdb=" O ALA4D 373 " (cutoff:3.500A) Processing helix chain '4D' and resid 386 through 404 removed outlier: 3.678A pdb=" N ALA4D 391 " --> pdb=" O ILE4D 387 " (cutoff:3.500A) removed outlier: 4.235A pdb=" N LYS4D 392 " --> pdb=" O GLU4D 388 " (cutoff:3.500A) removed outlier: 3.947A pdb=" N SER4D 395 " --> pdb=" O ALA4D 391 " (cutoff:3.500A) removed outlier: 3.723A pdb=" N LYS4D 402 " --> pdb=" O LEU4D 398 " (cutoff:3.500A) Processing helix chain '4D' and resid 405 through 407 No H-bonds generated for 'chain '4D' and resid 405 through 407' Processing helix chain '4D' and resid 410 through 415 removed outlier: 3.573A pdb=" N SER4D 415 " --> pdb=" O GLU4D 411 " (cutoff:3.500A) Processing helix chain '4D' and resid 419 through 425 removed outlier: 4.181A pdb=" N ALA4D 423 " --> pdb=" O LEU4D 419 " (cutoff:3.500A) removed outlier: 3.979A pdb=" N PHE4D 425 " --> pdb=" O PHE4D 421 " (cutoff:3.500A) Processing helix chain '4D' and resid 426 through 428 No H-bonds generated for 'chain '4D' and resid 426 through 428' Processing helix chain '4D' and resid 431 through 435 removed outlier: 3.751A pdb=" N ASN4D 434 " --> pdb=" O TYR4D 431 " (cutoff:3.500A) removed outlier: 3.997A pdb=" N THR4D 435 " --> pdb=" O ASP4D 432 " (cutoff:3.500A) No H-bonds generated for 'chain '4D' and resid 431 through 435' Processing helix chain '4D' and resid 448 through 460 removed outlier: 3.713A pdb=" N ASP4D 455 " --> pdb=" O THR4D 451 " (cutoff:3.500A) removed outlier: 3.562A pdb=" N ILE4D 456 " --> pdb=" O ARG4D 452 " (cutoff:3.500A) Processing helix chain '4D' and resid 478 through 482 removed outlier: 3.744A pdb=" N GLU4D 482 " --> pdb=" O SER4D 479 " (cutoff:3.500A) Processing helix chain '4D' and resid 485 through 497 removed outlier: 3.518A pdb=" N LEU4D 494 " --> pdb=" O ASN4D 490 " (cutoff:3.500A) Processing helix chain '4D' and resid 505 through 520 Processing helix chain '4D' and resid 546 through 551 Processing helix chain '4D' and resid 586 through 605 removed outlier: 3.625A pdb=" N GLU4D 598 " --> pdb=" O ASN4D 594 " (cutoff:3.500A) removed outlier: 3.789A pdb=" N GLU4D 605 " --> pdb=" O LYS4D 601 " (cutoff:3.500A) Processing helix chain '4D' and resid 606 through 608 No H-bonds generated for 'chain '4D' and resid 606 through 608' Processing helix chain '4D' and resid 613 through 634 removed outlier: 3.736A pdb=" N ARG4D 619 " --> pdb=" O ASN4D 615 " (cutoff:3.500A) removed outlier: 3.686A pdb=" N LEU4D 630 " --> pdb=" O ASN4D 626 " (cutoff:3.500A) removed outlier: 3.509A pdb=" N GLN4D 631 " --> pdb=" O PHE4D 627 " (cutoff:3.500A) Processing helix chain '4D' and resid 641 through 645 removed outlier: 3.766A pdb=" N ALA4D 645 " --> pdb=" O LYS4D 641 " (cutoff:3.500A) No H-bonds generated for 'chain '4D' and resid 641 through 645' Processing helix chain '4D' and resid 657 through 664 Processing helix chain '4E' and resid 58 through 66 removed outlier: 3.632A pdb=" N TYR4E 65 " --> pdb=" O ASP4E 61 " (cutoff:3.500A) Processing helix chain '4E' and resid 104 through 115 Processing helix chain '4E' and resid 141 through 153 removed outlier: 3.832A pdb=" N LEU4E 145 " --> pdb=" O ASN4E 141 " (cutoff:3.500A) removed outlier: 3.758A pdb=" N VAL4E 151 " --> pdb=" O SER4E 147 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N ILE4E 152 " --> pdb=" O GLY4E 148 " (cutoff:3.500A) removed outlier: 3.594A pdb=" N ARG4E 153 " --> pdb=" O LEU4E 149 " (cutoff:3.500A) Processing helix chain '4E' and resid 165 through 169 Processing helix chain '4E' and resid 171 through 190 removed outlier: 3.565A pdb=" N PHE4E 175 " --> pdb=" O THR4E 171 " (cutoff:3.500A) Processing helix chain '4E' and resid 212 through 221 Processing helix chain '4E' and resid 224 through 229 Processing helix chain '4E' and resid 247 through 251 removed outlier: 3.761A pdb=" N ILE4E 251 " --> pdb=" O ALA4E 248 " (cutoff:3.500A) Processing helix chain '4E' and resid 261 through 274 removed outlier: 3.501A pdb=" N ASN4E 269 " --> pdb=" O THR4E 265 " (cutoff:3.500A) Processing helix chain '4E' and resid 279 through 287 removed outlier: 3.737A pdb=" N LEU4E 283 " --> pdb=" O ILE4E 279 " (cutoff:3.500A) removed outlier: 4.058A pdb=" N ASP4E 285 " --> pdb=" O ALA4E 281 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N LEU4E 286 " --> pdb=" O ILE4E 282 " (cutoff:3.500A) Processing helix chain '4E' and resid 322 through 358 removed outlier: 3.696A pdb=" N SER4E 330 " --> pdb=" O ALA4E 326 " (cutoff:3.500A) removed outlier: 3.568A pdb=" N LEU4E 331 " --> pdb=" O ASN4E 327 " (cutoff:3.500A) removed outlier: 3.737A pdb=" N GLU4E 341 " --> pdb=" O SER4E 337 " (cutoff:3.500A) removed outlier: 3.521A pdb=" N GLU4E 348 " --> pdb=" O ASP4E 344 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N ASN4E 350 " --> pdb=" O LYS4E 346 " (cutoff:3.500A) removed outlier: 3.557A pdb=" N LYS4E 351 " --> pdb=" O GLU4E 347 " (cutoff:3.500A) removed outlier: 3.616A pdb=" N ASP4E 352 " --> pdb=" O GLU4E 348 " (cutoff:3.500A) removed outlier: 3.610A pdb=" N SER4E 355 " --> pdb=" O LYS4E 351 " (cutoff:3.500A) Processing helix chain '4E' and resid 363 through 378 removed outlier: 3.570A pdb=" N LYS4E 367 " --> pdb=" O ASP4E 363 " (cutoff:3.500A) removed outlier: 3.542A pdb=" N VAL4E 376 " --> pdb=" O ASP4E 372 " (cutoff:3.500A) removed outlier: 3.514A pdb=" N PHE4E 377 " --> pdb=" O ALA4E 373 " (cutoff:3.500A) Processing helix chain '4E' and resid 386 through 404 removed outlier: 3.678A pdb=" N ALA4E 391 " --> pdb=" O ILE4E 387 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYS4E 392 " --> pdb=" O GLU4E 388 " (cutoff:3.500A) removed outlier: 3.948A pdb=" N SER4E 395 " --> pdb=" O ALA4E 391 " (cutoff:3.500A) removed outlier: 3.722A pdb=" N LYS4E 402 " --> pdb=" O LEU4E 398 " (cutoff:3.500A) Processing helix chain '4E' and resid 405 through 407 No H-bonds generated for 'chain '4E' and resid 405 through 407' Processing helix chain '4E' and resid 410 through 415 removed outlier: 3.573A pdb=" N SER4E 415 " --> pdb=" O GLU4E 411 " (cutoff:3.500A) Processing helix chain '4E' and resid 419 through 425 removed outlier: 4.180A pdb=" N ALA4E 423 " --> pdb=" O LEU4E 419 " (cutoff:3.500A) removed outlier: 3.978A pdb=" N PHE4E 425 " --> pdb=" O PHE4E 421 " (cutoff:3.500A) Processing helix chain '4E' and resid 426 through 428 No H-bonds generated for 'chain '4E' and resid 426 through 428' Processing helix chain '4E' and resid 431 through 435 removed outlier: 3.751A pdb=" N ASN4E 434 " --> pdb=" O TYR4E 431 " (cutoff:3.500A) removed outlier: 3.997A pdb=" N THR4E 435 " --> pdb=" O ASP4E 432 " (cutoff:3.500A) No H-bonds generated for 'chain '4E' and resid 431 through 435' Processing helix chain '4E' and resid 448 through 460 removed outlier: 3.713A pdb=" N ASP4E 455 " --> pdb=" O THR4E 451 " (cutoff:3.500A) removed outlier: 3.562A pdb=" N ILE4E 456 " --> pdb=" O ARG4E 452 " (cutoff:3.500A) Processing helix chain '4E' and resid 478 through 482 removed outlier: 3.744A pdb=" N GLU4E 482 " --> pdb=" O SER4E 479 " (cutoff:3.500A) Processing helix chain '4E' and resid 485 through 497 removed outlier: 3.517A pdb=" N LEU4E 494 " --> pdb=" O ASN4E 490 " (cutoff:3.500A) Processing helix chain '4E' and resid 505 through 520 Processing helix chain '4E' and resid 546 through 551 Processing helix chain '4E' and resid 586 through 605 removed outlier: 3.625A pdb=" N GLU4E 598 " --> pdb=" O ASN4E 594 " (cutoff:3.500A) removed outlier: 3.790A pdb=" N GLU4E 605 " --> pdb=" O LYS4E 601 " (cutoff:3.500A) Processing helix chain '4E' and resid 606 through 608 No H-bonds generated for 'chain '4E' and resid 606 through 608' Processing helix chain '4E' and resid 613 through 634 removed outlier: 3.735A pdb=" N ARG4E 619 " --> pdb=" O ASN4E 615 " (cutoff:3.500A) removed outlier: 3.686A pdb=" N LEU4E 630 " --> pdb=" O ASN4E 626 " (cutoff:3.500A) removed outlier: 3.508A pdb=" N GLN4E 631 " --> pdb=" O PHE4E 627 " (cutoff:3.500A) Processing helix chain '4E' and resid 641 through 645 removed outlier: 3.766A pdb=" N ALA4E 645 " --> pdb=" O LYS4E 641 " (cutoff:3.500A) No H-bonds generated for 'chain '4E' and resid 641 through 645' Processing helix chain '4E' and resid 657 through 664 Processing helix chain '4F' and resid 58 through 66 removed outlier: 3.633A pdb=" N TYR4F 65 " --> pdb=" O ASP4F 61 " (cutoff:3.500A) Processing helix chain '4F' and resid 104 through 115 Processing helix chain '4F' and resid 141 through 153 removed outlier: 3.831A pdb=" N LEU4F 145 " --> pdb=" O ASN4F 141 " (cutoff:3.500A) removed outlier: 3.759A pdb=" N VAL4F 151 " --> pdb=" O SER4F 147 " (cutoff:3.500A) removed outlier: 3.508A pdb=" N ILE4F 152 " --> pdb=" O GLY4F 148 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N ARG4F 153 " --> pdb=" O LEU4F 149 " (cutoff:3.500A) Processing helix chain '4F' and resid 165 through 169 Processing helix chain '4F' and resid 171 through 190 removed outlier: 3.565A pdb=" N PHE4F 175 " --> pdb=" O THR4F 171 " (cutoff:3.500A) Processing helix chain '4F' and resid 212 through 221 Processing helix chain '4F' and resid 224 through 229 Processing helix chain '4F' and resid 247 through 251 removed outlier: 3.762A pdb=" N ILE4F 251 " --> pdb=" O ALA4F 248 " (cutoff:3.500A) Processing helix chain '4F' and resid 261 through 274 removed outlier: 3.502A pdb=" N ASN4F 269 " --> pdb=" O THR4F 265 " (cutoff:3.500A) Processing helix chain '4F' and resid 279 through 287 removed outlier: 3.737A pdb=" N LEU4F 283 " --> pdb=" O ILE4F 279 " (cutoff:3.500A) removed outlier: 4.057A pdb=" N ASP4F 285 " --> pdb=" O ALA4F 281 " (cutoff:3.500A) removed outlier: 3.700A pdb=" N LEU4F 286 " --> pdb=" O ILE4F 282 " (cutoff:3.500A) Processing helix chain '4F' and resid 322 through 358 removed outlier: 3.697A pdb=" N SER4F 330 " --> pdb=" O ALA4F 326 " (cutoff:3.500A) removed outlier: 3.569A pdb=" N LEU4F 331 " --> pdb=" O ASN4F 327 " (cutoff:3.500A) removed outlier: 3.738A pdb=" N GLU4F 341 " --> pdb=" O SER4F 337 " (cutoff:3.500A) removed outlier: 3.521A pdb=" N GLU4F 348 " --> pdb=" O ASP4F 344 " (cutoff:3.500A) removed outlier: 3.549A pdb=" N ASN4F 350 " --> pdb=" O LYS4F 346 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N LYS4F 351 " --> pdb=" O GLU4F 347 " (cutoff:3.500A) removed outlier: 3.616A pdb=" N ASP4F 352 " --> pdb=" O GLU4F 348 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N SER4F 355 " --> pdb=" O LYS4F 351 " (cutoff:3.500A) Processing helix chain '4F' and resid 363 through 378 removed outlier: 3.571A pdb=" N LYS4F 367 " --> pdb=" O ASP4F 363 " (cutoff:3.500A) removed outlier: 3.541A pdb=" N VAL4F 376 " --> pdb=" O ASP4F 372 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N PHE4F 377 " --> pdb=" O ALA4F 373 " (cutoff:3.500A) Processing helix chain '4F' and resid 386 through 404 removed outlier: 3.678A pdb=" N ALA4F 391 " --> pdb=" O ILE4F 387 " (cutoff:3.500A) removed outlier: 4.235A pdb=" N LYS4F 392 " --> pdb=" O GLU4F 388 " (cutoff:3.500A) removed outlier: 3.947A pdb=" N SER4F 395 " --> pdb=" O ALA4F 391 " (cutoff:3.500A) removed outlier: 3.722A pdb=" N LYS4F 402 " --> pdb=" O LEU4F 398 " (cutoff:3.500A) Processing helix chain '4F' and resid 405 through 407 No H-bonds generated for 'chain '4F' and resid 405 through 407' Processing helix chain '4F' and resid 410 through 415 removed outlier: 3.572A pdb=" N SER4F 415 " --> pdb=" O GLU4F 411 " (cutoff:3.500A) Processing helix chain '4F' and resid 419 through 425 removed outlier: 4.181A pdb=" N ALA4F 423 " --> pdb=" O LEU4F 419 " (cutoff:3.500A) removed outlier: 3.979A pdb=" N PHE4F 425 " --> pdb=" O PHE4F 421 " (cutoff:3.500A) Processing helix chain '4F' and resid 426 through 428 No H-bonds generated for 'chain '4F' and resid 426 through 428' Processing helix chain '4F' and resid 431 through 435 removed outlier: 3.751A pdb=" N ASN4F 434 " --> pdb=" O TYR4F 431 " (cutoff:3.500A) removed outlier: 3.996A pdb=" N THR4F 435 " --> pdb=" O ASP4F 432 " (cutoff:3.500A) No H-bonds generated for 'chain '4F' and resid 431 through 435' Processing helix chain '4F' and resid 448 through 460 removed outlier: 3.714A pdb=" N ASP4F 455 " --> pdb=" O THR4F 451 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N ILE4F 456 " --> pdb=" O ARG4F 452 " (cutoff:3.500A) Processing helix chain '4F' and resid 478 through 482 removed outlier: 3.744A pdb=" N GLU4F 482 " --> pdb=" O SER4F 479 " (cutoff:3.500A) Processing helix chain '4F' and resid 485 through 497 removed outlier: 3.517A pdb=" N LEU4F 494 " --> pdb=" O ASN4F 490 " (cutoff:3.500A) Processing helix chain '4F' and resid 505 through 520 Processing helix chain '4F' and resid 546 through 551 Processing helix chain '4F' and resid 586 through 605 removed outlier: 3.625A pdb=" N GLU4F 598 " --> pdb=" O ASN4F 594 " (cutoff:3.500A) removed outlier: 3.791A pdb=" N GLU4F 605 " --> pdb=" O LYS4F 601 " (cutoff:3.500A) Processing helix chain '4F' and resid 606 through 608 No H-bonds generated for 'chain '4F' and resid 606 through 608' Processing helix chain '4F' and resid 613 through 634 removed outlier: 3.736A pdb=" N ARG4F 619 " --> pdb=" O ASN4F 615 " (cutoff:3.500A) removed outlier: 3.687A pdb=" N LEU4F 630 " --> pdb=" O ASN4F 626 " (cutoff:3.500A) removed outlier: 3.509A pdb=" N GLN4F 631 " --> pdb=" O PHE4F 627 " (cutoff:3.500A) Processing helix chain '4F' and resid 641 through 645 removed outlier: 3.765A pdb=" N ALA4F 645 " --> pdb=" O LYS4F 641 " (cutoff:3.500A) No H-bonds generated for 'chain '4F' and resid 641 through 645' Processing helix chain '4F' and resid 657 through 664 Processing helix chain '5A' and resid 58 through 66 removed outlier: 3.633A pdb=" N TYR5A 65 " --> pdb=" O ASP5A 61 " (cutoff:3.500A) Processing helix chain '5A' and resid 104 through 115 Processing helix chain '5A' and resid 141 through 153 removed outlier: 3.832A pdb=" N LEU5A 145 " --> pdb=" O ASN5A 141 " (cutoff:3.500A) removed outlier: 3.759A pdb=" N VAL5A 151 " --> pdb=" O SER5A 147 " (cutoff:3.500A) removed outlier: 3.509A pdb=" N ILE5A 152 " --> pdb=" O GLY5A 148 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N ARG5A 153 " --> pdb=" O LEU5A 149 " (cutoff:3.500A) Processing helix chain '5A' and resid 165 through 169 Processing helix chain '5A' and resid 171 through 190 removed outlier: 3.565A pdb=" N PHE5A 175 " --> pdb=" O THR5A 171 " (cutoff:3.500A) Processing helix chain '5A' and resid 212 through 221 Processing helix chain '5A' and resid 224 through 229 Processing helix chain '5A' and resid 247 through 251 removed outlier: 3.761A pdb=" N ILE5A 251 " --> pdb=" O ALA5A 248 " (cutoff:3.500A) Processing helix chain '5A' and resid 261 through 274 removed outlier: 3.502A pdb=" N ASN5A 269 " --> pdb=" O THR5A 265 " (cutoff:3.500A) Processing helix chain '5A' and resid 279 through 287 removed outlier: 3.738A pdb=" N LEU5A 283 " --> pdb=" O ILE5A 279 " (cutoff:3.500A) removed outlier: 4.059A pdb=" N ASP5A 285 " --> pdb=" O ALA5A 281 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N LEU5A 286 " --> pdb=" O ILE5A 282 " (cutoff:3.500A) Processing helix chain '5A' and resid 322 through 358 removed outlier: 3.695A pdb=" N SER5A 330 " --> pdb=" O ALA5A 326 " (cutoff:3.500A) removed outlier: 3.568A pdb=" N LEU5A 331 " --> pdb=" O ASN5A 327 " (cutoff:3.500A) removed outlier: 3.738A pdb=" N GLU5A 341 " --> pdb=" O SER5A 337 " (cutoff:3.500A) removed outlier: 3.521A pdb=" N GLU5A 348 " --> pdb=" O ASP5A 344 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N ASN5A 350 " --> pdb=" O LYS5A 346 " (cutoff:3.500A) removed outlier: 3.555A pdb=" N LYS5A 351 " --> pdb=" O GLU5A 347 " (cutoff:3.500A) removed outlier: 3.617A pdb=" N ASP5A 352 " --> pdb=" O GLU5A 348 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N SER5A 355 " --> pdb=" O LYS5A 351 " (cutoff:3.500A) Processing helix chain '5A' and resid 363 through 378 removed outlier: 3.570A pdb=" N LYS5A 367 " --> pdb=" O ASP5A 363 " (cutoff:3.500A) removed outlier: 3.543A pdb=" N VAL5A 376 " --> pdb=" O ASP5A 372 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N PHE5A 377 " --> pdb=" O ALA5A 373 " (cutoff:3.500A) Processing helix chain '5A' and resid 386 through 404 removed outlier: 3.678A pdb=" N ALA5A 391 " --> pdb=" O ILE5A 387 " (cutoff:3.500A) removed outlier: 4.234A pdb=" N LYS5A 392 " --> pdb=" O GLU5A 388 " (cutoff:3.500A) removed outlier: 3.948A pdb=" N SER5A 395 " --> pdb=" O ALA5A 391 " (cutoff:3.500A) removed outlier: 3.723A pdb=" N LYS5A 402 " --> pdb=" O LEU5A 398 " (cutoff:3.500A) Processing helix chain '5A' and resid 405 through 407 No H-bonds generated for 'chain '5A' and resid 405 through 407' Processing helix chain '5A' and resid 410 through 415 removed outlier: 3.572A pdb=" N SER5A 415 " --> pdb=" O GLU5A 411 " (cutoff:3.500A) Processing helix chain '5A' and resid 419 through 425 removed outlier: 4.180A pdb=" N ALA5A 423 " --> pdb=" O LEU5A 419 " (cutoff:3.500A) removed outlier: 3.980A pdb=" N PHE5A 425 " --> pdb=" O PHE5A 421 " (cutoff:3.500A) Processing helix chain '5A' and resid 426 through 428 No H-bonds generated for 'chain '5A' and resid 426 through 428' Processing helix chain '5A' and resid 431 through 435 removed outlier: 3.751A pdb=" N ASN5A 434 " --> pdb=" O TYR5A 431 " (cutoff:3.500A) removed outlier: 3.997A pdb=" N THR5A 435 " --> pdb=" O ASP5A 432 " (cutoff:3.500A) No H-bonds generated for 'chain '5A' and resid 431 through 435' Processing helix chain '5A' and resid 448 through 460 removed outlier: 3.713A pdb=" N ASP5A 455 " --> pdb=" O THR5A 451 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N ILE5A 456 " --> pdb=" O ARG5A 452 " (cutoff:3.500A) Processing helix chain '5A' and resid 478 through 482 removed outlier: 3.744A pdb=" N GLU5A 482 " --> pdb=" O SER5A 479 " (cutoff:3.500A) Processing helix chain '5A' and resid 485 through 497 removed outlier: 3.518A pdb=" N LEU5A 494 " --> pdb=" O ASN5A 490 " (cutoff:3.500A) Processing helix chain '5A' and resid 505 through 520 Processing helix chain '5A' and resid 546 through 551 Processing helix chain '5A' and resid 586 through 605 removed outlier: 3.625A pdb=" N GLU5A 598 " --> pdb=" O ASN5A 594 " (cutoff:3.500A) removed outlier: 3.790A pdb=" N GLU5A 605 " --> pdb=" O LYS5A 601 " (cutoff:3.500A) Processing helix chain '5A' and resid 606 through 608 No H-bonds generated for 'chain '5A' and resid 606 through 608' Processing helix chain '5A' and resid 613 through 634 removed outlier: 3.735A pdb=" N ARG5A 619 " --> pdb=" O ASN5A 615 " (cutoff:3.500A) removed outlier: 3.687A pdb=" N LEU5A 630 " --> pdb=" O ASN5A 626 " (cutoff:3.500A) removed outlier: 3.508A pdb=" N GLN5A 631 " --> pdb=" O PHE5A 627 " (cutoff:3.500A) Processing helix chain '5A' and resid 641 through 645 removed outlier: 3.765A pdb=" N ALA5A 645 " --> pdb=" O LYS5A 641 " (cutoff:3.500A) No H-bonds generated for 'chain '5A' and resid 641 through 645' Processing helix chain '5A' and resid 657 through 664 Processing helix chain '5B' and resid 58 through 66 removed outlier: 3.631A pdb=" N TYR5B 65 " --> pdb=" O ASP5B 61 " (cutoff:3.500A) Processing helix chain '5B' and resid 104 through 115 Processing helix chain '5B' and resid 141 through 153 removed outlier: 3.831A pdb=" N LEU5B 145 " --> pdb=" O ASN5B 141 " (cutoff:3.500A) removed outlier: 3.759A pdb=" N VAL5B 151 " --> pdb=" O SER5B 147 " (cutoff:3.500A) removed outlier: 3.509A pdb=" N ILE5B 152 " --> pdb=" O GLY5B 148 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N ARG5B 153 " --> pdb=" O LEU5B 149 " (cutoff:3.500A) Processing helix chain '5B' and resid 165 through 169 Processing helix chain '5B' and resid 171 through 190 removed outlier: 3.565A pdb=" N PHE5B 175 " --> pdb=" O THR5B 171 " (cutoff:3.500A) Processing helix chain '5B' and resid 212 through 221 Processing helix chain '5B' and resid 224 through 229 Processing helix chain '5B' and resid 247 through 251 removed outlier: 3.762A pdb=" N ILE5B 251 " --> pdb=" O ALA5B 248 " (cutoff:3.500A) Processing helix chain '5B' and resid 261 through 274 removed outlier: 3.501A pdb=" N ASN5B 269 " --> pdb=" O THR5B 265 " (cutoff:3.500A) Processing helix chain '5B' and resid 279 through 287 removed outlier: 3.739A pdb=" N LEU5B 283 " --> pdb=" O ILE5B 279 " (cutoff:3.500A) removed outlier: 4.059A pdb=" N ASP5B 285 " --> pdb=" O ALA5B 281 " (cutoff:3.500A) removed outlier: 3.700A pdb=" N LEU5B 286 " --> pdb=" O ILE5B 282 " (cutoff:3.500A) Processing helix chain '5B' and resid 322 through 358 removed outlier: 3.696A pdb=" N SER5B 330 " --> pdb=" O ALA5B 326 " (cutoff:3.500A) removed outlier: 3.568A pdb=" N LEU5B 331 " --> pdb=" O ASN5B 327 " (cutoff:3.500A) removed outlier: 3.738A pdb=" N GLU5B 341 " --> pdb=" O SER5B 337 " (cutoff:3.500A) removed outlier: 3.520A pdb=" N GLU5B 348 " --> pdb=" O ASP5B 344 " (cutoff:3.500A) removed outlier: 3.546A pdb=" N ASN5B 350 " --> pdb=" O LYS5B 346 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N LYS5B 351 " --> pdb=" O GLU5B 347 " (cutoff:3.500A) removed outlier: 3.616A pdb=" N ASP5B 352 " --> pdb=" O GLU5B 348 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N SER5B 355 " --> pdb=" O LYS5B 351 " (cutoff:3.500A) Processing helix chain '5B' and resid 363 through 378 removed outlier: 3.571A pdb=" N LYS5B 367 " --> pdb=" O ASP5B 363 " (cutoff:3.500A) removed outlier: 3.542A pdb=" N VAL5B 376 " --> pdb=" O ASP5B 372 " (cutoff:3.500A) removed outlier: 3.516A pdb=" N PHE5B 377 " --> pdb=" O ALA5B 373 " (cutoff:3.500A) Processing helix chain '5B' and resid 386 through 404 removed outlier: 3.678A pdb=" N ALA5B 391 " --> pdb=" O ILE5B 387 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYS5B 392 " --> pdb=" O GLU5B 388 " (cutoff:3.500A) removed outlier: 3.948A pdb=" N SER5B 395 " --> pdb=" O ALA5B 391 " (cutoff:3.500A) removed outlier: 3.722A pdb=" N LYS5B 402 " --> pdb=" O LEU5B 398 " (cutoff:3.500A) Processing helix chain '5B' and resid 405 through 407 No H-bonds generated for 'chain '5B' and resid 405 through 407' Processing helix chain '5B' and resid 410 through 415 removed outlier: 3.573A pdb=" N SER5B 415 " --> pdb=" O GLU5B 411 " (cutoff:3.500A) Processing helix chain '5B' and resid 419 through 425 removed outlier: 4.182A pdb=" N ALA5B 423 " --> pdb=" O LEU5B 419 " (cutoff:3.500A) removed outlier: 3.979A pdb=" N PHE5B 425 " --> pdb=" O PHE5B 421 " (cutoff:3.500A) Processing helix chain '5B' and resid 426 through 428 No H-bonds generated for 'chain '5B' and resid 426 through 428' Processing helix chain '5B' and resid 431 through 435 removed outlier: 3.752A pdb=" N ASN5B 434 " --> pdb=" O TYR5B 431 " (cutoff:3.500A) removed outlier: 3.996A pdb=" N THR5B 435 " --> pdb=" O ASP5B 432 " (cutoff:3.500A) No H-bonds generated for 'chain '5B' and resid 431 through 435' Processing helix chain '5B' and resid 448 through 460 removed outlier: 3.713A pdb=" N ASP5B 455 " --> pdb=" O THR5B 451 " (cutoff:3.500A) removed outlier: 3.562A pdb=" N ILE5B 456 " --> pdb=" O ARG5B 452 " (cutoff:3.500A) Processing helix chain '5B' and resid 478 through 482 removed outlier: 3.744A pdb=" N GLU5B 482 " --> pdb=" O SER5B 479 " (cutoff:3.500A) Processing helix chain '5B' and resid 485 through 497 removed outlier: 3.518A pdb=" N LEU5B 494 " --> pdb=" O ASN5B 490 " (cutoff:3.500A) Processing helix chain '5B' and resid 505 through 520 Processing helix chain '5B' and resid 546 through 551 Processing helix chain '5B' and resid 586 through 605 removed outlier: 3.627A pdb=" N GLU5B 598 " --> pdb=" O ASN5B 594 " (cutoff:3.500A) removed outlier: 3.790A pdb=" N GLU5B 605 " --> pdb=" O LYS5B 601 " (cutoff:3.500A) Processing helix chain '5B' and resid 606 through 608 No H-bonds generated for 'chain '5B' and resid 606 through 608' Processing helix chain '5B' and resid 613 through 634 removed outlier: 3.736A pdb=" N ARG5B 619 " --> pdb=" O ASN5B 615 " (cutoff:3.500A) removed outlier: 3.685A pdb=" N LEU5B 630 " --> pdb=" O ASN5B 626 " (cutoff:3.500A) removed outlier: 3.509A pdb=" N GLN5B 631 " --> pdb=" O PHE5B 627 " (cutoff:3.500A) Processing helix chain '5B' and resid 641 through 645 removed outlier: 3.765A pdb=" N ALA5B 645 " --> pdb=" O LYS5B 641 " (cutoff:3.500A) No H-bonds generated for 'chain '5B' and resid 641 through 645' Processing helix chain '5B' and resid 657 through 664 Processing helix chain '5C' and resid 58 through 66 removed outlier: 3.631A pdb=" N TYR5C 65 " --> pdb=" O ASP5C 61 " (cutoff:3.500A) Processing helix chain '5C' and resid 104 through 115 Processing helix chain '5C' and resid 141 through 153 removed outlier: 3.832A pdb=" N LEU5C 145 " --> pdb=" O ASN5C 141 " (cutoff:3.500A) removed outlier: 3.759A pdb=" N VAL5C 151 " --> pdb=" O SER5C 147 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N ILE5C 152 " --> pdb=" O GLY5C 148 " (cutoff:3.500A) removed outlier: 3.597A pdb=" N ARG5C 153 " --> pdb=" O LEU5C 149 " (cutoff:3.500A) Processing helix chain '5C' and resid 165 through 169 Processing helix chain '5C' and resid 171 through 190 removed outlier: 3.564A pdb=" N PHE5C 175 " --> pdb=" O THR5C 171 " (cutoff:3.500A) Processing helix chain '5C' and resid 212 through 221 Processing helix chain '5C' and resid 224 through 229 Processing helix chain '5C' and resid 247 through 251 removed outlier: 3.762A pdb=" N ILE5C 251 " --> pdb=" O ALA5C 248 " (cutoff:3.500A) Processing helix chain '5C' and resid 261 through 274 removed outlier: 3.501A pdb=" N ASN5C 269 " --> pdb=" O THR5C 265 " (cutoff:3.500A) Processing helix chain '5C' and resid 279 through 287 removed outlier: 3.738A pdb=" N LEU5C 283 " --> pdb=" O ILE5C 279 " (cutoff:3.500A) removed outlier: 4.057A pdb=" N ASP5C 285 " --> pdb=" O ALA5C 281 " (cutoff:3.500A) removed outlier: 3.700A pdb=" N LEU5C 286 " --> pdb=" O ILE5C 282 " (cutoff:3.500A) Processing helix chain '5C' and resid 322 through 358 removed outlier: 3.695A pdb=" N SER5C 330 " --> pdb=" O ALA5C 326 " (cutoff:3.500A) removed outlier: 3.568A pdb=" N LEU5C 331 " --> pdb=" O ASN5C 327 " (cutoff:3.500A) removed outlier: 3.736A pdb=" N GLU5C 341 " --> pdb=" O SER5C 337 " (cutoff:3.500A) removed outlier: 3.521A pdb=" N GLU5C 348 " --> pdb=" O ASP5C 344 " (cutoff:3.500A) removed outlier: 3.548A pdb=" N ASN5C 350 " --> pdb=" O LYS5C 346 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N LYS5C 351 " --> pdb=" O GLU5C 347 " (cutoff:3.500A) removed outlier: 3.616A pdb=" N ASP5C 352 " --> pdb=" O GLU5C 348 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N SER5C 355 " --> pdb=" O LYS5C 351 " (cutoff:3.500A) Processing helix chain '5C' and resid 363 through 378 removed outlier: 3.572A pdb=" N LYS5C 367 " --> pdb=" O ASP5C 363 " (cutoff:3.500A) removed outlier: 3.542A pdb=" N VAL5C 376 " --> pdb=" O ASP5C 372 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N PHE5C 377 " --> pdb=" O ALA5C 373 " (cutoff:3.500A) Processing helix chain '5C' and resid 386 through 404 removed outlier: 3.678A pdb=" N ALA5C 391 " --> pdb=" O ILE5C 387 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYS5C 392 " --> pdb=" O GLU5C 388 " (cutoff:3.500A) removed outlier: 3.948A pdb=" N SER5C 395 " --> pdb=" O ALA5C 391 " (cutoff:3.500A) removed outlier: 3.722A pdb=" N LYS5C 402 " --> pdb=" O LEU5C 398 " (cutoff:3.500A) Processing helix chain '5C' and resid 405 through 407 No H-bonds generated for 'chain '5C' and resid 405 through 407' Processing helix chain '5C' and resid 410 through 415 removed outlier: 3.573A pdb=" N SER5C 415 " --> pdb=" O GLU5C 411 " (cutoff:3.500A) Processing helix chain '5C' and resid 419 through 425 removed outlier: 4.181A pdb=" N ALA5C 423 " --> pdb=" O LEU5C 419 " (cutoff:3.500A) removed outlier: 3.979A pdb=" N PHE5C 425 " --> pdb=" O PHE5C 421 " (cutoff:3.500A) Processing helix chain '5C' and resid 426 through 428 No H-bonds generated for 'chain '5C' and resid 426 through 428' Processing helix chain '5C' and resid 431 through 435 removed outlier: 3.751A pdb=" N ASN5C 434 " --> pdb=" O TYR5C 431 " (cutoff:3.500A) removed outlier: 3.995A pdb=" N THR5C 435 " --> pdb=" O ASP5C 432 " (cutoff:3.500A) No H-bonds generated for 'chain '5C' and resid 431 through 435' Processing helix chain '5C' and resid 448 through 460 removed outlier: 3.714A pdb=" N ASP5C 455 " --> pdb=" O THR5C 451 " (cutoff:3.500A) removed outlier: 3.562A pdb=" N ILE5C 456 " --> pdb=" O ARG5C 452 " (cutoff:3.500A) Processing helix chain '5C' and resid 478 through 482 removed outlier: 3.745A pdb=" N GLU5C 482 " --> pdb=" O SER5C 479 " (cutoff:3.500A) Processing helix chain '5C' and resid 485 through 497 removed outlier: 3.518A pdb=" N LEU5C 494 " --> pdb=" O ASN5C 490 " (cutoff:3.500A) Processing helix chain '5C' and resid 505 through 520 Processing helix chain '5C' and resid 546 through 551 Processing helix chain '5C' and resid 586 through 605 removed outlier: 3.625A pdb=" N GLU5C 598 " --> pdb=" O ASN5C 594 " (cutoff:3.500A) removed outlier: 3.790A pdb=" N GLU5C 605 " --> pdb=" O LYS5C 601 " (cutoff:3.500A) Processing helix chain '5C' and resid 606 through 608 No H-bonds generated for 'chain '5C' and resid 606 through 608' Processing helix chain '5C' and resid 613 through 634 removed outlier: 3.734A pdb=" N ARG5C 619 " --> pdb=" O ASN5C 615 " (cutoff:3.500A) removed outlier: 3.686A pdb=" N LEU5C 630 " --> pdb=" O ASN5C 626 " (cutoff:3.500A) removed outlier: 3.508A pdb=" N GLN5C 631 " --> pdb=" O PHE5C 627 " (cutoff:3.500A) Processing helix chain '5C' and resid 641 through 645 removed outlier: 3.766A pdb=" N ALA5C 645 " --> pdb=" O LYS5C 641 " (cutoff:3.500A) No H-bonds generated for 'chain '5C' and resid 641 through 645' Processing helix chain '5C' and resid 657 through 664 Processing helix chain '5D' and resid 58 through 66 removed outlier: 3.632A pdb=" N TYR5D 65 " --> pdb=" O ASP5D 61 " (cutoff:3.500A) Processing helix chain '5D' and resid 104 through 115 Processing helix chain '5D' and resid 141 through 153 removed outlier: 3.832A pdb=" N LEU5D 145 " --> pdb=" O ASN5D 141 " (cutoff:3.500A) removed outlier: 3.759A pdb=" N VAL5D 151 " --> pdb=" O SER5D 147 " (cutoff:3.500A) removed outlier: 3.509A pdb=" N ILE5D 152 " --> pdb=" O GLY5D 148 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N ARG5D 153 " --> pdb=" O LEU5D 149 " (cutoff:3.500A) Processing helix chain '5D' and resid 165 through 169 Processing helix chain '5D' and resid 171 through 190 removed outlier: 3.565A pdb=" N PHE5D 175 " --> pdb=" O THR5D 171 " (cutoff:3.500A) Processing helix chain '5D' and resid 212 through 221 Processing helix chain '5D' and resid 224 through 229 Processing helix chain '5D' and resid 247 through 251 removed outlier: 3.762A pdb=" N ILE5D 251 " --> pdb=" O ALA5D 248 " (cutoff:3.500A) Processing helix chain '5D' and resid 261 through 274 removed outlier: 3.501A pdb=" N ASN5D 269 " --> pdb=" O THR5D 265 " (cutoff:3.500A) Processing helix chain '5D' and resid 279 through 287 removed outlier: 3.738A pdb=" N LEU5D 283 " --> pdb=" O ILE5D 279 " (cutoff:3.500A) removed outlier: 4.058A pdb=" N ASP5D 285 " --> pdb=" O ALA5D 281 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N LEU5D 286 " --> pdb=" O ILE5D 282 " (cutoff:3.500A) Processing helix chain '5D' and resid 322 through 358 removed outlier: 3.696A pdb=" N SER5D 330 " --> pdb=" O ALA5D 326 " (cutoff:3.500A) removed outlier: 3.567A pdb=" N LEU5D 331 " --> pdb=" O ASN5D 327 " (cutoff:3.500A) removed outlier: 3.737A pdb=" N GLU5D 341 " --> pdb=" O SER5D 337 " (cutoff:3.500A) removed outlier: 3.521A pdb=" N GLU5D 348 " --> pdb=" O ASP5D 344 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N ASN5D 350 " --> pdb=" O LYS5D 346 " (cutoff:3.500A) removed outlier: 3.555A pdb=" N LYS5D 351 " --> pdb=" O GLU5D 347 " (cutoff:3.500A) removed outlier: 3.616A pdb=" N ASP5D 352 " --> pdb=" O GLU5D 348 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N SER5D 355 " --> pdb=" O LYS5D 351 " (cutoff:3.500A) Processing helix chain '5D' and resid 363 through 378 removed outlier: 3.570A pdb=" N LYS5D 367 " --> pdb=" O ASP5D 363 " (cutoff:3.500A) removed outlier: 3.544A pdb=" N VAL5D 376 " --> pdb=" O ASP5D 372 " (cutoff:3.500A) removed outlier: 3.514A pdb=" N PHE5D 377 " --> pdb=" O ALA5D 373 " (cutoff:3.500A) Processing helix chain '5D' and resid 386 through 404 removed outlier: 3.677A pdb=" N ALA5D 391 " --> pdb=" O ILE5D 387 " (cutoff:3.500A) removed outlier: 4.234A pdb=" N LYS5D 392 " --> pdb=" O GLU5D 388 " (cutoff:3.500A) removed outlier: 3.949A pdb=" N SER5D 395 " --> pdb=" O ALA5D 391 " (cutoff:3.500A) removed outlier: 3.722A pdb=" N LYS5D 402 " --> pdb=" O LEU5D 398 " (cutoff:3.500A) Processing helix chain '5D' and resid 405 through 407 No H-bonds generated for 'chain '5D' and resid 405 through 407' Processing helix chain '5D' and resid 410 through 415 removed outlier: 3.573A pdb=" N SER5D 415 " --> pdb=" O GLU5D 411 " (cutoff:3.500A) Processing helix chain '5D' and resid 419 through 425 removed outlier: 4.180A pdb=" N ALA5D 423 " --> pdb=" O LEU5D 419 " (cutoff:3.500A) removed outlier: 3.979A pdb=" N PHE5D 425 " --> pdb=" O PHE5D 421 " (cutoff:3.500A) Processing helix chain '5D' and resid 426 through 428 No H-bonds generated for 'chain '5D' and resid 426 through 428' Processing helix chain '5D' and resid 431 through 435 removed outlier: 3.751A pdb=" N ASN5D 434 " --> pdb=" O TYR5D 431 " (cutoff:3.500A) removed outlier: 3.996A pdb=" N THR5D 435 " --> pdb=" O ASP5D 432 " (cutoff:3.500A) No H-bonds generated for 'chain '5D' and resid 431 through 435' Processing helix chain '5D' and resid 448 through 460 removed outlier: 3.714A pdb=" N ASP5D 455 " --> pdb=" O THR5D 451 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N ILE5D 456 " --> pdb=" O ARG5D 452 " (cutoff:3.500A) Processing helix chain '5D' and resid 478 through 482 removed outlier: 3.745A pdb=" N GLU5D 482 " --> pdb=" O SER5D 479 " (cutoff:3.500A) Processing helix chain '5D' and resid 485 through 497 removed outlier: 3.518A pdb=" N LEU5D 494 " --> pdb=" O ASN5D 490 " (cutoff:3.500A) Processing helix chain '5D' and resid 505 through 520 Processing helix chain '5D' and resid 546 through 551 Processing helix chain '5D' and resid 586 through 605 removed outlier: 3.627A pdb=" N GLU5D 598 " --> pdb=" O ASN5D 594 " (cutoff:3.500A) removed outlier: 3.789A pdb=" N GLU5D 605 " --> pdb=" O LYS5D 601 " (cutoff:3.500A) Processing helix chain '5D' and resid 606 through 608 No H-bonds generated for 'chain '5D' and resid 606 through 608' Processing helix chain '5D' and resid 613 through 634 removed outlier: 3.736A pdb=" N ARG5D 619 " --> pdb=" O ASN5D 615 " (cutoff:3.500A) removed outlier: 3.687A pdb=" N LEU5D 630 " --> pdb=" O ASN5D 626 " (cutoff:3.500A) removed outlier: 3.508A pdb=" N GLN5D 631 " --> pdb=" O PHE5D 627 " (cutoff:3.500A) Processing helix chain '5D' and resid 641 through 645 removed outlier: 3.765A pdb=" N ALA5D 645 " --> pdb=" O LYS5D 641 " (cutoff:3.500A) No H-bonds generated for 'chain '5D' and resid 641 through 645' Processing helix chain '5D' and resid 657 through 664 Processing helix chain '5E' and resid 58 through 66 removed outlier: 3.631A pdb=" N TYR5E 65 " --> pdb=" O ASP5E 61 " (cutoff:3.500A) Processing helix chain '5E' and resid 104 through 115 Processing helix chain '5E' and resid 141 through 153 removed outlier: 3.832A pdb=" N LEU5E 145 " --> pdb=" O ASN5E 141 " (cutoff:3.500A) removed outlier: 3.758A pdb=" N VAL5E 151 " --> pdb=" O SER5E 147 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N ILE5E 152 " --> pdb=" O GLY5E 148 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N ARG5E 153 " --> pdb=" O LEU5E 149 " (cutoff:3.500A) Processing helix chain '5E' and resid 165 through 169 Processing helix chain '5E' and resid 171 through 190 removed outlier: 3.565A pdb=" N PHE5E 175 " --> pdb=" O THR5E 171 " (cutoff:3.500A) Processing helix chain '5E' and resid 212 through 221 Processing helix chain '5E' and resid 224 through 229 Processing helix chain '5E' and resid 247 through 251 removed outlier: 3.762A pdb=" N ILE5E 251 " --> pdb=" O ALA5E 248 " (cutoff:3.500A) Processing helix chain '5E' and resid 261 through 274 removed outlier: 3.501A pdb=" N ASN5E 269 " --> pdb=" O THR5E 265 " (cutoff:3.500A) Processing helix chain '5E' and resid 279 through 287 removed outlier: 3.738A pdb=" N LEU5E 283 " --> pdb=" O ILE5E 279 " (cutoff:3.500A) removed outlier: 4.058A pdb=" N ASP5E 285 " --> pdb=" O ALA5E 281 " (cutoff:3.500A) removed outlier: 3.700A pdb=" N LEU5E 286 " --> pdb=" O ILE5E 282 " (cutoff:3.500A) Processing helix chain '5E' and resid 322 through 358 removed outlier: 3.696A pdb=" N SER5E 330 " --> pdb=" O ALA5E 326 " (cutoff:3.500A) removed outlier: 3.567A pdb=" N LEU5E 331 " --> pdb=" O ASN5E 327 " (cutoff:3.500A) removed outlier: 3.737A pdb=" N GLU5E 341 " --> pdb=" O SER5E 337 " (cutoff:3.500A) removed outlier: 3.521A pdb=" N GLU5E 348 " --> pdb=" O ASP5E 344 " (cutoff:3.500A) removed outlier: 3.548A pdb=" N ASN5E 350 " --> pdb=" O LYS5E 346 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N LYS5E 351 " --> pdb=" O GLU5E 347 " (cutoff:3.500A) removed outlier: 3.616A pdb=" N ASP5E 352 " --> pdb=" O GLU5E 348 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N SER5E 355 " --> pdb=" O LYS5E 351 " (cutoff:3.500A) Processing helix chain '5E' and resid 363 through 378 removed outlier: 3.570A pdb=" N LYS5E 367 " --> pdb=" O ASP5E 363 " (cutoff:3.500A) removed outlier: 3.542A pdb=" N VAL5E 376 " --> pdb=" O ASP5E 372 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N PHE5E 377 " --> pdb=" O ALA5E 373 " (cutoff:3.500A) Processing helix chain '5E' and resid 386 through 404 removed outlier: 3.678A pdb=" N ALA5E 391 " --> pdb=" O ILE5E 387 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYS5E 392 " --> pdb=" O GLU5E 388 " (cutoff:3.500A) removed outlier: 3.948A pdb=" N SER5E 395 " --> pdb=" O ALA5E 391 " (cutoff:3.500A) removed outlier: 3.722A pdb=" N LYS5E 402 " --> pdb=" O LEU5E 398 " (cutoff:3.500A) Processing helix chain '5E' and resid 405 through 407 No H-bonds generated for 'chain '5E' and resid 405 through 407' Processing helix chain '5E' and resid 410 through 415 removed outlier: 3.573A pdb=" N SER5E 415 " --> pdb=" O GLU5E 411 " (cutoff:3.500A) Processing helix chain '5E' and resid 419 through 425 removed outlier: 4.182A pdb=" N ALA5E 423 " --> pdb=" O LEU5E 419 " (cutoff:3.500A) removed outlier: 3.979A pdb=" N PHE5E 425 " --> pdb=" O PHE5E 421 " (cutoff:3.500A) Processing helix chain '5E' and resid 426 through 428 No H-bonds generated for 'chain '5E' and resid 426 through 428' Processing helix chain '5E' and resid 431 through 435 removed outlier: 3.751A pdb=" N ASN5E 434 " --> pdb=" O TYR5E 431 " (cutoff:3.500A) removed outlier: 3.997A pdb=" N THR5E 435 " --> pdb=" O ASP5E 432 " (cutoff:3.500A) No H-bonds generated for 'chain '5E' and resid 431 through 435' Processing helix chain '5E' and resid 448 through 460 removed outlier: 3.714A pdb=" N ASP5E 455 " --> pdb=" O THR5E 451 " (cutoff:3.500A) removed outlier: 3.562A pdb=" N ILE5E 456 " --> pdb=" O ARG5E 452 " (cutoff:3.500A) Processing helix chain '5E' and resid 478 through 482 removed outlier: 3.744A pdb=" N GLU5E 482 " --> pdb=" O SER5E 479 " (cutoff:3.500A) Processing helix chain '5E' and resid 485 through 497 removed outlier: 3.517A pdb=" N LEU5E 494 " --> pdb=" O ASN5E 490 " (cutoff:3.500A) Processing helix chain '5E' and resid 505 through 520 Processing helix chain '5E' and resid 546 through 551 Processing helix chain '5E' and resid 586 through 605 removed outlier: 3.627A pdb=" N GLU5E 598 " --> pdb=" O ASN5E 594 " (cutoff:3.500A) removed outlier: 3.790A pdb=" N GLU5E 605 " --> pdb=" O LYS5E 601 " (cutoff:3.500A) Processing helix chain '5E' and resid 606 through 608 No H-bonds generated for 'chain '5E' and resid 606 through 608' Processing helix chain '5E' and resid 613 through 634 removed outlier: 3.735A pdb=" N ARG5E 619 " --> pdb=" O ASN5E 615 " (cutoff:3.500A) removed outlier: 3.686A pdb=" N LEU5E 630 " --> pdb=" O ASN5E 626 " (cutoff:3.500A) removed outlier: 3.508A pdb=" N GLN5E 631 " --> pdb=" O PHE5E 627 " (cutoff:3.500A) Processing helix chain '5E' and resid 641 through 645 removed outlier: 3.765A pdb=" N ALA5E 645 " --> pdb=" O LYS5E 641 " (cutoff:3.500A) No H-bonds generated for 'chain '5E' and resid 641 through 645' Processing helix chain '5E' and resid 657 through 664 Processing helix chain '5F' and resid 58 through 66 removed outlier: 3.632A pdb=" N TYR5F 65 " --> pdb=" O ASP5F 61 " (cutoff:3.500A) Processing helix chain '5F' and resid 104 through 115 Processing helix chain '5F' and resid 141 through 153 removed outlier: 3.832A pdb=" N LEU5F 145 " --> pdb=" O ASN5F 141 " (cutoff:3.500A) removed outlier: 3.759A pdb=" N VAL5F 151 " --> pdb=" O SER5F 147 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N ILE5F 152 " --> pdb=" O GLY5F 148 " (cutoff:3.500A) removed outlier: 3.596A pdb=" N ARG5F 153 " --> pdb=" O LEU5F 149 " (cutoff:3.500A) Processing helix chain '5F' and resid 165 through 169 Processing helix chain '5F' and resid 171 through 190 removed outlier: 3.565A pdb=" N PHE5F 175 " --> pdb=" O THR5F 171 " (cutoff:3.500A) Processing helix chain '5F' and resid 212 through 221 Processing helix chain '5F' and resid 224 through 229 Processing helix chain '5F' and resid 247 through 251 removed outlier: 3.762A pdb=" N ILE5F 251 " --> pdb=" O ALA5F 248 " (cutoff:3.500A) Processing helix chain '5F' and resid 261 through 274 removed outlier: 3.501A pdb=" N ASN5F 269 " --> pdb=" O THR5F 265 " (cutoff:3.500A) Processing helix chain '5F' and resid 279 through 287 removed outlier: 3.738A pdb=" N LEU5F 283 " --> pdb=" O ILE5F 279 " (cutoff:3.500A) removed outlier: 4.057A pdb=" N ASP5F 285 " --> pdb=" O ALA5F 281 " (cutoff:3.500A) removed outlier: 3.698A pdb=" N LEU5F 286 " --> pdb=" O ILE5F 282 " (cutoff:3.500A) Processing helix chain '5F' and resid 322 through 358 removed outlier: 3.697A pdb=" N SER5F 330 " --> pdb=" O ALA5F 326 " (cutoff:3.500A) removed outlier: 3.568A pdb=" N LEU5F 331 " --> pdb=" O ASN5F 327 " (cutoff:3.500A) removed outlier: 3.736A pdb=" N GLU5F 341 " --> pdb=" O SER5F 337 " (cutoff:3.500A) removed outlier: 3.521A pdb=" N GLU5F 348 " --> pdb=" O ASP5F 344 " (cutoff:3.500A) removed outlier: 3.548A pdb=" N ASN5F 350 " --> pdb=" O LYS5F 346 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N LYS5F 351 " --> pdb=" O GLU5F 347 " (cutoff:3.500A) removed outlier: 3.616A pdb=" N ASP5F 352 " --> pdb=" O GLU5F 348 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N SER5F 355 " --> pdb=" O LYS5F 351 " (cutoff:3.500A) Processing helix chain '5F' and resid 363 through 378 removed outlier: 3.572A pdb=" N LYS5F 367 " --> pdb=" O ASP5F 363 " (cutoff:3.500A) removed outlier: 3.542A pdb=" N VAL5F 376 " --> pdb=" O ASP5F 372 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N PHE5F 377 " --> pdb=" O ALA5F 373 " (cutoff:3.500A) Processing helix chain '5F' and resid 386 through 404 removed outlier: 3.677A pdb=" N ALA5F 391 " --> pdb=" O ILE5F 387 " (cutoff:3.500A) removed outlier: 4.234A pdb=" N LYS5F 392 " --> pdb=" O GLU5F 388 " (cutoff:3.500A) removed outlier: 3.948A pdb=" N SER5F 395 " --> pdb=" O ALA5F 391 " (cutoff:3.500A) removed outlier: 3.723A pdb=" N LYS5F 402 " --> pdb=" O LEU5F 398 " (cutoff:3.500A) Processing helix chain '5F' and resid 405 through 407 No H-bonds generated for 'chain '5F' and resid 405 through 407' Processing helix chain '5F' and resid 410 through 415 removed outlier: 3.572A pdb=" N SER5F 415 " --> pdb=" O GLU5F 411 " (cutoff:3.500A) Processing helix chain '5F' and resid 419 through 425 removed outlier: 4.181A pdb=" N ALA5F 423 " --> pdb=" O LEU5F 419 " (cutoff:3.500A) removed outlier: 3.980A pdb=" N PHE5F 425 " --> pdb=" O PHE5F 421 " (cutoff:3.500A) Processing helix chain '5F' and resid 426 through 428 No H-bonds generated for 'chain '5F' and resid 426 through 428' Processing helix chain '5F' and resid 431 through 435 removed outlier: 3.752A pdb=" N ASN5F 434 " --> pdb=" O TYR5F 431 " (cutoff:3.500A) removed outlier: 3.996A pdb=" N THR5F 435 " --> pdb=" O ASP5F 432 " (cutoff:3.500A) No H-bonds generated for 'chain '5F' and resid 431 through 435' Processing helix chain '5F' and resid 448 through 460 removed outlier: 3.713A pdb=" N ASP5F 455 " --> pdb=" O THR5F 451 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N ILE5F 456 " --> pdb=" O ARG5F 452 " (cutoff:3.500A) Processing helix chain '5F' and resid 478 through 482 removed outlier: 3.744A pdb=" N GLU5F 482 " --> pdb=" O SER5F 479 " (cutoff:3.500A) Processing helix chain '5F' and resid 485 through 497 removed outlier: 3.518A pdb=" N LEU5F 494 " --> pdb=" O ASN5F 490 " (cutoff:3.500A) Processing helix chain '5F' and resid 505 through 520 Processing helix chain '5F' and resid 546 through 551 Processing helix chain '5F' and resid 586 through 605 removed outlier: 3.625A pdb=" N GLU5F 598 " --> pdb=" O ASN5F 594 " (cutoff:3.500A) removed outlier: 3.790A pdb=" N GLU5F 605 " --> pdb=" O LYS5F 601 " (cutoff:3.500A) Processing helix chain '5F' and resid 606 through 608 No H-bonds generated for 'chain '5F' and resid 606 through 608' Processing helix chain '5F' and resid 613 through 634 removed outlier: 3.736A pdb=" N ARG5F 619 " --> pdb=" O ASN5F 615 " (cutoff:3.500A) removed outlier: 3.685A pdb=" N LEU5F 630 " --> pdb=" O ASN5F 626 " (cutoff:3.500A) removed outlier: 3.508A pdb=" N GLN5F 631 " --> pdb=" O PHE5F 627 " (cutoff:3.500A) Processing helix chain '5F' and resid 641 through 645 removed outlier: 3.765A pdb=" N ALA5F 645 " --> pdb=" O LYS5F 641 " (cutoff:3.500A) No H-bonds generated for 'chain '5F' and resid 641 through 645' Processing helix chain '5F' and resid 657 through 664 Processing sheet with id=AA1, first strand: chain '3A' and resid 8 through 13 Processing sheet with id=AA2, first strand: chain '3A' and resid 54 through 56 removed outlier: 7.870A pdb=" N VAL3A 123 " --> pdb=" O PRO3A 29 " (cutoff:3.500A) removed outlier: 6.224A pdb=" N PHE3A 31 " --> pdb=" O VAL3A 123 " (cutoff:3.500A) removed outlier: 7.165A pdb=" N THR3A 125 " --> pdb=" O PHE3A 31 " (cutoff:3.500A) removed outlier: 7.339A pdb=" N GLY3A 33 " --> pdb=" O THR3A 125 " (cutoff:3.500A) removed outlier: 6.798A pdb=" N VAL3A 127 " --> pdb=" O GLY3A 33 " (cutoff:3.500A) removed outlier: 5.810A pdb=" N THR3A 35 " --> pdb=" O VAL3A 127 " (cutoff:3.500A) removed outlier: 6.303A pdb=" N ALA3A 30 " --> pdb=" O LEU3A 162 " (cutoff:3.500A) removed outlier: 3.730A pdb=" N ILE3A 195 " --> pdb=" O LEU3A 161 " (cutoff:3.500A) removed outlier: 9.092A pdb=" N ASN3A 559 " --> pdb=" O GLY3A 231 " (cutoff:3.500A) removed outlier: 6.747A pdb=" N ALA3A 233 " --> pdb=" O ASN3A 559 " (cutoff:3.500A) removed outlier: 7.938A pdb=" N ILE3A 561 " --> pdb=" O ALA3A 233 " (cutoff:3.500A) removed outlier: 7.138A pdb=" N TYR3A 235 " --> pdb=" O ILE3A 561 " (cutoff:3.500A) removed outlier: 9.269A pdb=" N SER3A 563 " --> pdb=" O TYR3A 235 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N ALA3A 560 " --> pdb=" O TRP3A 572 " (cutoff:3.500A) removed outlier: 4.018A pdb=" N ILE3A 529 " --> pdb=" O VAL3A 571 " (cutoff:3.500A) Processing sheet with id=AA3, first strand: chain '3A' and resid 87 through 93 removed outlier: 6.796A pdb=" N VAL3A 77 " --> pdb=" O GLN3A 254 " (cutoff:3.500A) removed outlier: 8.140A pdb=" N LEU3A 256 " --> pdb=" O VAL3A 77 " (cutoff:3.500A) removed outlier: 6.404A pdb=" N LEU3A 79 " --> pdb=" O LEU3A 256 " (cutoff:3.500A) Processing sheet with id=AA4, first strand: chain '3A' and resid 204 through 205 Processing sheet with id=AA5, first strand: chain '3A' and resid 502 through 503 removed outlier: 7.215A pdb=" N GLN3A 239 " --> pdb=" O SER3A 535 " (cutoff:3.500A) Processing sheet with id=AA6, first strand: chain '3A' and resid 646 through 649 removed outlier: 6.632A pdb=" N ILE4A 681 " --> pdb=" O TYR4B 10 " (cutoff:3.500A) removed outlier: 7.733A pdb=" N GLU4B 12 " --> pdb=" O ILE4A 681 " (cutoff:3.500A) removed outlier: 6.337A pdb=" N LEU4A 683 " --> pdb=" O GLU4B 12 " (cutoff:3.500A) Processing sheet with id=AA7, first strand: chain '3A' and resid 680 through 685 removed outlier: 6.633A pdb=" N ILE3A 681 " --> pdb=" O TYR3B 10 " (cutoff:3.500A) removed outlier: 7.733A pdb=" N GLU3B 12 " --> pdb=" O ILE3A 681 " (cutoff:3.500A) removed outlier: 6.337A pdb=" N LEU3A 683 " --> pdb=" O GLU3B 12 " (cutoff:3.500A) No H-bonds generated for sheet with id=AA7 Processing sheet with id=AA8, first strand: chain '3B' and resid 54 through 56 removed outlier: 7.869A pdb=" N VAL3B 123 " --> pdb=" O PRO3B 29 " (cutoff:3.500A) removed outlier: 6.225A pdb=" N PHE3B 31 " --> pdb=" O VAL3B 123 " (cutoff:3.500A) removed outlier: 7.165A pdb=" N THR3B 125 " --> pdb=" O PHE3B 31 " (cutoff:3.500A) removed outlier: 7.340A pdb=" N GLY3B 33 " --> pdb=" O THR3B 125 " (cutoff:3.500A) removed outlier: 6.797A pdb=" N VAL3B 127 " --> pdb=" O GLY3B 33 " (cutoff:3.500A) removed outlier: 5.809A pdb=" N THR3B 35 " --> pdb=" O VAL3B 127 " (cutoff:3.500A) removed outlier: 6.303A pdb=" N ALA3B 30 " --> pdb=" O LEU3B 162 " (cutoff:3.500A) removed outlier: 3.730A pdb=" N ILE3B 195 " --> pdb=" O LEU3B 161 " (cutoff:3.500A) removed outlier: 9.092A pdb=" N ASN3B 559 " --> pdb=" O GLY3B 231 " (cutoff:3.500A) removed outlier: 6.748A pdb=" N ALA3B 233 " --> pdb=" O ASN3B 559 " (cutoff:3.500A) removed outlier: 7.937A pdb=" N ILE3B 561 " --> pdb=" O ALA3B 233 " (cutoff:3.500A) removed outlier: 7.138A pdb=" N TYR3B 235 " --> pdb=" O ILE3B 561 " (cutoff:3.500A) removed outlier: 9.269A pdb=" N SER3B 563 " --> pdb=" O TYR3B 235 " (cutoff:3.500A) removed outlier: 3.643A pdb=" N ALA3B 560 " --> pdb=" O TRP3B 572 " (cutoff:3.500A) removed outlier: 4.018A pdb=" N ILE3B 529 " --> pdb=" O VAL3B 571 " (cutoff:3.500A) Processing sheet with id=AA9, first strand: chain '3B' and resid 87 through 93 removed outlier: 6.796A pdb=" N VAL3B 77 " --> pdb=" O GLN3B 254 " (cutoff:3.500A) removed outlier: 8.140A pdb=" N LEU3B 256 " --> pdb=" O VAL3B 77 " (cutoff:3.500A) removed outlier: 6.404A pdb=" N LEU3B 79 " --> pdb=" O LEU3B 256 " (cutoff:3.500A) Processing sheet with id=AB1, first strand: chain '3B' and resid 204 through 205 Processing sheet with id=AB2, first strand: chain '3B' and resid 502 through 503 removed outlier: 7.215A pdb=" N GLN3B 239 " --> pdb=" O SER3B 535 " (cutoff:3.500A) Processing sheet with id=AB3, first strand: chain '3B' and resid 646 through 649 removed outlier: 6.632A pdb=" N ILE4B 681 " --> pdb=" O TYR4C 10 " (cutoff:3.500A) removed outlier: 7.733A pdb=" N GLU4C 12 " --> pdb=" O ILE4B 681 " (cutoff:3.500A) removed outlier: 6.338A pdb=" N LEU4B 683 " --> pdb=" O GLU4C 12 " (cutoff:3.500A) Processing sheet with id=AB4, first strand: chain '3B' and resid 680 through 685 removed outlier: 6.631A pdb=" N ILE3B 681 " --> pdb=" O TYR3C 10 " (cutoff:3.500A) removed outlier: 7.732A pdb=" N GLU3C 12 " --> pdb=" O ILE3B 681 " (cutoff:3.500A) removed outlier: 6.338A pdb=" N LEU3B 683 " --> pdb=" O GLU3C 12 " (cutoff:3.500A) No H-bonds generated for sheet with id=AB4 Processing sheet with id=AB5, first strand: chain '3C' and resid 54 through 56 removed outlier: 7.870A pdb=" N VAL3C 123 " --> pdb=" O PRO3C 29 " (cutoff:3.500A) removed outlier: 6.225A pdb=" N PHE3C 31 " --> pdb=" O VAL3C 123 " (cutoff:3.500A) removed outlier: 7.164A pdb=" N THR3C 125 " --> pdb=" O PHE3C 31 " (cutoff:3.500A) removed outlier: 7.340A pdb=" N GLY3C 33 " --> pdb=" O THR3C 125 " (cutoff:3.500A) removed outlier: 6.798A pdb=" N VAL3C 127 " --> pdb=" O GLY3C 33 " (cutoff:3.500A) removed outlier: 5.811A pdb=" N THR3C 35 " --> pdb=" O VAL3C 127 " (cutoff:3.500A) removed outlier: 6.304A pdb=" N ALA3C 30 " --> pdb=" O LEU3C 162 " (cutoff:3.500A) removed outlier: 3.730A pdb=" N ILE3C 195 " --> pdb=" O LEU3C 161 " (cutoff:3.500A) removed outlier: 9.092A pdb=" N ASN3C 559 " --> pdb=" O GLY3C 231 " (cutoff:3.500A) removed outlier: 6.747A pdb=" N ALA3C 233 " --> pdb=" O ASN3C 559 " (cutoff:3.500A) removed outlier: 7.937A pdb=" N ILE3C 561 " --> pdb=" O ALA3C 233 " (cutoff:3.500A) removed outlier: 7.139A pdb=" N TYR3C 235 " --> pdb=" O ILE3C 561 " (cutoff:3.500A) removed outlier: 9.269A pdb=" N SER3C 563 " --> pdb=" O TYR3C 235 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N ALA3C 560 " --> pdb=" O TRP3C 572 " (cutoff:3.500A) removed outlier: 4.018A pdb=" N ILE3C 529 " --> pdb=" O VAL3C 571 " (cutoff:3.500A) Processing sheet with id=AB6, first strand: chain '3C' and resid 87 through 93 removed outlier: 6.797A pdb=" N VAL3C 77 " --> pdb=" O GLN3C 254 " (cutoff:3.500A) removed outlier: 8.140A pdb=" N LEU3C 256 " --> pdb=" O VAL3C 77 " (cutoff:3.500A) removed outlier: 6.404A pdb=" N LEU3C 79 " --> pdb=" O LEU3C 256 " (cutoff:3.500A) Processing sheet with id=AB7, first strand: chain '3C' and resid 204 through 205 Processing sheet with id=AB8, first strand: chain '3C' and resid 502 through 503 removed outlier: 7.215A pdb=" N GLN3C 239 " --> pdb=" O SER3C 535 " (cutoff:3.500A) Processing sheet with id=AB9, first strand: chain '3C' and resid 646 through 649 removed outlier: 6.632A pdb=" N ILE4C 681 " --> pdb=" O TYR4D 10 " (cutoff:3.500A) removed outlier: 7.732A pdb=" N GLU4D 12 " --> pdb=" O ILE4C 681 " (cutoff:3.500A) removed outlier: 6.338A pdb=" N LEU4C 683 " --> pdb=" O GLU4D 12 " (cutoff:3.500A) Processing sheet with id=AC1, first strand: chain '3C' and resid 680 through 685 removed outlier: 6.632A pdb=" N ILE3C 681 " --> pdb=" O TYR3D 10 " (cutoff:3.500A) removed outlier: 7.733A pdb=" N GLU3D 12 " --> pdb=" O ILE3C 681 " (cutoff:3.500A) removed outlier: 6.339A pdb=" N LEU3C 683 " --> pdb=" O GLU3D 12 " (cutoff:3.500A) No H-bonds generated for sheet with id=AC1 Processing sheet with id=AC2, first strand: chain '3D' and resid 54 through 56 removed outlier: 7.869A pdb=" N VAL3D 123 " --> pdb=" O PRO3D 29 " (cutoff:3.500A) removed outlier: 6.224A pdb=" N PHE3D 31 " --> pdb=" O VAL3D 123 " (cutoff:3.500A) removed outlier: 7.164A pdb=" N THR3D 125 " --> pdb=" O PHE3D 31 " (cutoff:3.500A) removed outlier: 7.340A pdb=" N GLY3D 33 " --> pdb=" O THR3D 125 " (cutoff:3.500A) removed outlier: 6.798A pdb=" N VAL3D 127 " --> pdb=" O GLY3D 33 " (cutoff:3.500A) removed outlier: 5.810A pdb=" N THR3D 35 " --> pdb=" O VAL3D 127 " (cutoff:3.500A) removed outlier: 6.302A pdb=" N ALA3D 30 " --> pdb=" O LEU3D 162 " (cutoff:3.500A) removed outlier: 3.730A pdb=" N ILE3D 195 " --> pdb=" O LEU3D 161 " (cutoff:3.500A) removed outlier: 9.092A pdb=" N ASN3D 559 " --> pdb=" O GLY3D 231 " (cutoff:3.500A) removed outlier: 6.747A pdb=" N ALA3D 233 " --> pdb=" O ASN3D 559 " (cutoff:3.500A) removed outlier: 7.938A pdb=" N ILE3D 561 " --> pdb=" O ALA3D 233 " (cutoff:3.500A) removed outlier: 7.139A pdb=" N TYR3D 235 " --> pdb=" O ILE3D 561 " (cutoff:3.500A) removed outlier: 9.269A pdb=" N SER3D 563 " --> pdb=" O TYR3D 235 " (cutoff:3.500A) removed outlier: 3.643A pdb=" N ALA3D 560 " --> pdb=" O TRP3D 572 " (cutoff:3.500A) removed outlier: 4.018A pdb=" N ILE3D 529 " --> pdb=" O VAL3D 571 " (cutoff:3.500A) Processing sheet with id=AC3, first strand: chain '3D' and resid 87 through 93 removed outlier: 6.795A pdb=" N VAL3D 77 " --> pdb=" O GLN3D 254 " (cutoff:3.500A) removed outlier: 8.140A pdb=" N LEU3D 256 " --> pdb=" O VAL3D 77 " (cutoff:3.500A) removed outlier: 6.404A pdb=" N LEU3D 79 " --> pdb=" O LEU3D 256 " (cutoff:3.500A) Processing sheet with id=AC4, first strand: chain '3D' and resid 204 through 205 Processing sheet with id=AC5, first strand: chain '3D' and resid 502 through 503 removed outlier: 7.215A pdb=" N GLN3D 239 " --> pdb=" O SER3D 535 " (cutoff:3.500A) Processing sheet with id=AC6, first strand: chain '3D' and resid 646 through 649 removed outlier: 6.632A pdb=" N ILE4D 681 " --> pdb=" O TYR4E 10 " (cutoff:3.500A) removed outlier: 7.734A pdb=" N GLU4E 12 " --> pdb=" O ILE4D 681 " (cutoff:3.500A) removed outlier: 6.338A pdb=" N LEU4D 683 " --> pdb=" O GLU4E 12 " (cutoff:3.500A) Processing sheet with id=AC7, first strand: chain '3D' and resid 680 through 685 removed outlier: 6.633A pdb=" N ILE3D 681 " --> pdb=" O TYR3E 10 " (cutoff:3.500A) removed outlier: 7.734A pdb=" N GLU3E 12 " --> pdb=" O ILE3D 681 " (cutoff:3.500A) removed outlier: 6.337A pdb=" N LEU3D 683 " --> pdb=" O GLU3E 12 " (cutoff:3.500A) No H-bonds generated for sheet with id=AC7 Processing sheet with id=AC8, first strand: chain '3E' and resid 54 through 56 removed outlier: 7.869A pdb=" N VAL3E 123 " --> pdb=" O PRO3E 29 " (cutoff:3.500A) removed outlier: 6.224A pdb=" N PHE3E 31 " --> pdb=" O VAL3E 123 " (cutoff:3.500A) removed outlier: 7.164A pdb=" N THR3E 125 " --> pdb=" O PHE3E 31 " (cutoff:3.500A) removed outlier: 7.340A pdb=" N GLY3E 33 " --> pdb=" O THR3E 125 " (cutoff:3.500A) removed outlier: 6.797A pdb=" N VAL3E 127 " --> pdb=" O GLY3E 33 " (cutoff:3.500A) removed outlier: 5.810A pdb=" N THR3E 35 " --> pdb=" O VAL3E 127 " (cutoff:3.500A) removed outlier: 6.303A pdb=" N ALA3E 30 " --> pdb=" O LEU3E 162 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N ILE3E 195 " --> pdb=" O LEU3E 161 " (cutoff:3.500A) removed outlier: 9.092A pdb=" N ASN3E 559 " --> pdb=" O GLY3E 231 " (cutoff:3.500A) removed outlier: 6.747A pdb=" N ALA3E 233 " --> pdb=" O ASN3E 559 " (cutoff:3.500A) removed outlier: 7.937A pdb=" N ILE3E 561 " --> pdb=" O ALA3E 233 " (cutoff:3.500A) removed outlier: 7.139A pdb=" N TYR3E 235 " --> pdb=" O ILE3E 561 " (cutoff:3.500A) removed outlier: 9.269A pdb=" N SER3E 563 " --> pdb=" O TYR3E 235 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N ALA3E 560 " --> pdb=" O TRP3E 572 " (cutoff:3.500A) removed outlier: 4.018A pdb=" N ILE3E 529 " --> pdb=" O VAL3E 571 " (cutoff:3.500A) Processing sheet with id=AC9, first strand: chain '3E' and resid 87 through 93 removed outlier: 6.797A pdb=" N VAL3E 77 " --> pdb=" O GLN3E 254 " (cutoff:3.500A) removed outlier: 8.140A pdb=" N LEU3E 256 " --> pdb=" O VAL3E 77 " (cutoff:3.500A) removed outlier: 6.405A pdb=" N LEU3E 79 " --> pdb=" O LEU3E 256 " (cutoff:3.500A) Processing sheet with id=AD1, first strand: chain '3E' and resid 204 through 205 Processing sheet with id=AD2, first strand: chain '3E' and resid 502 through 503 removed outlier: 7.216A pdb=" N GLN3E 239 " --> pdb=" O SER3E 535 " (cutoff:3.500A) Processing sheet with id=AD3, first strand: chain '3E' and resid 646 through 649 removed outlier: 6.631A pdb=" N ILE4E 681 " --> pdb=" O TYR4F 10 " (cutoff:3.500A) removed outlier: 7.732A pdb=" N GLU4F 12 " --> pdb=" O ILE4E 681 " (cutoff:3.500A) removed outlier: 6.338A pdb=" N LEU4E 683 " --> pdb=" O GLU4F 12 " (cutoff:3.500A) Processing sheet with id=AD4, first strand: chain '3E' and resid 680 through 685 removed outlier: 6.631A pdb=" N ILE3E 681 " --> pdb=" O TYR3F 10 " (cutoff:3.500A) removed outlier: 7.733A pdb=" N GLU3F 12 " --> pdb=" O ILE3E 681 " (cutoff:3.500A) removed outlier: 6.339A pdb=" N LEU3E 683 " --> pdb=" O GLU3F 12 " (cutoff:3.500A) No H-bonds generated for sheet with id=AD4 Processing sheet with id=AD5, first strand: chain '3F' and resid 54 through 56 removed outlier: 7.869A pdb=" N VAL3F 123 " --> pdb=" O PRO3F 29 " (cutoff:3.500A) removed outlier: 6.224A pdb=" N PHE3F 31 " --> pdb=" O VAL3F 123 " (cutoff:3.500A) removed outlier: 7.165A pdb=" N THR3F 125 " --> pdb=" O PHE3F 31 " (cutoff:3.500A) removed outlier: 7.340A pdb=" N GLY3F 33 " --> pdb=" O THR3F 125 " (cutoff:3.500A) removed outlier: 6.797A pdb=" N VAL3F 127 " --> pdb=" O GLY3F 33 " (cutoff:3.500A) removed outlier: 5.811A pdb=" N THR3F 35 " --> pdb=" O VAL3F 127 " (cutoff:3.500A) removed outlier: 6.303A pdb=" N ALA3F 30 " --> pdb=" O LEU3F 162 " (cutoff:3.500A) removed outlier: 3.729A pdb=" N ILE3F 195 " --> pdb=" O LEU3F 161 " (cutoff:3.500A) removed outlier: 9.092A pdb=" N ASN3F 559 " --> pdb=" O GLY3F 231 " (cutoff:3.500A) removed outlier: 6.748A pdb=" N ALA3F 233 " --> pdb=" O ASN3F 559 " (cutoff:3.500A) removed outlier: 7.938A pdb=" N ILE3F 561 " --> pdb=" O ALA3F 233 " (cutoff:3.500A) removed outlier: 7.139A pdb=" N TYR3F 235 " --> pdb=" O ILE3F 561 " (cutoff:3.500A) removed outlier: 9.270A pdb=" N SER3F 563 " --> pdb=" O TYR3F 235 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N ALA3F 560 " --> pdb=" O TRP3F 572 " (cutoff:3.500A) removed outlier: 4.018A pdb=" N ILE3F 529 " --> pdb=" O VAL3F 571 " (cutoff:3.500A) Processing sheet with id=AD6, first strand: chain '3F' and resid 87 through 93 removed outlier: 6.796A pdb=" N VAL3F 77 " --> pdb=" O GLN3F 254 " (cutoff:3.500A) removed outlier: 8.139A pdb=" N LEU3F 256 " --> pdb=" O VAL3F 77 " (cutoff:3.500A) removed outlier: 6.404A pdb=" N LEU3F 79 " --> pdb=" O LEU3F 256 " (cutoff:3.500A) Processing sheet with id=AD7, first strand: chain '3F' and resid 204 through 205 Processing sheet with id=AD8, first strand: chain '3F' and resid 502 through 503 removed outlier: 7.215A pdb=" N GLN3F 239 " --> pdb=" O SER3F 535 " (cutoff:3.500A) Processing sheet with id=AD9, first strand: chain '3F' and resid 646 through 649 Processing sheet with id=AE1, first strand: chain '4A' and resid 54 through 56 removed outlier: 7.870A pdb=" N VAL4A 123 " --> pdb=" O PRO4A 29 " (cutoff:3.500A) removed outlier: 6.225A pdb=" N PHE4A 31 " --> pdb=" O VAL4A 123 " (cutoff:3.500A) removed outlier: 7.165A pdb=" N THR4A 125 " --> pdb=" O PHE4A 31 " (cutoff:3.500A) removed outlier: 7.339A pdb=" N GLY4A 33 " --> pdb=" O THR4A 125 " (cutoff:3.500A) removed outlier: 6.797A pdb=" N VAL4A 127 " --> pdb=" O GLY4A 33 " (cutoff:3.500A) removed outlier: 5.810A pdb=" N THR4A 35 " --> pdb=" O VAL4A 127 " (cutoff:3.500A) removed outlier: 6.302A pdb=" N ALA4A 30 " --> pdb=" O LEU4A 162 " (cutoff:3.500A) removed outlier: 3.730A pdb=" N ILE4A 195 " --> pdb=" O LEU4A 161 " (cutoff:3.500A) removed outlier: 9.093A pdb=" N ASN4A 559 " --> pdb=" O GLY4A 231 " (cutoff:3.500A) removed outlier: 6.748A pdb=" N ALA4A 233 " --> pdb=" O ASN4A 559 " (cutoff:3.500A) removed outlier: 7.937A pdb=" N ILE4A 561 " --> pdb=" O ALA4A 233 " (cutoff:3.500A) removed outlier: 7.139A pdb=" N TYR4A 235 " --> pdb=" O ILE4A 561 " (cutoff:3.500A) removed outlier: 9.270A pdb=" N SER4A 563 " --> pdb=" O TYR4A 235 " (cutoff:3.500A) removed outlier: 3.643A pdb=" N ALA4A 560 " --> pdb=" O TRP4A 572 " (cutoff:3.500A) removed outlier: 4.017A pdb=" N ILE4A 529 " --> pdb=" O VAL4A 571 " (cutoff:3.500A) Processing sheet with id=AE2, first strand: chain '4A' and resid 87 through 93 removed outlier: 6.796A pdb=" N VAL4A 77 " --> pdb=" O GLN4A 254 " (cutoff:3.500A) removed outlier: 8.140A pdb=" N LEU4A 256 " --> pdb=" O VAL4A 77 " (cutoff:3.500A) removed outlier: 6.403A pdb=" N LEU4A 79 " --> pdb=" O LEU4A 256 " (cutoff:3.500A) Processing sheet with id=AE3, first strand: chain '4A' and resid 204 through 205 Processing sheet with id=AE4, first strand: chain '4A' and resid 502 through 503 removed outlier: 7.215A pdb=" N GLN4A 239 " --> pdb=" O SER4A 535 " (cutoff:3.500A) Processing sheet with id=AE5, first strand: chain '4A' and resid 646 through 649 removed outlier: 6.631A pdb=" N ILE5A 681 " --> pdb=" O TYR5B 10 " (cutoff:3.500A) removed outlier: 7.734A pdb=" N GLU5B 12 " --> pdb=" O ILE5A 681 " (cutoff:3.500A) removed outlier: 6.337A pdb=" N LEU5A 683 " --> pdb=" O GLU5B 12 " (cutoff:3.500A) Processing sheet with id=AE6, first strand: chain '4B' and resid 54 through 56 removed outlier: 7.869A pdb=" N VAL4B 123 " --> pdb=" O PRO4B 29 " (cutoff:3.500A) removed outlier: 6.223A pdb=" N PHE4B 31 " --> pdb=" O VAL4B 123 " (cutoff:3.500A) removed outlier: 7.164A pdb=" N THR4B 125 " --> pdb=" O PHE4B 31 " (cutoff:3.500A) removed outlier: 7.341A pdb=" N GLY4B 33 " --> pdb=" O THR4B 125 " (cutoff:3.500A) removed outlier: 6.798A pdb=" N VAL4B 127 " --> pdb=" O GLY4B 33 " (cutoff:3.500A) removed outlier: 5.810A pdb=" N THR4B 35 " --> pdb=" O VAL4B 127 " (cutoff:3.500A) removed outlier: 6.303A pdb=" N ALA4B 30 " --> pdb=" O LEU4B 162 " (cutoff:3.500A) removed outlier: 3.730A pdb=" N ILE4B 195 " --> pdb=" O LEU4B 161 " (cutoff:3.500A) removed outlier: 9.093A pdb=" N ASN4B 559 " --> pdb=" O GLY4B 231 " (cutoff:3.500A) removed outlier: 6.748A pdb=" N ALA4B 233 " --> pdb=" O ASN4B 559 " (cutoff:3.500A) removed outlier: 7.937A pdb=" N ILE4B 561 " --> pdb=" O ALA4B 233 " (cutoff:3.500A) removed outlier: 7.139A pdb=" N TYR4B 235 " --> pdb=" O ILE4B 561 " (cutoff:3.500A) removed outlier: 9.269A pdb=" N SER4B 563 " --> pdb=" O TYR4B 235 " (cutoff:3.500A) removed outlier: 3.643A pdb=" N ALA4B 560 " --> pdb=" O TRP4B 572 " (cutoff:3.500A) removed outlier: 4.017A pdb=" N ILE4B 529 " --> pdb=" O VAL4B 571 " (cutoff:3.500A) Processing sheet with id=AE7, first strand: chain '4B' and resid 87 through 93 removed outlier: 6.796A pdb=" N VAL4B 77 " --> pdb=" O GLN4B 254 " (cutoff:3.500A) removed outlier: 8.140A pdb=" N LEU4B 256 " --> pdb=" O VAL4B 77 " (cutoff:3.500A) removed outlier: 6.403A pdb=" N LEU4B 79 " --> pdb=" O LEU4B 256 " (cutoff:3.500A) Processing sheet with id=AE8, first strand: chain '4B' and resid 204 through 205 Processing sheet with id=AE9, first strand: chain '4B' and resid 502 through 503 removed outlier: 7.215A pdb=" N GLN4B 239 " --> pdb=" O SER4B 535 " (cutoff:3.500A) Processing sheet with id=AF1, first strand: chain '4B' and resid 646 through 649 removed outlier: 6.631A pdb=" N ILE5B 681 " --> pdb=" O TYR5C 10 " (cutoff:3.500A) removed outlier: 7.732A pdb=" N GLU5C 12 " --> pdb=" O ILE5B 681 " (cutoff:3.500A) removed outlier: 6.338A pdb=" N LEU5B 683 " --> pdb=" O GLU5C 12 " (cutoff:3.500A) Processing sheet with id=AF2, first strand: chain '4C' and resid 54 through 56 removed outlier: 7.869A pdb=" N VAL4C 123 " --> pdb=" O PRO4C 29 " (cutoff:3.500A) removed outlier: 6.225A pdb=" N PHE4C 31 " --> pdb=" O VAL4C 123 " (cutoff:3.500A) removed outlier: 7.164A pdb=" N THR4C 125 " --> pdb=" O PHE4C 31 " (cutoff:3.500A) removed outlier: 7.340A pdb=" N GLY4C 33 " --> pdb=" O THR4C 125 " (cutoff:3.500A) removed outlier: 6.797A pdb=" N VAL4C 127 " --> pdb=" O GLY4C 33 " (cutoff:3.500A) removed outlier: 5.811A pdb=" N THR4C 35 " --> pdb=" O VAL4C 127 " (cutoff:3.500A) removed outlier: 6.304A pdb=" N ALA4C 30 " --> pdb=" O LEU4C 162 " (cutoff:3.500A) removed outlier: 3.732A pdb=" N ILE4C 195 " --> pdb=" O LEU4C 161 " (cutoff:3.500A) removed outlier: 9.092A pdb=" N ASN4C 559 " --> pdb=" O GLY4C 231 " (cutoff:3.500A) removed outlier: 6.747A pdb=" N ALA4C 233 " --> pdb=" O ASN4C 559 " (cutoff:3.500A) removed outlier: 7.937A pdb=" N ILE4C 561 " --> pdb=" O ALA4C 233 " (cutoff:3.500A) removed outlier: 7.138A pdb=" N TYR4C 235 " --> pdb=" O ILE4C 561 " (cutoff:3.500A) removed outlier: 9.269A pdb=" N SER4C 563 " --> pdb=" O TYR4C 235 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N ALA4C 560 " --> pdb=" O TRP4C 572 " (cutoff:3.500A) removed outlier: 4.017A pdb=" N ILE4C 529 " --> pdb=" O VAL4C 571 " (cutoff:3.500A) Processing sheet with id=AF3, first strand: chain '4C' and resid 87 through 93 removed outlier: 6.798A pdb=" N VAL4C 77 " --> pdb=" O GLN4C 254 " (cutoff:3.500A) removed outlier: 8.140A pdb=" N LEU4C 256 " --> pdb=" O VAL4C 77 " (cutoff:3.500A) removed outlier: 6.405A pdb=" N LEU4C 79 " --> pdb=" O LEU4C 256 " (cutoff:3.500A) Processing sheet with id=AF4, first strand: chain '4C' and resid 204 through 205 Processing sheet with id=AF5, first strand: chain '4C' and resid 502 through 503 removed outlier: 7.215A pdb=" N GLN4C 239 " --> pdb=" O SER4C 535 " (cutoff:3.500A) Processing sheet with id=AF6, first strand: chain '4C' and resid 646 through 649 removed outlier: 6.631A pdb=" N ILE5C 681 " --> pdb=" O TYR5D 10 " (cutoff:3.500A) removed outlier: 7.732A pdb=" N GLU5D 12 " --> pdb=" O ILE5C 681 " (cutoff:3.500A) removed outlier: 6.338A pdb=" N LEU5C 683 " --> pdb=" O GLU5D 12 " (cutoff:3.500A) Processing sheet with id=AF7, first strand: chain '4D' and resid 54 through 56 removed outlier: 7.869A pdb=" N VAL4D 123 " --> pdb=" O PRO4D 29 " (cutoff:3.500A) removed outlier: 6.224A pdb=" N PHE4D 31 " --> pdb=" O VAL4D 123 " (cutoff:3.500A) removed outlier: 7.164A pdb=" N THR4D 125 " --> pdb=" O PHE4D 31 " (cutoff:3.500A) removed outlier: 7.339A pdb=" N GLY4D 33 " --> pdb=" O THR4D 125 " (cutoff:3.500A) removed outlier: 6.797A pdb=" N VAL4D 127 " --> pdb=" O GLY4D 33 " (cutoff:3.500A) removed outlier: 5.810A pdb=" N THR4D 35 " --> pdb=" O VAL4D 127 " (cutoff:3.500A) removed outlier: 6.303A pdb=" N ALA4D 30 " --> pdb=" O LEU4D 162 " (cutoff:3.500A) removed outlier: 3.730A pdb=" N ILE4D 195 " --> pdb=" O LEU4D 161 " (cutoff:3.500A) removed outlier: 9.091A pdb=" N ASN4D 559 " --> pdb=" O GLY4D 231 " (cutoff:3.500A) removed outlier: 6.748A pdb=" N ALA4D 233 " --> pdb=" O ASN4D 559 " (cutoff:3.500A) removed outlier: 7.937A pdb=" N ILE4D 561 " --> pdb=" O ALA4D 233 " (cutoff:3.500A) removed outlier: 7.138A pdb=" N TYR4D 235 " --> pdb=" O ILE4D 561 " (cutoff:3.500A) removed outlier: 9.270A pdb=" N SER4D 563 " --> pdb=" O TYR4D 235 " (cutoff:3.500A) removed outlier: 3.643A pdb=" N ALA4D 560 " --> pdb=" O TRP4D 572 " (cutoff:3.500A) removed outlier: 4.017A pdb=" N ILE4D 529 " --> pdb=" O VAL4D 571 " (cutoff:3.500A) Processing sheet with id=AF8, first strand: chain '4D' and resid 87 through 93 removed outlier: 6.796A pdb=" N VAL4D 77 " --> pdb=" O GLN4D 254 " (cutoff:3.500A) removed outlier: 8.139A pdb=" N LEU4D 256 " --> pdb=" O VAL4D 77 " (cutoff:3.500A) removed outlier: 6.404A pdb=" N LEU4D 79 " --> pdb=" O LEU4D 256 " (cutoff:3.500A) Processing sheet with id=AF9, first strand: chain '4D' and resid 204 through 205 Processing sheet with id=AG1, first strand: chain '4D' and resid 502 through 503 removed outlier: 7.215A pdb=" N GLN4D 239 " --> pdb=" O SER4D 535 " (cutoff:3.500A) Processing sheet with id=AG2, first strand: chain '4D' and resid 646 through 649 removed outlier: 6.631A pdb=" N ILE5D 681 " --> pdb=" O TYR5E 10 " (cutoff:3.500A) removed outlier: 7.733A pdb=" N GLU5E 12 " --> pdb=" O ILE5D 681 " (cutoff:3.500A) removed outlier: 6.337A pdb=" N LEU5D 683 " --> pdb=" O GLU5E 12 " (cutoff:3.500A) Processing sheet with id=AG3, first strand: chain '4E' and resid 54 through 56 removed outlier: 7.870A pdb=" N VAL4E 123 " --> pdb=" O PRO4E 29 " (cutoff:3.500A) removed outlier: 6.225A pdb=" N PHE4E 31 " --> pdb=" O VAL4E 123 " (cutoff:3.500A) removed outlier: 7.165A pdb=" N THR4E 125 " --> pdb=" O PHE4E 31 " (cutoff:3.500A) removed outlier: 7.340A pdb=" N GLY4E 33 " --> pdb=" O THR4E 125 " (cutoff:3.500A) removed outlier: 6.798A pdb=" N VAL4E 127 " --> pdb=" O GLY4E 33 " (cutoff:3.500A) removed outlier: 5.810A pdb=" N THR4E 35 " --> pdb=" O VAL4E 127 " (cutoff:3.500A) removed outlier: 6.303A pdb=" N ALA4E 30 " --> pdb=" O LEU4E 162 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N ILE4E 195 " --> pdb=" O LEU4E 161 " (cutoff:3.500A) removed outlier: 9.092A pdb=" N ASN4E 559 " --> pdb=" O GLY4E 231 " (cutoff:3.500A) removed outlier: 6.747A pdb=" N ALA4E 233 " --> pdb=" O ASN4E 559 " (cutoff:3.500A) removed outlier: 7.936A pdb=" N ILE4E 561 " --> pdb=" O ALA4E 233 " (cutoff:3.500A) removed outlier: 7.140A pdb=" N TYR4E 235 " --> pdb=" O ILE4E 561 " (cutoff:3.500A) removed outlier: 9.270A pdb=" N SER4E 563 " --> pdb=" O TYR4E 235 " (cutoff:3.500A) removed outlier: 3.643A pdb=" N ALA4E 560 " --> pdb=" O TRP4E 572 " (cutoff:3.500A) removed outlier: 4.018A pdb=" N ILE4E 529 " --> pdb=" O VAL4E 571 " (cutoff:3.500A) Processing sheet with id=AG4, first strand: chain '4E' and resid 87 through 93 removed outlier: 6.796A pdb=" N VAL4E 77 " --> pdb=" O GLN4E 254 " (cutoff:3.500A) removed outlier: 8.140A pdb=" N LEU4E 256 " --> pdb=" O VAL4E 77 " (cutoff:3.500A) removed outlier: 6.404A pdb=" N LEU4E 79 " --> pdb=" O LEU4E 256 " (cutoff:3.500A) Processing sheet with id=AG5, first strand: chain '4E' and resid 204 through 205 Processing sheet with id=AG6, first strand: chain '4E' and resid 502 through 503 removed outlier: 7.215A pdb=" N GLN4E 239 " --> pdb=" O SER4E 535 " (cutoff:3.500A) Processing sheet with id=AG7, first strand: chain '4E' and resid 646 through 649 removed outlier: 6.632A pdb=" N ILE5E 681 " --> pdb=" O TYR5F 10 " (cutoff:3.500A) removed outlier: 7.733A pdb=" N GLU5F 12 " --> pdb=" O ILE5E 681 " (cutoff:3.500A) removed outlier: 6.339A pdb=" N LEU5E 683 " --> pdb=" O GLU5F 12 " (cutoff:3.500A) Processing sheet with id=AG8, first strand: chain '4F' and resid 54 through 56 removed outlier: 7.869A pdb=" N VAL4F 123 " --> pdb=" O PRO4F 29 " (cutoff:3.500A) removed outlier: 6.225A pdb=" N PHE4F 31 " --> pdb=" O VAL4F 123 " (cutoff:3.500A) removed outlier: 7.164A pdb=" N THR4F 125 " --> pdb=" O PHE4F 31 " (cutoff:3.500A) removed outlier: 7.340A pdb=" N GLY4F 33 " --> pdb=" O THR4F 125 " (cutoff:3.500A) removed outlier: 6.797A pdb=" N VAL4F 127 " --> pdb=" O GLY4F 33 " (cutoff:3.500A) removed outlier: 5.810A pdb=" N THR4F 35 " --> pdb=" O VAL4F 127 " (cutoff:3.500A) removed outlier: 6.303A pdb=" N ALA4F 30 " --> pdb=" O LEU4F 162 " (cutoff:3.500A) removed outlier: 3.729A pdb=" N ILE4F 195 " --> pdb=" O LEU4F 161 " (cutoff:3.500A) removed outlier: 9.092A pdb=" N ASN4F 559 " --> pdb=" O GLY4F 231 " (cutoff:3.500A) removed outlier: 6.749A pdb=" N ALA4F 233 " --> pdb=" O ASN4F 559 " (cutoff:3.500A) removed outlier: 7.937A pdb=" N ILE4F 561 " --> pdb=" O ALA4F 233 " (cutoff:3.500A) removed outlier: 7.139A pdb=" N TYR4F 235 " --> pdb=" O ILE4F 561 " (cutoff:3.500A) removed outlier: 9.270A pdb=" N SER4F 563 " --> pdb=" O TYR4F 235 " (cutoff:3.500A) removed outlier: 3.643A pdb=" N ALA4F 560 " --> pdb=" O TRP4F 572 " (cutoff:3.500A) removed outlier: 4.018A pdb=" N ILE4F 529 " --> pdb=" O VAL4F 571 " (cutoff:3.500A) Processing sheet with id=AG9, first strand: chain '4F' and resid 87 through 93 removed outlier: 6.796A pdb=" N VAL4F 77 " --> pdb=" O GLN4F 254 " (cutoff:3.500A) removed outlier: 8.139A pdb=" N LEU4F 256 " --> pdb=" O VAL4F 77 " (cutoff:3.500A) removed outlier: 6.403A pdb=" N LEU4F 79 " --> pdb=" O LEU4F 256 " (cutoff:3.500A) Processing sheet with id=AH1, first strand: chain '4F' and resid 204 through 205 Processing sheet with id=AH2, first strand: chain '4F' and resid 502 through 503 removed outlier: 7.215A pdb=" N GLN4F 239 " --> pdb=" O SER4F 535 " (cutoff:3.500A) Processing sheet with id=AH3, first strand: chain '4F' and resid 646 through 649 Processing sheet with id=AH4, first strand: chain '5A' and resid 54 through 56 removed outlier: 7.869A pdb=" N VAL5A 123 " --> pdb=" O PRO5A 29 " (cutoff:3.500A) removed outlier: 6.224A pdb=" N PHE5A 31 " --> pdb=" O VAL5A 123 " (cutoff:3.500A) removed outlier: 7.165A pdb=" N THR5A 125 " --> pdb=" O PHE5A 31 " (cutoff:3.500A) removed outlier: 7.339A pdb=" N GLY5A 33 " --> pdb=" O THR5A 125 " (cutoff:3.500A) removed outlier: 6.798A pdb=" N VAL5A 127 " --> pdb=" O GLY5A 33 " (cutoff:3.500A) removed outlier: 5.811A pdb=" N THR5A 35 " --> pdb=" O VAL5A 127 " (cutoff:3.500A) removed outlier: 6.303A pdb=" N ALA5A 30 " --> pdb=" O LEU5A 162 " (cutoff:3.500A) removed outlier: 3.730A pdb=" N ILE5A 195 " --> pdb=" O LEU5A 161 " (cutoff:3.500A) removed outlier: 9.092A pdb=" N ASN5A 559 " --> pdb=" O GLY5A 231 " (cutoff:3.500A) removed outlier: 6.747A pdb=" N ALA5A 233 " --> pdb=" O ASN5A 559 " (cutoff:3.500A) removed outlier: 7.937A pdb=" N ILE5A 561 " --> pdb=" O ALA5A 233 " (cutoff:3.500A) removed outlier: 7.139A pdb=" N TYR5A 235 " --> pdb=" O ILE5A 561 " (cutoff:3.500A) removed outlier: 9.271A pdb=" N SER5A 563 " --> pdb=" O TYR5A 235 " (cutoff:3.500A) removed outlier: 3.643A pdb=" N ALA5A 560 " --> pdb=" O TRP5A 572 " (cutoff:3.500A) removed outlier: 4.017A pdb=" N ILE5A 529 " --> pdb=" O VAL5A 571 " (cutoff:3.500A) Processing sheet with id=AH5, first strand: chain '5A' and resid 87 through 93 removed outlier: 6.797A pdb=" N VAL5A 77 " --> pdb=" O GLN5A 254 " (cutoff:3.500A) removed outlier: 8.140A pdb=" N LEU5A 256 " --> pdb=" O VAL5A 77 " (cutoff:3.500A) removed outlier: 6.404A pdb=" N LEU5A 79 " --> pdb=" O LEU5A 256 " (cutoff:3.500A) Processing sheet with id=AH6, first strand: chain '5A' and resid 204 through 205 Processing sheet with id=AH7, first strand: chain '5A' and resid 502 through 503 removed outlier: 7.215A pdb=" N GLN5A 239 " --> pdb=" O SER5A 535 " (cutoff:3.500A) Processing sheet with id=AH8, first strand: chain '5A' and resid 646 through 649 Processing sheet with id=AH9, first strand: chain '5B' and resid 54 through 56 removed outlier: 7.869A pdb=" N VAL5B 123 " --> pdb=" O PRO5B 29 " (cutoff:3.500A) removed outlier: 6.224A pdb=" N PHE5B 31 " --> pdb=" O VAL5B 123 " (cutoff:3.500A) removed outlier: 7.165A pdb=" N THR5B 125 " --> pdb=" O PHE5B 31 " (cutoff:3.500A) removed outlier: 7.339A pdb=" N GLY5B 33 " --> pdb=" O THR5B 125 " (cutoff:3.500A) removed outlier: 6.797A pdb=" N VAL5B 127 " --> pdb=" O GLY5B 33 " (cutoff:3.500A) removed outlier: 5.810A pdb=" N THR5B 35 " --> pdb=" O VAL5B 127 " (cutoff:3.500A) removed outlier: 6.302A pdb=" N ALA5B 30 " --> pdb=" O LEU5B 162 " (cutoff:3.500A) removed outlier: 3.730A pdb=" N ILE5B 195 " --> pdb=" O LEU5B 161 " (cutoff:3.500A) removed outlier: 9.092A pdb=" N ASN5B 559 " --> pdb=" O GLY5B 231 " (cutoff:3.500A) removed outlier: 6.748A pdb=" N ALA5B 233 " --> pdb=" O ASN5B 559 " (cutoff:3.500A) removed outlier: 7.938A pdb=" N ILE5B 561 " --> pdb=" O ALA5B 233 " (cutoff:3.500A) removed outlier: 7.139A pdb=" N TYR5B 235 " --> pdb=" O ILE5B 561 " (cutoff:3.500A) removed outlier: 9.270A pdb=" N SER5B 563 " --> pdb=" O TYR5B 235 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N ALA5B 560 " --> pdb=" O TRP5B 572 " (cutoff:3.500A) removed outlier: 4.017A pdb=" N ILE5B 529 " --> pdb=" O VAL5B 571 " (cutoff:3.500A) Processing sheet with id=AI1, first strand: chain '5B' and resid 87 through 93 removed outlier: 6.797A pdb=" N VAL5B 77 " --> pdb=" O GLN5B 254 " (cutoff:3.500A) removed outlier: 8.140A pdb=" N LEU5B 256 " --> pdb=" O VAL5B 77 " (cutoff:3.500A) removed outlier: 6.405A pdb=" N LEU5B 79 " --> pdb=" O LEU5B 256 " (cutoff:3.500A) Processing sheet with id=AI2, first strand: chain '5B' and resid 204 through 205 Processing sheet with id=AI3, first strand: chain '5B' and resid 502 through 503 removed outlier: 7.216A pdb=" N GLN5B 239 " --> pdb=" O SER5B 535 " (cutoff:3.500A) Processing sheet with id=AI4, first strand: chain '5B' and resid 646 through 649 Processing sheet with id=AI5, first strand: chain '5C' and resid 54 through 56 removed outlier: 7.869A pdb=" N VAL5C 123 " --> pdb=" O PRO5C 29 " (cutoff:3.500A) removed outlier: 6.225A pdb=" N PHE5C 31 " --> pdb=" O VAL5C 123 " (cutoff:3.500A) removed outlier: 7.165A pdb=" N THR5C 125 " --> pdb=" O PHE5C 31 " (cutoff:3.500A) removed outlier: 7.339A pdb=" N GLY5C 33 " --> pdb=" O THR5C 125 " (cutoff:3.500A) removed outlier: 6.798A pdb=" N VAL5C 127 " --> pdb=" O GLY5C 33 " (cutoff:3.500A) removed outlier: 5.811A pdb=" N THR5C 35 " --> pdb=" O VAL5C 127 " (cutoff:3.500A) removed outlier: 6.302A pdb=" N ALA5C 30 " --> pdb=" O LEU5C 162 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N ILE5C 195 " --> pdb=" O LEU5C 161 " (cutoff:3.500A) removed outlier: 9.092A pdb=" N ASN5C 559 " --> pdb=" O GLY5C 231 " (cutoff:3.500A) removed outlier: 6.747A pdb=" N ALA5C 233 " --> pdb=" O ASN5C 559 " (cutoff:3.500A) removed outlier: 7.937A pdb=" N ILE5C 561 " --> pdb=" O ALA5C 233 " (cutoff:3.500A) removed outlier: 7.139A pdb=" N TYR5C 235 " --> pdb=" O ILE5C 561 " (cutoff:3.500A) removed outlier: 9.270A pdb=" N SER5C 563 " --> pdb=" O TYR5C 235 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N ALA5C 560 " --> pdb=" O TRP5C 572 " (cutoff:3.500A) removed outlier: 4.018A pdb=" N ILE5C 529 " --> pdb=" O VAL5C 571 " (cutoff:3.500A) Processing sheet with id=AI6, first strand: chain '5C' and resid 87 through 93 removed outlier: 6.796A pdb=" N VAL5C 77 " --> pdb=" O GLN5C 254 " (cutoff:3.500A) removed outlier: 8.139A pdb=" N LEU5C 256 " --> pdb=" O VAL5C 77 " (cutoff:3.500A) removed outlier: 6.404A pdb=" N LEU5C 79 " --> pdb=" O LEU5C 256 " (cutoff:3.500A) Processing sheet with id=AI7, first strand: chain '5C' and resid 204 through 205 Processing sheet with id=AI8, first strand: chain '5C' and resid 502 through 503 removed outlier: 7.215A pdb=" N GLN5C 239 " --> pdb=" O SER5C 535 " (cutoff:3.500A) Processing sheet with id=AI9, first strand: chain '5C' and resid 646 through 649 Processing sheet with id=AJ1, first strand: chain '5D' and resid 54 through 56 removed outlier: 7.869A pdb=" N VAL5D 123 " --> pdb=" O PRO5D 29 " (cutoff:3.500A) removed outlier: 6.224A pdb=" N PHE5D 31 " --> pdb=" O VAL5D 123 " (cutoff:3.500A) removed outlier: 7.164A pdb=" N THR5D 125 " --> pdb=" O PHE5D 31 " (cutoff:3.500A) removed outlier: 7.340A pdb=" N GLY5D 33 " --> pdb=" O THR5D 125 " (cutoff:3.500A) removed outlier: 6.797A pdb=" N VAL5D 127 " --> pdb=" O GLY5D 33 " (cutoff:3.500A) removed outlier: 5.810A pdb=" N THR5D 35 " --> pdb=" O VAL5D 127 " (cutoff:3.500A) removed outlier: 6.303A pdb=" N ALA5D 30 " --> pdb=" O LEU5D 162 " (cutoff:3.500A) removed outlier: 3.729A pdb=" N ILE5D 195 " --> pdb=" O LEU5D 161 " (cutoff:3.500A) removed outlier: 9.091A pdb=" N ASN5D 559 " --> pdb=" O GLY5D 231 " (cutoff:3.500A) removed outlier: 6.747A pdb=" N ALA5D 233 " --> pdb=" O ASN5D 559 " (cutoff:3.500A) removed outlier: 7.938A pdb=" N ILE5D 561 " --> pdb=" O ALA5D 233 " (cutoff:3.500A) removed outlier: 7.139A pdb=" N TYR5D 235 " --> pdb=" O ILE5D 561 " (cutoff:3.500A) removed outlier: 9.270A pdb=" N SER5D 563 " --> pdb=" O TYR5D 235 " (cutoff:3.500A) removed outlier: 3.643A pdb=" N ALA5D 560 " --> pdb=" O TRP5D 572 " (cutoff:3.500A) removed outlier: 4.017A pdb=" N ILE5D 529 " --> pdb=" O VAL5D 571 " (cutoff:3.500A) Processing sheet with id=AJ2, first strand: chain '5D' and resid 87 through 93 removed outlier: 6.796A pdb=" N VAL5D 77 " --> pdb=" O GLN5D 254 " (cutoff:3.500A) removed outlier: 8.139A pdb=" N LEU5D 256 " --> pdb=" O VAL5D 77 " (cutoff:3.500A) removed outlier: 6.404A pdb=" N LEU5D 79 " --> pdb=" O LEU5D 256 " (cutoff:3.500A) Processing sheet with id=AJ3, first strand: chain '5D' and resid 204 through 205 Processing sheet with id=AJ4, first strand: chain '5D' and resid 502 through 503 removed outlier: 7.215A pdb=" N GLN5D 239 " --> pdb=" O SER5D 535 " (cutoff:3.500A) Processing sheet with id=AJ5, first strand: chain '5D' and resid 646 through 649 Processing sheet with id=AJ6, first strand: chain '5E' and resid 54 through 56 removed outlier: 7.869A pdb=" N VAL5E 123 " --> pdb=" O PRO5E 29 " (cutoff:3.500A) removed outlier: 6.224A pdb=" N PHE5E 31 " --> pdb=" O VAL5E 123 " (cutoff:3.500A) removed outlier: 7.164A pdb=" N THR5E 125 " --> pdb=" O PHE5E 31 " (cutoff:3.500A) removed outlier: 7.341A pdb=" N GLY5E 33 " --> pdb=" O THR5E 125 " (cutoff:3.500A) removed outlier: 6.798A pdb=" N VAL5E 127 " --> pdb=" O GLY5E 33 " (cutoff:3.500A) removed outlier: 5.810A pdb=" N THR5E 35 " --> pdb=" O VAL5E 127 " (cutoff:3.500A) removed outlier: 6.304A pdb=" N ALA5E 30 " --> pdb=" O LEU5E 162 " (cutoff:3.500A) removed outlier: 3.730A pdb=" N ILE5E 195 " --> pdb=" O LEU5E 161 " (cutoff:3.500A) removed outlier: 9.092A pdb=" N ASN5E 559 " --> pdb=" O GLY5E 231 " (cutoff:3.500A) removed outlier: 6.747A pdb=" N ALA5E 233 " --> pdb=" O ASN5E 559 " (cutoff:3.500A) removed outlier: 7.937A pdb=" N ILE5E 561 " --> pdb=" O ALA5E 233 " (cutoff:3.500A) removed outlier: 7.138A pdb=" N TYR5E 235 " --> pdb=" O ILE5E 561 " (cutoff:3.500A) removed outlier: 9.270A pdb=" N SER5E 563 " --> pdb=" O TYR5E 235 " (cutoff:3.500A) removed outlier: 3.643A pdb=" N ALA5E 560 " --> pdb=" O TRP5E 572 " (cutoff:3.500A) removed outlier: 4.017A pdb=" N ILE5E 529 " --> pdb=" O VAL5E 571 " (cutoff:3.500A) Processing sheet with id=AJ7, first strand: chain '5E' and resid 87 through 93 removed outlier: 6.796A pdb=" N VAL5E 77 " --> pdb=" O GLN5E 254 " (cutoff:3.500A) removed outlier: 8.141A pdb=" N LEU5E 256 " --> pdb=" O VAL5E 77 " (cutoff:3.500A) removed outlier: 6.405A pdb=" N LEU5E 79 " --> pdb=" O LEU5E 256 " (cutoff:3.500A) Processing sheet with id=AJ8, first strand: chain '5E' and resid 204 through 205 Processing sheet with id=AJ9, first strand: chain '5E' and resid 502 through 503 removed outlier: 7.214A pdb=" N GLN5E 239 " --> pdb=" O SER5E 535 " (cutoff:3.500A) Processing sheet with id=AK1, first strand: chain '5E' and resid 646 through 649 Processing sheet with id=AK2, first strand: chain '5F' and resid 54 through 56 removed outlier: 7.868A pdb=" N VAL5F 123 " --> pdb=" O PRO5F 29 " (cutoff:3.500A) removed outlier: 6.225A pdb=" N PHE5F 31 " --> pdb=" O VAL5F 123 " (cutoff:3.500A) removed outlier: 7.165A pdb=" N THR5F 125 " --> pdb=" O PHE5F 31 " (cutoff:3.500A) removed outlier: 7.340A pdb=" N GLY5F 33 " --> pdb=" O THR5F 125 " (cutoff:3.500A) removed outlier: 6.798A pdb=" N VAL5F 127 " --> pdb=" O GLY5F 33 " (cutoff:3.500A) removed outlier: 5.811A pdb=" N THR5F 35 " --> pdb=" O VAL5F 127 " (cutoff:3.500A) removed outlier: 6.303A pdb=" N ALA5F 30 " --> pdb=" O LEU5F 162 " (cutoff:3.500A) removed outlier: 3.730A pdb=" N ILE5F 195 " --> pdb=" O LEU5F 161 " (cutoff:3.500A) removed outlier: 9.093A pdb=" N ASN5F 559 " --> pdb=" O GLY5F 231 " (cutoff:3.500A) removed outlier: 6.749A pdb=" N ALA5F 233 " --> pdb=" O ASN5F 559 " (cutoff:3.500A) removed outlier: 7.937A pdb=" N ILE5F 561 " --> pdb=" O ALA5F 233 " (cutoff:3.500A) removed outlier: 7.139A pdb=" N TYR5F 235 " --> pdb=" O ILE5F 561 " (cutoff:3.500A) removed outlier: 9.270A pdb=" N SER5F 563 " --> pdb=" O TYR5F 235 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N ALA5F 560 " --> pdb=" O TRP5F 572 " (cutoff:3.500A) removed outlier: 4.018A pdb=" N ILE5F 529 " --> pdb=" O VAL5F 571 " (cutoff:3.500A) Processing sheet with id=AK3, first strand: chain '5F' and resid 87 through 93 removed outlier: 6.796A pdb=" N VAL5F 77 " --> pdb=" O GLN5F 254 " (cutoff:3.500A) removed outlier: 8.140A pdb=" N LEU5F 256 " --> pdb=" O VAL5F 77 " (cutoff:3.500A) removed outlier: 6.404A pdb=" N LEU5F 79 " --> pdb=" O LEU5F 256 " (cutoff:3.500A) Processing sheet with id=AK4, first strand: chain '5F' and resid 204 through 205 Processing sheet with id=AK5, first strand: chain '5F' and resid 502 through 503 removed outlier: 7.215A pdb=" N GLN5F 239 " --> pdb=" O SER5F 535 " (cutoff:3.500A) Processing sheet with id=AK6, first strand: chain '5F' and resid 646 through 649 3609 hydrogen bonds defined for protein. 10269 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: 57.28 Time building geometry restraints manager: 28.76 seconds NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Histogram of bond lengths: 1.20 - 1.33: 17812 1.33 - 1.45: 21986 1.45 - 1.57: 52686 1.57 - 1.69: 0 1.69 - 1.81: 396 Bond restraints: 92880 Sorted by residual: bond pdb=" N ILE4C 75 " pdb=" CA ILE4C 75 " ideal model delta sigma weight residual 1.459 1.496 -0.037 1.27e-02 6.20e+03 8.50e+00 bond pdb=" N ILE5C 75 " pdb=" CA ILE5C 75 " ideal model delta sigma weight residual 1.459 1.496 -0.037 1.27e-02 6.20e+03 8.45e+00 bond pdb=" N ILE3E 75 " pdb=" CA ILE3E 75 " ideal model delta sigma weight residual 1.459 1.496 -0.037 1.27e-02 6.20e+03 8.38e+00 bond pdb=" N ILE4E 75 " pdb=" CA ILE4E 75 " ideal model delta sigma weight residual 1.459 1.496 -0.037 1.27e-02 6.20e+03 8.38e+00 bond pdb=" N ILE5F 75 " pdb=" CA ILE5F 75 " ideal model delta sigma weight residual 1.459 1.495 -0.037 1.27e-02 6.20e+03 8.29e+00 ... (remaining 92875 not shown) Histogram of bond angle deviations from ideal: 100.14 - 107.20: 2638 107.20 - 114.25: 52237 114.25 - 121.31: 47972 121.31 - 128.36: 23207 128.36 - 135.41: 450 Bond angle restraints: 126504 Sorted by residual: angle pdb=" C LEU4C 189 " pdb=" N GLN4C 190 " pdb=" CA GLN4C 190 " ideal model delta sigma weight residual 122.07 129.11 -7.04 1.43e+00 4.89e-01 2.42e+01 angle pdb=" C LEU4E 189 " pdb=" N GLN4E 190 " pdb=" CA GLN4E 190 " ideal model delta sigma weight residual 122.07 129.10 -7.03 1.43e+00 4.89e-01 2.41e+01 angle pdb=" C LEU4D 189 " pdb=" N GLN4D 190 " pdb=" CA GLN4D 190 " ideal model delta sigma weight residual 122.07 129.10 -7.03 1.43e+00 4.89e-01 2.41e+01 angle pdb=" C LEU4F 189 " pdb=" N GLN4F 190 " pdb=" CA GLN4F 190 " ideal model delta sigma weight residual 122.07 129.07 -7.00 1.43e+00 4.89e-01 2.39e+01 angle pdb=" C LEU4A 189 " pdb=" N GLN4A 190 " pdb=" CA GLN4A 190 " ideal model delta sigma weight residual 122.07 129.06 -6.99 1.43e+00 4.89e-01 2.39e+01 ... (remaining 126499 not shown) Histogram of dihedral angle deviations from ideal: 0.00 - 16.11: 50365 16.11 - 32.21: 4194 32.21 - 48.32: 935 48.32 - 64.43: 270 64.43 - 80.54: 126 Dihedral angle restraints: 55890 sinusoidal: 21330 harmonic: 34560 Sorted by residual: dihedral pdb=" CA LEU4E 419 " pdb=" C LEU4E 419 " pdb=" N ASN4E 420 " pdb=" CA ASN4E 420 " ideal model delta harmonic sigma weight residual -180.00 -155.01 -24.99 0 5.00e+00 4.00e-02 2.50e+01 dihedral pdb=" CA LEU5E 419 " pdb=" C LEU5E 419 " pdb=" N ASN5E 420 " pdb=" CA ASN5E 420 " ideal model delta harmonic sigma weight residual -180.00 -155.02 -24.98 0 5.00e+00 4.00e-02 2.50e+01 dihedral pdb=" CA LEU5D 419 " pdb=" C LEU5D 419 " pdb=" N ASN5D 420 " pdb=" CA ASN5D 420 " ideal model delta harmonic sigma weight residual -180.00 -155.03 -24.97 0 5.00e+00 4.00e-02 2.49e+01 ... (remaining 55887 not shown) Histogram of chiral volume deviations from ideal: 0.000 - 0.054: 11024 0.054 - 0.107: 2620 0.107 - 0.161: 798 0.161 - 0.215: 102 0.215 - 0.268: 36 Chirality restraints: 14580 Sorted by residual: chirality pdb=" CA PHE4F 37 " pdb=" N PHE4F 37 " pdb=" C PHE4F 37 " pdb=" CB PHE4F 37 " both_signs ideal model delta sigma weight residual False 2.51 2.24 0.27 2.00e-01 2.50e+01 1.80e+00 chirality pdb=" CA PHE5F 37 " pdb=" N PHE5F 37 " pdb=" C PHE5F 37 " pdb=" CB PHE5F 37 " both_signs ideal model delta sigma weight residual False 2.51 2.24 0.27 2.00e-01 2.50e+01 1.79e+00 chirality pdb=" CA PHE4E 37 " pdb=" N PHE4E 37 " pdb=" C PHE4E 37 " pdb=" CB PHE4E 37 " both_signs ideal model delta sigma weight residual False 2.51 2.24 0.27 2.00e-01 2.50e+01 1.78e+00 ... (remaining 14577 not shown) Planarity restraints: 16596 Sorted by residual: delta sigma weight rms_deltas residual plane pdb=" C PHE4E 163 " 0.037 5.00e-02 4.00e+02 5.58e-02 4.98e+00 pdb=" N PRO4E 164 " -0.096 5.00e-02 4.00e+02 pdb=" CA PRO4E 164 " 0.029 5.00e-02 4.00e+02 pdb=" CD PRO4E 164 " 0.031 5.00e-02 4.00e+02 delta sigma weight rms_deltas residual plane pdb=" C PHE5E 163 " 0.037 5.00e-02 4.00e+02 5.57e-02 4.97e+00 pdb=" N PRO5E 164 " -0.096 5.00e-02 4.00e+02 pdb=" CA PRO5E 164 " 0.029 5.00e-02 4.00e+02 pdb=" CD PRO5E 164 " 0.031 5.00e-02 4.00e+02 delta sigma weight rms_deltas residual plane pdb=" C PHE4D 163 " 0.037 5.00e-02 4.00e+02 5.56e-02 4.94e+00 pdb=" N PRO4D 164 " -0.096 5.00e-02 4.00e+02 pdb=" CA PRO4D 164 " 0.028 5.00e-02 4.00e+02 pdb=" CD PRO4D 164 " 0.031 5.00e-02 4.00e+02 ... (remaining 16593 not shown) Histogram of nonbonded interaction distances: 1.55 - 2.22: 12 2.22 - 2.89: 32289 2.89 - 3.56: 111245 3.56 - 4.23: 213771 4.23 - 4.90: 345619 Nonbonded interactions: 702936 Sorted by model distance: nonbonded pdb=" O VAL3A 608 " pdb=" O ALA4A 678 " model vdw 1.547 3.040 nonbonded pdb=" O VAL3E 608 " pdb=" O ALA4E 678 " model vdw 1.547 3.040 nonbonded pdb=" O VAL3D 608 " pdb=" O ALA4D 678 " model vdw 1.548 3.040 nonbonded pdb=" O VAL3F 608 " pdb=" O ALA4F 678 " model vdw 1.548 3.040 nonbonded pdb=" O VAL3B 608 " pdb=" O ALA4B 678 " model vdw 1.548 3.040 ... (remaining 702931 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 '3A' selection = chain '3B' selection = chain '3C' selection = chain '3D' selection = chain '3E' selection = chain '3F' selection = chain '4A' selection = chain '4B' selection = chain '4C' selection = chain '4D' selection = chain '4E' selection = chain '4F' selection = chain '5A' selection = chain '5B' selection = chain '5C' selection = chain '5D' selection = chain '5E' selection = chain '5F' } Set up NCS constraints No NCS constraints will be used in refinement. Set refine NCS operators Set scattering table Set to: electron Number of scattering types: 4 Type Number sf(0) Gaussians S 216 5.16 5 C 57726 2.51 5 N 14994 2.21 5 O 18180 1.98 5 sf(0) = scattering factor at diffraction angle 0. Adjust number of macro_cycles Number of macro_cycles: 10 Reset NCS operators Extract rigid body selections Check and reset occupancies Occupancies: min=1.00 max=1.00 mean=1.00 Load rotamer database and sin/cos tables Set ADP refinement strategy ADPs will be refined as individual isotropic Make a string to write initial .geo file Internal consistency checks Time: Set random seed: 0.000 Set model cs if undefined: 0.000 Decide on map wrapping: 0.000 Normalize map: mean=0, sd=1: 5.420 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: 0.060 Extract box with map and model: 26.640 Check model and map are aligned: 1.000 Convert atoms to be neutral: 0.610 Process input model: 201.330 Find NCS groups from input model: 5.130 Set up NCS constraints: 0.620 Set refine NCS operators: 0.000 Set scattering table: 0.050 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:13.330 Set ADP refinement strategy: 0.000 Make a string to write initial .geo file:0.000 Internal consistency checks: 0.000 Total: 254.220 ------------------------------------------------------------------------------- Set refinement monitor ********************** ------------------------------------------------------------------------------- Setup refinement engine *********************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8571 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 : 0.005 0.064 92880 Z= 0.304 Angle : 0.868 9.311 126504 Z= 0.513 Chirality : 0.052 0.268 14580 Planarity : 0.007 0.056 16596 Dihedral : 13.769 80.536 33570 Min Nonbonded Distance : 1.547 Molprobity Statistics. All-atom Clashscore : 1.99 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.70 % Favored : 97.30 % Rotamer Outliers : 0.00 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 3.45 % 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: -3.80 (0.06), residues: 11736 helix: -4.01 (0.03), residues: 4644 sheet: 0.54 (0.14), residues: 1494 loop : -1.95 (0.07), residues: 5598 *********************** REFINEMENT MACRO_CYCLE 1 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 23472 Ramachandran restraints generated. 11736 Oldfield, 0 Emsley, 11736 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 23472 Ramachandran restraints generated. 11736 Oldfield, 0 Emsley, 11736 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1339 residues out of total 10116 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 1339 time to evaluate : 8.096 Fit side-chains outliers start: 0 outliers final: 0 residues processed: 1339 average time/residue: 1.5721 time to fit residues: 2862.9188 Evaluate side-chains 957 residues out of total 10116 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 957 time to evaluate : 7.741 Switching outliers to nearest non-outliers outliers start: 0 outliers final: 0 residues processed: 0 time to fit residues: 10.6442 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=5.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1170 random chunks: chunk 987 optimal weight: 7.9990 chunk 886 optimal weight: 20.0000 chunk 492 optimal weight: 3.9990 chunk 302 optimal weight: 20.0000 chunk 598 optimal weight: 0.3980 chunk 473 optimal weight: 2.9990 chunk 917 optimal weight: 5.9990 chunk 354 optimal weight: 30.0000 chunk 557 optimal weight: 3.9990 chunk 682 optimal weight: 20.0000 chunk 1062 optimal weight: 6.9990 overall best weight: 3.4788 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: 3A 23 GLN 3A 93 ASN 3A 141 ASN 3A 654 GLN 3A 690 GLN 3B 239 GLN 3B 378 ASN 3B 690 GLN 3C 239 GLN 3C 470 ASN 3C 690 GLN 3D 23 GLN 3D 93 ASN 3D 654 GLN 3D 690 GLN 3E 378 ASN 3E 690 GLN 3F 239 GLN 3F 470 ASN 3F 690 GLN 4A 23 GLN ** 4A 321 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4A 470 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 4A 690 GLN 4B 202 GLN 4B 261 ASN 4B 690 GLN 4C 690 GLN 4D 23 GLN ** 4D 321 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4D 470 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 4D 690 GLN 4E 202 GLN 4E 690 GLN 4F 690 GLN 5A 690 GLN 5B 274 ASN 5B 350 ASN 5B 378 ASN 5B 690 GLN 5C 245 GLN 5C 690 GLN 5D 690 GLN 5E 23 GLN 5E 350 ASN 5E 690 GLN 5F 245 GLN 5F 690 GLN Total number of N/Q/H flips: 44 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8570 moved from start: 0.1765 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.003 0.055 92880 Z= 0.224 Angle : 0.659 8.868 126504 Z= 0.365 Chirality : 0.046 0.168 14580 Planarity : 0.006 0.089 16596 Dihedral : 5.042 22.865 12600 Min Nonbonded Distance : 2.141 Molprobity Statistics. All-atom Clashscore : 3.33 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.28 % Favored : 97.72 % Rotamer Outliers : 2.17 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 3.45 % 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: -1.46 (0.07), residues: 11736 helix: -0.86 (0.07), residues: 4680 sheet: 0.71 (0.14), residues: 1386 loop : -1.45 (0.08), residues: 5670 *********************** REFINEMENT MACRO_CYCLE 2 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 23472 Ramachandran restraints generated. 11736 Oldfield, 0 Emsley, 11736 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 23472 Ramachandran restraints generated. 11736 Oldfield, 0 Emsley, 11736 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1221 residues out of total 10116 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 214 poor density : 1007 time to evaluate : 7.943 Fit side-chains outliers start: 214 outliers final: 71 residues processed: 1099 average time/residue: 1.5334 time to fit residues: 2326.2360 Evaluate side-chains 1000 residues out of total 10116 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 71 poor density : 929 time to evaluate : 7.757 Switching outliers to nearest non-outliers outliers start: 71 outliers final: 35 residues processed: 36 average time/residue: 0.9574 time to fit residues: 65.6580 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1170 random chunks: chunk 590 optimal weight: 6.9990 chunk 329 optimal weight: 0.0770 chunk 884 optimal weight: 30.0000 chunk 723 optimal weight: 9.9990 chunk 293 optimal weight: 30.0000 chunk 1064 optimal weight: 10.0000 chunk 1149 optimal weight: 20.0000 chunk 947 optimal weight: 0.7980 chunk 1055 optimal weight: 7.9990 chunk 362 optimal weight: 5.9990 chunk 853 optimal weight: 20.0000 overall best weight: 4.3744 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: 3A 93 ASN 3A 654 GLN 3B 93 ASN 3B 187 ASN 3B 202 GLN 3C 187 ASN 3C 470 ASN 3D 654 GLN 3E 93 ASN 3E 202 GLN 3F 187 ASN 3F 470 ASN ** 4A 470 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 4B 202 GLN 4B 245 GLN 4C 378 ASN 4C 470 ASN ** 4D 470 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 4E 202 GLN 4E 245 GLN 4F 378 ASN ** 4F 470 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 5A 245 GLN 5A 274 ASN 5D 245 GLN Total number of N/Q/H flips: 22 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8590 moved from start: 0.2067 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.004 0.061 92880 Z= 0.249 Angle : 0.663 9.256 126504 Z= 0.366 Chirality : 0.047 0.183 14580 Planarity : 0.005 0.097 16596 Dihedral : 4.970 23.592 12600 Min Nonbonded Distance : 2.097 Molprobity Statistics. All-atom Clashscore : 2.93 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.86 % Favored : 97.14 % Rotamer Outliers : 1.94 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 3.45 % 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: -0.46 (0.07), residues: 11736 helix: 0.45 (0.07), residues: 4716 sheet: 0.74 (0.13), residues: 1494 loop : -1.26 (0.08), residues: 5526 *********************** REFINEMENT MACRO_CYCLE 3 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 23472 Ramachandran restraints generated. 11736 Oldfield, 0 Emsley, 11736 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 23472 Ramachandran restraints generated. 11736 Oldfield, 0 Emsley, 11736 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1118 residues out of total 10116 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 191 poor density : 927 time to evaluate : 10.170 Fit side-chains outliers start: 191 outliers final: 88 residues processed: 1012 average time/residue: 1.5883 time to fit residues: 2202.8626 Evaluate side-chains 993 residues out of total 10116 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 88 poor density : 905 time to evaluate : 7.826 Switching outliers to nearest non-outliers outliers start: 88 outliers final: 51 residues processed: 37 average time/residue: 0.9222 time to fit residues: 65.9384 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1170 random chunks: chunk 1051 optimal weight: 9.9990 chunk 800 optimal weight: 5.9990 chunk 552 optimal weight: 20.0000 chunk 117 optimal weight: 5.9990 chunk 507 optimal weight: 6.9990 chunk 714 optimal weight: 2.9990 chunk 1068 optimal weight: 7.9990 chunk 1130 optimal weight: 9.9990 chunk 558 optimal weight: 20.0000 chunk 1012 optimal weight: 10.0000 chunk 304 optimal weight: 20.0000 overall best weight: 5.9990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: 3A 654 GLN 3B 93 ASN 3C 470 ASN 3D 93 ASN 3D 470 ASN 3D 654 GLN 3E 93 ASN 3E 187 ASN 3F 470 ASN 4A 245 GLN ** 4A 470 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 4A 497 ASN 4B 202 GLN 4C 245 GLN 4C 340 ASN 4D 245 GLN ** 4D 470 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 4D 497 ASN 4E 202 GLN 4F 245 GLN ** 4F 470 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 5E 378 ASN Total number of N/Q/H flips: 19 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8610 moved from start: 0.2311 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.005 0.073 92880 Z= 0.313 Angle : 0.732 10.616 126504 Z= 0.405 Chirality : 0.050 0.205 14580 Planarity : 0.006 0.105 16596 Dihedral : 5.116 24.903 12600 Min Nonbonded Distance : 2.084 Molprobity Statistics. All-atom Clashscore : 3.15 Ramachandran Plot: Outliers : 0.00 % Allowed : 3.17 % Favored : 96.83 % Rotamer Outliers : 2.23 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 3.45 % 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 (0.08), residues: 11736 helix: 0.86 (0.07), residues: 4734 sheet: 0.73 (0.13), residues: 1494 loop : -1.28 (0.08), residues: 5508 *********************** REFINEMENT MACRO_CYCLE 4 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 23472 Ramachandran restraints generated. 11736 Oldfield, 0 Emsley, 11736 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 23472 Ramachandran restraints generated. 11736 Oldfield, 0 Emsley, 11736 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1158 residues out of total 10116 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 220 poor density : 938 time to evaluate : 7.814 Fit side-chains revert: symmetry clash revert: symmetry clash outliers start: 220 outliers final: 111 residues processed: 1056 average time/residue: 1.5587 time to fit residues: 2270.3716 Evaluate side-chains 1024 residues out of total 10116 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 111 poor density : 913 time to evaluate : 7.803 Switching outliers to nearest non-outliers outliers start: 111 outliers final: 69 residues processed: 42 average time/residue: 1.0842 time to fit residues: 80.7913 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=3.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1170 random chunks: chunk 941 optimal weight: 8.9990 chunk 641 optimal weight: 9.9990 chunk 16 optimal weight: 7.9990 chunk 842 optimal weight: 2.9990 chunk 466 optimal weight: 9.9990 chunk 965 optimal weight: 8.9990 chunk 781 optimal weight: 6.9990 chunk 1 optimal weight: 10.0000 chunk 577 optimal weight: 1.9990 chunk 1015 optimal weight: 50.0000 chunk 285 optimal weight: 8.9990 overall best weight: 5.7990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: 3A 654 GLN 3B 93 ASN 3B 470 ASN 3C 350 ASN 3C 470 ASN 3D 93 ASN 3D 654 GLN 3E 93 ASN 3E 470 ASN 3F 350 ASN 3F 470 ASN ** 4A 470 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 4B 202 GLN ** 4D 470 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 4E 202 GLN ** 4F 470 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 5B 187 ASN 5B 245 GLN 5B 582 ASN 5E 187 ASN 5E 245 GLN 5E 582 ASN Total number of N/Q/H flips: 19 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8606 moved from start: 0.2475 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.005 0.053 92880 Z= 0.301 Angle : 0.717 10.249 126504 Z= 0.397 Chirality : 0.049 0.199 14580 Planarity : 0.006 0.100 16596 Dihedral : 5.104 24.547 12600 Min Nonbonded Distance : 2.108 Molprobity Statistics. All-atom Clashscore : 3.01 Ramachandran Plot: Outliers : 0.00 % Allowed : 3.26 % Favored : 96.74 % Rotamer Outliers : 2.37 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 3.45 % 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: -0.11 (0.08), residues: 11736 helix: 1.11 (0.07), residues: 4734 sheet: 0.89 (0.14), residues: 1314 loop : -1.37 (0.08), residues: 5688 *********************** REFINEMENT MACRO_CYCLE 5 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 23472 Ramachandran restraints generated. 11736 Oldfield, 0 Emsley, 11736 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 23472 Ramachandran restraints generated. 11736 Oldfield, 0 Emsley, 11736 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1163 residues out of total 10116 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 233 poor density : 930 time to evaluate : 8.330 Fit side-chains revert: symmetry clash revert: symmetry clash outliers start: 233 outliers final: 138 residues processed: 1060 average time/residue: 1.5469 time to fit residues: 2271.9033 Evaluate side-chains 1050 residues out of total 10116 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 138 poor density : 912 time to evaluate : 7.919 Switching outliers to nearest non-outliers outliers start: 138 outliers final: 93 residues processed: 45 average time/residue: 1.0669 time to fit residues: 85.6633 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=3.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1170 random chunks: chunk 380 optimal weight: 10.0000 chunk 1018 optimal weight: 4.9990 chunk 223 optimal weight: 0.5980 chunk 663 optimal weight: 9.9990 chunk 279 optimal weight: 10.0000 chunk 1132 optimal weight: 2.9990 chunk 939 optimal weight: 20.0000 chunk 524 optimal weight: 0.8980 chunk 94 optimal weight: 10.0000 chunk 374 optimal weight: 10.0000 chunk 594 optimal weight: 20.0000 overall best weight: 3.8986 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: 3A 654 GLN 3B 93 ASN 3B 350 ASN 3C 470 ASN 3D 93 ASN 3D 654 GLN 3E 93 ASN 3E 350 ASN 3F 470 ASN ** 4A 470 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 4B 202 GLN ** 4D 470 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 4E 202 GLN 4F 470 ASN 5F 582 ASN Total number of N/Q/H flips: 13 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8583 moved from start: 0.2569 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.004 0.080 92880 Z= 0.227 Angle : 0.632 9.064 126504 Z= 0.348 Chirality : 0.046 0.172 14580 Planarity : 0.005 0.108 16596 Dihedral : 4.902 23.695 12600 Min Nonbonded Distance : 2.119 Molprobity Statistics. All-atom Clashscore : 2.95 Ramachandran Plot: Outliers : 0.00 % Allowed : 3.16 % Favored : 96.84 % Rotamer Outliers : 2.19 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 3.45 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 0.15 (0.08), residues: 11736 helix: 1.42 (0.08), residues: 4716 sheet: 0.98 (0.14), residues: 1278 loop : -1.29 (0.08), residues: 5742 *********************** REFINEMENT MACRO_CYCLE 6 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 23472 Ramachandran restraints generated. 11736 Oldfield, 0 Emsley, 11736 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 23472 Ramachandran restraints generated. 11736 Oldfield, 0 Emsley, 11736 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1141 residues out of total 10116 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 216 poor density : 925 time to evaluate : 7.969 Fit side-chains revert: symmetry clash revert: symmetry clash outliers start: 216 outliers final: 130 residues processed: 1071 average time/residue: 1.5636 time to fit residues: 2310.6361 Evaluate side-chains 1030 residues out of total 10116 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 130 poor density : 900 time to evaluate : 7.842 Switching outliers to nearest non-outliers outliers start: 130 outliers final: 103 residues processed: 27 average time/residue: 1.1441 time to fit residues: 57.1494 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=2.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1170 random chunks: chunk 1091 optimal weight: 10.0000 chunk 127 optimal weight: 3.9990 chunk 644 optimal weight: 0.9980 chunk 826 optimal weight: 10.0000 chunk 640 optimal weight: 6.9990 chunk 952 optimal weight: 20.0000 chunk 632 optimal weight: 9.9990 chunk 1127 optimal weight: 9.9990 chunk 705 optimal weight: 8.9990 chunk 687 optimal weight: 10.0000 chunk 520 optimal weight: 5.9990 overall best weight: 5.3988 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: 3A 93 ASN 3A 245 GLN 3A 654 GLN 3B 93 ASN 3C 470 ASN 3D 654 GLN 3E 93 ASN 3E 274 ASN 3F 470 ASN ** 4A 470 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 4B 202 GLN ** 4D 470 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 4E 202 GLN 5C 327 ASN 5F 327 ASN Total number of N/Q/H flips: 13 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8604 moved from start: 0.2609 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.004 0.050 92880 Z= 0.286 Angle : 0.709 10.717 126504 Z= 0.391 Chirality : 0.049 0.200 14580 Planarity : 0.006 0.093 16596 Dihedral : 5.045 24.877 12600 Min Nonbonded Distance : 2.102 Molprobity Statistics. All-atom Clashscore : 3.17 Ramachandran Plot: Outliers : 0.00 % Allowed : 3.19 % Favored : 96.81 % Rotamer Outliers : 2.20 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 3.45 % 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 (0.08), residues: 11736 helix: 1.34 (0.08), residues: 4716 sheet: 0.95 (0.14), residues: 1278 loop : -1.32 (0.08), residues: 5742 *********************** REFINEMENT MACRO_CYCLE 7 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 23472 Ramachandran restraints generated. 11736 Oldfield, 0 Emsley, 11736 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 23472 Ramachandran restraints generated. 11736 Oldfield, 0 Emsley, 11736 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1119 residues out of total 10116 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 217 poor density : 902 time to evaluate : 9.417 Fit side-chains revert: symmetry clash revert: symmetry clash outliers start: 217 outliers final: 156 residues processed: 1046 average time/residue: 1.5807 time to fit residues: 2291.8792 Evaluate side-chains 1039 residues out of total 10116 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 156 poor density : 883 time to evaluate : 7.794 Switching outliers to nearest non-outliers outliers start: 156 outliers final: 117 residues processed: 40 average time/residue: 0.9659 time to fit residues: 72.8707 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=2.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1170 random chunks: chunk 697 optimal weight: 9.9990 chunk 450 optimal weight: 10.0000 chunk 673 optimal weight: 0.8980 chunk 339 optimal weight: 9.9990 chunk 221 optimal weight: 30.0000 chunk 218 optimal weight: 10.0000 chunk 716 optimal weight: 10.0000 chunk 768 optimal weight: 3.9990 chunk 557 optimal weight: 20.0000 chunk 105 optimal weight: 50.0000 chunk 886 optimal weight: 40.0000 overall best weight: 6.9790 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: 3A 93 ASN 3A 654 GLN 3B 93 ASN 3C 470 ASN 3D 654 GLN 3F 470 ASN ** 4A 470 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 4B 202 GLN 4C 340 ASN ** 4D 470 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 4E 202 GLN 4F 340 ASN Total number of N/Q/H flips: 10 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8617 moved from start: 0.2654 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.005 0.087 92880 Z= 0.350 Angle : 0.779 11.360 126504 Z= 0.431 Chirality : 0.052 0.218 14580 Planarity : 0.006 0.119 16596 Dihedral : 5.196 24.880 12600 Min Nonbonded Distance : 2.107 Molprobity Statistics. All-atom Clashscore : 3.17 Ramachandran Plot: Outliers : 0.00 % Allowed : 3.50 % Favored : 96.50 % Rotamer Outliers : 2.22 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 3.45 % 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: -0.04 (0.08), residues: 11736 helix: 1.14 (0.07), residues: 4788 sheet: 0.91 (0.14), residues: 1278 loop : -1.31 (0.08), residues: 5670 *********************** REFINEMENT MACRO_CYCLE 8 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 23472 Ramachandran restraints generated. 11736 Oldfield, 0 Emsley, 11736 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 23472 Ramachandran restraints generated. 11736 Oldfield, 0 Emsley, 11736 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1115 residues out of total 10116 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 219 poor density : 896 time to evaluate : 10.603 Fit side-chains outliers start: 219 outliers final: 163 residues processed: 1051 average time/residue: 1.6365 time to fit residues: 2398.9953 Evaluate side-chains 1055 residues out of total 10116 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 163 poor density : 892 time to evaluate : 7.902 Switching outliers to nearest non-outliers outliers start: 163 outliers final: 131 residues processed: 34 average time/residue: 1.0601 time to fit residues: 67.6793 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1170 random chunks: chunk 1025 optimal weight: 1.9990 chunk 1080 optimal weight: 50.0000 chunk 985 optimal weight: 9.9990 chunk 1050 optimal weight: 9.9990 chunk 632 optimal weight: 3.9990 chunk 457 optimal weight: 5.9990 chunk 825 optimal weight: 4.9990 chunk 322 optimal weight: 2.9990 chunk 949 optimal weight: 20.0000 chunk 993 optimal weight: 2.9990 chunk 1047 optimal weight: 5.9990 overall best weight: 3.3990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: 3A 93 ASN 3A 350 ASN 3A 654 GLN 3B 93 ASN 3C 470 ASN 3D 350 ASN 3D 470 ASN 3D 654 GLN 3F 470 ASN ** 4A 470 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 4B 202 GLN 4C 340 ASN 4D 470 ASN 4E 202 GLN 4F 340 ASN Total number of N/Q/H flips: 14 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8581 moved from start: 0.2720 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.003 0.074 92880 Z= 0.214 Angle : 0.633 9.927 126504 Z= 0.347 Chirality : 0.046 0.170 14580 Planarity : 0.005 0.110 16596 Dihedral : 4.927 23.557 12600 Min Nonbonded Distance : 2.124 Molprobity Statistics. All-atom Clashscore : 3.07 Ramachandran Plot: Outliers : 0.00 % Allowed : 3.07 % Favored : 96.93 % Rotamer Outliers : 1.63 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 3.45 % 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: 0.24 (0.08), residues: 11736 helix: 1.50 (0.08), residues: 4752 sheet: 0.99 (0.14), residues: 1278 loop : -1.26 (0.08), residues: 5706 *********************** REFINEMENT MACRO_CYCLE 9 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 23472 Ramachandran restraints generated. 11736 Oldfield, 0 Emsley, 11736 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 23472 Ramachandran restraints generated. 11736 Oldfield, 0 Emsley, 11736 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1060 residues out of total 10116 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 160 poor density : 900 time to evaluate : 8.662 Fit side-chains revert: symmetry clash revert: symmetry clash outliers start: 160 outliers final: 138 residues processed: 1037 average time/residue: 1.6749 time to fit residues: 2405.8974 Evaluate side-chains 1016 residues out of total 10116 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 138 poor density : 878 time to evaluate : 7.818 Switching outliers to nearest non-outliers outliers start: 138 outliers final: 126 residues processed: 12 average time/residue: 1.0942 time to fit residues: 31.1569 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1170 random chunks: chunk 690 optimal weight: 50.0000 chunk 1111 optimal weight: 9.9990 chunk 678 optimal weight: 6.9990 chunk 527 optimal weight: 4.9990 chunk 772 optimal weight: 5.9990 chunk 1165 optimal weight: 0.0570 chunk 1072 optimal weight: 20.0000 chunk 928 optimal weight: 0.9990 chunk 96 optimal weight: 8.9990 chunk 716 optimal weight: 10.0000 chunk 569 optimal weight: 6.9990 overall best weight: 3.8106 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: 3A 93 ASN 3A 654 GLN 3B 93 ASN 3C 470 ASN 3D 93 ASN 3D 470 ASN 3D 654 GLN 3E 93 ASN 3F 470 ASN ** 4A 470 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 4B 202 GLN 4C 340 ASN 4E 202 GLN 4F 340 ASN Total number of N/Q/H flips: 13 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8584 moved from start: 0.2741 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.004 0.124 92880 Z= 0.227 Angle : 0.647 12.409 126504 Z= 0.354 Chirality : 0.046 0.174 14580 Planarity : 0.005 0.138 16596 Dihedral : 4.902 24.293 12600 Min Nonbonded Distance : 2.112 Molprobity Statistics. All-atom Clashscore : 3.12 Ramachandran Plot: Outliers : 0.00 % Allowed : 3.23 % Favored : 96.77 % Rotamer Outliers : 1.63 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 3.45 % 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: 0.29 (0.08), residues: 11736 helix: 1.57 (0.08), residues: 4752 sheet: 1.00 (0.14), residues: 1278 loop : -1.25 (0.08), residues: 5706 ********************** REFINEMENT MACRO_CYCLE 10 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 23472 Ramachandran restraints generated. 11736 Oldfield, 0 Emsley, 11736 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 23472 Ramachandran restraints generated. 11736 Oldfield, 0 Emsley, 11736 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1039 residues out of total 10116 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 160 poor density : 879 time to evaluate : 8.081 Fit side-chains outliers start: 160 outliers final: 132 residues processed: 1015 average time/residue: 1.6903 time to fit residues: 2403.1286 Evaluate side-chains 1015 residues out of total 10116 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 132 poor density : 883 time to evaluate : 8.052 Switching outliers to nearest non-outliers outliers start: 132 outliers final: 124 residues processed: 8 average time/residue: 1.0457 time to fit residues: 24.5943 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1170 random chunks: chunk 737 optimal weight: 6.9990 chunk 988 optimal weight: 2.9990 chunk 284 optimal weight: 5.9990 chunk 855 optimal weight: 9.9990 chunk 137 optimal weight: 9.9990 chunk 257 optimal weight: 6.9990 chunk 929 optimal weight: 10.0000 chunk 389 optimal weight: 4.9990 chunk 954 optimal weight: 20.0000 chunk 117 optimal weight: 2.9990 chunk 171 optimal weight: 30.0000 overall best weight: 4.7990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: 3A 93 ASN 3A 654 GLN 3B 93 ASN 3C 470 ASN 3D 93 ASN 3D 470 ASN 3D 654 GLN 3E 93 ASN 3F 470 ASN ** 4A 470 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 4B 202 GLN 4C 340 ASN 4E 202 GLN 4F 340 ASN 5C 327 ASN 5F 327 ASN Total number of N/Q/H flips: 15 ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.3870 r_free = 0.3870 target = 0.177399 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 37)----------------| | r_work = 0.3700 r_free = 0.3700 target = 0.161748 restraints weight = 78471.637| |-----------------------------------------------------------------------------| r_work (start): 0.3698 rms_B_bonded: 0.47 r_work: 0.3650 rms_B_bonded: 0.89 restraints_weight: 0.5000 r_work: 0.3543 rms_B_bonded: 1.84 restraints_weight: 0.2500 r_work: 0.3382 rms_B_bonded: 4.29 restraints_weight: 0.1250 r_work (final): 0.3382 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8323 moved from start: 0.2754 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.004 0.127 92880 Z= 0.267 Angle : 0.692 12.908 126504 Z= 0.380 Chirality : 0.048 0.188 14580 Planarity : 0.006 0.140 16596 Dihedral : 4.990 24.674 12600 Min Nonbonded Distance : 2.113 Molprobity Statistics. All-atom Clashscore : 3.17 Ramachandran Plot: Outliers : 0.00 % Allowed : 3.14 % Favored : 96.86 % Rotamer Outliers : 1.63 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 3.45 % 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: 0.21 (0.08), residues: 11736 helix: 1.48 (0.08), residues: 4752 sheet: 0.98 (0.14), residues: 1278 loop : -1.28 (0.08), residues: 5706 =============================================================================== Job complete usr+sys time: 30347.87 seconds wall clock time: 525 minutes 33.90 seconds (31533.90 seconds total)