Starting phenix.real_space_refine on Mon Mar 11 16:27:52 2024 by dcliebschner =============================================================================== Processing files: ------------------------------------------------------------------------------- Found model, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/8es4_28562/03_2024/8es4_28562.pdb Found real_map, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/8es4_28562/03_2024/8es4_28562.map Processing PHIL parameters: ------------------------------------------------------------------------------- Adding command-line PHIL: ------------------------- refinement.macro_cycles=10 scattering_table=electron resolution=3.3 write_initial_geo_file=False Final processed PHIL parameters: ------------------------------------------------------------------------------- data_manager { real_map_files = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/8es4_28562/03_2024/8es4_28562.map" default_real_map = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/8es4_28562/03_2024/8es4_28562.map" model { file = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/8es4_28562/03_2024/8es4_28562.pdb" } default_model = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/8es4_28562/03_2024/8es4_28562.pdb" } resolution = 3.3 write_initial_geo_file = False refinement { macro_cycles = 10 } qi { qm_restraints { package { program = *test } } } Starting job =============================================================================== ------------------------------------------------------------------------------- Citation: ********* Afonine PV, Poon BK, Read RJ, Sobolev OV, Terwilliger TC, Urzhumtsev A, Adams PD. (2018) Real-space refinement in PHENIX for cryo-EM and crystallography. Acta Cryst. D74:531-544. Validating inputs ------------------------------------------------------------------------------- Processing inputs ***************** Set random seed Set to: 0 Set model cs if undefined Decide on map wrapping Map wrapping is set to: False Normalize map: mean=0, sd=1 Input map: mean= 0.000 sd= 0.003 Set stop_for_unknowns flag Set to: True Assert model is a single copy model Assert all atoms have isotropic ADPs Construct map_model_manager Extract box with map and model Check model and map are aligned Set scattering table Set to: electron Number of scattering types: 4 Type Number sf(0) Gaussians S 336 5.16 5 C 69948 2.51 5 N 19092 2.21 5 O 21396 1.98 5 sf(0) = scattering factor at diffraction angle 0. Process input model Symmetric amino acids flipped Residue "A GLU 7": "OE1" <-> "OE2" Residue "A ASP 16": "OD1" <-> "OD2" Residue "A ASP 122": "OD1" <-> "OD2" Residue "A GLU 146": "OE1" <-> "OE2" Residue "A GLU 219": "OE1" <-> "OE2" Residue "A TYR 231": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A ASP 258": "OD1" <-> "OD2" Residue "A TYR 393": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C ASP 21": "OD1" <-> "OD2" Residue "C ASP 95": "OD1" <-> "OD2" Residue "C ASP 102": "OD1" <-> "OD2" Residue "C ASP 113": "OD1" <-> "OD2" Residue "C GLU 115": "OE1" <-> "OE2" Residue "E GLU 6": "OE1" <-> "OE2" Residue "E GLU 23": "OE1" <-> "OE2" Residue "E ASP 328": "OD1" <-> "OD2" Residue "E PHE 558": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E ASP 709": "OD1" <-> "OD2" Residue "E TYR 767": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G TYR 113": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H TYR 30": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H ASP 70": "OD1" <-> "OD2" Residue "H GLU 72": "OE1" <-> "OE2" Residue "H PHE 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H GLU 105": "OE1" <-> "OE2" Residue "H ASP 110": "OD1" <-> "OD2" Residue "F TYR 43": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F ASP 48": "OD1" <-> "OD2" Residue "F GLU 72": "OE1" <-> "OE2" Residue "F TYR 75": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F GLU 80": "OE1" <-> "OE2" Residue "F ASP 115": "OD1" <-> "OD2" Residue "F ASP 131": "OD1" <-> "OD2" Residue "F ASP 134": "OD1" <-> "OD2" Residue "B ASP 16": "OD1" <-> "OD2" Residue "B TYR 55": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B TYR 143": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B GLU 186": "OE1" <-> "OE2" Residue "B PHE 187": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B GLU 235": "OE1" <-> "OE2" Residue "B ASP 305": "OD1" <-> "OD2" Residue "B TYR 395": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B PHE 466": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D TYR 83": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D GLU 115": "OE1" <-> "OE2" Residue "D GLU 161": "OE1" <-> "OE2" Residue "I GLU 7": "OE1" <-> "OE2" Residue "I ASP 16": "OD1" <-> "OD2" Residue "I ASP 122": "OD1" <-> "OD2" Residue "I GLU 146": "OE1" <-> "OE2" Residue "I GLU 219": "OE1" <-> "OE2" Residue "I TYR 231": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I ASP 258": "OD1" <-> "OD2" Residue "I TYR 393": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J ASP 21": "OD1" <-> "OD2" Residue "J ASP 95": "OD1" <-> "OD2" Residue "J ASP 102": "OD1" <-> "OD2" Residue "J ASP 113": "OD1" <-> "OD2" Residue "J GLU 115": "OE1" <-> "OE2" Residue "K GLU 6": "OE1" <-> "OE2" Residue "K GLU 23": "OE1" <-> "OE2" Residue "K ASP 328": "OD1" <-> "OD2" Residue "K PHE 558": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K ASP 709": "OD1" <-> "OD2" Residue "K TYR 767": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L TYR 113": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M TYR 30": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M ASP 70": "OD1" <-> "OD2" Residue "M GLU 72": "OE1" <-> "OE2" Residue "M PHE 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M GLU 105": "OE1" <-> "OE2" Residue "M ASP 110": "OD1" <-> "OD2" Residue "N TYR 43": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N ASP 48": "OD1" <-> "OD2" Residue "N GLU 72": "OE1" <-> "OE2" Residue "N TYR 75": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N GLU 80": "OE1" <-> "OE2" Residue "N ASP 115": "OD1" <-> "OD2" Residue "N ASP 131": "OD1" <-> "OD2" Residue "N ASP 134": "OD1" <-> "OD2" Residue "O ASP 16": "OD1" <-> "OD2" Residue "O TYR 55": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O TYR 143": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O GLU 186": "OE1" <-> "OE2" Residue "O PHE 187": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O GLU 235": "OE1" <-> "OE2" Residue "O ASP 305": "OD1" <-> "OD2" Residue "O TYR 395": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O PHE 466": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P TYR 83": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P GLU 115": "OE1" <-> "OE2" Residue "P GLU 161": "OE1" <-> "OE2" Residue "Q GLU 7": "OE1" <-> "OE2" Residue "Q ASP 16": "OD1" <-> "OD2" Residue "Q ASP 122": "OD1" <-> "OD2" Residue "Q GLU 146": "OE1" <-> "OE2" Residue "Q GLU 219": "OE1" <-> "OE2" Residue "Q TYR 231": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q ASP 258": "OD1" <-> "OD2" Residue "Q TYR 393": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R ASP 21": "OD1" <-> "OD2" Residue "R ASP 95": "OD1" <-> "OD2" Residue "R ASP 102": "OD1" <-> "OD2" Residue "R ASP 113": "OD1" <-> "OD2" Residue "R GLU 115": "OE1" <-> "OE2" Residue "S GLU 6": "OE1" <-> "OE2" Residue "S GLU 23": "OE1" <-> "OE2" Residue "S ASP 328": "OD1" <-> "OD2" Residue "S PHE 558": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S ASP 709": "OD1" <-> "OD2" Residue "S TYR 767": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T TYR 113": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U TYR 30": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U ASP 70": "OD1" <-> "OD2" Residue "U GLU 72": "OE1" <-> "OE2" Residue "U PHE 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U GLU 105": "OE1" <-> "OE2" Residue "U ASP 110": "OD1" <-> "OD2" Residue "V TYR 43": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V ASP 48": "OD1" <-> "OD2" Residue "V GLU 72": "OE1" <-> "OE2" Residue "V TYR 75": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V GLU 80": "OE1" <-> "OE2" Residue "V ASP 115": "OD1" <-> "OD2" Residue "V ASP 131": "OD1" <-> "OD2" Residue "V ASP 134": "OD1" <-> "OD2" Residue "W ASP 16": "OD1" <-> "OD2" Residue "W TYR 55": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W TYR 143": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W GLU 186": "OE1" <-> "OE2" Residue "W PHE 187": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W GLU 235": "OE1" <-> "OE2" Residue "W ASP 305": "OD1" <-> "OD2" Residue "W TYR 395": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W PHE 466": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X TYR 83": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X GLU 115": "OE1" <-> "OE2" Residue "X GLU 161": "OE1" <-> "OE2" Residue "Y GLU 7": "OE1" <-> "OE2" Residue "Y ASP 16": "OD1" <-> "OD2" Residue "Y ASP 122": "OD1" <-> "OD2" Residue "Y GLU 146": "OE1" <-> "OE2" Residue "Y GLU 219": "OE1" <-> "OE2" Residue "Y TYR 231": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y ASP 258": "OD1" <-> "OD2" Residue "Y TYR 393": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z ASP 21": "OD1" <-> "OD2" Residue "Z ASP 95": "OD1" <-> "OD2" Residue "Z ASP 102": "OD1" <-> "OD2" Residue "Z ASP 113": "OD1" <-> "OD2" Residue "Z GLU 115": "OE1" <-> "OE2" Residue "0 GLU 6": "OE1" <-> "OE2" Residue "0 GLU 23": "OE1" <-> "OE2" Residue "0 ASP 328": "OD1" <-> "OD2" Residue "0 PHE 558": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "0 ASP 709": "OD1" <-> "OD2" Residue "0 TYR 767": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 TYR 113": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 TYR 30": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 ASP 70": "OD1" <-> "OD2" Residue "2 GLU 72": "OE1" <-> "OE2" Residue "2 PHE 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 GLU 105": "OE1" <-> "OE2" Residue "2 ASP 110": "OD1" <-> "OD2" Residue "3 TYR 43": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 ASP 48": "OD1" <-> "OD2" Residue "3 GLU 72": "OE1" <-> "OE2" Residue "3 TYR 75": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 GLU 80": "OE1" <-> "OE2" Residue "3 ASP 115": "OD1" <-> "OD2" Residue "3 ASP 131": "OD1" <-> "OD2" Residue "3 ASP 134": "OD1" <-> "OD2" Residue "4 ASP 16": "OD1" <-> "OD2" Residue "4 TYR 55": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 TYR 143": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 GLU 186": "OE1" <-> "OE2" Residue "4 PHE 187": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 GLU 235": "OE1" <-> "OE2" Residue "4 ASP 305": "OD1" <-> "OD2" Residue "4 TYR 395": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 PHE 466": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 TYR 83": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 GLU 115": "OE1" <-> "OE2" Residue "5 GLU 161": "OE1" <-> "OE2" Residue "6 GLU 7": "OE1" <-> "OE2" Residue "6 ASP 16": "OD1" <-> "OD2" Residue "6 ASP 122": "OD1" <-> "OD2" Residue "6 GLU 146": "OE1" <-> "OE2" Residue "6 GLU 219": "OE1" <-> "OE2" Residue "6 TYR 231": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "6 ASP 258": "OD1" <-> "OD2" Residue "6 TYR 393": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "7 ASP 21": "OD1" <-> "OD2" Residue "7 ASP 95": "OD1" <-> "OD2" Residue "7 ASP 102": "OD1" <-> "OD2" Residue "7 ASP 113": "OD1" <-> "OD2" Residue "7 GLU 115": "OE1" <-> "OE2" Residue "8 GLU 6": "OE1" <-> "OE2" Residue "8 GLU 23": "OE1" <-> "OE2" Residue "8 ASP 328": "OD1" <-> "OD2" Residue "8 PHE 558": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "8 ASP 709": "OD1" <-> "OD2" Residue "8 TYR 767": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "9 TYR 113": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a TYR 30": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a ASP 70": "OD1" <-> "OD2" Residue "a GLU 72": "OE1" <-> "OE2" Residue "a PHE 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a GLU 105": "OE1" <-> "OE2" Residue "a ASP 110": "OD1" <-> "OD2" Residue "b TYR 43": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b ASP 48": "OD1" <-> "OD2" Residue "b GLU 72": "OE1" <-> "OE2" Residue "b TYR 75": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b GLU 80": "OE1" <-> "OE2" Residue "b ASP 115": "OD1" <-> "OD2" Residue "b ASP 131": "OD1" <-> "OD2" Residue "b ASP 134": "OD1" <-> "OD2" Residue "c ASP 16": "OD1" <-> "OD2" Residue "c TYR 55": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c TYR 143": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c GLU 186": "OE1" <-> "OE2" Residue "c PHE 187": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c GLU 235": "OE1" <-> "OE2" Residue "c ASP 305": "OD1" <-> "OD2" Residue "c TYR 395": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c PHE 466": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d TYR 83": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d GLU 115": "OE1" <-> "OE2" Residue "d GLU 161": "OE1" <-> "OE2" Residue "e GLU 7": "OE1" <-> "OE2" Residue "e ASP 16": "OD1" <-> "OD2" Residue "e ASP 122": "OD1" <-> "OD2" Residue "e GLU 146": "OE1" <-> "OE2" Residue "e GLU 219": "OE1" <-> "OE2" Residue "e TYR 231": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e ASP 258": "OD1" <-> "OD2" Residue "e TYR 393": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f ASP 21": "OD1" <-> "OD2" Residue "f ASP 95": "OD1" <-> "OD2" Residue "f ASP 102": "OD1" <-> "OD2" Residue "f ASP 113": "OD1" <-> "OD2" Residue "f GLU 115": "OE1" <-> "OE2" Residue "g GLU 6": "OE1" <-> "OE2" Residue "g GLU 23": "OE1" <-> "OE2" Residue "g ASP 328": "OD1" <-> "OD2" Residue "g PHE 558": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g ASP 709": "OD1" <-> "OD2" Residue "g TYR 767": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h TYR 113": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i TYR 30": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i ASP 70": "OD1" <-> "OD2" Residue "i GLU 72": "OE1" <-> "OE2" Residue "i PHE 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i GLU 105": "OE1" <-> "OE2" Residue "i ASP 110": "OD1" <-> "OD2" Residue "j TYR 43": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j ASP 48": "OD1" <-> "OD2" Residue "j GLU 72": "OE1" <-> "OE2" Residue "j TYR 75": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j GLU 80": "OE1" <-> "OE2" Residue "j ASP 115": "OD1" <-> "OD2" Residue "j ASP 131": "OD1" <-> "OD2" Residue "j ASP 134": "OD1" <-> "OD2" Residue "k ASP 16": "OD1" <-> "OD2" Residue "k TYR 55": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k TYR 143": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k GLU 186": "OE1" <-> "OE2" Residue "k PHE 187": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k GLU 235": "OE1" <-> "OE2" Residue "k ASP 305": "OD1" <-> "OD2" Residue "k TYR 395": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k PHE 466": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l TYR 83": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l GLU 115": "OE1" <-> "OE2" Residue "l GLU 161": "OE1" <-> "OE2" Time to flip residues: 0.26s Monomer Library directory: "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5265/modules/chem_data/mon_lib" Total number of atoms: 110772 Number of models: 1 Model: "" Number of chains: 48 Chain: "A" Number of atoms: 3389 Number of conformers: 1 Conformer: "" Number of residues, atoms: 460, 3389 Classifications: {'peptide': 460} Incomplete info: {'truncation_to_alanine': 51} Link IDs: {'PTRANS': 14, 'TRANS': 445} Chain breaks: 1 Unresolved non-hydrogen bonds: 177 Unresolved non-hydrogen angles: 218 Unresolved non-hydrogen dihedrals: 138 Unresolved non-hydrogen chiralities: 5 Planarities with less than four sites: {'GLN:plan1': 5, 'ASP:plan': 15, 'ASN:plan1': 1, 'HIS:plan': 1, 'GLU:plan': 11, 'ARG:plan': 2} Unresolved non-hydrogen planarities: 127 Chain: "C" Number of atoms: 1355 Number of conformers: 1 Conformer: "" Number of residues, atoms: 181, 1355 Classifications: {'peptide': 181} Incomplete info: {'truncation_to_alanine': 18} Link IDs: {'PTRANS': 6, 'TRANS': 174} Unresolved non-hydrogen bonds: 68 Unresolved non-hydrogen angles: 85 Unresolved non-hydrogen dihedrals: 53 Unresolved non-hydrogen chiralities: 5 Planarities with less than four sites: {'GLU:plan': 2, 'HIS:plan': 1, 'ASN:plan1': 2, 'ASP:plan': 2, 'ARG:plan': 4} Unresolved non-hydrogen planarities: 45 Chain: "E" Number of atoms: 5718 Number of conformers: 1 Conformer: "" Number of residues, atoms: 772, 5718 Classifications: {'peptide': 772} Incomplete info: {'truncation_to_alanine': 50} Link IDs: {'PTRANS': 33, 'TRANS': 738} Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 202 Unresolved non-hydrogen angles: 255 Unresolved non-hydrogen dihedrals: 165 Unresolved non-hydrogen chiralities: 6 Planarities with less than four sites: {'GLN:plan1': 4, 'TYR:plan': 2, 'ASN:plan1': 2, 'TRP:plan': 1, 'ASP:plan': 11, 'PHE:plan': 1, 'GLU:plan': 9, 'ARG:plan': 7} Unresolved non-hydrogen planarities: 155 Chain: "G" Number of atoms: 1021 Number of conformers: 1 Conformer: "" Number of residues, atoms: 130, 1021 Classifications: {'peptide': 130} Incomplete info: {'truncation_to_alanine': 12} Link IDs: {'PTRANS': 1, 'TRANS': 128} Chain breaks: 2 Unresolved non-hydrogen bonds: 37 Unresolved non-hydrogen angles: 49 Unresolved non-hydrogen dihedrals: 25 Unresolved non-hydrogen chiralities: 4 Planarities with less than four sites: {'GLN:plan1': 1, 'GLU:plan': 2, 'ASN:plan1': 1, 'ASP:plan': 4} Unresolved non-hydrogen planarities: 27 Chain: "H" Number of atoms: 1046 Number of conformers: 1 Conformer: "" Number of residues, atoms: 132, 1046 Classifications: {'peptide': 132} Incomplete info: {'truncation_to_alanine': 5} Link IDs: {'PTRANS': 1, 'TRANS': 130} Chain breaks: 2 Unresolved non-hydrogen bonds: 23 Unresolved non-hydrogen angles: 30 Unresolved non-hydrogen dihedrals: 19 Planarities with less than four sites: {'TYR:plan': 1, 'GLU:plan': 2, 'GLN:plan1': 1, 'ASP:plan': 1} Unresolved non-hydrogen planarities: 22 Chain: "F" Number of atoms: 1141 Number of conformers: 1 Conformer: "" Number of residues, atoms: 145, 1141 Classifications: {'peptide': 145} Incomplete info: {'truncation_to_alanine': 2} Link IDs: {'PTRANS': 3, 'TRANS': 141} Unresolved non-hydrogen bonds: 7 Unresolved non-hydrogen angles: 9 Unresolved non-hydrogen dihedrals: 5 Planarities with less than four sites: {'GLU:plan': 1, 'ASP:plan': 1} Unresolved non-hydrogen planarities: 7 Chain: "B" Number of atoms: 3441 Number of conformers: 1 Conformer: "" Number of residues, atoms: 460, 3441 Classifications: {'peptide': 460} Incomplete info: {'truncation_to_alanine': 36} Link IDs: {'PTRANS': 14, 'TRANS': 445} Chain breaks: 1 Unresolved non-hydrogen bonds: 124 Unresolved non-hydrogen angles: 153 Unresolved non-hydrogen dihedrals: 95 Unresolved non-hydrogen chiralities: 5 Planarities with less than four sites: {'GLN:plan1': 6, 'GLU:plan': 8, 'ARG:plan': 1, 'ASP:plan': 9} Unresolved non-hydrogen planarities: 88 Chain: "D" Number of atoms: 1351 Number of conformers: 1 Conformer: "" Number of residues, atoms: 181, 1351 Classifications: {'peptide': 181} Incomplete info: {'truncation_to_alanine': 19} Link IDs: {'PTRANS': 6, 'TRANS': 174} Unresolved non-hydrogen bonds: 72 Unresolved non-hydrogen angles: 89 Unresolved non-hydrogen dihedrals: 57 Unresolved non-hydrogen chiralities: 5 Planarities with less than four sites: {'GLU:plan': 3, 'HIS:plan': 1, 'ARG:plan': 4, 'ASN:plan1': 1, 'ASP:plan': 2} Unresolved non-hydrogen planarities: 46 Chain: "I" Number of atoms: 3389 Number of conformers: 1 Conformer: "" Number of residues, atoms: 460, 3389 Classifications: {'peptide': 460} Incomplete info: {'truncation_to_alanine': 51} Link IDs: {'PTRANS': 14, 'TRANS': 445} Chain breaks: 1 Unresolved non-hydrogen bonds: 177 Unresolved non-hydrogen angles: 218 Unresolved non-hydrogen dihedrals: 138 Unresolved non-hydrogen chiralities: 5 Planarities with less than four sites: {'GLN:plan1': 5, 'ASP:plan': 15, 'ASN:plan1': 1, 'HIS:plan': 1, 'GLU:plan': 11, 'ARG:plan': 2} Unresolved non-hydrogen planarities: 127 Chain: "J" Number of atoms: 1355 Number of conformers: 1 Conformer: "" Number of residues, atoms: 181, 1355 Classifications: {'peptide': 181} Incomplete info: {'truncation_to_alanine': 18} Link IDs: {'PTRANS': 6, 'TRANS': 174} Unresolved non-hydrogen bonds: 68 Unresolved non-hydrogen angles: 85 Unresolved non-hydrogen dihedrals: 53 Unresolved non-hydrogen chiralities: 5 Planarities with less than four sites: {'GLU:plan': 2, 'HIS:plan': 1, 'ASN:plan1': 2, 'ASP:plan': 2, 'ARG:plan': 4} Unresolved non-hydrogen planarities: 45 Chain: "K" Number of atoms: 5718 Number of conformers: 1 Conformer: "" Number of residues, atoms: 772, 5718 Classifications: {'peptide': 772} Incomplete info: {'truncation_to_alanine': 50} Link IDs: {'PTRANS': 33, 'TRANS': 738} Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 202 Unresolved non-hydrogen angles: 255 Unresolved non-hydrogen dihedrals: 165 Unresolved non-hydrogen chiralities: 6 Planarities with less than four sites: {'GLN:plan1': 4, 'TYR:plan': 2, 'ASN:plan1': 2, 'TRP:plan': 1, 'ASP:plan': 11, 'PHE:plan': 1, 'GLU:plan': 9, 'ARG:plan': 7} Unresolved non-hydrogen planarities: 155 Chain: "L" Number of atoms: 1021 Number of conformers: 1 Conformer: "" Number of residues, atoms: 130, 1021 Classifications: {'peptide': 130} Incomplete info: {'truncation_to_alanine': 12} Link IDs: {'PTRANS': 1, 'TRANS': 128} Chain breaks: 2 Unresolved non-hydrogen bonds: 37 Unresolved non-hydrogen angles: 49 Unresolved non-hydrogen dihedrals: 25 Unresolved non-hydrogen chiralities: 4 Planarities with less than four sites: {'GLN:plan1': 1, 'GLU:plan': 2, 'ASN:plan1': 1, 'ASP:plan': 4} Unresolved non-hydrogen planarities: 27 Chain: "M" Number of atoms: 1046 Number of conformers: 1 Conformer: "" Number of residues, atoms: 132, 1046 Classifications: {'peptide': 132} Incomplete info: {'truncation_to_alanine': 5} Link IDs: {'PTRANS': 1, 'TRANS': 130} Chain breaks: 2 Unresolved non-hydrogen bonds: 23 Unresolved non-hydrogen angles: 30 Unresolved non-hydrogen dihedrals: 19 Planarities with less than four sites: {'TYR:plan': 1, 'GLU:plan': 2, 'GLN:plan1': 1, 'ASP:plan': 1} Unresolved non-hydrogen planarities: 22 Chain: "N" Number of atoms: 1141 Number of conformers: 1 Conformer: "" Number of residues, atoms: 145, 1141 Classifications: {'peptide': 145} Incomplete info: {'truncation_to_alanine': 2} Link IDs: {'PTRANS': 3, 'TRANS': 141} Unresolved non-hydrogen bonds: 7 Unresolved non-hydrogen angles: 9 Unresolved non-hydrogen dihedrals: 5 Planarities with less than four sites: {'GLU:plan': 1, 'ASP:plan': 1} Unresolved non-hydrogen planarities: 7 Chain: "O" Number of atoms: 3441 Number of conformers: 1 Conformer: "" Number of residues, atoms: 460, 3441 Classifications: {'peptide': 460} Incomplete info: {'truncation_to_alanine': 36} Link IDs: {'PTRANS': 14, 'TRANS': 445} Chain breaks: 1 Unresolved non-hydrogen bonds: 124 Unresolved non-hydrogen angles: 153 Unresolved non-hydrogen dihedrals: 95 Unresolved non-hydrogen chiralities: 5 Planarities with less than four sites: {'GLN:plan1': 6, 'GLU:plan': 8, 'ARG:plan': 1, 'ASP:plan': 9} Unresolved non-hydrogen planarities: 88 Chain: "P" Number of atoms: 1351 Number of conformers: 1 Conformer: "" Number of residues, atoms: 181, 1351 Classifications: {'peptide': 181} Incomplete info: {'truncation_to_alanine': 19} Link IDs: {'PTRANS': 6, 'TRANS': 174} Unresolved non-hydrogen bonds: 72 Unresolved non-hydrogen angles: 89 Unresolved non-hydrogen dihedrals: 57 Unresolved non-hydrogen chiralities: 5 Planarities with less than four sites: {'GLU:plan': 3, 'HIS:plan': 1, 'ARG:plan': 4, 'ASN:plan1': 1, 'ASP:plan': 2} Unresolved non-hydrogen planarities: 46 Chain: "Q" Number of atoms: 3389 Number of conformers: 1 Conformer: "" Number of residues, atoms: 460, 3389 Classifications: {'peptide': 460} Incomplete info: {'truncation_to_alanine': 51} Link IDs: {'PTRANS': 14, 'TRANS': 445} Chain breaks: 1 Unresolved non-hydrogen bonds: 177 Unresolved non-hydrogen angles: 218 Unresolved non-hydrogen dihedrals: 138 Unresolved non-hydrogen chiralities: 5 Planarities with less than four sites: {'GLN:plan1': 5, 'ASP:plan': 15, 'ASN:plan1': 1, 'HIS:plan': 1, 'GLU:plan': 11, 'ARG:plan': 2} Unresolved non-hydrogen planarities: 127 Chain: "R" Number of atoms: 1355 Number of conformers: 1 Conformer: "" Number of residues, atoms: 181, 1355 Classifications: {'peptide': 181} Incomplete info: {'truncation_to_alanine': 18} Link IDs: {'PTRANS': 6, 'TRANS': 174} Unresolved non-hydrogen bonds: 68 Unresolved non-hydrogen angles: 85 Unresolved non-hydrogen dihedrals: 53 Unresolved non-hydrogen chiralities: 5 Planarities with less than four sites: {'GLU:plan': 2, 'HIS:plan': 1, 'ASN:plan1': 2, 'ASP:plan': 2, 'ARG:plan': 4} Unresolved non-hydrogen planarities: 45 Chain: "S" Number of atoms: 5718 Number of conformers: 1 Conformer: "" Number of residues, atoms: 772, 5718 Classifications: {'peptide': 772} Incomplete info: {'truncation_to_alanine': 50} Link IDs: {'PTRANS': 33, 'TRANS': 738} Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 202 Unresolved non-hydrogen angles: 255 Unresolved non-hydrogen dihedrals: 165 Unresolved non-hydrogen chiralities: 6 Planarities with less than four sites: {'GLN:plan1': 4, 'TYR:plan': 2, 'ASN:plan1': 2, 'TRP:plan': 1, 'ASP:plan': 11, 'PHE:plan': 1, 'GLU:plan': 9, 'ARG:plan': 7} Unresolved non-hydrogen planarities: 155 Chain: "T" Number of atoms: 1021 Number of conformers: 1 Conformer: "" Number of residues, atoms: 130, 1021 Classifications: {'peptide': 130} Incomplete info: {'truncation_to_alanine': 12} Link IDs: {'PTRANS': 1, 'TRANS': 128} Chain breaks: 2 Unresolved non-hydrogen bonds: 37 Unresolved non-hydrogen angles: 49 Unresolved non-hydrogen dihedrals: 25 Unresolved non-hydrogen chiralities: 4 Planarities with less than four sites: {'GLN:plan1': 1, 'GLU:plan': 2, 'ASN:plan1': 1, 'ASP:plan': 4} Unresolved non-hydrogen planarities: 27 Chain: "U" Number of atoms: 1046 Number of conformers: 1 Conformer: "" Number of residues, atoms: 132, 1046 Classifications: {'peptide': 132} Incomplete info: {'truncation_to_alanine': 5} Link IDs: {'PTRANS': 1, 'TRANS': 130} Chain breaks: 2 Unresolved non-hydrogen bonds: 23 Unresolved non-hydrogen angles: 30 Unresolved non-hydrogen dihedrals: 19 Planarities with less than four sites: {'TYR:plan': 1, 'GLU:plan': 2, 'GLN:plan1': 1, 'ASP:plan': 1} Unresolved non-hydrogen planarities: 22 Chain: "V" Number of atoms: 1141 Number of conformers: 1 Conformer: "" Number of residues, atoms: 145, 1141 Classifications: {'peptide': 145} Incomplete info: {'truncation_to_alanine': 2} Link IDs: {'PTRANS': 3, 'TRANS': 141} Unresolved non-hydrogen bonds: 7 Unresolved non-hydrogen angles: 9 Unresolved non-hydrogen dihedrals: 5 Planarities with less than four sites: {'GLU:plan': 1, 'ASP:plan': 1} Unresolved non-hydrogen planarities: 7 Chain: "W" Number of atoms: 3441 Number of conformers: 1 Conformer: "" Number of residues, atoms: 460, 3441 Classifications: {'peptide': 460} Incomplete info: {'truncation_to_alanine': 36} Link IDs: {'PTRANS': 14, 'TRANS': 445} Chain breaks: 1 Unresolved non-hydrogen bonds: 124 Unresolved non-hydrogen angles: 153 Unresolved non-hydrogen dihedrals: 95 Unresolved non-hydrogen chiralities: 5 Planarities with less than four sites: {'GLN:plan1': 6, 'GLU:plan': 8, 'ARG:plan': 1, 'ASP:plan': 9} Unresolved non-hydrogen planarities: 88 Chain: "X" Number of atoms: 1351 Number of conformers: 1 Conformer: "" Number of residues, atoms: 181, 1351 Classifications: {'peptide': 181} Incomplete info: {'truncation_to_alanine': 19} Link IDs: {'PTRANS': 6, 'TRANS': 174} Unresolved non-hydrogen bonds: 72 Unresolved non-hydrogen angles: 89 Unresolved non-hydrogen dihedrals: 57 Unresolved non-hydrogen chiralities: 5 Planarities with less than four sites: {'GLU:plan': 3, 'HIS:plan': 1, 'ARG:plan': 4, 'ASN:plan1': 1, 'ASP:plan': 2} Unresolved non-hydrogen planarities: 46 Chain: "Y" Number of atoms: 3389 Number of conformers: 1 Conformer: "" Number of residues, atoms: 460, 3389 Classifications: {'peptide': 460} Incomplete info: {'truncation_to_alanine': 51} Link IDs: {'PTRANS': 14, 'TRANS': 445} Chain breaks: 1 Unresolved non-hydrogen bonds: 177 Unresolved non-hydrogen angles: 218 Unresolved non-hydrogen dihedrals: 138 Unresolved non-hydrogen chiralities: 5 Planarities with less than four sites: {'GLN:plan1': 5, 'ASP:plan': 15, 'ASN:plan1': 1, 'HIS:plan': 1, 'GLU:plan': 11, 'ARG:plan': 2} Unresolved non-hydrogen planarities: 127 Chain: "Z" Number of atoms: 1355 Number of conformers: 1 Conformer: "" Number of residues, atoms: 181, 1355 Classifications: {'peptide': 181} Incomplete info: {'truncation_to_alanine': 18} Link IDs: {'PTRANS': 6, 'TRANS': 174} Unresolved non-hydrogen bonds: 68 Unresolved non-hydrogen angles: 85 Unresolved non-hydrogen dihedrals: 53 Unresolved non-hydrogen chiralities: 5 Planarities with less than four sites: {'GLU:plan': 2, 'HIS:plan': 1, 'ASN:plan1': 2, 'ASP:plan': 2, 'ARG:plan': 4} Unresolved non-hydrogen planarities: 45 Chain: "0" Number of atoms: 5718 Number of conformers: 1 Conformer: "" Number of residues, atoms: 772, 5718 Classifications: {'peptide': 772} Incomplete info: {'truncation_to_alanine': 50} Link IDs: {'PTRANS': 33, 'TRANS': 738} Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 202 Unresolved non-hydrogen angles: 255 Unresolved non-hydrogen dihedrals: 165 Unresolved non-hydrogen chiralities: 6 Planarities with less than four sites: {'GLN:plan1': 4, 'TYR:plan': 2, 'ASN:plan1': 2, 'TRP:plan': 1, 'ASP:plan': 11, 'PHE:plan': 1, 'GLU:plan': 9, 'ARG:plan': 7} Unresolved non-hydrogen planarities: 155 Chain: "1" Number of atoms: 1021 Number of conformers: 1 Conformer: "" Number of residues, atoms: 130, 1021 Classifications: {'peptide': 130} Incomplete info: {'truncation_to_alanine': 12} Link IDs: {'PTRANS': 1, 'TRANS': 128} Chain breaks: 2 Unresolved non-hydrogen bonds: 37 Unresolved non-hydrogen angles: 49 Unresolved non-hydrogen dihedrals: 25 Unresolved non-hydrogen chiralities: 4 Planarities with less than four sites: {'GLN:plan1': 1, 'GLU:plan': 2, 'ASN:plan1': 1, 'ASP:plan': 4} Unresolved non-hydrogen planarities: 27 Chain: "2" Number of atoms: 1046 Number of conformers: 1 Conformer: "" Number of residues, atoms: 132, 1046 Classifications: {'peptide': 132} Incomplete info: {'truncation_to_alanine': 5} Link IDs: {'PTRANS': 1, 'TRANS': 130} Chain breaks: 2 Unresolved non-hydrogen bonds: 23 Unresolved non-hydrogen angles: 30 Unresolved non-hydrogen dihedrals: 19 Planarities with less than four sites: {'TYR:plan': 1, 'GLU:plan': 2, 'GLN:plan1': 1, 'ASP:plan': 1} Unresolved non-hydrogen planarities: 22 Chain: "3" Number of atoms: 1141 Number of conformers: 1 Conformer: "" Number of residues, atoms: 145, 1141 Classifications: {'peptide': 145} Incomplete info: {'truncation_to_alanine': 2} Link IDs: {'PTRANS': 3, 'TRANS': 141} Unresolved non-hydrogen bonds: 7 Unresolved non-hydrogen angles: 9 Unresolved non-hydrogen dihedrals: 5 Planarities with less than four sites: {'GLU:plan': 1, 'ASP:plan': 1} Unresolved non-hydrogen planarities: 7 Chain: "4" Number of atoms: 3441 Number of conformers: 1 Conformer: "" Number of residues, atoms: 460, 3441 Classifications: {'peptide': 460} Incomplete info: {'truncation_to_alanine': 36} Link IDs: {'PTRANS': 14, 'TRANS': 445} Chain breaks: 1 Unresolved non-hydrogen bonds: 124 Unresolved non-hydrogen angles: 153 Unresolved non-hydrogen dihedrals: 95 Unresolved non-hydrogen chiralities: 5 Planarities with less than four sites: {'GLN:plan1': 6, 'GLU:plan': 8, 'ARG:plan': 1, 'ASP:plan': 9} Unresolved non-hydrogen planarities: 88 Chain: "5" Number of atoms: 1351 Number of conformers: 1 Conformer: "" Number of residues, atoms: 181, 1351 Classifications: {'peptide': 181} Incomplete info: {'truncation_to_alanine': 19} Link IDs: {'PTRANS': 6, 'TRANS': 174} Unresolved non-hydrogen bonds: 72 Unresolved non-hydrogen angles: 89 Unresolved non-hydrogen dihedrals: 57 Unresolved non-hydrogen chiralities: 5 Planarities with less than four sites: {'GLU:plan': 3, 'HIS:plan': 1, 'ARG:plan': 4, 'ASN:plan1': 1, 'ASP:plan': 2} Unresolved non-hydrogen planarities: 46 Chain: "6" Number of atoms: 3389 Number of conformers: 1 Conformer: "" Number of residues, atoms: 460, 3389 Classifications: {'peptide': 460} Incomplete info: {'truncation_to_alanine': 51} Link IDs: {'PTRANS': 14, 'TRANS': 445} Chain breaks: 1 Unresolved non-hydrogen bonds: 177 Unresolved non-hydrogen angles: 218 Unresolved non-hydrogen dihedrals: 138 Unresolved non-hydrogen chiralities: 5 Planarities with less than four sites: {'GLN:plan1': 5, 'ASP:plan': 15, 'ASN:plan1': 1, 'HIS:plan': 1, 'GLU:plan': 11, 'ARG:plan': 2} Unresolved non-hydrogen planarities: 127 Chain: "7" Number of atoms: 1355 Number of conformers: 1 Conformer: "" Number of residues, atoms: 181, 1355 Classifications: {'peptide': 181} Incomplete info: {'truncation_to_alanine': 18} Link IDs: {'PTRANS': 6, 'TRANS': 174} Unresolved non-hydrogen bonds: 68 Unresolved non-hydrogen angles: 85 Unresolved non-hydrogen dihedrals: 53 Unresolved non-hydrogen chiralities: 5 Planarities with less than four sites: {'GLU:plan': 2, 'HIS:plan': 1, 'ASN:plan1': 2, 'ASP:plan': 2, 'ARG:plan': 4} Unresolved non-hydrogen planarities: 45 Chain: "8" Number of atoms: 5718 Number of conformers: 1 Conformer: "" Number of residues, atoms: 772, 5718 Classifications: {'peptide': 772} Incomplete info: {'truncation_to_alanine': 50} Link IDs: {'PTRANS': 33, 'TRANS': 738} Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 202 Unresolved non-hydrogen angles: 255 Unresolved non-hydrogen dihedrals: 165 Unresolved non-hydrogen chiralities: 6 Planarities with less than four sites: {'GLN:plan1': 4, 'TYR:plan': 2, 'ASN:plan1': 2, 'TRP:plan': 1, 'ASP:plan': 11, 'PHE:plan': 1, 'GLU:plan': 9, 'ARG:plan': 7} Unresolved non-hydrogen planarities: 155 Chain: "9" Number of atoms: 1021 Number of conformers: 1 Conformer: "" Number of residues, atoms: 130, 1021 Classifications: {'peptide': 130} Incomplete info: {'truncation_to_alanine': 12} Link IDs: {'PTRANS': 1, 'TRANS': 128} Chain breaks: 2 Unresolved non-hydrogen bonds: 37 Unresolved non-hydrogen angles: 49 Unresolved non-hydrogen dihedrals: 25 Unresolved non-hydrogen chiralities: 4 Planarities with less than four sites: {'GLN:plan1': 1, 'GLU:plan': 2, 'ASN:plan1': 1, 'ASP:plan': 4} Unresolved non-hydrogen planarities: 27 Chain: "a" Number of atoms: 1046 Number of conformers: 1 Conformer: "" Number of residues, atoms: 132, 1046 Classifications: {'peptide': 132} Incomplete info: {'truncation_to_alanine': 5} Link IDs: {'PTRANS': 1, 'TRANS': 130} Chain breaks: 2 Unresolved non-hydrogen bonds: 23 Unresolved non-hydrogen angles: 30 Unresolved non-hydrogen dihedrals: 19 Planarities with less than four sites: {'TYR:plan': 1, 'GLU:plan': 2, 'GLN:plan1': 1, 'ASP:plan': 1} Unresolved non-hydrogen planarities: 22 Chain: "b" Number of atoms: 1141 Number of conformers: 1 Conformer: "" Number of residues, atoms: 145, 1141 Classifications: {'peptide': 145} Incomplete info: {'truncation_to_alanine': 2} Link IDs: {'PTRANS': 3, 'TRANS': 141} Unresolved non-hydrogen bonds: 7 Unresolved non-hydrogen angles: 9 Unresolved non-hydrogen dihedrals: 5 Planarities with less than four sites: {'GLU:plan': 1, 'ASP:plan': 1} Unresolved non-hydrogen planarities: 7 Chain: "c" Number of atoms: 3441 Number of conformers: 1 Conformer: "" Number of residues, atoms: 460, 3441 Classifications: {'peptide': 460} Incomplete info: {'truncation_to_alanine': 36} Link IDs: {'PTRANS': 14, 'TRANS': 445} Chain breaks: 1 Unresolved non-hydrogen bonds: 124 Unresolved non-hydrogen angles: 153 Unresolved non-hydrogen dihedrals: 95 Unresolved non-hydrogen chiralities: 5 Planarities with less than four sites: {'GLN:plan1': 6, 'GLU:plan': 8, 'ARG:plan': 1, 'ASP:plan': 9} Unresolved non-hydrogen planarities: 88 Chain: "d" Number of atoms: 1351 Number of conformers: 1 Conformer: "" Number of residues, atoms: 181, 1351 Classifications: {'peptide': 181} Incomplete info: {'truncation_to_alanine': 19} Link IDs: {'PTRANS': 6, 'TRANS': 174} Unresolved non-hydrogen bonds: 72 Unresolved non-hydrogen angles: 89 Unresolved non-hydrogen dihedrals: 57 Unresolved non-hydrogen chiralities: 5 Planarities with less than four sites: {'GLU:plan': 3, 'HIS:plan': 1, 'ARG:plan': 4, 'ASN:plan1': 1, 'ASP:plan': 2} Unresolved non-hydrogen planarities: 46 Chain: "e" Number of atoms: 3389 Number of conformers: 1 Conformer: "" Number of residues, atoms: 460, 3389 Classifications: {'peptide': 460} Incomplete info: {'truncation_to_alanine': 51} Link IDs: {'PTRANS': 14, 'TRANS': 445} Chain breaks: 1 Unresolved non-hydrogen bonds: 177 Unresolved non-hydrogen angles: 218 Unresolved non-hydrogen dihedrals: 138 Unresolved non-hydrogen chiralities: 5 Planarities with less than four sites: {'GLN:plan1': 5, 'ASP:plan': 15, 'ASN:plan1': 1, 'HIS:plan': 1, 'GLU:plan': 11, 'ARG:plan': 2} Unresolved non-hydrogen planarities: 127 Chain: "f" Number of atoms: 1355 Number of conformers: 1 Conformer: "" Number of residues, atoms: 181, 1355 Classifications: {'peptide': 181} Incomplete info: {'truncation_to_alanine': 18} Link IDs: {'PTRANS': 6, 'TRANS': 174} Unresolved non-hydrogen bonds: 68 Unresolved non-hydrogen angles: 85 Unresolved non-hydrogen dihedrals: 53 Unresolved non-hydrogen chiralities: 5 Planarities with less than four sites: {'GLU:plan': 2, 'HIS:plan': 1, 'ASN:plan1': 2, 'ASP:plan': 2, 'ARG:plan': 4} Unresolved non-hydrogen planarities: 45 Chain: "g" Number of atoms: 5718 Number of conformers: 1 Conformer: "" Number of residues, atoms: 772, 5718 Classifications: {'peptide': 772} Incomplete info: {'truncation_to_alanine': 50} Link IDs: {'PTRANS': 33, 'TRANS': 738} Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 202 Unresolved non-hydrogen angles: 255 Unresolved non-hydrogen dihedrals: 165 Unresolved non-hydrogen chiralities: 6 Planarities with less than four sites: {'GLN:plan1': 4, 'TYR:plan': 2, 'ASN:plan1': 2, 'TRP:plan': 1, 'ASP:plan': 11, 'PHE:plan': 1, 'GLU:plan': 9, 'ARG:plan': 7} Unresolved non-hydrogen planarities: 155 Chain: "h" Number of atoms: 1021 Number of conformers: 1 Conformer: "" Number of residues, atoms: 130, 1021 Classifications: {'peptide': 130} Incomplete info: {'truncation_to_alanine': 12} Link IDs: {'PTRANS': 1, 'TRANS': 128} Chain breaks: 2 Unresolved non-hydrogen bonds: 37 Unresolved non-hydrogen angles: 49 Unresolved non-hydrogen dihedrals: 25 Unresolved non-hydrogen chiralities: 4 Planarities with less than four sites: {'GLN:plan1': 1, 'GLU:plan': 2, 'ASN:plan1': 1, 'ASP:plan': 4} Unresolved non-hydrogen planarities: 27 Chain: "i" Number of atoms: 1046 Number of conformers: 1 Conformer: "" Number of residues, atoms: 132, 1046 Classifications: {'peptide': 132} Incomplete info: {'truncation_to_alanine': 5} Link IDs: {'PTRANS': 1, 'TRANS': 130} Chain breaks: 2 Unresolved non-hydrogen bonds: 23 Unresolved non-hydrogen angles: 30 Unresolved non-hydrogen dihedrals: 19 Planarities with less than four sites: {'TYR:plan': 1, 'GLU:plan': 2, 'GLN:plan1': 1, 'ASP:plan': 1} Unresolved non-hydrogen planarities: 22 Chain: "j" Number of atoms: 1141 Number of conformers: 1 Conformer: "" Number of residues, atoms: 145, 1141 Classifications: {'peptide': 145} Incomplete info: {'truncation_to_alanine': 2} Link IDs: {'PTRANS': 3, 'TRANS': 141} Unresolved non-hydrogen bonds: 7 Unresolved non-hydrogen angles: 9 Unresolved non-hydrogen dihedrals: 5 Planarities with less than four sites: {'GLU:plan': 1, 'ASP:plan': 1} Unresolved non-hydrogen planarities: 7 Chain: "k" Number of atoms: 3441 Number of conformers: 1 Conformer: "" Number of residues, atoms: 460, 3441 Classifications: {'peptide': 460} Incomplete info: {'truncation_to_alanine': 36} Link IDs: {'PTRANS': 14, 'TRANS': 445} Chain breaks: 1 Unresolved non-hydrogen bonds: 124 Unresolved non-hydrogen angles: 153 Unresolved non-hydrogen dihedrals: 95 Unresolved non-hydrogen chiralities: 5 Planarities with less than four sites: {'GLN:plan1': 6, 'GLU:plan': 8, 'ARG:plan': 1, 'ASP:plan': 9} Unresolved non-hydrogen planarities: 88 Chain: "l" Number of atoms: 1351 Number of conformers: 1 Conformer: "" Number of residues, atoms: 181, 1351 Classifications: {'peptide': 181} Incomplete info: {'truncation_to_alanine': 19} Link IDs: {'PTRANS': 6, 'TRANS': 174} Unresolved non-hydrogen bonds: 72 Unresolved non-hydrogen angles: 89 Unresolved non-hydrogen dihedrals: 57 Unresolved non-hydrogen chiralities: 5 Planarities with less than four sites: {'GLU:plan': 3, 'HIS:plan': 1, 'ARG:plan': 4, 'ASN:plan1': 1, 'ASP:plan': 2} Unresolved non-hydrogen planarities: 46 Time building chain proxies: 41.91, per 1000 atoms: 0.38 Number of scatterers: 110772 At special positions: 0 Unit cell: (239.904, 220.32, 297.024, 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 336 16.00 O 21396 8.00 N 19092 7.00 C 69948 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: 31.77 Conformation dependent library (CDL) restraints added in 15.0 seconds 29196 Ramachandran restraints generated. 14598 Oldfield, 0 Emsley, 14598 emsley8k and 0 Phi/Psi/2. Adding C-beta torsion restraints... Number of C-beta restraints generated: 27540 Finding SS restraints... Secondary structure from input PDB file: 486 helices and 222 sheets defined 35.6% alpha, 19.5% beta 0 base pairs and 0 stacking pairs defined. Time for finding SS restraints: 9.84 Creating SS restraints... Processing helix chain 'A' and resid 8 through 17 Processing helix chain 'A' and resid 18 through 33 Processing helix chain 'A' and resid 40 through 45 removed outlier: 4.374A pdb=" N GLY A 43 " --> pdb=" O ASP A 40 " (cutoff:3.500A) removed outlier: 3.576A pdb=" N MET A 44 " --> pdb=" O ILE A 41 " (cutoff:3.500A) removed outlier: 3.828A pdb=" N ASP A 45 " --> pdb=" O SER A 42 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 40 through 45' Processing helix chain 'A' and resid 57 through 75 removed outlier: 3.521A pdb=" N VAL A 61 " --> pdb=" O SER A 57 " (cutoff:3.500A) Processing helix chain 'A' and resid 87 through 95 removed outlier: 3.899A pdb=" N ALA A 95 " --> pdb=" O ALA A 91 " (cutoff:3.500A) Processing helix chain 'A' and resid 102 through 116 Processing helix chain 'A' and resid 117 through 120 Processing helix chain 'A' and resid 122 through 137 removed outlier: 3.521A pdb=" N ALA A 126 " --> pdb=" O ASP A 122 " (cutoff:3.500A) Processing helix chain 'A' and resid 181 through 183 No H-bonds generated for 'chain 'A' and resid 181 through 183' Processing helix chain 'A' and resid 184 through 191 Processing helix chain 'A' and resid 255 through 258 Processing helix chain 'A' and resid 259 through 282 Processing helix chain 'A' and resid 290 through 292 No H-bonds generated for 'chain 'A' and resid 290 through 292' Processing helix chain 'A' and resid 294 through 299 Processing helix chain 'A' and resid 329 through 348 Processing helix chain 'A' and resid 377 through 400 removed outlier: 4.078A pdb=" N SER A 381 " --> pdb=" O GLY A 377 " (cutoff:3.500A) removed outlier: 6.349A pdb=" N LEU A 388 " --> pdb=" O SER A 384 " (cutoff:3.500A) removed outlier: 4.531A pdb=" N ARG A 389 " --> pdb=" O ASP A 385 " (cutoff:3.500A) Processing helix chain 'A' and resid 401 through 408 removed outlier: 4.299A pdb=" N ALA A 405 " --> pdb=" O PRO A 401 " (cutoff:3.500A) removed outlier: 3.673A pdb=" N MET A 406 " --> pdb=" O PRO A 402 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N THR A 408 " --> pdb=" O ARG A 404 " (cutoff:3.500A) Processing helix chain 'A' and resid 420 through 423 Processing helix chain 'A' and resid 424 through 450 Proline residue: A 444 - end of helix removed outlier: 3.627A pdb=" N THR A 450 " --> pdb=" O LEU A 446 " (cutoff:3.500A) Processing helix chain 'A' and resid 454 through 467 Processing helix chain 'A' and resid 469 through 473 Processing helix chain 'A' and resid 476 through 486 Processing helix chain 'C' and resid 3 through 14 Processing helix chain 'C' and resid 29 through 46 removed outlier: 4.387A pdb=" N THR C 46 " --> pdb=" O GLY C 42 " (cutoff:3.500A) Processing helix chain 'C' and resid 118 through 138 Processing helix chain 'C' and resid 141 through 166 Processing helix chain 'C' and resid 173 through 182 removed outlier: 3.888A pdb=" N ARG C 177 " --> pdb=" O THR C 173 " (cutoff:3.500A) Processing helix chain 'E' and resid 105 through 109 Processing helix chain 'E' and resid 146 through 148 No H-bonds generated for 'chain 'E' and resid 146 through 148' Processing helix chain 'E' and resid 190 through 193 Processing helix chain 'E' and resid 194 through 210 removed outlier: 3.589A pdb=" N GLY E 210 " --> pdb=" O LEU E 206 " (cutoff:3.500A) Processing helix chain 'E' and resid 212 through 214 No H-bonds generated for 'chain 'E' and resid 212 through 214' Processing helix chain 'E' and resid 252 through 256 Processing helix chain 'E' and resid 334 through 339 Processing helix chain 'E' and resid 487 through 491 removed outlier: 3.998A pdb=" N TYR E 490 " --> pdb=" O LEU E 487 " (cutoff:3.500A) removed outlier: 4.684A pdb=" N ILE E 491 " --> pdb=" O PRO E 488 " (cutoff:3.500A) No H-bonds generated for 'chain 'E' and resid 487 through 491' Processing helix chain 'E' and resid 527 through 529 No H-bonds generated for 'chain 'E' and resid 527 through 529' Processing helix chain 'E' and resid 604 through 608 Processing helix chain 'E' and resid 612 through 614 No H-bonds generated for 'chain 'E' and resid 612 through 614' Processing helix chain 'E' and resid 704 through 707 Processing helix chain 'G' and resid 25 through 27 No H-bonds generated for 'chain 'G' and resid 25 through 27' Processing helix chain 'G' and resid 39 through 43 removed outlier: 3.547A pdb=" N TYR G 43 " --> pdb=" O ASN G 40 " (cutoff:3.500A) Processing helix chain 'G' and resid 85 through 103 removed outlier: 3.550A pdb=" N PHE G 96 " --> pdb=" O GLN G 92 " (cutoff:3.500A) Processing helix chain 'G' and resid 137 through 146 removed outlier: 3.987A pdb=" N LEU G 141 " --> pdb=" O ASN G 137 " (cutoff:3.500A) Processing helix chain 'H' and resid 25 through 27 No H-bonds generated for 'chain 'H' and resid 25 through 27' Processing helix chain 'H' and resid 39 through 41 No H-bonds generated for 'chain 'H' and resid 39 through 41' Processing helix chain 'H' and resid 86 through 106 removed outlier: 3.745A pdb=" N ASP H 90 " --> pdb=" O ARG H 86 " (cutoff:3.500A) removed outlier: 3.734A pdb=" N PHE H 96 " --> pdb=" O GLN H 92 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N GLY H 106 " --> pdb=" O GLU H 102 " (cutoff:3.500A) Processing helix chain 'H' and resid 137 through 145 removed outlier: 3.553A pdb=" N LEU H 141 " --> pdb=" O ASN H 137 " (cutoff:3.500A) removed outlier: 3.954A pdb=" N SER H 143 " --> pdb=" O GLY H 139 " (cutoff:3.500A) Processing helix chain 'F' and resid 25 through 29 Processing helix chain 'F' and resid 39 through 41 No H-bonds generated for 'chain 'F' and resid 39 through 41' Processing helix chain 'F' and resid 77 through 81 removed outlier: 3.673A pdb=" N GLU F 80 " --> pdb=" O MET F 77 " (cutoff:3.500A) removed outlier: 3.693A pdb=" N GLY F 81 " --> pdb=" O PHE F 78 " (cutoff:3.500A) No H-bonds generated for 'chain 'F' and resid 77 through 81' Processing helix chain 'F' and resid 85 through 106 removed outlier: 3.633A pdb=" N PHE F 96 " --> pdb=" O GLN F 92 " (cutoff:3.500A) Processing helix chain 'F' and resid 137 through 148 removed outlier: 3.702A pdb=" N LEU F 141 " --> pdb=" O ASN F 137 " (cutoff:3.500A) removed outlier: 4.016A pdb=" N SER F 143 " --> pdb=" O GLY F 139 " (cutoff:3.500A) removed outlier: 3.692A pdb=" N VAL F 144 " --> pdb=" O GLN F 140 " (cutoff:3.500A) Processing helix chain 'B' and resid 8 through 17 Processing helix chain 'B' and resid 18 through 32 Processing helix chain 'B' and resid 41 through 45 removed outlier: 3.675A pdb=" N MET B 44 " --> pdb=" O ILE B 41 " (cutoff:3.500A) removed outlier: 4.069A pdb=" N ASP B 45 " --> pdb=" O SER B 42 " (cutoff:3.500A) No H-bonds generated for 'chain 'B' and resid 41 through 45' Processing helix chain 'B' and resid 57 through 75 removed outlier: 3.912A pdb=" N VAL B 61 " --> pdb=" O SER B 57 " (cutoff:3.500A) Processing helix chain 'B' and resid 87 through 96 Processing helix chain 'B' and resid 102 through 117 removed outlier: 3.636A pdb=" N LEU B 117 " --> pdb=" O SER B 113 " (cutoff:3.500A) Processing helix chain 'B' and resid 118 through 120 No H-bonds generated for 'chain 'B' and resid 118 through 120' Processing helix chain 'B' and resid 122 through 137 Processing helix chain 'B' and resid 155 through 157 No H-bonds generated for 'chain 'B' and resid 155 through 157' Processing helix chain 'B' and resid 181 through 183 No H-bonds generated for 'chain 'B' and resid 181 through 183' Processing helix chain 'B' and resid 184 through 191 Processing helix chain 'B' and resid 232 through 236 removed outlier: 3.668A pdb=" N CYS B 236 " --> pdb=" O ILE B 233 " (cutoff:3.500A) Processing helix chain 'B' and resid 255 through 258 Processing helix chain 'B' and resid 259 through 282 Processing helix chain 'B' and resid 294 through 299 Processing helix chain 'B' and resid 324 through 328 removed outlier: 3.738A pdb=" N ASP B 327 " --> pdb=" O ASN B 324 " (cutoff:3.500A) removed outlier: 3.849A pdb=" N ARG B 328 " --> pdb=" O GLY B 325 " (cutoff:3.500A) No H-bonds generated for 'chain 'B' and resid 324 through 328' Processing helix chain 'B' and resid 329 through 348 Processing helix chain 'B' and resid 377 through 400 removed outlier: 4.523A pdb=" N SER B 381 " --> pdb=" O GLY B 377 " (cutoff:3.500A) removed outlier: 4.239A pdb=" N LEU B 388 " --> pdb=" O SER B 384 " (cutoff:3.500A) removed outlier: 3.954A pdb=" N ARG B 389 " --> pdb=" O ASP B 385 " (cutoff:3.500A) Processing helix chain 'B' and resid 403 through 408 removed outlier: 4.247A pdb=" N PHE B 407 " --> pdb=" O MET B 403 " (cutoff:3.500A) removed outlier: 3.565A pdb=" N THR B 408 " --> pdb=" O ARG B 404 " (cutoff:3.500A) No H-bonds generated for 'chain 'B' and resid 403 through 408' Processing helix chain 'B' and resid 420 through 423 removed outlier: 3.530A pdb=" N LEU B 423 " --> pdb=" O THR B 420 " (cutoff:3.500A) No H-bonds generated for 'chain 'B' and resid 420 through 423' Processing helix chain 'B' and resid 424 through 450 Proline residue: B 444 - end of helix Processing helix chain 'B' and resid 454 through 467 Processing helix chain 'B' and resid 470 through 474 removed outlier: 3.853A pdb=" N MET B 474 " --> pdb=" O SER B 471 " (cutoff:3.500A) Processing helix chain 'B' and resid 476 through 486 removed outlier: 3.515A pdb=" N GLN B 482 " --> pdb=" O GLU B 478 " (cutoff:3.500A) Processing helix chain 'D' and resid 3 through 15 Processing helix chain 'D' and resid 26 through 44 removed outlier: 3.520A pdb=" N GLY D 30 " --> pdb=" O ASN D 26 " (cutoff:3.500A) removed outlier: 3.579A pdb=" N LEU D 31 " --> pdb=" O PRO D 27 " (cutoff:3.500A) Processing helix chain 'D' and resid 118 through 139 Processing helix chain 'D' and resid 141 through 166 Processing helix chain 'D' and resid 173 through 180 removed outlier: 3.653A pdb=" N ARG D 177 " --> pdb=" O THR D 173 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N ARG D 180 " --> pdb=" O ALA D 176 " (cutoff:3.500A) Processing helix chain 'I' and resid 8 through 17 Processing helix chain 'I' and resid 18 through 33 Processing helix chain 'I' and resid 40 through 45 removed outlier: 4.374A pdb=" N GLY I 43 " --> pdb=" O ASP I 40 " (cutoff:3.500A) removed outlier: 3.576A pdb=" N MET I 44 " --> pdb=" O ILE I 41 " (cutoff:3.500A) removed outlier: 3.828A pdb=" N ASP I 45 " --> pdb=" O SER I 42 " (cutoff:3.500A) No H-bonds generated for 'chain 'I' and resid 40 through 45' Processing helix chain 'I' and resid 57 through 75 removed outlier: 3.521A pdb=" N VAL I 61 " --> pdb=" O SER I 57 " (cutoff:3.500A) Processing helix chain 'I' and resid 87 through 95 removed outlier: 3.899A pdb=" N ALA I 95 " --> pdb=" O ALA I 91 " (cutoff:3.500A) Processing helix chain 'I' and resid 102 through 116 Processing helix chain 'I' and resid 117 through 120 Processing helix chain 'I' and resid 122 through 137 removed outlier: 3.520A pdb=" N ALA I 126 " --> pdb=" O ASP I 122 " (cutoff:3.500A) Processing helix chain 'I' and resid 181 through 183 No H-bonds generated for 'chain 'I' and resid 181 through 183' Processing helix chain 'I' and resid 184 through 191 Processing helix chain 'I' and resid 255 through 258 Processing helix chain 'I' and resid 259 through 282 Processing helix chain 'I' and resid 290 through 292 No H-bonds generated for 'chain 'I' and resid 290 through 292' Processing helix chain 'I' and resid 294 through 299 Processing helix chain 'I' and resid 329 through 348 Processing helix chain 'I' and resid 377 through 400 removed outlier: 4.077A pdb=" N SER I 381 " --> pdb=" O GLY I 377 " (cutoff:3.500A) removed outlier: 6.350A pdb=" N LEU I 388 " --> pdb=" O SER I 384 " (cutoff:3.500A) removed outlier: 4.531A pdb=" N ARG I 389 " --> pdb=" O ASP I 385 " (cutoff:3.500A) Processing helix chain 'I' and resid 401 through 408 removed outlier: 4.298A pdb=" N ALA I 405 " --> pdb=" O PRO I 401 " (cutoff:3.500A) removed outlier: 3.673A pdb=" N MET I 406 " --> pdb=" O PRO I 402 " (cutoff:3.500A) removed outlier: 3.712A pdb=" N THR I 408 " --> pdb=" O ARG I 404 " (cutoff:3.500A) Processing helix chain 'I' and resid 420 through 423 Processing helix chain 'I' and resid 424 through 450 Proline residue: I 444 - end of helix removed outlier: 3.627A pdb=" N THR I 450 " --> pdb=" O LEU I 446 " (cutoff:3.500A) Processing helix chain 'I' and resid 454 through 467 Processing helix chain 'I' and resid 469 through 473 Processing helix chain 'I' and resid 476 through 486 Processing helix chain 'J' and resid 3 through 14 Processing helix chain 'J' and resid 29 through 46 removed outlier: 4.387A pdb=" N THR J 46 " --> pdb=" O GLY J 42 " (cutoff:3.500A) Processing helix chain 'J' and resid 118 through 138 Processing helix chain 'J' and resid 141 through 166 Processing helix chain 'J' and resid 173 through 182 removed outlier: 3.887A pdb=" N ARG J 177 " --> pdb=" O THR J 173 " (cutoff:3.500A) Processing helix chain 'K' and resid 105 through 109 Processing helix chain 'K' and resid 146 through 148 No H-bonds generated for 'chain 'K' and resid 146 through 148' Processing helix chain 'K' and resid 190 through 193 Processing helix chain 'K' and resid 194 through 210 removed outlier: 3.589A pdb=" N GLY K 210 " --> pdb=" O LEU K 206 " (cutoff:3.500A) Processing helix chain 'K' and resid 212 through 214 No H-bonds generated for 'chain 'K' and resid 212 through 214' Processing helix chain 'K' and resid 252 through 256 Processing helix chain 'K' and resid 334 through 339 Processing helix chain 'K' and resid 487 through 491 removed outlier: 3.999A pdb=" N TYR K 490 " --> pdb=" O LEU K 487 " (cutoff:3.500A) removed outlier: 4.684A pdb=" N ILE K 491 " --> pdb=" O PRO K 488 " (cutoff:3.500A) No H-bonds generated for 'chain 'K' and resid 487 through 491' Processing helix chain 'K' and resid 527 through 529 No H-bonds generated for 'chain 'K' and resid 527 through 529' Processing helix chain 'K' and resid 604 through 608 Processing helix chain 'K' and resid 612 through 614 No H-bonds generated for 'chain 'K' and resid 612 through 614' Processing helix chain 'K' and resid 704 through 707 Processing helix chain 'L' and resid 25 through 27 No H-bonds generated for 'chain 'L' and resid 25 through 27' Processing helix chain 'L' and resid 39 through 43 removed outlier: 3.547A pdb=" N TYR L 43 " --> pdb=" O ASN L 40 " (cutoff:3.500A) Processing helix chain 'L' and resid 85 through 103 removed outlier: 3.549A pdb=" N PHE L 96 " --> pdb=" O GLN L 92 " (cutoff:3.500A) Processing helix chain 'L' and resid 137 through 146 removed outlier: 3.987A pdb=" N LEU L 141 " --> pdb=" O ASN L 137 " (cutoff:3.500A) Processing helix chain 'M' and resid 25 through 27 No H-bonds generated for 'chain 'M' and resid 25 through 27' Processing helix chain 'M' and resid 39 through 41 No H-bonds generated for 'chain 'M' and resid 39 through 41' Processing helix chain 'M' and resid 86 through 106 removed outlier: 3.745A pdb=" N ASP M 90 " --> pdb=" O ARG M 86 " (cutoff:3.500A) removed outlier: 3.735A pdb=" N PHE M 96 " --> pdb=" O GLN M 92 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N GLY M 106 " --> pdb=" O GLU M 102 " (cutoff:3.500A) Processing helix chain 'M' and resid 137 through 145 removed outlier: 3.553A pdb=" N LEU M 141 " --> pdb=" O ASN M 137 " (cutoff:3.500A) removed outlier: 3.954A pdb=" N SER M 143 " --> pdb=" O GLY M 139 " (cutoff:3.500A) Processing helix chain 'N' and resid 25 through 29 Processing helix chain 'N' and resid 39 through 41 No H-bonds generated for 'chain 'N' and resid 39 through 41' Processing helix chain 'N' and resid 77 through 81 removed outlier: 3.673A pdb=" N GLU N 80 " --> pdb=" O MET N 77 " (cutoff:3.500A) removed outlier: 3.693A pdb=" N GLY N 81 " --> pdb=" O PHE N 78 " (cutoff:3.500A) No H-bonds generated for 'chain 'N' and resid 77 through 81' Processing helix chain 'N' and resid 85 through 106 removed outlier: 3.632A pdb=" N PHE N 96 " --> pdb=" O GLN N 92 " (cutoff:3.500A) Processing helix chain 'N' and resid 137 through 148 removed outlier: 3.702A pdb=" N LEU N 141 " --> pdb=" O ASN N 137 " (cutoff:3.500A) removed outlier: 4.016A pdb=" N SER N 143 " --> pdb=" O GLY N 139 " (cutoff:3.500A) removed outlier: 3.692A pdb=" N VAL N 144 " --> pdb=" O GLN N 140 " (cutoff:3.500A) Processing helix chain 'O' and resid 8 through 17 Processing helix chain 'O' and resid 18 through 32 Processing helix chain 'O' and resid 41 through 45 removed outlier: 3.675A pdb=" N MET O 44 " --> pdb=" O ILE O 41 " (cutoff:3.500A) removed outlier: 4.069A pdb=" N ASP O 45 " --> pdb=" O SER O 42 " (cutoff:3.500A) No H-bonds generated for 'chain 'O' and resid 41 through 45' Processing helix chain 'O' and resid 57 through 75 removed outlier: 3.912A pdb=" N VAL O 61 " --> pdb=" O SER O 57 " (cutoff:3.500A) Processing helix chain 'O' and resid 87 through 96 Processing helix chain 'O' and resid 102 through 117 removed outlier: 3.636A pdb=" N LEU O 117 " --> pdb=" O SER O 113 " (cutoff:3.500A) Processing helix chain 'O' and resid 118 through 120 No H-bonds generated for 'chain 'O' and resid 118 through 120' Processing helix chain 'O' and resid 122 through 137 Processing helix chain 'O' and resid 155 through 157 No H-bonds generated for 'chain 'O' and resid 155 through 157' Processing helix chain 'O' and resid 181 through 183 No H-bonds generated for 'chain 'O' and resid 181 through 183' Processing helix chain 'O' and resid 184 through 191 Processing helix chain 'O' and resid 232 through 236 removed outlier: 3.668A pdb=" N CYS O 236 " --> pdb=" O ILE O 233 " (cutoff:3.500A) Processing helix chain 'O' and resid 255 through 258 Processing helix chain 'O' and resid 259 through 282 Processing helix chain 'O' and resid 294 through 299 Processing helix chain 'O' and resid 324 through 328 removed outlier: 3.738A pdb=" N ASP O 327 " --> pdb=" O ASN O 324 " (cutoff:3.500A) removed outlier: 3.849A pdb=" N ARG O 328 " --> pdb=" O GLY O 325 " (cutoff:3.500A) No H-bonds generated for 'chain 'O' and resid 324 through 328' Processing helix chain 'O' and resid 329 through 348 Processing helix chain 'O' and resid 377 through 400 removed outlier: 4.523A pdb=" N SER O 381 " --> pdb=" O GLY O 377 " (cutoff:3.500A) removed outlier: 4.239A pdb=" N LEU O 388 " --> pdb=" O SER O 384 " (cutoff:3.500A) removed outlier: 3.954A pdb=" N ARG O 389 " --> pdb=" O ASP O 385 " (cutoff:3.500A) Processing helix chain 'O' and resid 403 through 408 removed outlier: 4.247A pdb=" N PHE O 407 " --> pdb=" O MET O 403 " (cutoff:3.500A) removed outlier: 3.565A pdb=" N THR O 408 " --> pdb=" O ARG O 404 " (cutoff:3.500A) No H-bonds generated for 'chain 'O' and resid 403 through 408' Processing helix chain 'O' and resid 420 through 423 removed outlier: 3.531A pdb=" N LEU O 423 " --> pdb=" O THR O 420 " (cutoff:3.500A) No H-bonds generated for 'chain 'O' and resid 420 through 423' Processing helix chain 'O' and resid 424 through 450 Proline residue: O 444 - end of helix Processing helix chain 'O' and resid 454 through 467 Processing helix chain 'O' and resid 470 through 474 removed outlier: 3.852A pdb=" N MET O 474 " --> pdb=" O SER O 471 " (cutoff:3.500A) Processing helix chain 'O' and resid 476 through 486 removed outlier: 3.515A pdb=" N GLN O 482 " --> pdb=" O GLU O 478 " (cutoff:3.500A) Processing helix chain 'P' and resid 3 through 15 Processing helix chain 'P' and resid 26 through 44 removed outlier: 3.520A pdb=" N GLY P 30 " --> pdb=" O ASN P 26 " (cutoff:3.500A) removed outlier: 3.579A pdb=" N LEU P 31 " --> pdb=" O PRO P 27 " (cutoff:3.500A) Processing helix chain 'P' and resid 118 through 139 Processing helix chain 'P' and resid 141 through 166 Processing helix chain 'P' and resid 173 through 180 removed outlier: 3.653A pdb=" N ARG P 177 " --> pdb=" O THR P 173 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N ARG P 180 " --> pdb=" O ALA P 176 " (cutoff:3.500A) Processing helix chain 'Q' and resid 8 through 17 Processing helix chain 'Q' and resid 18 through 33 Processing helix chain 'Q' and resid 40 through 45 removed outlier: 4.374A pdb=" N GLY Q 43 " --> pdb=" O ASP Q 40 " (cutoff:3.500A) removed outlier: 3.576A pdb=" N MET Q 44 " --> pdb=" O ILE Q 41 " (cutoff:3.500A) removed outlier: 3.829A pdb=" N ASP Q 45 " --> pdb=" O SER Q 42 " (cutoff:3.500A) No H-bonds generated for 'chain 'Q' and resid 40 through 45' Processing helix chain 'Q' and resid 57 through 75 removed outlier: 3.520A pdb=" N VAL Q 61 " --> pdb=" O SER Q 57 " (cutoff:3.500A) Processing helix chain 'Q' and resid 87 through 95 removed outlier: 3.899A pdb=" N ALA Q 95 " --> pdb=" O ALA Q 91 " (cutoff:3.500A) Processing helix chain 'Q' and resid 102 through 116 Processing helix chain 'Q' and resid 117 through 120 Processing helix chain 'Q' and resid 122 through 137 removed outlier: 3.520A pdb=" N ALA Q 126 " --> pdb=" O ASP Q 122 " (cutoff:3.500A) Processing helix chain 'Q' and resid 181 through 183 No H-bonds generated for 'chain 'Q' and resid 181 through 183' Processing helix chain 'Q' and resid 184 through 191 Processing helix chain 'Q' and resid 255 through 258 Processing helix chain 'Q' and resid 259 through 282 Processing helix chain 'Q' and resid 290 through 292 No H-bonds generated for 'chain 'Q' and resid 290 through 292' Processing helix chain 'Q' and resid 294 through 299 Processing helix chain 'Q' and resid 329 through 348 Processing helix chain 'Q' and resid 377 through 400 removed outlier: 4.077A pdb=" N SER Q 381 " --> pdb=" O GLY Q 377 " (cutoff:3.500A) removed outlier: 6.350A pdb=" N LEU Q 388 " --> pdb=" O SER Q 384 " (cutoff:3.500A) removed outlier: 4.531A pdb=" N ARG Q 389 " --> pdb=" O ASP Q 385 " (cutoff:3.500A) Processing helix chain 'Q' and resid 401 through 408 removed outlier: 4.299A pdb=" N ALA Q 405 " --> pdb=" O PRO Q 401 " (cutoff:3.500A) removed outlier: 3.673A pdb=" N MET Q 406 " --> pdb=" O PRO Q 402 " (cutoff:3.500A) removed outlier: 3.712A pdb=" N THR Q 408 " --> pdb=" O ARG Q 404 " (cutoff:3.500A) Processing helix chain 'Q' and resid 420 through 423 Processing helix chain 'Q' and resid 424 through 450 Proline residue: Q 444 - end of helix removed outlier: 3.627A pdb=" N THR Q 450 " --> pdb=" O LEU Q 446 " (cutoff:3.500A) Processing helix chain 'Q' and resid 454 through 467 Processing helix chain 'Q' and resid 469 through 473 Processing helix chain 'Q' and resid 476 through 486 Processing helix chain 'R' and resid 3 through 14 Processing helix chain 'R' and resid 29 through 46 removed outlier: 4.387A pdb=" N THR R 46 " --> pdb=" O GLY R 42 " (cutoff:3.500A) Processing helix chain 'R' and resid 118 through 138 Processing helix chain 'R' and resid 141 through 166 Processing helix chain 'R' and resid 173 through 182 removed outlier: 3.888A pdb=" N ARG R 177 " --> pdb=" O THR R 173 " (cutoff:3.500A) Processing helix chain 'S' and resid 105 through 109 Processing helix chain 'S' and resid 146 through 148 No H-bonds generated for 'chain 'S' and resid 146 through 148' Processing helix chain 'S' and resid 190 through 193 Processing helix chain 'S' and resid 194 through 210 removed outlier: 3.589A pdb=" N GLY S 210 " --> pdb=" O LEU S 206 " (cutoff:3.500A) Processing helix chain 'S' and resid 212 through 214 No H-bonds generated for 'chain 'S' and resid 212 through 214' Processing helix chain 'S' and resid 252 through 256 Processing helix chain 'S' and resid 334 through 339 Processing helix chain 'S' and resid 487 through 491 removed outlier: 3.999A pdb=" N TYR S 490 " --> pdb=" O LEU S 487 " (cutoff:3.500A) removed outlier: 4.683A pdb=" N ILE S 491 " --> pdb=" O PRO S 488 " (cutoff:3.500A) No H-bonds generated for 'chain 'S' and resid 487 through 491' Processing helix chain 'S' and resid 527 through 529 No H-bonds generated for 'chain 'S' and resid 527 through 529' Processing helix chain 'S' and resid 604 through 608 Processing helix chain 'S' and resid 612 through 614 No H-bonds generated for 'chain 'S' and resid 612 through 614' Processing helix chain 'S' and resid 704 through 707 Processing helix chain 'T' and resid 25 through 27 No H-bonds generated for 'chain 'T' and resid 25 through 27' Processing helix chain 'T' and resid 39 through 43 removed outlier: 3.546A pdb=" N TYR T 43 " --> pdb=" O ASN T 40 " (cutoff:3.500A) Processing helix chain 'T' and resid 85 through 103 removed outlier: 3.549A pdb=" N PHE T 96 " --> pdb=" O GLN T 92 " (cutoff:3.500A) Processing helix chain 'T' and resid 137 through 146 removed outlier: 3.987A pdb=" N LEU T 141 " --> pdb=" O ASN T 137 " (cutoff:3.500A) Processing helix chain 'U' and resid 25 through 27 No H-bonds generated for 'chain 'U' and resid 25 through 27' Processing helix chain 'U' and resid 39 through 41 No H-bonds generated for 'chain 'U' and resid 39 through 41' Processing helix chain 'U' and resid 86 through 106 removed outlier: 3.745A pdb=" N ASP U 90 " --> pdb=" O ARG U 86 " (cutoff:3.500A) removed outlier: 3.735A pdb=" N PHE U 96 " --> pdb=" O GLN U 92 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N GLY U 106 " --> pdb=" O GLU U 102 " (cutoff:3.500A) Processing helix chain 'U' and resid 137 through 145 removed outlier: 3.553A pdb=" N LEU U 141 " --> pdb=" O ASN U 137 " (cutoff:3.500A) removed outlier: 3.954A pdb=" N SER U 143 " --> pdb=" O GLY U 139 " (cutoff:3.500A) Processing helix chain 'V' and resid 25 through 29 Processing helix chain 'V' and resid 39 through 41 No H-bonds generated for 'chain 'V' and resid 39 through 41' Processing helix chain 'V' and resid 77 through 81 removed outlier: 3.673A pdb=" N GLU V 80 " --> pdb=" O MET V 77 " (cutoff:3.500A) removed outlier: 3.692A pdb=" N GLY V 81 " --> pdb=" O PHE V 78 " (cutoff:3.500A) No H-bonds generated for 'chain 'V' and resid 77 through 81' Processing helix chain 'V' and resid 85 through 106 removed outlier: 3.632A pdb=" N PHE V 96 " --> pdb=" O GLN V 92 " (cutoff:3.500A) Processing helix chain 'V' and resid 137 through 148 removed outlier: 3.702A pdb=" N LEU V 141 " --> pdb=" O ASN V 137 " (cutoff:3.500A) removed outlier: 4.016A pdb=" N SER V 143 " --> pdb=" O GLY V 139 " (cutoff:3.500A) removed outlier: 3.692A pdb=" N VAL V 144 " --> pdb=" O GLN V 140 " (cutoff:3.500A) Processing helix chain 'W' and resid 8 through 17 Processing helix chain 'W' and resid 18 through 32 Processing helix chain 'W' and resid 41 through 45 removed outlier: 3.675A pdb=" N MET W 44 " --> pdb=" O ILE W 41 " (cutoff:3.500A) removed outlier: 4.069A pdb=" N ASP W 45 " --> pdb=" O SER W 42 " (cutoff:3.500A) No H-bonds generated for 'chain 'W' and resid 41 through 45' Processing helix chain 'W' and resid 57 through 75 removed outlier: 3.912A pdb=" N VAL W 61 " --> pdb=" O SER W 57 " (cutoff:3.500A) Processing helix chain 'W' and resid 87 through 96 Processing helix chain 'W' and resid 102 through 117 removed outlier: 3.636A pdb=" N LEU W 117 " --> pdb=" O SER W 113 " (cutoff:3.500A) Processing helix chain 'W' and resid 118 through 120 No H-bonds generated for 'chain 'W' and resid 118 through 120' Processing helix chain 'W' and resid 122 through 137 Processing helix chain 'W' and resid 155 through 157 No H-bonds generated for 'chain 'W' and resid 155 through 157' Processing helix chain 'W' and resid 181 through 183 No H-bonds generated for 'chain 'W' and resid 181 through 183' Processing helix chain 'W' and resid 184 through 191 Processing helix chain 'W' and resid 232 through 236 removed outlier: 3.668A pdb=" N CYS W 236 " --> pdb=" O ILE W 233 " (cutoff:3.500A) Processing helix chain 'W' and resid 255 through 258 Processing helix chain 'W' and resid 259 through 282 Processing helix chain 'W' and resid 294 through 299 Processing helix chain 'W' and resid 324 through 328 removed outlier: 3.738A pdb=" N ASP W 327 " --> pdb=" O ASN W 324 " (cutoff:3.500A) removed outlier: 3.849A pdb=" N ARG W 328 " --> pdb=" O GLY W 325 " (cutoff:3.500A) No H-bonds generated for 'chain 'W' and resid 324 through 328' Processing helix chain 'W' and resid 329 through 348 Processing helix chain 'W' and resid 377 through 400 removed outlier: 4.523A pdb=" N SER W 381 " --> pdb=" O GLY W 377 " (cutoff:3.500A) removed outlier: 4.239A pdb=" N LEU W 388 " --> pdb=" O SER W 384 " (cutoff:3.500A) removed outlier: 3.954A pdb=" N ARG W 389 " --> pdb=" O ASP W 385 " (cutoff:3.500A) Processing helix chain 'W' and resid 403 through 408 removed outlier: 4.247A pdb=" N PHE W 407 " --> pdb=" O MET W 403 " (cutoff:3.500A) removed outlier: 3.566A pdb=" N THR W 408 " --> pdb=" O ARG W 404 " (cutoff:3.500A) No H-bonds generated for 'chain 'W' and resid 403 through 408' Processing helix chain 'W' and resid 420 through 423 removed outlier: 3.531A pdb=" N LEU W 423 " --> pdb=" O THR W 420 " (cutoff:3.500A) No H-bonds generated for 'chain 'W' and resid 420 through 423' Processing helix chain 'W' and resid 424 through 450 Proline residue: W 444 - end of helix Processing helix chain 'W' and resid 454 through 467 Processing helix chain 'W' and resid 470 through 474 removed outlier: 3.853A pdb=" N MET W 474 " --> pdb=" O SER W 471 " (cutoff:3.500A) Processing helix chain 'W' and resid 476 through 486 removed outlier: 3.515A pdb=" N GLN W 482 " --> pdb=" O GLU W 478 " (cutoff:3.500A) Processing helix chain 'X' and resid 3 through 15 Processing helix chain 'X' and resid 26 through 44 removed outlier: 3.520A pdb=" N GLY X 30 " --> pdb=" O ASN X 26 " (cutoff:3.500A) removed outlier: 3.579A pdb=" N LEU X 31 " --> pdb=" O PRO X 27 " (cutoff:3.500A) Processing helix chain 'X' and resid 118 through 139 Processing helix chain 'X' and resid 141 through 166 Processing helix chain 'X' and resid 173 through 180 removed outlier: 3.653A pdb=" N ARG X 177 " --> pdb=" O THR X 173 " (cutoff:3.500A) removed outlier: 3.710A pdb=" N ARG X 180 " --> pdb=" O ALA X 176 " (cutoff:3.500A) Processing helix chain 'Y' and resid 8 through 17 Processing helix chain 'Y' and resid 18 through 33 Processing helix chain 'Y' and resid 40 through 45 removed outlier: 4.374A pdb=" N GLY Y 43 " --> pdb=" O ASP Y 40 " (cutoff:3.500A) removed outlier: 3.576A pdb=" N MET Y 44 " --> pdb=" O ILE Y 41 " (cutoff:3.500A) removed outlier: 3.828A pdb=" N ASP Y 45 " --> pdb=" O SER Y 42 " (cutoff:3.500A) No H-bonds generated for 'chain 'Y' and resid 40 through 45' Processing helix chain 'Y' and resid 57 through 75 removed outlier: 3.521A pdb=" N VAL Y 61 " --> pdb=" O SER Y 57 " (cutoff:3.500A) Processing helix chain 'Y' and resid 87 through 95 removed outlier: 3.899A pdb=" N ALA Y 95 " --> pdb=" O ALA Y 91 " (cutoff:3.500A) Processing helix chain 'Y' and resid 102 through 116 Processing helix chain 'Y' and resid 117 through 120 Processing helix chain 'Y' and resid 122 through 137 removed outlier: 3.521A pdb=" N ALA Y 126 " --> pdb=" O ASP Y 122 " (cutoff:3.500A) Processing helix chain 'Y' and resid 181 through 183 No H-bonds generated for 'chain 'Y' and resid 181 through 183' Processing helix chain 'Y' and resid 184 through 191 Processing helix chain 'Y' and resid 255 through 258 Processing helix chain 'Y' and resid 259 through 282 Processing helix chain 'Y' and resid 290 through 292 No H-bonds generated for 'chain 'Y' and resid 290 through 292' Processing helix chain 'Y' and resid 294 through 299 Processing helix chain 'Y' and resid 329 through 348 Processing helix chain 'Y' and resid 377 through 400 removed outlier: 4.078A pdb=" N SER Y 381 " --> pdb=" O GLY Y 377 " (cutoff:3.500A) removed outlier: 6.349A pdb=" N LEU Y 388 " --> pdb=" O SER Y 384 " (cutoff:3.500A) removed outlier: 4.531A pdb=" N ARG Y 389 " --> pdb=" O ASP Y 385 " (cutoff:3.500A) Processing helix chain 'Y' and resid 401 through 408 removed outlier: 4.299A pdb=" N ALA Y 405 " --> pdb=" O PRO Y 401 " (cutoff:3.500A) removed outlier: 3.673A pdb=" N MET Y 406 " --> pdb=" O PRO Y 402 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N THR Y 408 " --> pdb=" O ARG Y 404 " (cutoff:3.500A) Processing helix chain 'Y' and resid 420 through 423 Processing helix chain 'Y' and resid 424 through 450 Proline residue: Y 444 - end of helix removed outlier: 3.627A pdb=" N THR Y 450 " --> pdb=" O LEU Y 446 " (cutoff:3.500A) Processing helix chain 'Y' and resid 454 through 467 Processing helix chain 'Y' and resid 469 through 473 Processing helix chain 'Y' and resid 476 through 486 Processing helix chain 'Z' and resid 3 through 14 Processing helix chain 'Z' and resid 29 through 46 removed outlier: 4.387A pdb=" N THR Z 46 " --> pdb=" O GLY Z 42 " (cutoff:3.500A) Processing helix chain 'Z' and resid 118 through 138 Processing helix chain 'Z' and resid 141 through 166 Processing helix chain 'Z' and resid 173 through 182 removed outlier: 3.888A pdb=" N ARG Z 177 " --> pdb=" O THR Z 173 " (cutoff:3.500A) Processing helix chain '0' and resid 105 through 109 Processing helix chain '0' and resid 146 through 148 No H-bonds generated for 'chain '0' and resid 146 through 148' Processing helix chain '0' and resid 190 through 193 Processing helix chain '0' and resid 194 through 210 removed outlier: 3.589A pdb=" N GLY 0 210 " --> pdb=" O LEU 0 206 " (cutoff:3.500A) Processing helix chain '0' and resid 212 through 214 No H-bonds generated for 'chain '0' and resid 212 through 214' Processing helix chain '0' and resid 252 through 256 Processing helix chain '0' and resid 334 through 339 Processing helix chain '0' and resid 487 through 491 removed outlier: 3.998A pdb=" N TYR 0 490 " --> pdb=" O LEU 0 487 " (cutoff:3.500A) removed outlier: 4.684A pdb=" N ILE 0 491 " --> pdb=" O PRO 0 488 " (cutoff:3.500A) No H-bonds generated for 'chain '0' and resid 487 through 491' Processing helix chain '0' and resid 527 through 529 No H-bonds generated for 'chain '0' and resid 527 through 529' Processing helix chain '0' and resid 604 through 608 Processing helix chain '0' and resid 612 through 614 No H-bonds generated for 'chain '0' and resid 612 through 614' Processing helix chain '0' and resid 704 through 707 Processing helix chain '1' and resid 25 through 27 No H-bonds generated for 'chain '1' and resid 25 through 27' Processing helix chain '1' and resid 39 through 43 removed outlier: 3.547A pdb=" N TYR 1 43 " --> pdb=" O ASN 1 40 " (cutoff:3.500A) Processing helix chain '1' and resid 85 through 103 removed outlier: 3.550A pdb=" N PHE 1 96 " --> pdb=" O GLN 1 92 " (cutoff:3.500A) Processing helix chain '1' and resid 137 through 146 removed outlier: 3.987A pdb=" N LEU 1 141 " --> pdb=" O ASN 1 137 " (cutoff:3.500A) Processing helix chain '2' and resid 25 through 27 No H-bonds generated for 'chain '2' and resid 25 through 27' Processing helix chain '2' and resid 39 through 41 No H-bonds generated for 'chain '2' and resid 39 through 41' Processing helix chain '2' and resid 86 through 106 removed outlier: 3.745A pdb=" N ASP 2 90 " --> pdb=" O ARG 2 86 " (cutoff:3.500A) removed outlier: 3.734A pdb=" N PHE 2 96 " --> pdb=" O GLN 2 92 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N GLY 2 106 " --> pdb=" O GLU 2 102 " (cutoff:3.500A) Processing helix chain '2' and resid 137 through 145 removed outlier: 3.553A pdb=" N LEU 2 141 " --> pdb=" O ASN 2 137 " (cutoff:3.500A) removed outlier: 3.954A pdb=" N SER 2 143 " --> pdb=" O GLY 2 139 " (cutoff:3.500A) Processing helix chain '3' and resid 25 through 29 Processing helix chain '3' and resid 39 through 41 No H-bonds generated for 'chain '3' and resid 39 through 41' Processing helix chain '3' and resid 77 through 81 removed outlier: 3.673A pdb=" N GLU 3 80 " --> pdb=" O MET 3 77 " (cutoff:3.500A) removed outlier: 3.693A pdb=" N GLY 3 81 " --> pdb=" O PHE 3 78 " (cutoff:3.500A) No H-bonds generated for 'chain '3' and resid 77 through 81' Processing helix chain '3' and resid 85 through 106 removed outlier: 3.633A pdb=" N PHE 3 96 " --> pdb=" O GLN 3 92 " (cutoff:3.500A) Processing helix chain '3' and resid 137 through 148 removed outlier: 3.702A pdb=" N LEU 3 141 " --> pdb=" O ASN 3 137 " (cutoff:3.500A) removed outlier: 4.016A pdb=" N SER 3 143 " --> pdb=" O GLY 3 139 " (cutoff:3.500A) removed outlier: 3.692A pdb=" N VAL 3 144 " --> pdb=" O GLN 3 140 " (cutoff:3.500A) Processing helix chain '4' and resid 8 through 17 Processing helix chain '4' and resid 18 through 32 Processing helix chain '4' and resid 41 through 45 removed outlier: 3.675A pdb=" N MET 4 44 " --> pdb=" O ILE 4 41 " (cutoff:3.500A) removed outlier: 4.069A pdb=" N ASP 4 45 " --> pdb=" O SER 4 42 " (cutoff:3.500A) No H-bonds generated for 'chain '4' and resid 41 through 45' Processing helix chain '4' and resid 57 through 75 removed outlier: 3.912A pdb=" N VAL 4 61 " --> pdb=" O SER 4 57 " (cutoff:3.500A) Processing helix chain '4' and resid 87 through 96 Processing helix chain '4' and resid 102 through 117 removed outlier: 3.636A pdb=" N LEU 4 117 " --> pdb=" O SER 4 113 " (cutoff:3.500A) Processing helix chain '4' and resid 118 through 120 No H-bonds generated for 'chain '4' and resid 118 through 120' Processing helix chain '4' and resid 122 through 137 Processing helix chain '4' and resid 155 through 157 No H-bonds generated for 'chain '4' and resid 155 through 157' Processing helix chain '4' and resid 181 through 183 No H-bonds generated for 'chain '4' and resid 181 through 183' Processing helix chain '4' and resid 184 through 191 Processing helix chain '4' and resid 232 through 236 removed outlier: 3.668A pdb=" N CYS 4 236 " --> pdb=" O ILE 4 233 " (cutoff:3.500A) Processing helix chain '4' and resid 255 through 258 Processing helix chain '4' and resid 259 through 282 Processing helix chain '4' and resid 294 through 299 Processing helix chain '4' and resid 324 through 328 removed outlier: 3.738A pdb=" N ASP 4 327 " --> pdb=" O ASN 4 324 " (cutoff:3.500A) removed outlier: 3.849A pdb=" N ARG 4 328 " --> pdb=" O GLY 4 325 " (cutoff:3.500A) No H-bonds generated for 'chain '4' and resid 324 through 328' Processing helix chain '4' and resid 329 through 348 Processing helix chain '4' and resid 377 through 400 removed outlier: 4.523A pdb=" N SER 4 381 " --> pdb=" O GLY 4 377 " (cutoff:3.500A) removed outlier: 4.239A pdb=" N LEU 4 388 " --> pdb=" O SER 4 384 " (cutoff:3.500A) removed outlier: 3.954A pdb=" N ARG 4 389 " --> pdb=" O ASP 4 385 " (cutoff:3.500A) Processing helix chain '4' and resid 403 through 408 removed outlier: 4.247A pdb=" N PHE 4 407 " --> pdb=" O MET 4 403 " (cutoff:3.500A) removed outlier: 3.565A pdb=" N THR 4 408 " --> pdb=" O ARG 4 404 " (cutoff:3.500A) No H-bonds generated for 'chain '4' and resid 403 through 408' Processing helix chain '4' and resid 420 through 423 removed outlier: 3.530A pdb=" N LEU 4 423 " --> pdb=" O THR 4 420 " (cutoff:3.500A) No H-bonds generated for 'chain '4' and resid 420 through 423' Processing helix chain '4' and resid 424 through 450 Proline residue: 4 444 - end of helix Processing helix chain '4' and resid 454 through 467 Processing helix chain '4' and resid 470 through 474 removed outlier: 3.853A pdb=" N MET 4 474 " --> pdb=" O SER 4 471 " (cutoff:3.500A) Processing helix chain '4' and resid 476 through 486 removed outlier: 3.515A pdb=" N GLN 4 482 " --> pdb=" O GLU 4 478 " (cutoff:3.500A) Processing helix chain '5' and resid 3 through 15 Processing helix chain '5' and resid 26 through 44 removed outlier: 3.520A pdb=" N GLY 5 30 " --> pdb=" O ASN 5 26 " (cutoff:3.500A) removed outlier: 3.579A pdb=" N LEU 5 31 " --> pdb=" O PRO 5 27 " (cutoff:3.500A) Processing helix chain '5' and resid 118 through 139 Processing helix chain '5' and resid 141 through 166 Processing helix chain '5' and resid 173 through 180 removed outlier: 3.653A pdb=" N ARG 5 177 " --> pdb=" O THR 5 173 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N ARG 5 180 " --> pdb=" O ALA 5 176 " (cutoff:3.500A) Processing helix chain '6' and resid 8 through 17 Processing helix chain '6' and resid 18 through 33 Processing helix chain '6' and resid 40 through 45 removed outlier: 4.374A pdb=" N GLY 6 43 " --> pdb=" O ASP 6 40 " (cutoff:3.500A) removed outlier: 3.576A pdb=" N MET 6 44 " --> pdb=" O ILE 6 41 " (cutoff:3.500A) removed outlier: 3.828A pdb=" N ASP 6 45 " --> pdb=" O SER 6 42 " (cutoff:3.500A) No H-bonds generated for 'chain '6' and resid 40 through 45' Processing helix chain '6' and resid 57 through 75 removed outlier: 3.521A pdb=" N VAL 6 61 " --> pdb=" O SER 6 57 " (cutoff:3.500A) Processing helix chain '6' and resid 87 through 95 removed outlier: 3.899A pdb=" N ALA 6 95 " --> pdb=" O ALA 6 91 " (cutoff:3.500A) Processing helix chain '6' and resid 102 through 116 Processing helix chain '6' and resid 117 through 120 Processing helix chain '6' and resid 122 through 137 removed outlier: 3.520A pdb=" N ALA 6 126 " --> pdb=" O ASP 6 122 " (cutoff:3.500A) Processing helix chain '6' and resid 181 through 183 No H-bonds generated for 'chain '6' and resid 181 through 183' Processing helix chain '6' and resid 184 through 191 Processing helix chain '6' and resid 255 through 258 Processing helix chain '6' and resid 259 through 282 Processing helix chain '6' and resid 290 through 292 No H-bonds generated for 'chain '6' and resid 290 through 292' Processing helix chain '6' and resid 294 through 299 Processing helix chain '6' and resid 329 through 348 Processing helix chain '6' and resid 377 through 400 removed outlier: 4.077A pdb=" N SER 6 381 " --> pdb=" O GLY 6 377 " (cutoff:3.500A) removed outlier: 6.350A pdb=" N LEU 6 388 " --> pdb=" O SER 6 384 " (cutoff:3.500A) removed outlier: 4.531A pdb=" N ARG 6 389 " --> pdb=" O ASP 6 385 " (cutoff:3.500A) Processing helix chain '6' and resid 401 through 408 removed outlier: 4.298A pdb=" N ALA 6 405 " --> pdb=" O PRO 6 401 " (cutoff:3.500A) removed outlier: 3.673A pdb=" N MET 6 406 " --> pdb=" O PRO 6 402 " (cutoff:3.500A) removed outlier: 3.712A pdb=" N THR 6 408 " --> pdb=" O ARG 6 404 " (cutoff:3.500A) Processing helix chain '6' and resid 420 through 423 Processing helix chain '6' and resid 424 through 450 Proline residue: 6 444 - end of helix removed outlier: 3.627A pdb=" N THR 6 450 " --> pdb=" O LEU 6 446 " (cutoff:3.500A) Processing helix chain '6' and resid 454 through 467 Processing helix chain '6' and resid 469 through 473 Processing helix chain '6' and resid 476 through 486 Processing helix chain '7' and resid 3 through 14 Processing helix chain '7' and resid 29 through 46 removed outlier: 4.387A pdb=" N THR 7 46 " --> pdb=" O GLY 7 42 " (cutoff:3.500A) Processing helix chain '7' and resid 118 through 138 Processing helix chain '7' and resid 141 through 166 Processing helix chain '7' and resid 173 through 182 removed outlier: 3.887A pdb=" N ARG 7 177 " --> pdb=" O THR 7 173 " (cutoff:3.500A) Processing helix chain '8' and resid 105 through 109 Processing helix chain '8' and resid 146 through 148 No H-bonds generated for 'chain '8' and resid 146 through 148' Processing helix chain '8' and resid 190 through 193 Processing helix chain '8' and resid 194 through 210 removed outlier: 3.589A pdb=" N GLY 8 210 " --> pdb=" O LEU 8 206 " (cutoff:3.500A) Processing helix chain '8' and resid 212 through 214 No H-bonds generated for 'chain '8' and resid 212 through 214' Processing helix chain '8' and resid 252 through 256 Processing helix chain '8' and resid 334 through 339 Processing helix chain '8' and resid 487 through 491 removed outlier: 3.999A pdb=" N TYR 8 490 " --> pdb=" O LEU 8 487 " (cutoff:3.500A) removed outlier: 4.684A pdb=" N ILE 8 491 " --> pdb=" O PRO 8 488 " (cutoff:3.500A) No H-bonds generated for 'chain '8' and resid 487 through 491' Processing helix chain '8' and resid 527 through 529 No H-bonds generated for 'chain '8' and resid 527 through 529' Processing helix chain '8' and resid 604 through 608 Processing helix chain '8' and resid 612 through 614 No H-bonds generated for 'chain '8' and resid 612 through 614' Processing helix chain '8' and resid 704 through 707 Processing helix chain '9' and resid 25 through 27 No H-bonds generated for 'chain '9' and resid 25 through 27' Processing helix chain '9' and resid 39 through 43 removed outlier: 3.547A pdb=" N TYR 9 43 " --> pdb=" O ASN 9 40 " (cutoff:3.500A) Processing helix chain '9' and resid 85 through 103 removed outlier: 3.549A pdb=" N PHE 9 96 " --> pdb=" O GLN 9 92 " (cutoff:3.500A) Processing helix chain '9' and resid 137 through 146 removed outlier: 3.987A pdb=" N LEU 9 141 " --> pdb=" O ASN 9 137 " (cutoff:3.500A) Processing helix chain 'a' and resid 25 through 27 No H-bonds generated for 'chain 'a' and resid 25 through 27' Processing helix chain 'a' and resid 39 through 41 No H-bonds generated for 'chain 'a' and resid 39 through 41' Processing helix chain 'a' and resid 86 through 106 removed outlier: 3.745A pdb=" N ASP a 90 " --> pdb=" O ARG a 86 " (cutoff:3.500A) removed outlier: 3.735A pdb=" N PHE a 96 " --> pdb=" O GLN a 92 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N GLY a 106 " --> pdb=" O GLU a 102 " (cutoff:3.500A) Processing helix chain 'a' and resid 137 through 145 removed outlier: 3.553A pdb=" N LEU a 141 " --> pdb=" O ASN a 137 " (cutoff:3.500A) removed outlier: 3.954A pdb=" N SER a 143 " --> pdb=" O GLY a 139 " (cutoff:3.500A) Processing helix chain 'b' and resid 25 through 29 Processing helix chain 'b' and resid 39 through 41 No H-bonds generated for 'chain 'b' and resid 39 through 41' Processing helix chain 'b' and resid 77 through 81 removed outlier: 3.673A pdb=" N GLU b 80 " --> pdb=" O MET b 77 " (cutoff:3.500A) removed outlier: 3.693A pdb=" N GLY b 81 " --> pdb=" O PHE b 78 " (cutoff:3.500A) No H-bonds generated for 'chain 'b' and resid 77 through 81' Processing helix chain 'b' and resid 85 through 106 removed outlier: 3.632A pdb=" N PHE b 96 " --> pdb=" O GLN b 92 " (cutoff:3.500A) Processing helix chain 'b' and resid 137 through 148 removed outlier: 3.702A pdb=" N LEU b 141 " --> pdb=" O ASN b 137 " (cutoff:3.500A) removed outlier: 4.016A pdb=" N SER b 143 " --> pdb=" O GLY b 139 " (cutoff:3.500A) removed outlier: 3.692A pdb=" N VAL b 144 " --> pdb=" O GLN b 140 " (cutoff:3.500A) Processing helix chain 'c' and resid 8 through 17 Processing helix chain 'c' and resid 18 through 32 Processing helix chain 'c' and resid 41 through 45 removed outlier: 3.675A pdb=" N MET c 44 " --> pdb=" O ILE c 41 " (cutoff:3.500A) removed outlier: 4.069A pdb=" N ASP c 45 " --> pdb=" O SER c 42 " (cutoff:3.500A) No H-bonds generated for 'chain 'c' and resid 41 through 45' Processing helix chain 'c' and resid 57 through 75 removed outlier: 3.912A pdb=" N VAL c 61 " --> pdb=" O SER c 57 " (cutoff:3.500A) Processing helix chain 'c' and resid 87 through 96 Processing helix chain 'c' and resid 102 through 117 removed outlier: 3.636A pdb=" N LEU c 117 " --> pdb=" O SER c 113 " (cutoff:3.500A) Processing helix chain 'c' and resid 118 through 120 No H-bonds generated for 'chain 'c' and resid 118 through 120' Processing helix chain 'c' and resid 122 through 137 Processing helix chain 'c' and resid 155 through 157 No H-bonds generated for 'chain 'c' and resid 155 through 157' Processing helix chain 'c' and resid 181 through 183 No H-bonds generated for 'chain 'c' and resid 181 through 183' Processing helix chain 'c' and resid 184 through 191 Processing helix chain 'c' and resid 232 through 236 removed outlier: 3.668A pdb=" N CYS c 236 " --> pdb=" O ILE c 233 " (cutoff:3.500A) Processing helix chain 'c' and resid 255 through 258 Processing helix chain 'c' and resid 259 through 282 Processing helix chain 'c' and resid 294 through 299 Processing helix chain 'c' and resid 324 through 328 removed outlier: 3.738A pdb=" N ASP c 327 " --> pdb=" O ASN c 324 " (cutoff:3.500A) removed outlier: 3.849A pdb=" N ARG c 328 " --> pdb=" O GLY c 325 " (cutoff:3.500A) No H-bonds generated for 'chain 'c' and resid 324 through 328' Processing helix chain 'c' and resid 329 through 348 Processing helix chain 'c' and resid 377 through 400 removed outlier: 4.523A pdb=" N SER c 381 " --> pdb=" O GLY c 377 " (cutoff:3.500A) removed outlier: 4.239A pdb=" N LEU c 388 " --> pdb=" O SER c 384 " (cutoff:3.500A) removed outlier: 3.954A pdb=" N ARG c 389 " --> pdb=" O ASP c 385 " (cutoff:3.500A) Processing helix chain 'c' and resid 403 through 408 removed outlier: 4.247A pdb=" N PHE c 407 " --> pdb=" O MET c 403 " (cutoff:3.500A) removed outlier: 3.565A pdb=" N THR c 408 " --> pdb=" O ARG c 404 " (cutoff:3.500A) No H-bonds generated for 'chain 'c' and resid 403 through 408' Processing helix chain 'c' and resid 420 through 423 removed outlier: 3.531A pdb=" N LEU c 423 " --> pdb=" O THR c 420 " (cutoff:3.500A) No H-bonds generated for 'chain 'c' and resid 420 through 423' Processing helix chain 'c' and resid 424 through 450 Proline residue: c 444 - end of helix Processing helix chain 'c' and resid 454 through 467 Processing helix chain 'c' and resid 470 through 474 removed outlier: 3.852A pdb=" N MET c 474 " --> pdb=" O SER c 471 " (cutoff:3.500A) Processing helix chain 'c' and resid 476 through 486 removed outlier: 3.515A pdb=" N GLN c 482 " --> pdb=" O GLU c 478 " (cutoff:3.500A) Processing helix chain 'd' and resid 3 through 15 Processing helix chain 'd' and resid 26 through 44 removed outlier: 3.520A pdb=" N GLY d 30 " --> pdb=" O ASN d 26 " (cutoff:3.500A) removed outlier: 3.579A pdb=" N LEU d 31 " --> pdb=" O PRO d 27 " (cutoff:3.500A) Processing helix chain 'd' and resid 118 through 139 Processing helix chain 'd' and resid 141 through 166 Processing helix chain 'd' and resid 173 through 180 removed outlier: 3.653A pdb=" N ARG d 177 " --> pdb=" O THR d 173 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N ARG d 180 " --> pdb=" O ALA d 176 " (cutoff:3.500A) Processing helix chain 'e' and resid 8 through 17 Processing helix chain 'e' and resid 18 through 33 Processing helix chain 'e' and resid 40 through 45 removed outlier: 4.374A pdb=" N GLY e 43 " --> pdb=" O ASP e 40 " (cutoff:3.500A) removed outlier: 3.576A pdb=" N MET e 44 " --> pdb=" O ILE e 41 " (cutoff:3.500A) removed outlier: 3.829A pdb=" N ASP e 45 " --> pdb=" O SER e 42 " (cutoff:3.500A) No H-bonds generated for 'chain 'e' and resid 40 through 45' Processing helix chain 'e' and resid 57 through 75 removed outlier: 3.520A pdb=" N VAL e 61 " --> pdb=" O SER e 57 " (cutoff:3.500A) Processing helix chain 'e' and resid 87 through 95 removed outlier: 3.899A pdb=" N ALA e 95 " --> pdb=" O ALA e 91 " (cutoff:3.500A) Processing helix chain 'e' and resid 102 through 116 Processing helix chain 'e' and resid 117 through 120 Processing helix chain 'e' and resid 122 through 137 removed outlier: 3.520A pdb=" N ALA e 126 " --> pdb=" O ASP e 122 " (cutoff:3.500A) Processing helix chain 'e' and resid 181 through 183 No H-bonds generated for 'chain 'e' and resid 181 through 183' Processing helix chain 'e' and resid 184 through 191 Processing helix chain 'e' and resid 255 through 258 Processing helix chain 'e' and resid 259 through 282 Processing helix chain 'e' and resid 290 through 292 No H-bonds generated for 'chain 'e' and resid 290 through 292' Processing helix chain 'e' and resid 294 through 299 Processing helix chain 'e' and resid 329 through 348 Processing helix chain 'e' and resid 377 through 400 removed outlier: 4.077A pdb=" N SER e 381 " --> pdb=" O GLY e 377 " (cutoff:3.500A) removed outlier: 6.350A pdb=" N LEU e 388 " --> pdb=" O SER e 384 " (cutoff:3.500A) removed outlier: 4.531A pdb=" N ARG e 389 " --> pdb=" O ASP e 385 " (cutoff:3.500A) Processing helix chain 'e' and resid 401 through 408 removed outlier: 4.299A pdb=" N ALA e 405 " --> pdb=" O PRO e 401 " (cutoff:3.500A) removed outlier: 3.673A pdb=" N MET e 406 " --> pdb=" O PRO e 402 " (cutoff:3.500A) removed outlier: 3.712A pdb=" N THR e 408 " --> pdb=" O ARG e 404 " (cutoff:3.500A) Processing helix chain 'e' and resid 420 through 423 Processing helix chain 'e' and resid 424 through 450 Proline residue: e 444 - end of helix removed outlier: 3.627A pdb=" N THR e 450 " --> pdb=" O LEU e 446 " (cutoff:3.500A) Processing helix chain 'e' and resid 454 through 467 Processing helix chain 'e' and resid 469 through 473 Processing helix chain 'e' and resid 476 through 486 Processing helix chain 'f' and resid 3 through 14 Processing helix chain 'f' and resid 29 through 46 removed outlier: 4.387A pdb=" N THR f 46 " --> pdb=" O GLY f 42 " (cutoff:3.500A) Processing helix chain 'f' and resid 118 through 138 Processing helix chain 'f' and resid 141 through 166 Processing helix chain 'f' and resid 173 through 182 removed outlier: 3.888A pdb=" N ARG f 177 " --> pdb=" O THR f 173 " (cutoff:3.500A) Processing helix chain 'g' and resid 105 through 109 Processing helix chain 'g' and resid 146 through 148 No H-bonds generated for 'chain 'g' and resid 146 through 148' Processing helix chain 'g' and resid 190 through 193 Processing helix chain 'g' and resid 194 through 210 removed outlier: 3.589A pdb=" N GLY g 210 " --> pdb=" O LEU g 206 " (cutoff:3.500A) Processing helix chain 'g' and resid 212 through 214 No H-bonds generated for 'chain 'g' and resid 212 through 214' Processing helix chain 'g' and resid 252 through 256 Processing helix chain 'g' and resid 334 through 339 Processing helix chain 'g' and resid 487 through 491 removed outlier: 3.999A pdb=" N TYR g 490 " --> pdb=" O LEU g 487 " (cutoff:3.500A) removed outlier: 4.683A pdb=" N ILE g 491 " --> pdb=" O PRO g 488 " (cutoff:3.500A) No H-bonds generated for 'chain 'g' and resid 487 through 491' Processing helix chain 'g' and resid 527 through 529 No H-bonds generated for 'chain 'g' and resid 527 through 529' Processing helix chain 'g' and resid 604 through 608 Processing helix chain 'g' and resid 612 through 614 No H-bonds generated for 'chain 'g' and resid 612 through 614' Processing helix chain 'g' and resid 704 through 707 Processing helix chain 'h' and resid 25 through 27 No H-bonds generated for 'chain 'h' and resid 25 through 27' Processing helix chain 'h' and resid 39 through 43 removed outlier: 3.546A pdb=" N TYR h 43 " --> pdb=" O ASN h 40 " (cutoff:3.500A) Processing helix chain 'h' and resid 85 through 103 removed outlier: 3.549A pdb=" N PHE h 96 " --> pdb=" O GLN h 92 " (cutoff:3.500A) Processing helix chain 'h' and resid 137 through 146 removed outlier: 3.987A pdb=" N LEU h 141 " --> pdb=" O ASN h 137 " (cutoff:3.500A) Processing helix chain 'i' and resid 25 through 27 No H-bonds generated for 'chain 'i' and resid 25 through 27' Processing helix chain 'i' and resid 39 through 41 No H-bonds generated for 'chain 'i' and resid 39 through 41' Processing helix chain 'i' and resid 86 through 106 removed outlier: 3.745A pdb=" N ASP i 90 " --> pdb=" O ARG i 86 " (cutoff:3.500A) removed outlier: 3.735A pdb=" N PHE i 96 " --> pdb=" O GLN i 92 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N GLY i 106 " --> pdb=" O GLU i 102 " (cutoff:3.500A) Processing helix chain 'i' and resid 137 through 145 removed outlier: 3.553A pdb=" N LEU i 141 " --> pdb=" O ASN i 137 " (cutoff:3.500A) removed outlier: 3.954A pdb=" N SER i 143 " --> pdb=" O GLY i 139 " (cutoff:3.500A) Processing helix chain 'j' and resid 25 through 29 Processing helix chain 'j' and resid 39 through 41 No H-bonds generated for 'chain 'j' and resid 39 through 41' Processing helix chain 'j' and resid 77 through 81 removed outlier: 3.673A pdb=" N GLU j 80 " --> pdb=" O MET j 77 " (cutoff:3.500A) removed outlier: 3.692A pdb=" N GLY j 81 " --> pdb=" O PHE j 78 " (cutoff:3.500A) No H-bonds generated for 'chain 'j' and resid 77 through 81' Processing helix chain 'j' and resid 85 through 106 removed outlier: 3.632A pdb=" N PHE j 96 " --> pdb=" O GLN j 92 " (cutoff:3.500A) Processing helix chain 'j' and resid 137 through 148 removed outlier: 3.702A pdb=" N LEU j 141 " --> pdb=" O ASN j 137 " (cutoff:3.500A) removed outlier: 4.016A pdb=" N SER j 143 " --> pdb=" O GLY j 139 " (cutoff:3.500A) removed outlier: 3.692A pdb=" N VAL j 144 " --> pdb=" O GLN j 140 " (cutoff:3.500A) Processing helix chain 'k' and resid 8 through 17 Processing helix chain 'k' and resid 18 through 32 Processing helix chain 'k' and resid 41 through 45 removed outlier: 3.675A pdb=" N MET k 44 " --> pdb=" O ILE k 41 " (cutoff:3.500A) removed outlier: 4.069A pdb=" N ASP k 45 " --> pdb=" O SER k 42 " (cutoff:3.500A) No H-bonds generated for 'chain 'k' and resid 41 through 45' Processing helix chain 'k' and resid 57 through 75 removed outlier: 3.912A pdb=" N VAL k 61 " --> pdb=" O SER k 57 " (cutoff:3.500A) Processing helix chain 'k' and resid 87 through 96 Processing helix chain 'k' and resid 102 through 117 removed outlier: 3.636A pdb=" N LEU k 117 " --> pdb=" O SER k 113 " (cutoff:3.500A) Processing helix chain 'k' and resid 118 through 120 No H-bonds generated for 'chain 'k' and resid 118 through 120' Processing helix chain 'k' and resid 122 through 137 Processing helix chain 'k' and resid 155 through 157 No H-bonds generated for 'chain 'k' and resid 155 through 157' Processing helix chain 'k' and resid 181 through 183 No H-bonds generated for 'chain 'k' and resid 181 through 183' Processing helix chain 'k' and resid 184 through 191 Processing helix chain 'k' and resid 232 through 236 removed outlier: 3.668A pdb=" N CYS k 236 " --> pdb=" O ILE k 233 " (cutoff:3.500A) Processing helix chain 'k' and resid 255 through 258 Processing helix chain 'k' and resid 259 through 282 Processing helix chain 'k' and resid 294 through 299 Processing helix chain 'k' and resid 324 through 328 removed outlier: 3.738A pdb=" N ASP k 327 " --> pdb=" O ASN k 324 " (cutoff:3.500A) removed outlier: 3.849A pdb=" N ARG k 328 " --> pdb=" O GLY k 325 " (cutoff:3.500A) No H-bonds generated for 'chain 'k' and resid 324 through 328' Processing helix chain 'k' and resid 329 through 348 Processing helix chain 'k' and resid 377 through 400 removed outlier: 4.523A pdb=" N SER k 381 " --> pdb=" O GLY k 377 " (cutoff:3.500A) removed outlier: 4.239A pdb=" N LEU k 388 " --> pdb=" O SER k 384 " (cutoff:3.500A) removed outlier: 3.954A pdb=" N ARG k 389 " --> pdb=" O ASP k 385 " (cutoff:3.500A) Processing helix chain 'k' and resid 403 through 408 removed outlier: 4.247A pdb=" N PHE k 407 " --> pdb=" O MET k 403 " (cutoff:3.500A) removed outlier: 3.566A pdb=" N THR k 408 " --> pdb=" O ARG k 404 " (cutoff:3.500A) No H-bonds generated for 'chain 'k' and resid 403 through 408' Processing helix chain 'k' and resid 420 through 423 removed outlier: 3.531A pdb=" N LEU k 423 " --> pdb=" O THR k 420 " (cutoff:3.500A) No H-bonds generated for 'chain 'k' and resid 420 through 423' Processing helix chain 'k' and resid 424 through 450 Proline residue: k 444 - end of helix Processing helix chain 'k' and resid 454 through 467 Processing helix chain 'k' and resid 470 through 474 removed outlier: 3.853A pdb=" N MET k 474 " --> pdb=" O SER k 471 " (cutoff:3.500A) Processing helix chain 'k' and resid 476 through 486 removed outlier: 3.515A pdb=" N GLN k 482 " --> pdb=" O GLU k 478 " (cutoff:3.500A) Processing helix chain 'l' and resid 3 through 15 Processing helix chain 'l' and resid 26 through 44 removed outlier: 3.520A pdb=" N GLY l 30 " --> pdb=" O ASN l 26 " (cutoff:3.500A) removed outlier: 3.579A pdb=" N LEU l 31 " --> pdb=" O PRO l 27 " (cutoff:3.500A) Processing helix chain 'l' and resid 118 through 139 Processing helix chain 'l' and resid 141 through 166 Processing helix chain 'l' and resid 173 through 180 removed outlier: 3.653A pdb=" N ARG l 177 " --> pdb=" O THR l 173 " (cutoff:3.500A) removed outlier: 3.710A pdb=" N ARG l 180 " --> pdb=" O ALA l 176 " (cutoff:3.500A) Processing sheet with id= 1, first strand: chain 'A' and resid 82 through 84 Processing sheet with id= 2, first strand: chain 'A' and resid 151 through 154 Processing sheet with id= 3, first strand: chain 'A' and resid 159 through 163 removed outlier: 6.624A pdb=" N THR A 160 " --> pdb=" O VAL A 172 " (cutoff:3.500A) removed outlier: 4.449A pdb=" N VAL A 172 " --> pdb=" O THR A 160 " (cutoff:3.500A) removed outlier: 6.658A pdb=" N ARG A 162 " --> pdb=" O LEU A 170 " (cutoff:3.500A) removed outlier: 7.445A pdb=" N LEU A 170 " --> pdb=" O LEU A 209 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N GLU A 176 " --> pdb=" O LEU A 203 " (cutoff:3.500A) removed outlier: 6.470A pdb=" N GLN A 218 " --> pdb=" O ASP A 227 " (cutoff:3.500A) removed outlier: 7.276A pdb=" N ASP A 227 " --> pdb=" O GLN A 218 " (cutoff:3.500A) removed outlier: 7.404A pdb=" N VAL A 220 " --> pdb=" O ILE A 225 " (cutoff:3.500A) removed outlier: 6.718A pdb=" N ILE A 225 " --> pdb=" O VAL A 220 " (cutoff:3.500A) Processing sheet with id= 4, first strand: chain 'A' and resid 319 through 321 removed outlier: 6.384A pdb=" N ASN A 285 " --> pdb=" O VAL B 307 " (cutoff:3.500A) removed outlier: 7.157A pdb=" N THR B 309 " --> pdb=" O ASN A 285 " (cutoff:3.500A) removed outlier: 5.552A pdb=" N VAL A 287 " --> pdb=" O THR B 309 " (cutoff:3.500A) Processing sheet with id= 5, first strand: chain 'C' and resid 53 through 54 Processing sheet with id= 6, first strand: chain 'C' and resid 83 through 86 Processing sheet with id= 7, first strand: chain 'E' and resid 6 through 8 removed outlier: 5.908A pdb=" N ILE E 762 " --> pdb=" O ARG E 692 " (cutoff:3.500A) removed outlier: 6.857A pdb=" N ARG E 692 " --> pdb=" O ILE E 762 " (cutoff:3.500A) removed outlier: 3.900A pdb=" N ASP E 764 " --> pdb=" O ALA E 690 " (cutoff:3.500A) removed outlier: 3.804A pdb=" N ARG E 686 " --> pdb=" O ILE E 768 " (cutoff:3.500A) removed outlier: 6.526A pdb=" N ARG E 770 " --> pdb=" O LEU E 684 " (cutoff:3.500A) removed outlier: 5.613A pdb=" N LEU E 684 " --> pdb=" O ARG E 770 " (cutoff:3.500A) removed outlier: 4.835A pdb=" N ARG E 683 " --> pdb=" O THR E 743 " (cutoff:3.500A) removed outlier: 6.498A pdb=" N THR E 743 " --> pdb=" O ARG E 683 " (cutoff:3.500A) removed outlier: 3.989A pdb=" N LEU E 685 " --> pdb=" O CYS E 741 " (cutoff:3.500A) removed outlier: 6.912A pdb=" N SER E 733 " --> pdb=" O ASN E 693 " (cutoff:3.500A) Processing sheet with id= 8, first strand: chain 'E' and resid 31 through 33 removed outlier: 3.576A pdb=" N SER E 660 " --> pdb=" O THR E 754 " (cutoff:3.500A) Processing sheet with id= 9, first strand: chain 'E' and resid 35 through 38 Processing sheet with id= 10, first strand: chain 'E' and resid 50 through 51 removed outlier: 6.824A pdb=" N TYR E 556 " --> pdb=" O LEU E 548 " (cutoff:3.500A) removed outlier: 4.561A pdb=" N LEU E 548 " --> pdb=" O TYR E 556 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N PHE E 558 " --> pdb=" O LEU E 546 " (cutoff:3.500A) Processing sheet with id= 11, first strand: chain 'E' and resid 66 through 73 Processing sheet with id= 12, first strand: chain 'E' and resid 117 through 122 Processing sheet with id= 13, first strand: chain 'E' and resid 136 through 138 removed outlier: 3.515A pdb=" N VAL E 136 " --> pdb=" O THR E 303 " (cutoff:3.500A) Processing sheet with id= 14, first strand: chain 'E' and resid 216 through 218 Processing sheet with id= 15, first strand: chain 'E' and resid 174 through 181 removed outlier: 3.744A pdb=" N LYS E 162 " --> pdb=" O VAL E 181 " (cutoff:3.500A) removed outlier: 3.582A pdb=" N GLN E 169 " --> pdb=" O VAL E 232 " (cutoff:3.500A) Processing sheet with id= 16, first strand: chain 'E' and resid 249 through 250 Processing sheet with id= 17, first strand: chain 'E' and resid 345 through 347 Processing sheet with id= 18, first strand: chain 'E' and resid 359 through 362 Processing sheet with id= 19, first strand: chain 'E' and resid 397 through 402 removed outlier: 6.983A pdb=" N GLN E 415 " --> pdb=" O THR E 434 " (cutoff:3.500A) removed outlier: 3.730A pdb=" N VAL E 417 " --> pdb=" O ALA E 432 " (cutoff:3.500A) removed outlier: 4.298A pdb=" N ALA E 432 " --> pdb=" O VAL E 417 " (cutoff:3.500A) Processing sheet with id= 20, first strand: chain 'E' and resid 446 through 448 removed outlier: 3.541A pdb=" N VAL E 446 " --> pdb=" O LEU E 453 " (cutoff:3.500A) removed outlier: 3.708A pdb=" N VAL E 452 " --> pdb=" O PHE E 468 " (cutoff:3.500A) removed outlier: 3.695A pdb=" N ARG E 458 " --> pdb=" O TYR E 462 " (cutoff:3.500A) removed outlier: 6.648A pdb=" N TYR E 462 " --> pdb=" O ARG E 458 " (cutoff:3.500A) Processing sheet with id= 21, first strand: chain 'E' and resid 495 through 501 removed outlier: 6.541A pdb=" N ARG E 510 " --> pdb=" O MET E 496 " (cutoff:3.500A) removed outlier: 4.607A pdb=" N MET E 498 " --> pdb=" O PHE E 508 " (cutoff:3.500A) removed outlier: 6.979A pdb=" N PHE E 508 " --> pdb=" O MET E 498 " (cutoff:3.500A) removed outlier: 4.810A pdb=" N VAL E 500 " --> pdb=" O VAL E 506 " (cutoff:3.500A) removed outlier: 6.962A pdb=" N VAL E 506 " --> pdb=" O VAL E 500 " (cutoff:3.500A) removed outlier: 5.229A pdb=" N TYR E 511 " --> pdb=" O SER E 517 " (cutoff:3.500A) removed outlier: 6.446A pdb=" N SER E 517 " --> pdb=" O TYR E 511 " (cutoff:3.500A) removed outlier: 6.390A pdb=" N GLU E 522 " --> pdb=" O GLY E 534 " (cutoff:3.500A) removed outlier: 3.942A pdb=" N GLY E 534 " --> pdb=" O GLU E 522 " (cutoff:3.500A) removed outlier: 6.351A pdb=" N LEU E 524 " --> pdb=" O ALA E 532 " (cutoff:3.500A) Processing sheet with id= 22, first strand: chain 'E' and resid 495 through 501 removed outlier: 6.541A pdb=" N ARG E 510 " --> pdb=" O MET E 496 " (cutoff:3.500A) removed outlier: 4.607A pdb=" N MET E 498 " --> pdb=" O PHE E 508 " (cutoff:3.500A) removed outlier: 6.979A pdb=" N PHE E 508 " --> pdb=" O MET E 498 " (cutoff:3.500A) removed outlier: 4.810A pdb=" N VAL E 500 " --> pdb=" O VAL E 506 " (cutoff:3.500A) removed outlier: 6.962A pdb=" N VAL E 506 " --> pdb=" O VAL E 500 " (cutoff:3.500A) removed outlier: 5.229A pdb=" N TYR E 511 " --> pdb=" O SER E 517 " (cutoff:3.500A) removed outlier: 6.446A pdb=" N SER E 517 " --> pdb=" O TYR E 511 " (cutoff:3.500A) Processing sheet with id= 23, first strand: chain 'E' and resid 589 through 596 removed outlier: 5.376A pdb=" N MET E 590 " --> pdb=" O TYR E 656 " (cutoff:3.500A) removed outlier: 4.454A pdb=" N TYR E 656 " --> pdb=" O MET E 590 " (cutoff:3.500A) removed outlier: 3.619A pdb=" N GLY E 655 " --> pdb=" O ALA E 617 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N LEU E 618 " --> pdb=" O LEU E 630 " (cutoff:3.500A) Processing sheet with id= 24, first strand: chain 'E' and resid 600 through 602 Processing sheet with id= 25, first strand: chain 'G' and resid 5 through 6 Processing sheet with id= 26, first strand: chain 'G' and resid 44 through 47 removed outlier: 3.941A pdb=" N ASN G 46 " --> pdb=" O LEU G 50 " (cutoff:3.500A) removed outlier: 6.858A pdb=" N LEU G 50 " --> pdb=" O ASN G 46 " (cutoff:3.500A) Processing sheet with id= 27, first strand: chain 'G' and resid 117 through 121 removed outlier: 5.813A pdb=" N LEU F 126 " --> pdb=" O MET G 118 " (cutoff:3.500A) removed outlier: 6.074A pdb=" N GLY G 120 " --> pdb=" O LEU F 126 " (cutoff:3.500A) Processing sheet with id= 28, first strand: chain 'H' and resid 5 through 8 removed outlier: 4.922A pdb=" N LEU H 31 " --> pdb=" O ILE H 38 " (cutoff:3.500A) Processing sheet with id= 29, first strand: chain 'H' and resid 16 through 17 removed outlier: 6.634A pdb=" N LEU H 50 " --> pdb=" O ASN H 46 " (cutoff:3.500A) Processing sheet with id= 30, first strand: chain 'F' and resid 7 through 10 removed outlier: 3.561A pdb=" N GLY F 61 " --> pdb=" O VAL F 10 " (cutoff:3.500A) Processing sheet with id= 31, first strand: chain 'F' and resid 16 through 17 removed outlier: 6.777A pdb=" N LEU F 50 " --> pdb=" O ASN F 46 " (cutoff:3.500A) Processing sheet with id= 32, first strand: chain 'B' and resid 82 through 84 Processing sheet with id= 33, first strand: chain 'B' and resid 151 through 154 Processing sheet with id= 34, first strand: chain 'B' and resid 159 through 163 removed outlier: 6.538A pdb=" N THR B 160 " --> pdb=" O VAL B 172 " (cutoff:3.500A) removed outlier: 4.437A pdb=" N VAL B 172 " --> pdb=" O THR B 160 " (cutoff:3.500A) removed outlier: 6.797A pdb=" N ARG B 162 " --> pdb=" O LEU B 170 " (cutoff:3.500A) removed outlier: 7.347A pdb=" N LEU B 170 " --> pdb=" O LEU B 209 " (cutoff:3.500A) removed outlier: 7.247A pdb=" N PHE B 214 " --> pdb=" O SER B 229 " (cutoff:3.500A) removed outlier: 7.138A pdb=" N SER B 229 " --> pdb=" O PHE B 214 " (cutoff:3.500A) removed outlier: 7.276A pdb=" N ILE B 216 " --> pdb=" O ASP B 227 " (cutoff:3.500A) removed outlier: 7.167A pdb=" N ASP B 227 " --> pdb=" O ILE B 216 " (cutoff:3.500A) removed outlier: 4.507A pdb=" N GLN B 218 " --> pdb=" O ILE B 225 " (cutoff:3.500A) Processing sheet with id= 35, first strand: chain 'B' and resid 285 through 287 Processing sheet with id= 36, first strand: chain 'D' and resid 52 through 57 removed outlier: 7.978A pdb=" N HIS D 105 " --> pdb=" O GLY D 77 " (cutoff:3.500A) removed outlier: 5.594A pdb=" N GLY D 77 " --> pdb=" O HIS D 105 " (cutoff:3.500A) removed outlier: 6.720A pdb=" N LYS D 107 " --> pdb=" O MET D 75 " (cutoff:3.500A) removed outlier: 4.839A pdb=" N MET D 75 " --> pdb=" O LYS D 107 " (cutoff:3.500A) removed outlier: 6.774A pdb=" N VAL D 109 " --> pdb=" O LEU D 73 " (cutoff:3.500A) Processing sheet with id= 37, first strand: chain 'D' and resid 83 through 86 removed outlier: 3.721A pdb=" N TYR D 91 " --> pdb=" O GLY D 84 " (cutoff:3.500A) Processing sheet with id= 38, first strand: chain 'I' and resid 82 through 84 Processing sheet with id= 39, first strand: chain 'I' and resid 151 through 154 Processing sheet with id= 40, first strand: chain 'I' and resid 159 through 163 removed outlier: 6.623A pdb=" N THR I 160 " --> pdb=" O VAL I 172 " (cutoff:3.500A) removed outlier: 4.449A pdb=" N VAL I 172 " --> pdb=" O THR I 160 " (cutoff:3.500A) removed outlier: 6.658A pdb=" N ARG I 162 " --> pdb=" O LEU I 170 " (cutoff:3.500A) removed outlier: 7.444A pdb=" N LEU I 170 " --> pdb=" O LEU I 209 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N GLU I 176 " --> pdb=" O LEU I 203 " (cutoff:3.500A) removed outlier: 6.470A pdb=" N GLN I 218 " --> pdb=" O ASP I 227 " (cutoff:3.500A) removed outlier: 7.276A pdb=" N ASP I 227 " --> pdb=" O GLN I 218 " (cutoff:3.500A) removed outlier: 7.404A pdb=" N VAL I 220 " --> pdb=" O ILE I 225 " (cutoff:3.500A) removed outlier: 6.718A pdb=" N ILE I 225 " --> pdb=" O VAL I 220 " (cutoff:3.500A) Processing sheet with id= 41, first strand: chain 'I' and resid 319 through 321 removed outlier: 6.384A pdb=" N ASN I 285 " --> pdb=" O VAL O 307 " (cutoff:3.500A) removed outlier: 7.157A pdb=" N THR O 309 " --> pdb=" O ASN I 285 " (cutoff:3.500A) removed outlier: 5.552A pdb=" N VAL I 287 " --> pdb=" O THR O 309 " (cutoff:3.500A) Processing sheet with id= 42, first strand: chain 'J' and resid 53 through 54 Processing sheet with id= 43, first strand: chain 'J' and resid 83 through 86 Processing sheet with id= 44, first strand: chain 'K' and resid 6 through 8 removed outlier: 5.908A pdb=" N ILE K 762 " --> pdb=" O ARG K 692 " (cutoff:3.500A) removed outlier: 6.856A pdb=" N ARG K 692 " --> pdb=" O ILE K 762 " (cutoff:3.500A) removed outlier: 3.900A pdb=" N ASP K 764 " --> pdb=" O ALA K 690 " (cutoff:3.500A) removed outlier: 3.804A pdb=" N ARG K 686 " --> pdb=" O ILE K 768 " (cutoff:3.500A) removed outlier: 6.525A pdb=" N ARG K 770 " --> pdb=" O LEU K 684 " (cutoff:3.500A) removed outlier: 5.614A pdb=" N LEU K 684 " --> pdb=" O ARG K 770 " (cutoff:3.500A) removed outlier: 4.835A pdb=" N ARG K 683 " --> pdb=" O THR K 743 " (cutoff:3.500A) removed outlier: 6.498A pdb=" N THR K 743 " --> pdb=" O ARG K 683 " (cutoff:3.500A) removed outlier: 3.989A pdb=" N LEU K 685 " --> pdb=" O CYS K 741 " (cutoff:3.500A) removed outlier: 6.912A pdb=" N SER K 733 " --> pdb=" O ASN K 693 " (cutoff:3.500A) Processing sheet with id= 45, first strand: chain 'K' and resid 31 through 33 removed outlier: 3.576A pdb=" N SER K 660 " --> pdb=" O THR K 754 " (cutoff:3.500A) Processing sheet with id= 46, first strand: chain 'K' and resid 35 through 38 Processing sheet with id= 47, first strand: chain 'K' and resid 50 through 51 removed outlier: 6.824A pdb=" N TYR K 556 " --> pdb=" O LEU K 548 " (cutoff:3.500A) removed outlier: 4.561A pdb=" N LEU K 548 " --> pdb=" O TYR K 556 " (cutoff:3.500A) removed outlier: 7.110A pdb=" N PHE K 558 " --> pdb=" O LEU K 546 " (cutoff:3.500A) Processing sheet with id= 48, first strand: chain 'K' and resid 66 through 73 Processing sheet with id= 49, first strand: chain 'K' and resid 117 through 122 Processing sheet with id= 50, first strand: chain 'K' and resid 136 through 138 removed outlier: 3.516A pdb=" N VAL K 136 " --> pdb=" O THR K 303 " (cutoff:3.500A) Processing sheet with id= 51, first strand: chain 'K' and resid 216 through 218 Processing sheet with id= 52, first strand: chain 'K' and resid 174 through 181 removed outlier: 3.744A pdb=" N LYS K 162 " --> pdb=" O VAL K 181 " (cutoff:3.500A) removed outlier: 3.583A pdb=" N GLN K 169 " --> pdb=" O VAL K 232 " (cutoff:3.500A) Processing sheet with id= 53, first strand: chain 'K' and resid 249 through 250 Processing sheet with id= 54, first strand: chain 'K' and resid 345 through 347 Processing sheet with id= 55, first strand: chain 'K' and resid 359 through 362 Processing sheet with id= 56, first strand: chain 'K' and resid 397 through 402 removed outlier: 6.984A pdb=" N GLN K 415 " --> pdb=" O THR K 434 " (cutoff:3.500A) removed outlier: 3.729A pdb=" N VAL K 417 " --> pdb=" O ALA K 432 " (cutoff:3.500A) removed outlier: 4.298A pdb=" N ALA K 432 " --> pdb=" O VAL K 417 " (cutoff:3.500A) Processing sheet with id= 57, first strand: chain 'K' and resid 446 through 448 removed outlier: 3.541A pdb=" N VAL K 446 " --> pdb=" O LEU K 453 " (cutoff:3.500A) removed outlier: 3.708A pdb=" N VAL K 452 " --> pdb=" O PHE K 468 " (cutoff:3.500A) removed outlier: 3.695A pdb=" N ARG K 458 " --> pdb=" O TYR K 462 " (cutoff:3.500A) removed outlier: 6.648A pdb=" N TYR K 462 " --> pdb=" O ARG K 458 " (cutoff:3.500A) Processing sheet with id= 58, first strand: chain 'K' and resid 495 through 501 removed outlier: 6.541A pdb=" N ARG K 510 " --> pdb=" O MET K 496 " (cutoff:3.500A) removed outlier: 4.608A pdb=" N MET K 498 " --> pdb=" O PHE K 508 " (cutoff:3.500A) removed outlier: 6.979A pdb=" N PHE K 508 " --> pdb=" O MET K 498 " (cutoff:3.500A) removed outlier: 4.810A pdb=" N VAL K 500 " --> pdb=" O VAL K 506 " (cutoff:3.500A) removed outlier: 6.962A pdb=" N VAL K 506 " --> pdb=" O VAL K 500 " (cutoff:3.500A) removed outlier: 5.229A pdb=" N TYR K 511 " --> pdb=" O SER K 517 " (cutoff:3.500A) removed outlier: 6.446A pdb=" N SER K 517 " --> pdb=" O TYR K 511 " (cutoff:3.500A) removed outlier: 6.390A pdb=" N GLU K 522 " --> pdb=" O GLY K 534 " (cutoff:3.500A) removed outlier: 3.942A pdb=" N GLY K 534 " --> pdb=" O GLU K 522 " (cutoff:3.500A) removed outlier: 6.351A pdb=" N LEU K 524 " --> pdb=" O ALA K 532 " (cutoff:3.500A) Processing sheet with id= 59, first strand: chain 'K' and resid 495 through 501 removed outlier: 6.541A pdb=" N ARG K 510 " --> pdb=" O MET K 496 " (cutoff:3.500A) removed outlier: 4.608A pdb=" N MET K 498 " --> pdb=" O PHE K 508 " (cutoff:3.500A) removed outlier: 6.979A pdb=" N PHE K 508 " --> pdb=" O MET K 498 " (cutoff:3.500A) removed outlier: 4.810A pdb=" N VAL K 500 " --> pdb=" O VAL K 506 " (cutoff:3.500A) removed outlier: 6.962A pdb=" N VAL K 506 " --> pdb=" O VAL K 500 " (cutoff:3.500A) removed outlier: 5.229A pdb=" N TYR K 511 " --> pdb=" O SER K 517 " (cutoff:3.500A) removed outlier: 6.446A pdb=" N SER K 517 " --> pdb=" O TYR K 511 " (cutoff:3.500A) Processing sheet with id= 60, first strand: chain 'K' and resid 589 through 596 removed outlier: 5.376A pdb=" N MET K 590 " --> pdb=" O TYR K 656 " (cutoff:3.500A) removed outlier: 4.454A pdb=" N TYR K 656 " --> pdb=" O MET K 590 " (cutoff:3.500A) removed outlier: 3.619A pdb=" N GLY K 655 " --> pdb=" O ALA K 617 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N LEU K 618 " --> pdb=" O LEU K 630 " (cutoff:3.500A) Processing sheet with id= 61, first strand: chain 'K' and resid 600 through 602 Processing sheet with id= 62, first strand: chain 'L' and resid 5 through 6 Processing sheet with id= 63, first strand: chain 'L' and resid 44 through 47 removed outlier: 3.941A pdb=" N ASN L 46 " --> pdb=" O LEU L 50 " (cutoff:3.500A) removed outlier: 6.858A pdb=" N LEU L 50 " --> pdb=" O ASN L 46 " (cutoff:3.500A) Processing sheet with id= 64, first strand: chain 'L' and resid 117 through 121 removed outlier: 5.813A pdb=" N LEU N 126 " --> pdb=" O MET L 118 " (cutoff:3.500A) removed outlier: 6.074A pdb=" N GLY L 120 " --> pdb=" O LEU N 126 " (cutoff:3.500A) Processing sheet with id= 65, first strand: chain 'M' and resid 5 through 8 removed outlier: 4.922A pdb=" N LEU M 31 " --> pdb=" O ILE M 38 " (cutoff:3.500A) Processing sheet with id= 66, first strand: chain 'M' and resid 16 through 17 removed outlier: 6.634A pdb=" N LEU M 50 " --> pdb=" O ASN M 46 " (cutoff:3.500A) Processing sheet with id= 67, first strand: chain 'N' and resid 7 through 10 removed outlier: 3.561A pdb=" N GLY N 61 " --> pdb=" O VAL N 10 " (cutoff:3.500A) Processing sheet with id= 68, first strand: chain 'N' and resid 16 through 17 removed outlier: 6.777A pdb=" N LEU N 50 " --> pdb=" O ASN N 46 " (cutoff:3.500A) Processing sheet with id= 69, first strand: chain 'O' and resid 82 through 84 Processing sheet with id= 70, first strand: chain 'O' and resid 151 through 154 Processing sheet with id= 71, first strand: chain 'O' and resid 159 through 163 removed outlier: 6.537A pdb=" N THR O 160 " --> pdb=" O VAL O 172 " (cutoff:3.500A) removed outlier: 4.437A pdb=" N VAL O 172 " --> pdb=" O THR O 160 " (cutoff:3.500A) removed outlier: 6.797A pdb=" N ARG O 162 " --> pdb=" O LEU O 170 " (cutoff:3.500A) removed outlier: 7.348A pdb=" N LEU O 170 " --> pdb=" O LEU O 209 " (cutoff:3.500A) removed outlier: 7.247A pdb=" N PHE O 214 " --> pdb=" O SER O 229 " (cutoff:3.500A) removed outlier: 7.138A pdb=" N SER O 229 " --> pdb=" O PHE O 214 " (cutoff:3.500A) removed outlier: 7.276A pdb=" N ILE O 216 " --> pdb=" O ASP O 227 " (cutoff:3.500A) removed outlier: 7.168A pdb=" N ASP O 227 " --> pdb=" O ILE O 216 " (cutoff:3.500A) removed outlier: 4.508A pdb=" N GLN O 218 " --> pdb=" O ILE O 225 " (cutoff:3.500A) Processing sheet with id= 72, first strand: chain 'O' and resid 285 through 287 Processing sheet with id= 73, first strand: chain 'P' and resid 52 through 57 removed outlier: 7.978A pdb=" N HIS P 105 " --> pdb=" O GLY P 77 " (cutoff:3.500A) removed outlier: 5.594A pdb=" N GLY P 77 " --> pdb=" O HIS P 105 " (cutoff:3.500A) removed outlier: 6.719A pdb=" N LYS P 107 " --> pdb=" O MET P 75 " (cutoff:3.500A) removed outlier: 4.839A pdb=" N MET P 75 " --> pdb=" O LYS P 107 " (cutoff:3.500A) removed outlier: 6.774A pdb=" N VAL P 109 " --> pdb=" O LEU P 73 " (cutoff:3.500A) Processing sheet with id= 74, first strand: chain 'P' and resid 83 through 86 removed outlier: 3.722A pdb=" N TYR P 91 " --> pdb=" O GLY P 84 " (cutoff:3.500A) Processing sheet with id= 75, first strand: chain 'Q' and resid 82 through 84 Processing sheet with id= 76, first strand: chain 'Q' and resid 151 through 154 Processing sheet with id= 77, first strand: chain 'Q' and resid 159 through 163 removed outlier: 6.624A pdb=" N THR Q 160 " --> pdb=" O VAL Q 172 " (cutoff:3.500A) removed outlier: 4.449A pdb=" N VAL Q 172 " --> pdb=" O THR Q 160 " (cutoff:3.500A) removed outlier: 6.658A pdb=" N ARG Q 162 " --> pdb=" O LEU Q 170 " (cutoff:3.500A) removed outlier: 7.444A pdb=" N LEU Q 170 " --> pdb=" O LEU Q 209 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N GLU Q 176 " --> pdb=" O LEU Q 203 " (cutoff:3.500A) removed outlier: 6.470A pdb=" N GLN Q 218 " --> pdb=" O ASP Q 227 " (cutoff:3.500A) removed outlier: 7.276A pdb=" N ASP Q 227 " --> pdb=" O GLN Q 218 " (cutoff:3.500A) removed outlier: 7.404A pdb=" N VAL Q 220 " --> pdb=" O ILE Q 225 " (cutoff:3.500A) removed outlier: 6.718A pdb=" N ILE Q 225 " --> pdb=" O VAL Q 220 " (cutoff:3.500A) Processing sheet with id= 78, first strand: chain 'Q' and resid 319 through 321 removed outlier: 6.384A pdb=" N ASN Q 285 " --> pdb=" O VAL W 307 " (cutoff:3.500A) removed outlier: 7.157A pdb=" N THR W 309 " --> pdb=" O ASN Q 285 " (cutoff:3.500A) removed outlier: 5.552A pdb=" N VAL Q 287 " --> pdb=" O THR W 309 " (cutoff:3.500A) Processing sheet with id= 79, first strand: chain 'R' and resid 53 through 54 Processing sheet with id= 80, first strand: chain 'R' and resid 83 through 86 Processing sheet with id= 81, first strand: chain 'S' and resid 6 through 8 removed outlier: 5.908A pdb=" N ILE S 762 " --> pdb=" O ARG S 692 " (cutoff:3.500A) removed outlier: 6.856A pdb=" N ARG S 692 " --> pdb=" O ILE S 762 " (cutoff:3.500A) removed outlier: 3.900A pdb=" N ASP S 764 " --> pdb=" O ALA S 690 " (cutoff:3.500A) removed outlier: 3.804A pdb=" N ARG S 686 " --> pdb=" O ILE S 768 " (cutoff:3.500A) removed outlier: 6.525A pdb=" N ARG S 770 " --> pdb=" O LEU S 684 " (cutoff:3.500A) removed outlier: 5.613A pdb=" N LEU S 684 " --> pdb=" O ARG S 770 " (cutoff:3.500A) removed outlier: 4.835A pdb=" N ARG S 683 " --> pdb=" O THR S 743 " (cutoff:3.500A) removed outlier: 6.497A pdb=" N THR S 743 " --> pdb=" O ARG S 683 " (cutoff:3.500A) removed outlier: 3.988A pdb=" N LEU S 685 " --> pdb=" O CYS S 741 " (cutoff:3.500A) removed outlier: 6.913A pdb=" N SER S 733 " --> pdb=" O ASN S 693 " (cutoff:3.500A) Processing sheet with id= 82, first strand: chain 'S' and resid 31 through 33 removed outlier: 3.576A pdb=" N SER S 660 " --> pdb=" O THR S 754 " (cutoff:3.500A) Processing sheet with id= 83, first strand: chain 'S' and resid 35 through 38 Processing sheet with id= 84, first strand: chain 'S' and resid 50 through 51 removed outlier: 6.824A pdb=" N TYR S 556 " --> pdb=" O LEU S 548 " (cutoff:3.500A) removed outlier: 4.561A pdb=" N LEU S 548 " --> pdb=" O TYR S 556 " (cutoff:3.500A) removed outlier: 7.110A pdb=" N PHE S 558 " --> pdb=" O LEU S 546 " (cutoff:3.500A) Processing sheet with id= 85, first strand: chain 'S' and resid 66 through 73 Processing sheet with id= 86, first strand: chain 'S' and resid 117 through 122 Processing sheet with id= 87, first strand: chain 'S' and resid 136 through 138 removed outlier: 3.516A pdb=" N VAL S 136 " --> pdb=" O THR S 303 " (cutoff:3.500A) Processing sheet with id= 88, first strand: chain 'S' and resid 216 through 218 Processing sheet with id= 89, first strand: chain 'S' and resid 174 through 181 removed outlier: 3.744A pdb=" N LYS S 162 " --> pdb=" O VAL S 181 " (cutoff:3.500A) removed outlier: 3.582A pdb=" N GLN S 169 " --> pdb=" O VAL S 232 " (cutoff:3.500A) Processing sheet with id= 90, first strand: chain 'S' and resid 249 through 250 Processing sheet with id= 91, first strand: chain 'S' and resid 345 through 347 Processing sheet with id= 92, first strand: chain 'S' and resid 359 through 362 Processing sheet with id= 93, first strand: chain 'S' and resid 397 through 402 removed outlier: 6.983A pdb=" N GLN S 415 " --> pdb=" O THR S 434 " (cutoff:3.500A) removed outlier: 3.730A pdb=" N VAL S 417 " --> pdb=" O ALA S 432 " (cutoff:3.500A) removed outlier: 4.297A pdb=" N ALA S 432 " --> pdb=" O VAL S 417 " (cutoff:3.500A) Processing sheet with id= 94, first strand: chain 'S' and resid 446 through 448 removed outlier: 3.541A pdb=" N VAL S 446 " --> pdb=" O LEU S 453 " (cutoff:3.500A) removed outlier: 3.708A pdb=" N VAL S 452 " --> pdb=" O PHE S 468 " (cutoff:3.500A) removed outlier: 3.695A pdb=" N ARG S 458 " --> pdb=" O TYR S 462 " (cutoff:3.500A) removed outlier: 6.647A pdb=" N TYR S 462 " --> pdb=" O ARG S 458 " (cutoff:3.500A) Processing sheet with id= 95, first strand: chain 'S' and resid 495 through 501 removed outlier: 6.541A pdb=" N ARG S 510 " --> pdb=" O MET S 496 " (cutoff:3.500A) removed outlier: 4.608A pdb=" N MET S 498 " --> pdb=" O PHE S 508 " (cutoff:3.500A) removed outlier: 6.979A pdb=" N PHE S 508 " --> pdb=" O MET S 498 " (cutoff:3.500A) removed outlier: 4.810A pdb=" N VAL S 500 " --> pdb=" O VAL S 506 " (cutoff:3.500A) removed outlier: 6.963A pdb=" N VAL S 506 " --> pdb=" O VAL S 500 " (cutoff:3.500A) removed outlier: 5.229A pdb=" N TYR S 511 " --> pdb=" O SER S 517 " (cutoff:3.500A) removed outlier: 6.446A pdb=" N SER S 517 " --> pdb=" O TYR S 511 " (cutoff:3.500A) removed outlier: 6.389A pdb=" N GLU S 522 " --> pdb=" O GLY S 534 " (cutoff:3.500A) removed outlier: 3.942A pdb=" N GLY S 534 " --> pdb=" O GLU S 522 " (cutoff:3.500A) removed outlier: 6.352A pdb=" N LEU S 524 " --> pdb=" O ALA S 532 " (cutoff:3.500A) Processing sheet with id= 96, first strand: chain 'S' and resid 495 through 501 removed outlier: 6.541A pdb=" N ARG S 510 " --> pdb=" O MET S 496 " (cutoff:3.500A) removed outlier: 4.608A pdb=" N MET S 498 " --> pdb=" O PHE S 508 " (cutoff:3.500A) removed outlier: 6.979A pdb=" N PHE S 508 " --> pdb=" O MET S 498 " (cutoff:3.500A) removed outlier: 4.810A pdb=" N VAL S 500 " --> pdb=" O VAL S 506 " (cutoff:3.500A) removed outlier: 6.963A pdb=" N VAL S 506 " --> pdb=" O VAL S 500 " (cutoff:3.500A) removed outlier: 5.229A pdb=" N TYR S 511 " --> pdb=" O SER S 517 " (cutoff:3.500A) removed outlier: 6.446A pdb=" N SER S 517 " --> pdb=" O TYR S 511 " (cutoff:3.500A) Processing sheet with id= 97, first strand: chain 'S' and resid 589 through 596 removed outlier: 5.376A pdb=" N MET S 590 " --> pdb=" O TYR S 656 " (cutoff:3.500A) removed outlier: 4.454A pdb=" N TYR S 656 " --> pdb=" O MET S 590 " (cutoff:3.500A) removed outlier: 3.619A pdb=" N GLY S 655 " --> pdb=" O ALA S 617 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N LEU S 618 " --> pdb=" O LEU S 630 " (cutoff:3.500A) Processing sheet with id= 98, first strand: chain 'S' and resid 600 through 602 Processing sheet with id= 99, first strand: chain 'T' and resid 5 through 6 Processing sheet with id=100, first strand: chain 'T' and resid 44 through 47 removed outlier: 3.941A pdb=" N ASN T 46 " --> pdb=" O LEU T 50 " (cutoff:3.500A) removed outlier: 6.858A pdb=" N LEU T 50 " --> pdb=" O ASN T 46 " (cutoff:3.500A) Processing sheet with id=101, first strand: chain 'T' and resid 117 through 121 removed outlier: 5.812A pdb=" N LEU V 126 " --> pdb=" O MET T 118 " (cutoff:3.500A) removed outlier: 6.074A pdb=" N GLY T 120 " --> pdb=" O LEU V 126 " (cutoff:3.500A) Processing sheet with id=102, first strand: chain 'U' and resid 5 through 8 removed outlier: 4.922A pdb=" N LEU U 31 " --> pdb=" O ILE U 38 " (cutoff:3.500A) Processing sheet with id=103, first strand: chain 'U' and resid 16 through 17 removed outlier: 6.633A pdb=" N LEU U 50 " --> pdb=" O ASN U 46 " (cutoff:3.500A) Processing sheet with id=104, first strand: chain 'V' and resid 7 through 10 removed outlier: 3.561A pdb=" N GLY V 61 " --> pdb=" O VAL V 10 " (cutoff:3.500A) Processing sheet with id=105, first strand: chain 'V' and resid 16 through 17 removed outlier: 6.777A pdb=" N LEU V 50 " --> pdb=" O ASN V 46 " (cutoff:3.500A) Processing sheet with id=106, first strand: chain 'W' and resid 82 through 84 Processing sheet with id=107, first strand: chain 'W' and resid 151 through 154 Processing sheet with id=108, first strand: chain 'W' and resid 159 through 163 removed outlier: 6.538A pdb=" N THR W 160 " --> pdb=" O VAL W 172 " (cutoff:3.500A) removed outlier: 4.438A pdb=" N VAL W 172 " --> pdb=" O THR W 160 " (cutoff:3.500A) removed outlier: 6.797A pdb=" N ARG W 162 " --> pdb=" O LEU W 170 " (cutoff:3.500A) removed outlier: 7.348A pdb=" N LEU W 170 " --> pdb=" O LEU W 209 " (cutoff:3.500A) removed outlier: 7.247A pdb=" N PHE W 214 " --> pdb=" O SER W 229 " (cutoff:3.500A) removed outlier: 7.138A pdb=" N SER W 229 " --> pdb=" O PHE W 214 " (cutoff:3.500A) removed outlier: 7.277A pdb=" N ILE W 216 " --> pdb=" O ASP W 227 " (cutoff:3.500A) removed outlier: 7.168A pdb=" N ASP W 227 " --> pdb=" O ILE W 216 " (cutoff:3.500A) removed outlier: 4.507A pdb=" N GLN W 218 " --> pdb=" O ILE W 225 " (cutoff:3.500A) Processing sheet with id=109, first strand: chain 'W' and resid 285 through 287 Processing sheet with id=110, first strand: chain 'X' and resid 52 through 57 removed outlier: 7.978A pdb=" N HIS X 105 " --> pdb=" O GLY X 77 " (cutoff:3.500A) removed outlier: 5.594A pdb=" N GLY X 77 " --> pdb=" O HIS X 105 " (cutoff:3.500A) removed outlier: 6.720A pdb=" N LYS X 107 " --> pdb=" O MET X 75 " (cutoff:3.500A) removed outlier: 4.839A pdb=" N MET X 75 " --> pdb=" O LYS X 107 " (cutoff:3.500A) removed outlier: 6.774A pdb=" N VAL X 109 " --> pdb=" O LEU X 73 " (cutoff:3.500A) Processing sheet with id=111, first strand: chain 'X' and resid 83 through 86 removed outlier: 3.722A pdb=" N TYR X 91 " --> pdb=" O GLY X 84 " (cutoff:3.500A) Processing sheet with id=112, first strand: chain 'Y' and resid 82 through 84 Processing sheet with id=113, first strand: chain 'Y' and resid 151 through 154 Processing sheet with id=114, first strand: chain 'Y' and resid 159 through 163 removed outlier: 6.624A pdb=" N THR Y 160 " --> pdb=" O VAL Y 172 " (cutoff:3.500A) removed outlier: 4.449A pdb=" N VAL Y 172 " --> pdb=" O THR Y 160 " (cutoff:3.500A) removed outlier: 6.658A pdb=" N ARG Y 162 " --> pdb=" O LEU Y 170 " (cutoff:3.500A) removed outlier: 7.445A pdb=" N LEU Y 170 " --> pdb=" O LEU Y 209 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N GLU Y 176 " --> pdb=" O LEU Y 203 " (cutoff:3.500A) removed outlier: 6.470A pdb=" N GLN Y 218 " --> pdb=" O ASP Y 227 " (cutoff:3.500A) removed outlier: 7.276A pdb=" N ASP Y 227 " --> pdb=" O GLN Y 218 " (cutoff:3.500A) removed outlier: 7.404A pdb=" N VAL Y 220 " --> pdb=" O ILE Y 225 " (cutoff:3.500A) removed outlier: 6.718A pdb=" N ILE Y 225 " --> pdb=" O VAL Y 220 " (cutoff:3.500A) Processing sheet with id=115, first strand: chain 'Y' and resid 319 through 321 removed outlier: 6.384A pdb=" N ASN Y 285 " --> pdb=" O VAL 4 307 " (cutoff:3.500A) removed outlier: 7.157A pdb=" N THR 4 309 " --> pdb=" O ASN Y 285 " (cutoff:3.500A) removed outlier: 5.552A pdb=" N VAL Y 287 " --> pdb=" O THR 4 309 " (cutoff:3.500A) Processing sheet with id=116, first strand: chain 'Z' and resid 53 through 54 Processing sheet with id=117, first strand: chain 'Z' and resid 83 through 86 Processing sheet with id=118, first strand: chain '0' and resid 6 through 8 removed outlier: 5.908A pdb=" N ILE 0 762 " --> pdb=" O ARG 0 692 " (cutoff:3.500A) removed outlier: 6.857A pdb=" N ARG 0 692 " --> pdb=" O ILE 0 762 " (cutoff:3.500A) removed outlier: 3.900A pdb=" N ASP 0 764 " --> pdb=" O ALA 0 690 " (cutoff:3.500A) removed outlier: 3.804A pdb=" N ARG 0 686 " --> pdb=" O ILE 0 768 " (cutoff:3.500A) removed outlier: 6.526A pdb=" N ARG 0 770 " --> pdb=" O LEU 0 684 " (cutoff:3.500A) removed outlier: 5.613A pdb=" N LEU 0 684 " --> pdb=" O ARG 0 770 " (cutoff:3.500A) removed outlier: 4.835A pdb=" N ARG 0 683 " --> pdb=" O THR 0 743 " (cutoff:3.500A) removed outlier: 6.498A pdb=" N THR 0 743 " --> pdb=" O ARG 0 683 " (cutoff:3.500A) removed outlier: 3.989A pdb=" N LEU 0 685 " --> pdb=" O CYS 0 741 " (cutoff:3.500A) removed outlier: 6.912A pdb=" N SER 0 733 " --> pdb=" O ASN 0 693 " (cutoff:3.500A) Processing sheet with id=119, first strand: chain '0' and resid 31 through 33 removed outlier: 3.576A pdb=" N SER 0 660 " --> pdb=" O THR 0 754 " (cutoff:3.500A) Processing sheet with id=120, first strand: chain '0' and resid 35 through 38 Processing sheet with id=121, first strand: chain '0' and resid 50 through 51 removed outlier: 6.824A pdb=" N TYR 0 556 " --> pdb=" O LEU 0 548 " (cutoff:3.500A) removed outlier: 4.561A pdb=" N LEU 0 548 " --> pdb=" O TYR 0 556 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N PHE 0 558 " --> pdb=" O LEU 0 546 " (cutoff:3.500A) Processing sheet with id=122, first strand: chain '0' and resid 66 through 73 Processing sheet with id=123, first strand: chain '0' and resid 117 through 122 Processing sheet with id=124, first strand: chain '0' and resid 136 through 138 removed outlier: 3.515A pdb=" N VAL 0 136 " --> pdb=" O THR 0 303 " (cutoff:3.500A) Processing sheet with id=125, first strand: chain '0' and resid 216 through 218 Processing sheet with id=126, first strand: chain '0' and resid 174 through 181 removed outlier: 3.744A pdb=" N LYS 0 162 " --> pdb=" O VAL 0 181 " (cutoff:3.500A) removed outlier: 3.582A pdb=" N GLN 0 169 " --> pdb=" O VAL 0 232 " (cutoff:3.500A) Processing sheet with id=127, first strand: chain '0' and resid 249 through 250 Processing sheet with id=128, first strand: chain '0' and resid 345 through 347 Processing sheet with id=129, first strand: chain '0' and resid 359 through 362 Processing sheet with id=130, first strand: chain '0' and resid 397 through 402 removed outlier: 6.983A pdb=" N GLN 0 415 " --> pdb=" O THR 0 434 " (cutoff:3.500A) removed outlier: 3.730A pdb=" N VAL 0 417 " --> pdb=" O ALA 0 432 " (cutoff:3.500A) removed outlier: 4.298A pdb=" N ALA 0 432 " --> pdb=" O VAL 0 417 " (cutoff:3.500A) Processing sheet with id=131, first strand: chain '0' and resid 446 through 448 removed outlier: 3.541A pdb=" N VAL 0 446 " --> pdb=" O LEU 0 453 " (cutoff:3.500A) removed outlier: 3.708A pdb=" N VAL 0 452 " --> pdb=" O PHE 0 468 " (cutoff:3.500A) removed outlier: 3.695A pdb=" N ARG 0 458 " --> pdb=" O TYR 0 462 " (cutoff:3.500A) removed outlier: 6.648A pdb=" N TYR 0 462 " --> pdb=" O ARG 0 458 " (cutoff:3.500A) Processing sheet with id=132, first strand: chain '0' and resid 495 through 501 removed outlier: 6.541A pdb=" N ARG 0 510 " --> pdb=" O MET 0 496 " (cutoff:3.500A) removed outlier: 4.607A pdb=" N MET 0 498 " --> pdb=" O PHE 0 508 " (cutoff:3.500A) removed outlier: 6.979A pdb=" N PHE 0 508 " --> pdb=" O MET 0 498 " (cutoff:3.500A) removed outlier: 4.810A pdb=" N VAL 0 500 " --> pdb=" O VAL 0 506 " (cutoff:3.500A) removed outlier: 6.962A pdb=" N VAL 0 506 " --> pdb=" O VAL 0 500 " (cutoff:3.500A) removed outlier: 5.229A pdb=" N TYR 0 511 " --> pdb=" O SER 0 517 " (cutoff:3.500A) removed outlier: 6.446A pdb=" N SER 0 517 " --> pdb=" O TYR 0 511 " (cutoff:3.500A) removed outlier: 6.390A pdb=" N GLU 0 522 " --> pdb=" O GLY 0 534 " (cutoff:3.500A) removed outlier: 3.942A pdb=" N GLY 0 534 " --> pdb=" O GLU 0 522 " (cutoff:3.500A) removed outlier: 6.351A pdb=" N LEU 0 524 " --> pdb=" O ALA 0 532 " (cutoff:3.500A) Processing sheet with id=133, first strand: chain '0' and resid 495 through 501 removed outlier: 6.541A pdb=" N ARG 0 510 " --> pdb=" O MET 0 496 " (cutoff:3.500A) removed outlier: 4.607A pdb=" N MET 0 498 " --> pdb=" O PHE 0 508 " (cutoff:3.500A) removed outlier: 6.979A pdb=" N PHE 0 508 " --> pdb=" O MET 0 498 " (cutoff:3.500A) removed outlier: 4.810A pdb=" N VAL 0 500 " --> pdb=" O VAL 0 506 " (cutoff:3.500A) removed outlier: 6.962A pdb=" N VAL 0 506 " --> pdb=" O VAL 0 500 " (cutoff:3.500A) removed outlier: 5.229A pdb=" N TYR 0 511 " --> pdb=" O SER 0 517 " (cutoff:3.500A) removed outlier: 6.446A pdb=" N SER 0 517 " --> pdb=" O TYR 0 511 " (cutoff:3.500A) Processing sheet with id=134, first strand: chain '0' and resid 589 through 596 removed outlier: 5.376A pdb=" N MET 0 590 " --> pdb=" O TYR 0 656 " (cutoff:3.500A) removed outlier: 4.454A pdb=" N TYR 0 656 " --> pdb=" O MET 0 590 " (cutoff:3.500A) removed outlier: 3.619A pdb=" N GLY 0 655 " --> pdb=" O ALA 0 617 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N LEU 0 618 " --> pdb=" O LEU 0 630 " (cutoff:3.500A) Processing sheet with id=135, first strand: chain '0' and resid 600 through 602 Processing sheet with id=136, first strand: chain '1' and resid 5 through 6 Processing sheet with id=137, first strand: chain '1' and resid 44 through 47 removed outlier: 3.941A pdb=" N ASN 1 46 " --> pdb=" O LEU 1 50 " (cutoff:3.500A) removed outlier: 6.858A pdb=" N LEU 1 50 " --> pdb=" O ASN 1 46 " (cutoff:3.500A) Processing sheet with id=138, first strand: chain '1' and resid 117 through 121 removed outlier: 5.813A pdb=" N LEU 3 126 " --> pdb=" O MET 1 118 " (cutoff:3.500A) removed outlier: 6.074A pdb=" N GLY 1 120 " --> pdb=" O LEU 3 126 " (cutoff:3.500A) Processing sheet with id=139, first strand: chain '2' and resid 5 through 8 removed outlier: 4.922A pdb=" N LEU 2 31 " --> pdb=" O ILE 2 38 " (cutoff:3.500A) Processing sheet with id=140, first strand: chain '2' and resid 16 through 17 removed outlier: 6.634A pdb=" N LEU 2 50 " --> pdb=" O ASN 2 46 " (cutoff:3.500A) Processing sheet with id=141, first strand: chain '3' and resid 7 through 10 removed outlier: 3.561A pdb=" N GLY 3 61 " --> pdb=" O VAL 3 10 " (cutoff:3.500A) Processing sheet with id=142, first strand: chain '3' and resid 16 through 17 removed outlier: 6.777A pdb=" N LEU 3 50 " --> pdb=" O ASN 3 46 " (cutoff:3.500A) Processing sheet with id=143, first strand: chain '4' and resid 82 through 84 Processing sheet with id=144, first strand: chain '4' and resid 151 through 154 Processing sheet with id=145, first strand: chain '4' and resid 159 through 163 removed outlier: 6.538A pdb=" N THR 4 160 " --> pdb=" O VAL 4 172 " (cutoff:3.500A) removed outlier: 4.437A pdb=" N VAL 4 172 " --> pdb=" O THR 4 160 " (cutoff:3.500A) removed outlier: 6.797A pdb=" N ARG 4 162 " --> pdb=" O LEU 4 170 " (cutoff:3.500A) removed outlier: 7.347A pdb=" N LEU 4 170 " --> pdb=" O LEU 4 209 " (cutoff:3.500A) removed outlier: 7.247A pdb=" N PHE 4 214 " --> pdb=" O SER 4 229 " (cutoff:3.500A) removed outlier: 7.138A pdb=" N SER 4 229 " --> pdb=" O PHE 4 214 " (cutoff:3.500A) removed outlier: 7.276A pdb=" N ILE 4 216 " --> pdb=" O ASP 4 227 " (cutoff:3.500A) removed outlier: 7.167A pdb=" N ASP 4 227 " --> pdb=" O ILE 4 216 " (cutoff:3.500A) removed outlier: 4.507A pdb=" N GLN 4 218 " --> pdb=" O ILE 4 225 " (cutoff:3.500A) Processing sheet with id=146, first strand: chain '4' and resid 285 through 287 Processing sheet with id=147, first strand: chain '5' and resid 52 through 57 removed outlier: 7.978A pdb=" N HIS 5 105 " --> pdb=" O GLY 5 77 " (cutoff:3.500A) removed outlier: 5.594A pdb=" N GLY 5 77 " --> pdb=" O HIS 5 105 " (cutoff:3.500A) removed outlier: 6.720A pdb=" N LYS 5 107 " --> pdb=" O MET 5 75 " (cutoff:3.500A) removed outlier: 4.839A pdb=" N MET 5 75 " --> pdb=" O LYS 5 107 " (cutoff:3.500A) removed outlier: 6.774A pdb=" N VAL 5 109 " --> pdb=" O LEU 5 73 " (cutoff:3.500A) Processing sheet with id=148, first strand: chain '5' and resid 83 through 86 removed outlier: 3.721A pdb=" N TYR 5 91 " --> pdb=" O GLY 5 84 " (cutoff:3.500A) Processing sheet with id=149, first strand: chain '6' and resid 82 through 84 Processing sheet with id=150, first strand: chain '6' and resid 151 through 154 Processing sheet with id=151, first strand: chain '6' and resid 159 through 163 removed outlier: 6.623A pdb=" N THR 6 160 " --> pdb=" O VAL 6 172 " (cutoff:3.500A) removed outlier: 4.449A pdb=" N VAL 6 172 " --> pdb=" O THR 6 160 " (cutoff:3.500A) removed outlier: 6.658A pdb=" N ARG 6 162 " --> pdb=" O LEU 6 170 " (cutoff:3.500A) removed outlier: 7.444A pdb=" N LEU 6 170 " --> pdb=" O LEU 6 209 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N GLU 6 176 " --> pdb=" O LEU 6 203 " (cutoff:3.500A) removed outlier: 6.470A pdb=" N GLN 6 218 " --> pdb=" O ASP 6 227 " (cutoff:3.500A) removed outlier: 7.276A pdb=" N ASP 6 227 " --> pdb=" O GLN 6 218 " (cutoff:3.500A) removed outlier: 7.404A pdb=" N VAL 6 220 " --> pdb=" O ILE 6 225 " (cutoff:3.500A) removed outlier: 6.718A pdb=" N ILE 6 225 " --> pdb=" O VAL 6 220 " (cutoff:3.500A) Processing sheet with id=152, first strand: chain '6' and resid 319 through 321 removed outlier: 6.384A pdb=" N ASN 6 285 " --> pdb=" O VAL c 307 " (cutoff:3.500A) removed outlier: 7.157A pdb=" N THR c 309 " --> pdb=" O ASN 6 285 " (cutoff:3.500A) removed outlier: 5.552A pdb=" N VAL 6 287 " --> pdb=" O THR c 309 " (cutoff:3.500A) Processing sheet with id=153, first strand: chain '7' and resid 53 through 54 Processing sheet with id=154, first strand: chain '7' and resid 83 through 86 Processing sheet with id=155, first strand: chain '8' and resid 6 through 8 removed outlier: 5.908A pdb=" N ILE 8 762 " --> pdb=" O ARG 8 692 " (cutoff:3.500A) removed outlier: 6.856A pdb=" N ARG 8 692 " --> pdb=" O ILE 8 762 " (cutoff:3.500A) removed outlier: 3.900A pdb=" N ASP 8 764 " --> pdb=" O ALA 8 690 " (cutoff:3.500A) removed outlier: 3.804A pdb=" N ARG 8 686 " --> pdb=" O ILE 8 768 " (cutoff:3.500A) removed outlier: 6.525A pdb=" N ARG 8 770 " --> pdb=" O LEU 8 684 " (cutoff:3.500A) removed outlier: 5.614A pdb=" N LEU 8 684 " --> pdb=" O ARG 8 770 " (cutoff:3.500A) removed outlier: 4.835A pdb=" N ARG 8 683 " --> pdb=" O THR 8 743 " (cutoff:3.500A) removed outlier: 6.498A pdb=" N THR 8 743 " --> pdb=" O ARG 8 683 " (cutoff:3.500A) removed outlier: 3.989A pdb=" N LEU 8 685 " --> pdb=" O CYS 8 741 " (cutoff:3.500A) removed outlier: 6.912A pdb=" N SER 8 733 " --> pdb=" O ASN 8 693 " (cutoff:3.500A) Processing sheet with id=156, first strand: chain '8' and resid 31 through 33 removed outlier: 3.576A pdb=" N SER 8 660 " --> pdb=" O THR 8 754 " (cutoff:3.500A) Processing sheet with id=157, first strand: chain '8' and resid 35 through 38 Processing sheet with id=158, first strand: chain '8' and resid 50 through 51 removed outlier: 6.824A pdb=" N TYR 8 556 " --> pdb=" O LEU 8 548 " (cutoff:3.500A) removed outlier: 4.561A pdb=" N LEU 8 548 " --> pdb=" O TYR 8 556 " (cutoff:3.500A) removed outlier: 7.110A pdb=" N PHE 8 558 " --> pdb=" O LEU 8 546 " (cutoff:3.500A) Processing sheet with id=159, first strand: chain '8' and resid 66 through 73 Processing sheet with id=160, first strand: chain '8' and resid 117 through 122 Processing sheet with id=161, first strand: chain '8' and resid 136 through 138 removed outlier: 3.516A pdb=" N VAL 8 136 " --> pdb=" O THR 8 303 " (cutoff:3.500A) Processing sheet with id=162, first strand: chain '8' and resid 216 through 218 Processing sheet with id=163, first strand: chain '8' and resid 174 through 181 removed outlier: 3.744A pdb=" N LYS 8 162 " --> pdb=" O VAL 8 181 " (cutoff:3.500A) removed outlier: 3.583A pdb=" N GLN 8 169 " --> pdb=" O VAL 8 232 " (cutoff:3.500A) Processing sheet with id=164, first strand: chain '8' and resid 249 through 250 Processing sheet with id=165, first strand: chain '8' and resid 345 through 347 Processing sheet with id=166, first strand: chain '8' and resid 359 through 362 Processing sheet with id=167, first strand: chain '8' and resid 397 through 402 removed outlier: 6.984A pdb=" N GLN 8 415 " --> pdb=" O THR 8 434 " (cutoff:3.500A) removed outlier: 3.729A pdb=" N VAL 8 417 " --> pdb=" O ALA 8 432 " (cutoff:3.500A) removed outlier: 4.298A pdb=" N ALA 8 432 " --> pdb=" O VAL 8 417 " (cutoff:3.500A) Processing sheet with id=168, first strand: chain '8' and resid 446 through 448 removed outlier: 3.541A pdb=" N VAL 8 446 " --> pdb=" O LEU 8 453 " (cutoff:3.500A) removed outlier: 3.708A pdb=" N VAL 8 452 " --> pdb=" O PHE 8 468 " (cutoff:3.500A) removed outlier: 3.695A pdb=" N ARG 8 458 " --> pdb=" O TYR 8 462 " (cutoff:3.500A) removed outlier: 6.648A pdb=" N TYR 8 462 " --> pdb=" O ARG 8 458 " (cutoff:3.500A) Processing sheet with id=169, first strand: chain '8' and resid 495 through 501 removed outlier: 6.541A pdb=" N ARG 8 510 " --> pdb=" O MET 8 496 " (cutoff:3.500A) removed outlier: 4.608A pdb=" N MET 8 498 " --> pdb=" O PHE 8 508 " (cutoff:3.500A) removed outlier: 6.979A pdb=" N PHE 8 508 " --> pdb=" O MET 8 498 " (cutoff:3.500A) removed outlier: 4.810A pdb=" N VAL 8 500 " --> pdb=" O VAL 8 506 " (cutoff:3.500A) removed outlier: 6.962A pdb=" N VAL 8 506 " --> pdb=" O VAL 8 500 " (cutoff:3.500A) removed outlier: 5.229A pdb=" N TYR 8 511 " --> pdb=" O SER 8 517 " (cutoff:3.500A) removed outlier: 6.446A pdb=" N SER 8 517 " --> pdb=" O TYR 8 511 " (cutoff:3.500A) removed outlier: 6.390A pdb=" N GLU 8 522 " --> pdb=" O GLY 8 534 " (cutoff:3.500A) removed outlier: 3.942A pdb=" N GLY 8 534 " --> pdb=" O GLU 8 522 " (cutoff:3.500A) removed outlier: 6.351A pdb=" N LEU 8 524 " --> pdb=" O ALA 8 532 " (cutoff:3.500A) Processing sheet with id=170, first strand: chain '8' and resid 495 through 501 removed outlier: 6.541A pdb=" N ARG 8 510 " --> pdb=" O MET 8 496 " (cutoff:3.500A) removed outlier: 4.608A pdb=" N MET 8 498 " --> pdb=" O PHE 8 508 " (cutoff:3.500A) removed outlier: 6.979A pdb=" N PHE 8 508 " --> pdb=" O MET 8 498 " (cutoff:3.500A) removed outlier: 4.810A pdb=" N VAL 8 500 " --> pdb=" O VAL 8 506 " (cutoff:3.500A) removed outlier: 6.962A pdb=" N VAL 8 506 " --> pdb=" O VAL 8 500 " (cutoff:3.500A) removed outlier: 5.229A pdb=" N TYR 8 511 " --> pdb=" O SER 8 517 " (cutoff:3.500A) removed outlier: 6.446A pdb=" N SER 8 517 " --> pdb=" O TYR 8 511 " (cutoff:3.500A) Processing sheet with id=171, first strand: chain '8' and resid 589 through 596 removed outlier: 5.376A pdb=" N MET 8 590 " --> pdb=" O TYR 8 656 " (cutoff:3.500A) removed outlier: 4.454A pdb=" N TYR 8 656 " --> pdb=" O MET 8 590 " (cutoff:3.500A) removed outlier: 3.619A pdb=" N GLY 8 655 " --> pdb=" O ALA 8 617 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N LEU 8 618 " --> pdb=" O LEU 8 630 " (cutoff:3.500A) Processing sheet with id=172, first strand: chain '8' and resid 600 through 602 Processing sheet with id=173, first strand: chain '9' and resid 5 through 6 Processing sheet with id=174, first strand: chain '9' and resid 44 through 47 removed outlier: 3.941A pdb=" N ASN 9 46 " --> pdb=" O LEU 9 50 " (cutoff:3.500A) removed outlier: 6.858A pdb=" N LEU 9 50 " --> pdb=" O ASN 9 46 " (cutoff:3.500A) Processing sheet with id=175, first strand: chain '9' and resid 117 through 121 removed outlier: 5.813A pdb=" N LEU b 126 " --> pdb=" O MET 9 118 " (cutoff:3.500A) removed outlier: 6.074A pdb=" N GLY 9 120 " --> pdb=" O LEU b 126 " (cutoff:3.500A) Processing sheet with id=176, first strand: chain 'a' and resid 5 through 8 removed outlier: 4.922A pdb=" N LEU a 31 " --> pdb=" O ILE a 38 " (cutoff:3.500A) Processing sheet with id=177, first strand: chain 'a' and resid 16 through 17 removed outlier: 6.634A pdb=" N LEU a 50 " --> pdb=" O ASN a 46 " (cutoff:3.500A) Processing sheet with id=178, first strand: chain 'b' and resid 7 through 10 removed outlier: 3.561A pdb=" N GLY b 61 " --> pdb=" O VAL b 10 " (cutoff:3.500A) Processing sheet with id=179, first strand: chain 'b' and resid 16 through 17 removed outlier: 6.777A pdb=" N LEU b 50 " --> pdb=" O ASN b 46 " (cutoff:3.500A) Processing sheet with id=180, first strand: chain 'c' and resid 82 through 84 Processing sheet with id=181, first strand: chain 'c' and resid 151 through 154 Processing sheet with id=182, first strand: chain 'c' and resid 159 through 163 removed outlier: 6.537A pdb=" N THR c 160 " --> pdb=" O VAL c 172 " (cutoff:3.500A) removed outlier: 4.437A pdb=" N VAL c 172 " --> pdb=" O THR c 160 " (cutoff:3.500A) removed outlier: 6.797A pdb=" N ARG c 162 " --> pdb=" O LEU c 170 " (cutoff:3.500A) removed outlier: 7.348A pdb=" N LEU c 170 " --> pdb=" O LEU c 209 " (cutoff:3.500A) removed outlier: 7.247A pdb=" N PHE c 214 " --> pdb=" O SER c 229 " (cutoff:3.500A) removed outlier: 7.138A pdb=" N SER c 229 " --> pdb=" O PHE c 214 " (cutoff:3.500A) removed outlier: 7.276A pdb=" N ILE c 216 " --> pdb=" O ASP c 227 " (cutoff:3.500A) removed outlier: 7.168A pdb=" N ASP c 227 " --> pdb=" O ILE c 216 " (cutoff:3.500A) removed outlier: 4.508A pdb=" N GLN c 218 " --> pdb=" O ILE c 225 " (cutoff:3.500A) Processing sheet with id=183, first strand: chain 'c' and resid 285 through 287 Processing sheet with id=184, first strand: chain 'd' and resid 52 through 57 removed outlier: 7.978A pdb=" N HIS d 105 " --> pdb=" O GLY d 77 " (cutoff:3.500A) removed outlier: 5.594A pdb=" N GLY d 77 " --> pdb=" O HIS d 105 " (cutoff:3.500A) removed outlier: 6.719A pdb=" N LYS d 107 " --> pdb=" O MET d 75 " (cutoff:3.500A) removed outlier: 4.839A pdb=" N MET d 75 " --> pdb=" O LYS d 107 " (cutoff:3.500A) removed outlier: 6.774A pdb=" N VAL d 109 " --> pdb=" O LEU d 73 " (cutoff:3.500A) Processing sheet with id=185, first strand: chain 'd' and resid 83 through 86 removed outlier: 3.722A pdb=" N TYR d 91 " --> pdb=" O GLY d 84 " (cutoff:3.500A) Processing sheet with id=186, first strand: chain 'e' and resid 82 through 84 Processing sheet with id=187, first strand: chain 'e' and resid 151 through 154 Processing sheet with id=188, first strand: chain 'e' and resid 159 through 163 removed outlier: 6.624A pdb=" N THR e 160 " --> pdb=" O VAL e 172 " (cutoff:3.500A) removed outlier: 4.449A pdb=" N VAL e 172 " --> pdb=" O THR e 160 " (cutoff:3.500A) removed outlier: 6.658A pdb=" N ARG e 162 " --> pdb=" O LEU e 170 " (cutoff:3.500A) removed outlier: 7.444A pdb=" N LEU e 170 " --> pdb=" O LEU e 209 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N GLU e 176 " --> pdb=" O LEU e 203 " (cutoff:3.500A) removed outlier: 6.470A pdb=" N GLN e 218 " --> pdb=" O ASP e 227 " (cutoff:3.500A) removed outlier: 7.276A pdb=" N ASP e 227 " --> pdb=" O GLN e 218 " (cutoff:3.500A) removed outlier: 7.404A pdb=" N VAL e 220 " --> pdb=" O ILE e 225 " (cutoff:3.500A) removed outlier: 6.718A pdb=" N ILE e 225 " --> pdb=" O VAL e 220 " (cutoff:3.500A) Processing sheet with id=189, first strand: chain 'e' and resid 319 through 321 removed outlier: 6.384A pdb=" N ASN e 285 " --> pdb=" O VAL k 307 " (cutoff:3.500A) removed outlier: 7.157A pdb=" N THR k 309 " --> pdb=" O ASN e 285 " (cutoff:3.500A) removed outlier: 5.552A pdb=" N VAL e 287 " --> pdb=" O THR k 309 " (cutoff:3.500A) Processing sheet with id=190, first strand: chain 'f' and resid 53 through 54 Processing sheet with id=191, first strand: chain 'f' and resid 83 through 86 Processing sheet with id=192, first strand: chain 'g' and resid 6 through 8 removed outlier: 5.908A pdb=" N ILE g 762 " --> pdb=" O ARG g 692 " (cutoff:3.500A) removed outlier: 6.856A pdb=" N ARG g 692 " --> pdb=" O ILE g 762 " (cutoff:3.500A) removed outlier: 3.900A pdb=" N ASP g 764 " --> pdb=" O ALA g 690 " (cutoff:3.500A) removed outlier: 3.804A pdb=" N ARG g 686 " --> pdb=" O ILE g 768 " (cutoff:3.500A) removed outlier: 6.525A pdb=" N ARG g 770 " --> pdb=" O LEU g 684 " (cutoff:3.500A) removed outlier: 5.613A pdb=" N LEU g 684 " --> pdb=" O ARG g 770 " (cutoff:3.500A) removed outlier: 4.835A pdb=" N ARG g 683 " --> pdb=" O THR g 743 " (cutoff:3.500A) removed outlier: 6.497A pdb=" N THR g 743 " --> pdb=" O ARG g 683 " (cutoff:3.500A) removed outlier: 3.988A pdb=" N LEU g 685 " --> pdb=" O CYS g 741 " (cutoff:3.500A) removed outlier: 6.913A pdb=" N SER g 733 " --> pdb=" O ASN g 693 " (cutoff:3.500A) Processing sheet with id=193, first strand: chain 'g' and resid 31 through 33 removed outlier: 3.576A pdb=" N SER g 660 " --> pdb=" O THR g 754 " (cutoff:3.500A) Processing sheet with id=194, first strand: chain 'g' and resid 35 through 38 Processing sheet with id=195, first strand: chain 'g' and resid 50 through 51 removed outlier: 6.824A pdb=" N TYR g 556 " --> pdb=" O LEU g 548 " (cutoff:3.500A) removed outlier: 4.561A pdb=" N LEU g 548 " --> pdb=" O TYR g 556 " (cutoff:3.500A) removed outlier: 7.110A pdb=" N PHE g 558 " --> pdb=" O LEU g 546 " (cutoff:3.500A) Processing sheet with id=196, first strand: chain 'g' and resid 66 through 73 Processing sheet with id=197, first strand: chain 'g' and resid 117 through 122 Processing sheet with id=198, first strand: chain 'g' and resid 136 through 138 removed outlier: 3.516A pdb=" N VAL g 136 " --> pdb=" O THR g 303 " (cutoff:3.500A) Processing sheet with id=199, first strand: chain 'g' and resid 216 through 218 Processing sheet with id=200, first strand: chain 'g' and resid 174 through 181 removed outlier: 3.744A pdb=" N LYS g 162 " --> pdb=" O VAL g 181 " (cutoff:3.500A) removed outlier: 3.582A pdb=" N GLN g 169 " --> pdb=" O VAL g 232 " (cutoff:3.500A) Processing sheet with id=201, first strand: chain 'g' and resid 249 through 250 Processing sheet with id=202, first strand: chain 'g' and resid 345 through 347 Processing sheet with id=203, first strand: chain 'g' and resid 359 through 362 Processing sheet with id=204, first strand: chain 'g' and resid 397 through 402 removed outlier: 6.983A pdb=" N GLN g 415 " --> pdb=" O THR g 434 " (cutoff:3.500A) removed outlier: 3.730A pdb=" N VAL g 417 " --> pdb=" O ALA g 432 " (cutoff:3.500A) removed outlier: 4.297A pdb=" N ALA g 432 " --> pdb=" O VAL g 417 " (cutoff:3.500A) Processing sheet with id=205, first strand: chain 'g' and resid 446 through 448 removed outlier: 3.541A pdb=" N VAL g 446 " --> pdb=" O LEU g 453 " (cutoff:3.500A) removed outlier: 3.708A pdb=" N VAL g 452 " --> pdb=" O PHE g 468 " (cutoff:3.500A) removed outlier: 3.695A pdb=" N ARG g 458 " --> pdb=" O TYR g 462 " (cutoff:3.500A) removed outlier: 6.647A pdb=" N TYR g 462 " --> pdb=" O ARG g 458 " (cutoff:3.500A) Processing sheet with id=206, first strand: chain 'g' and resid 495 through 501 removed outlier: 6.541A pdb=" N ARG g 510 " --> pdb=" O MET g 496 " (cutoff:3.500A) removed outlier: 4.608A pdb=" N MET g 498 " --> pdb=" O PHE g 508 " (cutoff:3.500A) removed outlier: 6.979A pdb=" N PHE g 508 " --> pdb=" O MET g 498 " (cutoff:3.500A) removed outlier: 4.810A pdb=" N VAL g 500 " --> pdb=" O VAL g 506 " (cutoff:3.500A) removed outlier: 6.963A pdb=" N VAL g 506 " --> pdb=" O VAL g 500 " (cutoff:3.500A) removed outlier: 5.229A pdb=" N TYR g 511 " --> pdb=" O SER g 517 " (cutoff:3.500A) removed outlier: 6.446A pdb=" N SER g 517 " --> pdb=" O TYR g 511 " (cutoff:3.500A) removed outlier: 6.389A pdb=" N GLU g 522 " --> pdb=" O GLY g 534 " (cutoff:3.500A) removed outlier: 3.942A pdb=" N GLY g 534 " --> pdb=" O GLU g 522 " (cutoff:3.500A) removed outlier: 6.352A pdb=" N LEU g 524 " --> pdb=" O ALA g 532 " (cutoff:3.500A) Processing sheet with id=207, first strand: chain 'g' and resid 495 through 501 removed outlier: 6.541A pdb=" N ARG g 510 " --> pdb=" O MET g 496 " (cutoff:3.500A) removed outlier: 4.608A pdb=" N MET g 498 " --> pdb=" O PHE g 508 " (cutoff:3.500A) removed outlier: 6.979A pdb=" N PHE g 508 " --> pdb=" O MET g 498 " (cutoff:3.500A) removed outlier: 4.810A pdb=" N VAL g 500 " --> pdb=" O VAL g 506 " (cutoff:3.500A) removed outlier: 6.963A pdb=" N VAL g 506 " --> pdb=" O VAL g 500 " (cutoff:3.500A) removed outlier: 5.229A pdb=" N TYR g 511 " --> pdb=" O SER g 517 " (cutoff:3.500A) removed outlier: 6.446A pdb=" N SER g 517 " --> pdb=" O TYR g 511 " (cutoff:3.500A) Processing sheet with id=208, first strand: chain 'g' and resid 589 through 596 removed outlier: 5.376A pdb=" N MET g 590 " --> pdb=" O TYR g 656 " (cutoff:3.500A) removed outlier: 4.454A pdb=" N TYR g 656 " --> pdb=" O MET g 590 " (cutoff:3.500A) removed outlier: 3.619A pdb=" N GLY g 655 " --> pdb=" O ALA g 617 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N LEU g 618 " --> pdb=" O LEU g 630 " (cutoff:3.500A) Processing sheet with id=209, first strand: chain 'g' and resid 600 through 602 Processing sheet with id=210, first strand: chain 'h' and resid 5 through 6 Processing sheet with id=211, first strand: chain 'h' and resid 44 through 47 removed outlier: 3.941A pdb=" N ASN h 46 " --> pdb=" O LEU h 50 " (cutoff:3.500A) removed outlier: 6.858A pdb=" N LEU h 50 " --> pdb=" O ASN h 46 " (cutoff:3.500A) Processing sheet with id=212, first strand: chain 'h' and resid 117 through 121 removed outlier: 5.812A pdb=" N LEU j 126 " --> pdb=" O MET h 118 " (cutoff:3.500A) removed outlier: 6.074A pdb=" N GLY h 120 " --> pdb=" O LEU j 126 " (cutoff:3.500A) Processing sheet with id=213, first strand: chain 'i' and resid 5 through 8 removed outlier: 4.922A pdb=" N LEU i 31 " --> pdb=" O ILE i 38 " (cutoff:3.500A) Processing sheet with id=214, first strand: chain 'i' and resid 16 through 17 removed outlier: 6.633A pdb=" N LEU i 50 " --> pdb=" O ASN i 46 " (cutoff:3.500A) Processing sheet with id=215, first strand: chain 'j' and resid 7 through 10 removed outlier: 3.561A pdb=" N GLY j 61 " --> pdb=" O VAL j 10 " (cutoff:3.500A) Processing sheet with id=216, first strand: chain 'j' and resid 16 through 17 removed outlier: 6.777A pdb=" N LEU j 50 " --> pdb=" O ASN j 46 " (cutoff:3.500A) Processing sheet with id=217, first strand: chain 'k' and resid 82 through 84 Processing sheet with id=218, first strand: chain 'k' and resid 151 through 154 Processing sheet with id=219, first strand: chain 'k' and resid 159 through 163 removed outlier: 6.538A pdb=" N THR k 160 " --> pdb=" O VAL k 172 " (cutoff:3.500A) removed outlier: 4.438A pdb=" N VAL k 172 " --> pdb=" O THR k 160 " (cutoff:3.500A) removed outlier: 6.797A pdb=" N ARG k 162 " --> pdb=" O LEU k 170 " (cutoff:3.500A) removed outlier: 7.348A pdb=" N LEU k 170 " --> pdb=" O LEU k 209 " (cutoff:3.500A) removed outlier: 7.247A pdb=" N PHE k 214 " --> pdb=" O SER k 229 " (cutoff:3.500A) removed outlier: 7.138A pdb=" N SER k 229 " --> pdb=" O PHE k 214 " (cutoff:3.500A) removed outlier: 7.277A pdb=" N ILE k 216 " --> pdb=" O ASP k 227 " (cutoff:3.500A) removed outlier: 7.168A pdb=" N ASP k 227 " --> pdb=" O ILE k 216 " (cutoff:3.500A) removed outlier: 4.507A pdb=" N GLN k 218 " --> pdb=" O ILE k 225 " (cutoff:3.500A) Processing sheet with id=220, first strand: chain 'k' and resid 285 through 287 Processing sheet with id=221, first strand: chain 'l' and resid 52 through 57 removed outlier: 7.978A pdb=" N HIS l 105 " --> pdb=" O GLY l 77 " (cutoff:3.500A) removed outlier: 5.594A pdb=" N GLY l 77 " --> pdb=" O HIS l 105 " (cutoff:3.500A) removed outlier: 6.720A pdb=" N LYS l 107 " --> pdb=" O MET l 75 " (cutoff:3.500A) removed outlier: 4.839A pdb=" N MET l 75 " --> pdb=" O LYS l 107 " (cutoff:3.500A) removed outlier: 6.774A pdb=" N VAL l 109 " --> pdb=" O LEU l 73 " (cutoff:3.500A) Processing sheet with id=222, first strand: chain 'l' and resid 83 through 86 removed outlier: 3.722A pdb=" N TYR l 91 " --> pdb=" O GLY l 84 " (cutoff:3.500A) 4824 hydrogen bonds defined for protein. 13572 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: 65.29 Time building geometry restraints manager: 34.92 seconds NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Histogram of bond lengths: 1.22 - 1.34: 37006 1.34 - 1.46: 17704 1.46 - 1.57: 57502 1.57 - 1.69: 0 1.69 - 1.81: 618 Bond restraints: 112830 Sorted by residual: bond pdb=" N ASN 4 212 " pdb=" CA ASN 4 212 " ideal model delta sigma weight residual 1.457 1.475 -0.017 1.29e-02 6.01e+03 1.79e+00 bond pdb=" N ASN B 212 " pdb=" CA ASN B 212 " ideal model delta sigma weight residual 1.457 1.475 -0.017 1.29e-02 6.01e+03 1.79e+00 bond pdb=" N ASN O 212 " pdb=" CA ASN O 212 " ideal model delta sigma weight residual 1.457 1.475 -0.017 1.29e-02 6.01e+03 1.77e+00 bond pdb=" N ASN c 212 " pdb=" CA ASN c 212 " ideal model delta sigma weight residual 1.457 1.475 -0.017 1.29e-02 6.01e+03 1.77e+00 bond pdb=" N ASN W 212 " pdb=" CA ASN W 212 " ideal model delta sigma weight residual 1.457 1.474 -0.017 1.29e-02 6.01e+03 1.70e+00 ... (remaining 112825 not shown) Histogram of bond angle deviations from ideal: 99.64 - 106.52: 2448 106.52 - 113.41: 61708 113.41 - 120.29: 38304 120.29 - 127.17: 50382 127.17 - 134.05: 962 Bond angle restraints: 153804 Sorted by residual: angle pdb=" N PRO E 60 " pdb=" CA PRO E 60 " pdb=" CB PRO E 60 " ideal model delta sigma weight residual 103.25 110.80 -7.55 1.05e+00 9.07e-01 5.18e+01 angle pdb=" N PRO 0 60 " pdb=" CA PRO 0 60 " pdb=" CB PRO 0 60 " ideal model delta sigma weight residual 103.25 110.80 -7.55 1.05e+00 9.07e-01 5.18e+01 angle pdb=" N PRO K 60 " pdb=" CA PRO K 60 " pdb=" CB PRO K 60 " ideal model delta sigma weight residual 103.25 110.76 -7.51 1.05e+00 9.07e-01 5.12e+01 angle pdb=" N PRO 8 60 " pdb=" CA PRO 8 60 " pdb=" CB PRO 8 60 " ideal model delta sigma weight residual 103.25 110.76 -7.51 1.05e+00 9.07e-01 5.12e+01 angle pdb=" N PRO g 60 " pdb=" CA PRO g 60 " pdb=" CB PRO g 60 " ideal model delta sigma weight residual 103.25 110.75 -7.50 1.05e+00 9.07e-01 5.10e+01 ... (remaining 153799 not shown) Histogram of dihedral angle deviations from ideal: 0.00 - 16.92: 60368 16.92 - 33.84: 4952 33.84 - 50.76: 1112 50.76 - 67.68: 192 67.68 - 84.59: 192 Dihedral angle restraints: 66816 sinusoidal: 23898 harmonic: 42918 Sorted by residual: dihedral pdb=" CA ASN X 62 " pdb=" C ASN X 62 " pdb=" N PRO X 63 " pdb=" CA PRO X 63 " ideal model delta harmonic sigma weight residual -180.00 -157.16 -22.84 0 5.00e+00 4.00e-02 2.09e+01 dihedral pdb=" CA ASN l 62 " pdb=" C ASN l 62 " pdb=" N PRO l 63 " pdb=" CA PRO l 63 " ideal model delta harmonic sigma weight residual -180.00 -157.16 -22.84 0 5.00e+00 4.00e-02 2.09e+01 dihedral pdb=" CA ASN 5 62 " pdb=" C ASN 5 62 " pdb=" N PRO 5 63 " pdb=" CA PRO 5 63 " ideal model delta harmonic sigma weight residual -180.00 -157.17 -22.83 0 5.00e+00 4.00e-02 2.09e+01 ... (remaining 66813 not shown) Histogram of chiral volume deviations from ideal: 0.000 - 0.037: 13030 0.037 - 0.073: 3284 0.073 - 0.110: 1288 0.110 - 0.147: 312 0.147 - 0.183: 14 Chirality restraints: 17928 Sorted by residual: chirality pdb=" CA PRO E 60 " pdb=" N PRO E 60 " pdb=" C PRO E 60 " pdb=" CB PRO E 60 " both_signs ideal model delta sigma weight residual False 2.72 2.54 0.18 2.00e-01 2.50e+01 8.41e-01 chirality pdb=" CA PRO 0 60 " pdb=" N PRO 0 60 " pdb=" C PRO 0 60 " pdb=" CB PRO 0 60 " both_signs ideal model delta sigma weight residual False 2.72 2.54 0.18 2.00e-01 2.50e+01 8.41e-01 chirality pdb=" CA PRO g 60 " pdb=" N PRO g 60 " pdb=" C PRO g 60 " pdb=" CB PRO g 60 " both_signs ideal model delta sigma weight residual False 2.72 2.54 0.18 2.00e-01 2.50e+01 8.37e-01 ... (remaining 17925 not shown) Planarity restraints: 19932 Sorted by residual: delta sigma weight rms_deltas residual plane pdb=" C SER A 87 " 0.066 5.00e-02 4.00e+02 9.95e-02 1.58e+01 pdb=" N PRO A 88 " -0.172 5.00e-02 4.00e+02 pdb=" CA PRO A 88 " 0.052 5.00e-02 4.00e+02 pdb=" CD PRO A 88 " 0.054 5.00e-02 4.00e+02 delta sigma weight rms_deltas residual plane pdb=" C SER Y 87 " -0.066 5.00e-02 4.00e+02 9.95e-02 1.58e+01 pdb=" N PRO Y 88 " 0.172 5.00e-02 4.00e+02 pdb=" CA PRO Y 88 " -0.052 5.00e-02 4.00e+02 pdb=" CD PRO Y 88 " -0.054 5.00e-02 4.00e+02 delta sigma weight rms_deltas residual plane pdb=" C SER Q 87 " -0.066 5.00e-02 4.00e+02 9.94e-02 1.58e+01 pdb=" N PRO Q 88 " 0.172 5.00e-02 4.00e+02 pdb=" CA PRO Q 88 " -0.052 5.00e-02 4.00e+02 pdb=" CD PRO Q 88 " -0.054 5.00e-02 4.00e+02 ... (remaining 19929 not shown) Histogram of nonbonded interaction distances: 0.95 - 1.74: 168 1.74 - 2.53: 1206 2.53 - 3.32: 132660 3.32 - 4.11: 274046 4.11 - 4.90: 507566 Warning: very small nonbonded interaction distances. Nonbonded interactions: 915646 Sorted by model distance: nonbonded pdb=" OG SER A 105 " pdb=" OG SER k 470 " model vdw 0.946 2.440 nonbonded pdb=" OG SER W 470 " pdb=" OG SER Y 105 " model vdw 0.946 2.440 nonbonded pdb=" OG SER c 470 " pdb=" OG SER e 105 " model vdw 0.946 2.440 nonbonded pdb=" OG SER O 470 " pdb=" OG SER Q 105 " model vdw 0.946 2.440 nonbonded pdb=" OG SER 4 470 " pdb=" OG SER 6 105 " model vdw 0.946 2.440 ... (remaining 915641 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 '0' selection = chain '8' selection = chain 'E' selection = chain 'K' selection = chain 'S' selection = chain 'g' } ncs_group { reference = (chain '1' and (resid 4 through 7 or (resid 8 through 17 and (name N or name CA \ or name C or name O or name CB )) or resid 18 through 21 or (resid 22 and (name \ N or name CA or name C or name O or name CB )) or resid 23 through 145)) selection = (chain '2' and (resid 4 through 8 or (resid 14 through 17 and (name N or name CA \ or name C or name O or name CB )) or resid 18 through 19 or (resid 20 and (name \ N or name CA or name C or name O or name CB )) or resid 21 through 34 or (resid \ 35 and (name N or name CA or name C or name O or name CB )) or resid 36 through \ 51 or (resid 52 and (name N or name CA or name C or name O or name CB )) or res \ id 53 or resid 64 through 69 or (resid 70 and (name N or name CA or name C or na \ me O or name CB )) or resid 71 or (resid 72 and (name N or name CA or name C or \ name O or name CB )) or resid 73 through 141 or (resid 142 and (name N or name C \ A or name C or name O or name CB )) or resid 143 through 145)) selection = (chain '3' and (resid 4 through 6 or (resid 7 through 8 and (name N or name CA o \ r name C or name O or name CB )) or (resid 14 through 17 and (name N or name CA \ or name C or name O or name CB )) or resid 18 through 19 or (resid 20 and (name \ N or name CA or name C or name O or name CB )) or resid 21 through 34 or (resid \ 35 and (name N or name CA or name C or name O or name CB )) or resid 36 through \ 51 or (resid 52 and (name N or name CA or name C or name O or name CB )) or resi \ d 53 or resid 64 through 69 or (resid 70 and (name N or name CA or name C or nam \ e O or name CB )) or resid 71 or (resid 72 and (name N or name CA or name C or n \ ame O or name CB )) or resid 73 through 127 or (resid 128 and (name N or name CA \ or name C or name O or name CB )) or resid 129 through 145)) selection = (chain '9' and (resid 4 through 7 or (resid 8 through 17 and (name N or name CA \ or name C or name O or name CB )) or resid 18 through 21 or (resid 22 and (name \ N or name CA or name C or name O or name CB )) or resid 23 through 145)) selection = (chain 'F' and (resid 4 through 6 or (resid 7 through 8 and (name N or name CA o \ r name C or name O or name CB )) or (resid 14 through 17 and (name N or name CA \ or name C or name O or name CB )) or resid 18 through 19 or (resid 20 and (name \ N or name CA or name C or name O or name CB )) or resid 21 through 34 or (resid \ 35 and (name N or name CA or name C or name O or name CB )) or resid 36 through \ 51 or (resid 52 and (name N or name CA or name C or name O or name CB )) or resi \ d 53 or resid 64 through 69 or (resid 70 and (name N or name CA or name C or nam \ e O or name CB )) or resid 71 or (resid 72 and (name N or name CA or name C or n \ ame O or name CB )) or resid 73 through 127 or (resid 128 and (name N or name CA \ or name C or name O or name CB )) or resid 129 through 145)) selection = (chain 'G' and (resid 4 through 7 or (resid 8 through 17 and (name N or name CA \ or name C or name O or name CB )) or resid 18 through 21 or (resid 22 and (name \ N or name CA or name C or name O or name CB )) or resid 23 through 145)) selection = (chain 'H' and (resid 4 through 8 or (resid 14 through 17 and (name N or name CA \ or name C or name O or name CB )) or resid 18 through 19 or (resid 20 and (name \ N or name CA or name C or name O or name CB )) or resid 21 through 34 or (resid \ 35 and (name N or name CA or name C or name O or name CB )) or resid 36 through \ 51 or (resid 52 and (name N or name CA or name C or name O or name CB )) or res \ id 53 or resid 64 through 69 or (resid 70 and (name N or name CA or name C or na \ me O or name CB )) or resid 71 or (resid 72 and (name N or name CA or name C or \ name O or name CB )) or resid 73 through 141 or (resid 142 and (name N or name C \ A or name C or name O or name CB )) or resid 143 through 145)) selection = (chain 'L' and (resid 4 through 7 or (resid 8 through 17 and (name N or name CA \ or name C or name O or name CB )) or resid 18 through 21 or (resid 22 and (name \ N or name CA or name C or name O or name CB )) or resid 23 through 145)) selection = (chain 'M' and (resid 4 through 8 or (resid 14 through 17 and (name N or name CA \ or name C or name O or name CB )) or resid 18 through 19 or (resid 20 and (name \ N or name CA or name C or name O or name CB )) or resid 21 through 34 or (resid \ 35 and (name N or name CA or name C or name O or name CB )) or resid 36 through \ 51 or (resid 52 and (name N or name CA or name C or name O or name CB )) or res \ id 53 or resid 64 through 69 or (resid 70 and (name N or name CA or name C or na \ me O or name CB )) or resid 71 or (resid 72 and (name N or name CA or name C or \ name O or name CB )) or resid 73 through 141 or (resid 142 and (name N or name C \ A or name C or name O or name CB )) or resid 143 through 145)) selection = (chain 'N' and (resid 4 through 6 or (resid 7 through 8 and (name N or name CA o \ r name C or name O or name CB )) or (resid 14 through 17 and (name N or name CA \ or name C or name O or name CB )) or resid 18 through 19 or (resid 20 and (name \ N or name CA or name C or name O or name CB )) or resid 21 through 34 or (resid \ 35 and (name N or name CA or name C or name O or name CB )) or resid 36 through \ 51 or (resid 52 and (name N or name CA or name C or name O or name CB )) or resi \ d 53 or resid 64 through 69 or (resid 70 and (name N or name CA or name C or nam \ e O or name CB )) or resid 71 or (resid 72 and (name N or name CA or name C or n \ ame O or name CB )) or resid 73 through 127 or (resid 128 and (name N or name CA \ or name C or name O or name CB )) or resid 129 through 145)) selection = (chain 'T' and (resid 4 through 7 or (resid 8 through 17 and (name N or name CA \ or name C or name O or name CB )) or resid 18 through 21 or (resid 22 and (name \ N or name CA or name C or name O or name CB )) or resid 23 through 145)) selection = (chain 'U' and (resid 4 through 8 or (resid 14 through 17 and (name N or name CA \ or name C or name O or name CB )) or resid 18 through 19 or (resid 20 and (name \ N or name CA or name C or name O or name CB )) or resid 21 through 34 or (resid \ 35 and (name N or name CA or name C or name O or name CB )) or resid 36 through \ 51 or (resid 52 and (name N or name CA or name C or name O or name CB )) or res \ id 53 or resid 64 through 69 or (resid 70 and (name N or name CA or name C or na \ me O or name CB )) or resid 71 or (resid 72 and (name N or name CA or name C or \ name O or name CB )) or resid 73 through 141 or (resid 142 and (name N or name C \ A or name C or name O or name CB )) or resid 143 through 145)) selection = (chain 'V' and (resid 4 through 6 or (resid 7 through 8 and (name N or name CA o \ r name C or name O or name CB )) or (resid 14 through 17 and (name N or name CA \ or name C or name O or name CB )) or resid 18 through 19 or (resid 20 and (name \ N or name CA or name C or name O or name CB )) or resid 21 through 34 or (resid \ 35 and (name N or name CA or name C or name O or name CB )) or resid 36 through \ 51 or (resid 52 and (name N or name CA or name C or name O or name CB )) or resi \ d 53 or resid 64 through 69 or (resid 70 and (name N or name CA or name C or nam \ e O or name CB )) or resid 71 or (resid 72 and (name N or name CA or name C or n \ ame O or name CB )) or resid 73 through 127 or (resid 128 and (name N or name CA \ or name C or name O or name CB )) or resid 129 through 145)) selection = (chain 'a' and (resid 4 through 8 or (resid 14 through 17 and (name N or name CA \ or name C or name O or name CB )) or resid 18 through 19 or (resid 20 and (name \ N or name CA or name C or name O or name CB )) or resid 21 through 34 or (resid \ 35 and (name N or name CA or name C or name O or name CB )) or resid 36 through \ 51 or (resid 52 and (name N or name CA or name C or name O or name CB )) or res \ id 53 or resid 64 through 69 or (resid 70 and (name N or name CA or name C or na \ me O or name CB )) or resid 71 or (resid 72 and (name N or name CA or name C or \ name O or name CB )) or resid 73 through 141 or (resid 142 and (name N or name C \ A or name C or name O or name CB )) or resid 143 through 145)) selection = (chain 'b' and (resid 4 through 6 or (resid 7 through 8 and (name N or name CA o \ r name C or name O or name CB )) or (resid 14 through 17 and (name N or name CA \ or name C or name O or name CB )) or resid 18 through 19 or (resid 20 and (name \ N or name CA or name C or name O or name CB )) or resid 21 through 34 or (resid \ 35 and (name N or name CA or name C or name O or name CB )) or resid 36 through \ 51 or (resid 52 and (name N or name CA or name C or name O or name CB )) or resi \ d 53 or resid 64 through 69 or (resid 70 and (name N or name CA or name C or nam \ e O or name CB )) or resid 71 or (resid 72 and (name N or name CA or name C or n \ ame O or name CB )) or resid 73 through 127 or (resid 128 and (name N or name CA \ or name C or name O or name CB )) or resid 129 through 145)) selection = (chain 'h' and (resid 4 through 7 or (resid 8 through 17 and (name N or name CA \ or name C or name O or name CB )) or resid 18 through 21 or (resid 22 and (name \ N or name CA or name C or name O or name CB )) or resid 23 through 145)) selection = (chain 'i' and (resid 4 through 8 or (resid 14 through 17 and (name N or name CA \ or name C or name O or name CB )) or resid 18 through 19 or (resid 20 and (name \ N or name CA or name C or name O or name CB )) or resid 21 through 34 or (resid \ 35 and (name N or name CA or name C or name O or name CB )) or resid 36 through \ 51 or (resid 52 and (name N or name CA or name C or name O or name CB )) or res \ id 53 or resid 64 through 69 or (resid 70 and (name N or name CA or name C or na \ me O or name CB )) or resid 71 or (resid 72 and (name N or name CA or name C or \ name O or name CB )) or resid 73 through 141 or (resid 142 and (name N or name C \ A or name C or name O or name CB )) or resid 143 through 145)) selection = (chain 'j' and (resid 4 through 6 or (resid 7 through 8 and (name N or name CA o \ r name C or name O or name CB )) or (resid 14 through 17 and (name N or name CA \ or name C or name O or name CB )) or resid 18 through 19 or (resid 20 and (name \ N or name CA or name C or name O or name CB )) or resid 21 through 34 or (resid \ 35 and (name N or name CA or name C or name O or name CB )) or resid 36 through \ 51 or (resid 52 and (name N or name CA or name C or name O or name CB )) or resi \ d 53 or resid 64 through 69 or (resid 70 and (name N or name CA or name C or nam \ e O or name CB )) or resid 71 or (resid 72 and (name N or name CA or name C or n \ ame O or name CB )) or resid 73 through 127 or (resid 128 and (name N or name CA \ or name C or name O or name CB )) or resid 129 through 145)) } ncs_group { reference = (chain '4' and (resid 7 through 14 or (resid 15 and (name N or name CA or name C \ or name O or name CB )) or resid 16 through 17 or (resid 18 and (name N or name \ CA or name C or name O or name CB )) or resid 19 through 25 or (resid 26 and (n \ ame N or name CA or name C or name O or name CB )) or resid 27 through 39 or (re \ sid 40 through 41 and (name N or name CA or name C or name O or name CB )) or re \ sid 42 through 43 or (resid 44 through 45 and (name N or name CA or name C or na \ me O or name CB )) or resid 46 through 51 or (resid 52 and (name N or name CA or \ name C or name O or name CB )) or resid 53 through 85 or (resid 86 and (name N \ or name CA or name C or name O or name CB )) or resid 87 through 96 or (resid 97 \ and (name N or name CA or name C or name O or name CB )) or resid 98 through 99 \ or (resid 100 and (name N or name CA or name C or name O or name CB )) or resid \ 101 through 120 or (resid 121 and (name N or name CA or name C or name O or nam \ e CB )) or resid 122 through 198 or (resid 199 and (name N or name CA or name C \ or name O or name CB )) or resid 200 through 210 or (resid 211 and (name N or na \ me CA or name C or name O or name CB )) or resid 212 through 226 or (resid 227 t \ hrough 228 and (name N or name CA or name C or name O or name CB )) or resid 229 \ through 278 or (resid 279 through 281 and (name N or name CA or name C or name \ O or name CB )) or resid 282 through 301 or (resid 302 and (name N or name CA or \ name C or name O or name CB )) or resid 303 through 340 or (resid 341 and (name \ N or name CA or name C or name O or name CB )) or resid 342 or (resid 343 and ( \ name N or name CA or name C or name O or name CB )) or resid 344 through 374 or \ (resid 375 and (name N or name CA or name C or name O or name CB )) or resid 376 \ through 463 or (resid 464 through 465 and (name N or name CA or name C or name \ O or name CB )) or resid 466 through 473 or (resid 474 and (name N or name CA or \ name C or name O or name CB )) or resid 475 through 487)) selection = (chain '6' and (resid 7 through 110 or (resid 111 and (name N or name CA or name \ C or name O or name CB )) or resid 112 through 233 or (resid 234 and (name N or \ name CA or name C or name O or name CB )) or resid 235 through 372 or (resid 37 \ 3 and (name N or name CA or name C or name O or name CB )) or resid 374 through \ 412 or (resid 413 through 415 and (name N or name CA or name C or name O or name \ CB )) or resid 416 through 459 or (resid 460 and (name N or name CA or name C o \ r name O or name CB )) or resid 461 through 471 or (resid 472 and (name N or nam \ e CA or name C or name O or name CB )) or resid 473 through 487)) selection = (chain 'A' and (resid 7 through 110 or (resid 111 and (name N or name CA or name \ C or name O or name CB )) or resid 112 through 233 or (resid 234 and (name N or \ name CA or name C or name O or name CB )) or resid 235 through 372 or (resid 37 \ 3 and (name N or name CA or name C or name O or name CB )) or resid 374 through \ 412 or (resid 413 through 415 and (name N or name CA or name C or name O or name \ CB )) or resid 416 through 459 or (resid 460 and (name N or name CA or name C o \ r name O or name CB )) or resid 461 through 471 or (resid 472 and (name N or nam \ e CA or name C or name O or name CB )) or resid 473 through 487)) selection = (chain 'B' and (resid 7 through 14 or (resid 15 and (name N or name CA or name C \ or name O or name CB )) or resid 16 through 17 or (resid 18 and (name N or name \ CA or name C or name O or name CB )) or resid 19 through 25 or (resid 26 and (n \ ame N or name CA or name C or name O or name CB )) or resid 27 through 39 or (re \ sid 40 through 41 and (name N or name CA or name C or name O or name CB )) or re \ sid 42 through 43 or (resid 44 through 45 and (name N or name CA or name C or na \ me O or name CB )) or resid 46 through 51 or (resid 52 and (name N or name CA or \ name C or name O or name CB )) or resid 53 through 85 or (resid 86 and (name N \ or name CA or name C or name O or name CB )) or resid 87 through 96 or (resid 97 \ and (name N or name CA or name C or name O or name CB )) or resid 98 through 99 \ or (resid 100 and (name N or name CA or name C or name O or name CB )) or resid \ 101 through 120 or (resid 121 and (name N or name CA or name C or name O or nam \ e CB )) or resid 122 through 198 or (resid 199 and (name N or name CA or name C \ or name O or name CB )) or resid 200 through 210 or (resid 211 and (name N or na \ me CA or name C or name O or name CB )) or resid 212 through 226 or (resid 227 t \ hrough 228 and (name N or name CA or name C or name O or name CB )) or resid 229 \ through 278 or (resid 279 through 281 and (name N or name CA or name C or name \ O or name CB )) or resid 282 through 301 or (resid 302 and (name N or name CA or \ name C or name O or name CB )) or resid 303 through 340 or (resid 341 and (name \ N or name CA or name C or name O or name CB )) or resid 342 or (resid 343 and ( \ name N or name CA or name C or name O or name CB )) or resid 344 through 374 or \ (resid 375 and (name N or name CA or name C or name O or name CB )) or resid 376 \ through 463 or (resid 464 through 465 and (name N or name CA or name C or name \ O or name CB )) or resid 466 through 473 or (resid 474 and (name N or name CA or \ name C or name O or name CB )) or resid 475 through 487)) selection = (chain 'I' and (resid 7 through 110 or (resid 111 and (name N or name CA or name \ C or name O or name CB )) or resid 112 through 233 or (resid 234 and (name N or \ name CA or name C or name O or name CB )) or resid 235 through 372 or (resid 37 \ 3 and (name N or name CA or name C or name O or name CB )) or resid 374 through \ 412 or (resid 413 through 415 and (name N or name CA or name C or name O or name \ CB )) or resid 416 through 459 or (resid 460 and (name N or name CA or name C o \ r name O or name CB )) or resid 461 through 471 or (resid 472 and (name N or nam \ e CA or name C or name O or name CB )) or resid 473 through 487)) selection = (chain 'O' and (resid 7 through 14 or (resid 15 and (name N or name CA or name C \ or name O or name CB )) or resid 16 through 17 or (resid 18 and (name N or name \ CA or name C or name O or name CB )) or resid 19 through 25 or (resid 26 and (n \ ame N or name CA or name C or name O or name CB )) or resid 27 through 39 or (re \ sid 40 through 41 and (name N or name CA or name C or name O or name CB )) or re \ sid 42 through 43 or (resid 44 through 45 and (name N or name CA or name C or na \ me O or name CB )) or resid 46 through 51 or (resid 52 and (name N or name CA or \ name C or name O or name CB )) or resid 53 through 85 or (resid 86 and (name N \ or name CA or name C or name O or name CB )) or resid 87 through 96 or (resid 97 \ and (name N or name CA or name C or name O or name CB )) or resid 98 through 99 \ or (resid 100 and (name N or name CA or name C or name O or name CB )) or resid \ 101 through 120 or (resid 121 and (name N or name CA or name C or name O or nam \ e CB )) or resid 122 through 198 or (resid 199 and (name N or name CA or name C \ or name O or name CB )) or resid 200 through 210 or (resid 211 and (name N or na \ me CA or name C or name O or name CB )) or resid 212 through 226 or (resid 227 t \ hrough 228 and (name N or name CA or name C or name O or name CB )) or resid 229 \ through 278 or (resid 279 through 281 and (name N or name CA or name C or name \ O or name CB )) or resid 282 through 301 or (resid 302 and (name N or name CA or \ name C or name O or name CB )) or resid 303 through 340 or (resid 341 and (name \ N or name CA or name C or name O or name CB )) or resid 342 or (resid 343 and ( \ name N or name CA or name C or name O or name CB )) or resid 344 through 374 or \ (resid 375 and (name N or name CA or name C or name O or name CB )) or resid 376 \ through 463 or (resid 464 through 465 and (name N or name CA or name C or name \ O or name CB )) or resid 466 through 473 or (resid 474 and (name N or name CA or \ name C or name O or name CB )) or resid 475 through 487)) selection = (chain 'Q' and (resid 7 through 110 or (resid 111 and (name N or name CA or name \ C or name O or name CB )) or resid 112 through 233 or (resid 234 and (name N or \ name CA or name C or name O or name CB )) or resid 235 through 372 or (resid 37 \ 3 and (name N or name CA or name C or name O or name CB )) or resid 374 through \ 412 or (resid 413 through 415 and (name N or name CA or name C or name O or name \ CB )) or resid 416 through 459 or (resid 460 and (name N or name CA or name C o \ r name O or name CB )) or resid 461 through 471 or (resid 472 and (name N or nam \ e CA or name C or name O or name CB )) or resid 473 through 487)) selection = (chain 'W' and (resid 7 through 14 or (resid 15 and (name N or name CA or name C \ or name O or name CB )) or resid 16 through 17 or (resid 18 and (name N or name \ CA or name C or name O or name CB )) or resid 19 through 25 or (resid 26 and (n \ ame N or name CA or name C or name O or name CB )) or resid 27 through 39 or (re \ sid 40 through 41 and (name N or name CA or name C or name O or name CB )) or re \ sid 42 through 43 or (resid 44 through 45 and (name N or name CA or name C or na \ me O or name CB )) or resid 46 through 51 or (resid 52 and (name N or name CA or \ name C or name O or name CB )) or resid 53 through 85 or (resid 86 and (name N \ or name CA or name C or name O or name CB )) or resid 87 through 96 or (resid 97 \ and (name N or name CA or name C or name O or name CB )) or resid 98 through 99 \ or (resid 100 and (name N or name CA or name C or name O or name CB )) or resid \ 101 through 120 or (resid 121 and (name N or name CA or name C or name O or nam \ e CB )) or resid 122 through 198 or (resid 199 and (name N or name CA or name C \ or name O or name CB )) or resid 200 through 210 or (resid 211 and (name N or na \ me CA or name C or name O or name CB )) or resid 212 through 226 or (resid 227 t \ hrough 228 and (name N or name CA or name C or name O or name CB )) or resid 229 \ through 278 or (resid 279 through 281 and (name N or name CA or name C or name \ O or name CB )) or resid 282 through 301 or (resid 302 and (name N or name CA or \ name C or name O or name CB )) or resid 303 through 340 or (resid 341 and (name \ N or name CA or name C or name O or name CB )) or resid 342 or (resid 343 and ( \ name N or name CA or name C or name O or name CB )) or resid 344 through 374 or \ (resid 375 and (name N or name CA or name C or name O or name CB )) or resid 376 \ through 463 or (resid 464 through 465 and (name N or name CA or name C or name \ O or name CB )) or resid 466 through 473 or (resid 474 and (name N or name CA or \ name C or name O or name CB )) or resid 475 through 487)) selection = (chain 'Y' and (resid 7 through 110 or (resid 111 and (name N or name CA or name \ C or name O or name CB )) or resid 112 through 233 or (resid 234 and (name N or \ name CA or name C or name O or name CB )) or resid 235 through 372 or (resid 37 \ 3 and (name N or name CA or name C or name O or name CB )) or resid 374 through \ 412 or (resid 413 through 415 and (name N or name CA or name C or name O or name \ CB )) or resid 416 through 459 or (resid 460 and (name N or name CA or name C o \ r name O or name CB )) or resid 461 through 471 or (resid 472 and (name N or nam \ e CA or name C or name O or name CB )) or resid 473 through 487)) selection = (chain 'c' and (resid 7 through 14 or (resid 15 and (name N or name CA or name C \ or name O or name CB )) or resid 16 through 17 or (resid 18 and (name N or name \ CA or name C or name O or name CB )) or resid 19 through 25 or (resid 26 and (n \ ame N or name CA or name C or name O or name CB )) or resid 27 through 39 or (re \ sid 40 through 41 and (name N or name CA or name C or name O or name CB )) or re \ sid 42 through 43 or (resid 44 through 45 and (name N or name CA or name C or na \ me O or name CB )) or resid 46 through 51 or (resid 52 and (name N or name CA or \ name C or name O or name CB )) or resid 53 through 85 or (resid 86 and (name N \ or name CA or name C or name O or name CB )) or resid 87 through 96 or (resid 97 \ and (name N or name CA or name C or name O or name CB )) or resid 98 through 99 \ or (resid 100 and (name N or name CA or name C or name O or name CB )) or resid \ 101 through 120 or (resid 121 and (name N or name CA or name C or name O or nam \ e CB )) or resid 122 through 198 or (resid 199 and (name N or name CA or name C \ or name O or name CB )) or resid 200 through 210 or (resid 211 and (name N or na \ me CA or name C or name O or name CB )) or resid 212 through 226 or (resid 227 t \ hrough 228 and (name N or name CA or name C or name O or name CB )) or resid 229 \ through 278 or (resid 279 through 281 and (name N or name CA or name C or name \ O or name CB )) or resid 282 through 301 or (resid 302 and (name N or name CA or \ name C or name O or name CB )) or resid 303 through 340 or (resid 341 and (name \ N or name CA or name C or name O or name CB )) or resid 342 or (resid 343 and ( \ name N or name CA or name C or name O or name CB )) or resid 344 through 374 or \ (resid 375 and (name N or name CA or name C or name O or name CB )) or resid 376 \ through 463 or (resid 464 through 465 and (name N or name CA or name C or name \ O or name CB )) or resid 466 through 473 or (resid 474 and (name N or name CA or \ name C or name O or name CB )) or resid 475 through 487)) selection = (chain 'e' and (resid 7 through 110 or (resid 111 and (name N or name CA or name \ C or name O or name CB )) or resid 112 through 233 or (resid 234 and (name N or \ name CA or name C or name O or name CB )) or resid 235 through 372 or (resid 37 \ 3 and (name N or name CA or name C or name O or name CB )) or resid 374 through \ 412 or (resid 413 through 415 and (name N or name CA or name C or name O or name \ CB )) or resid 416 through 459 or (resid 460 and (name N or name CA or name C o \ r name O or name CB )) or resid 461 through 471 or (resid 472 and (name N or nam \ e CA or name C or name O or name CB )) or resid 473 through 487)) selection = (chain 'k' and (resid 7 through 14 or (resid 15 and (name N or name CA or name C \ or name O or name CB )) or resid 16 through 17 or (resid 18 and (name N or name \ CA or name C or name O or name CB )) or resid 19 through 25 or (resid 26 and (n \ ame N or name CA or name C or name O or name CB )) or resid 27 through 39 or (re \ sid 40 through 41 and (name N or name CA or name C or name O or name CB )) or re \ sid 42 through 43 or (resid 44 through 45 and (name N or name CA or name C or na \ me O or name CB )) or resid 46 through 51 or (resid 52 and (name N or name CA or \ name C or name O or name CB )) or resid 53 through 85 or (resid 86 and (name N \ or name CA or name C or name O or name CB )) or resid 87 through 96 or (resid 97 \ and (name N or name CA or name C or name O or name CB )) or resid 98 through 99 \ or (resid 100 and (name N or name CA or name C or name O or name CB )) or resid \ 101 through 120 or (resid 121 and (name N or name CA or name C or name O or nam \ e CB )) or resid 122 through 198 or (resid 199 and (name N or name CA or name C \ or name O or name CB )) or resid 200 through 210 or (resid 211 and (name N or na \ me CA or name C or name O or name CB )) or resid 212 through 226 or (resid 227 t \ hrough 228 and (name N or name CA or name C or name O or name CB )) or resid 229 \ through 278 or (resid 279 through 281 and (name N or name CA or name C or name \ O or name CB )) or resid 282 through 301 or (resid 302 and (name N or name CA or \ name C or name O or name CB )) or resid 303 through 340 or (resid 341 and (name \ N or name CA or name C or name O or name CB )) or resid 342 or (resid 343 and ( \ name N or name CA or name C or name O or name CB )) or resid 344 through 374 or \ (resid 375 and (name N or name CA or name C or name O or name CB )) or resid 376 \ through 463 or (resid 464 through 465 and (name N or name CA or name C or name \ O or name CB )) or resid 466 through 473 or (resid 474 and (name N or name CA or \ name C or name O or name CB )) or resid 475 through 487)) } ncs_group { reference = (chain '5' and (resid 2 through 15 or (resid 16 and (name N or name CA or name C \ or name O or name CB )) or resid 17 through 21 or (resid 22 through 23 and (nam \ e N or name CA or name C or name O or name CB )) or resid 24 through 86 or (resi \ d 87 and (name N or name CA or name C or name O or name CB )) or resid 88 throug \ h 136 or (resid 137 and (name N or name CA or name C or name O or name CB )) or \ resid 138 through 182)) selection = (chain '7' and (resid 2 through 59 or (resid 60 and (name N or name CA or name C \ or name O or name CB )) or resid 61 through 66 or (resid 67 and (name N or name \ CA or name C or name O or name CB )) or resid 68 through 84 or (resid 85 and (n \ ame N or name CA or name C or name O or name CB )) or resid 86 through 101 or (r \ esid 102 and (name N or name CA or name C or name O or name CB )) or resid 103 t \ hrough 112 or (resid 113 and (name N or name CA or name C or name O or name CB ) \ ) or resid 114 through 152 or (resid 153 and (name N or name CA or name C or nam \ e O or name CB )) or resid 154 through 182)) selection = (chain 'C' and (resid 2 through 59 or (resid 60 and (name N or name CA or name C \ or name O or name CB )) or resid 61 through 66 or (resid 67 and (name N or name \ CA or name C or name O or name CB )) or resid 68 through 84 or (resid 85 and (n \ ame N or name CA or name C or name O or name CB )) or resid 86 through 101 or (r \ esid 102 and (name N or name CA or name C or name O or name CB )) or resid 103 t \ hrough 112 or (resid 113 and (name N or name CA or name C or name O or name CB ) \ ) or resid 114 through 152 or (resid 153 and (name N or name CA or name C or nam \ e O or name CB )) or resid 154 through 182)) selection = (chain 'D' and (resid 2 through 15 or (resid 16 and (name N or name CA or name C \ or name O or name CB )) or resid 17 through 21 or (resid 22 through 23 and (nam \ e N or name CA or name C or name O or name CB )) or resid 24 through 86 or (resi \ d 87 and (name N or name CA or name C or name O or name CB )) or resid 88 throug \ h 136 or (resid 137 and (name N or name CA or name C or name O or name CB )) or \ resid 138 through 182)) selection = (chain 'J' and (resid 2 through 59 or (resid 60 and (name N or name CA or name C \ or name O or name CB )) or resid 61 through 66 or (resid 67 and (name N or name \ CA or name C or name O or name CB )) or resid 68 through 84 or (resid 85 and (n \ ame N or name CA or name C or name O or name CB )) or resid 86 through 101 or (r \ esid 102 and (name N or name CA or name C or name O or name CB )) or resid 103 t \ hrough 112 or (resid 113 and (name N or name CA or name C or name O or name CB ) \ ) or resid 114 through 152 or (resid 153 and (name N or name CA or name C or nam \ e O or name CB )) or resid 154 through 182)) selection = (chain 'P' and (resid 2 through 15 or (resid 16 and (name N or name CA or name C \ or name O or name CB )) or resid 17 through 21 or (resid 22 through 23 and (nam \ e N or name CA or name C or name O or name CB )) or resid 24 through 86 or (resi \ d 87 and (name N or name CA or name C or name O or name CB )) or resid 88 throug \ h 136 or (resid 137 and (name N or name CA or name C or name O or name CB )) or \ resid 138 through 182)) selection = (chain 'R' and (resid 2 through 59 or (resid 60 and (name N or name CA or name C \ or name O or name CB )) or resid 61 through 66 or (resid 67 and (name N or name \ CA or name C or name O or name CB )) or resid 68 through 84 or (resid 85 and (n \ ame N or name CA or name C or name O or name CB )) or resid 86 through 101 or (r \ esid 102 and (name N or name CA or name C or name O or name CB )) or resid 103 t \ hrough 112 or (resid 113 and (name N or name CA or name C or name O or name CB ) \ ) or resid 114 through 152 or (resid 153 and (name N or name CA or name C or nam \ e O or name CB )) or resid 154 through 182)) selection = (chain 'X' and (resid 2 through 15 or (resid 16 and (name N or name CA or name C \ or name O or name CB )) or resid 17 through 21 or (resid 22 through 23 and (nam \ e N or name CA or name C or name O or name CB )) or resid 24 through 86 or (resi \ d 87 and (name N or name CA or name C or name O or name CB )) or resid 88 throug \ h 136 or (resid 137 and (name N or name CA or name C or name O or name CB )) or \ resid 138 through 182)) selection = (chain 'Z' and (resid 2 through 59 or (resid 60 and (name N or name CA or name C \ or name O or name CB )) or resid 61 through 66 or (resid 67 and (name N or name \ CA or name C or name O or name CB )) or resid 68 through 84 or (resid 85 and (n \ ame N or name CA or name C or name O or name CB )) or resid 86 through 101 or (r \ esid 102 and (name N or name CA or name C or name O or name CB )) or resid 103 t \ hrough 112 or (resid 113 and (name N or name CA or name C or name O or name CB ) \ ) or resid 114 through 152 or (resid 153 and (name N or name CA or name C or nam \ e O or name CB )) or resid 154 through 182)) selection = (chain 'd' and (resid 2 through 15 or (resid 16 and (name N or name CA or name C \ or name O or name CB )) or resid 17 through 21 or (resid 22 through 23 and (nam \ e N or name CA or name C or name O or name CB )) or resid 24 through 86 or (resi \ d 87 and (name N or name CA or name C or name O or name CB )) or resid 88 throug \ h 136 or (resid 137 and (name N or name CA or name C or name O or name CB )) or \ resid 138 through 182)) selection = (chain 'f' and (resid 2 through 59 or (resid 60 and (name N or name CA or name C \ or name O or name CB )) or resid 61 through 66 or (resid 67 and (name N or name \ CA or name C or name O or name CB )) or resid 68 through 84 or (resid 85 and (n \ ame N or name CA or name C or name O or name CB )) or resid 86 through 101 or (r \ esid 102 and (name N or name CA or name C or name O or name CB )) or resid 103 t \ hrough 112 or (resid 113 and (name N or name CA or name C or name O or name CB ) \ ) or resid 114 through 152 or (resid 153 and (name N or name CA or name C or nam \ e O or name CB )) or resid 154 through 182)) selection = (chain 'l' and (resid 2 through 15 or (resid 16 and (name N or name CA or name C \ or name O or name CB )) or resid 17 through 21 or (resid 22 through 23 and (nam \ e N or name CA or name C or name O or name CB )) or resid 24 through 86 or (resi \ d 87 and (name N or name CA or name C or name O or name CB )) or resid 88 throug \ h 136 or (resid 137 and (name N or name CA or name C or name O or name CB )) or \ resid 138 through 182)) } Set up NCS constraints No NCS constraints will be used in refinement. Set refine NCS operators Adjust number of macro_cycles Number of macro_cycles: 10 Reset NCS operators Extract rigid body selections Check and reset occupancies Occupancies: min=1.00 max=1.00 mean=1.00 Load rotamer database and sin/cos tables Set ADP refinement strategy ADPs will be refined as individual isotropic Make a string to write initial .geo file Internal consistency checks Time: Set random seed: 0.000 Set model cs if undefined: 0.000 Decide on map wrapping: 0.000 Normalize map: mean=0, sd=1: 2.140 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: 0.050 Extract box with map and model: 12.640 Check model and map are aligned: 1.080 Set scattering table: 0.700 Process input model: 245.750 Find NCS groups from input model: 6.410 Set up NCS constraints: 0.520 Set refine NCS operators: 0.000 Adjust number of macro_cycles: 0.000 Reset NCS operators: 0.000 Extract rigid body selections: 0.000 Check and reset occupancies: 0.010 Load rotamer database and sin/cos tables:2.320 Set ADP refinement strategy: 0.000 Make a string to write initial .geo file:0.000 Internal consistency checks: 0.000 Total: 271.630 ------------------------------------------------------------------------------- Set refinement monitor ********************** ------------------------------------------------------------------------------- Setup refinement engine *********************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.1696 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 : 0.002 0.041 112830 Z= 0.154 Angle : 0.486 7.554 153804 Z= 0.275 Chirality : 0.041 0.183 17928 Planarity : 0.004 0.099 19932 Dihedral : 13.992 84.594 39276 Min Nonbonded Distance : 0.946 Molprobity Statistics. All-atom Clashscore : 19.53 Ramachandran Plot: Outliers : 0.04 % Allowed : 3.71 % Favored : 96.25 % Rotamer: Outliers : 0.00 % Allowed : 0.64 % Favored : 99.36 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 0.75 (0.07), residues: 14598 helix: 2.47 (0.08), residues: 4248 sheet: 0.13 (0.10), residues: 3024 loop : -0.51 (0.07), residues: 7326 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.023 0.001 TRP P 70 HIS 0.004 0.001 HIS 6 386 PHE 0.012 0.001 PHE f 50 TYR 0.021 0.001 TYR k 143 ARG 0.006 0.000 ARG I 83 *********************** REFINEMENT MACRO_CYCLE 1 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 29196 Ramachandran restraints generated. 14598 Oldfield, 0 Emsley, 14598 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 29196 Ramachandran restraints generated. 14598 Oldfield, 0 Emsley, 14598 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 2186 residues out of total 12414 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 2186 time to evaluate : 8.557 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 154 TYR cc_start: 0.5229 (m-80) cc_final: 0.4841 (m-80) REVERT: A 456 ASP cc_start: 0.6706 (m-30) cc_final: 0.6435 (m-30) REVERT: C 43 VAL cc_start: 0.4900 (t) cc_final: 0.4236 (p) REVERT: C 168 TYR cc_start: 0.1555 (m-10) cc_final: 0.0658 (m-10) REVERT: E 230 ASN cc_start: 0.6349 (t0) cc_final: 0.5703 (p0) REVERT: E 315 ILE cc_start: 0.7006 (mp) cc_final: 0.6646 (pt) REVERT: E 409 VAL cc_start: 0.6158 (t) cc_final: 0.5597 (m) REVERT: E 466 LEU cc_start: 0.5400 (mp) cc_final: 0.5171 (mt) REVERT: E 516 THR cc_start: 0.5041 (t) cc_final: 0.4719 (t) REVERT: G 21 ILE cc_start: 0.8175 (mt) cc_final: 0.7871 (mm) REVERT: H 51 ILE cc_start: 0.6114 (mt) cc_final: 0.5182 (mt) REVERT: B 154 TYR cc_start: 0.5260 (m-80) cc_final: 0.4978 (m-80) REVERT: B 375 SER cc_start: 0.5822 (m) cc_final: 0.5051 (p) REVERT: D 46 THR cc_start: 0.3679 (t) cc_final: 0.2248 (m) REVERT: L 124 THR cc_start: 0.4756 (m) cc_final: 0.4199 (m) REVERT: P 22 ILE cc_start: 0.4085 (tp) cc_final: 0.3853 (tp) REVERT: S 496 MET cc_start: 0.2412 (mmm) cc_final: 0.2043 (mmm) REVERT: S 536 TYR cc_start: 0.1489 (m-80) cc_final: 0.0887 (m-10) REVERT: T 131 ASP cc_start: 0.2516 (t0) cc_final: 0.2171 (t0) REVERT: 0 283 PHE cc_start: -0.2003 (t80) cc_final: -0.2303 (t80) REVERT: 0 299 ILE cc_start: 0.0706 (mp) cc_final: 0.0426 (mp) REVERT: 0 668 MET cc_start: 0.1402 (mmm) cc_final: -0.0768 (mmm) REVERT: 4 177 ARG cc_start: 0.5226 (mtp-110) cc_final: 0.4625 (mtp-110) REVERT: 4 349 MET cc_start: -0.2030 (ptm) cc_final: -0.3384 (mtt) REVERT: 8 80 LEU cc_start: 0.0566 (tp) cc_final: 0.0337 (tt) REVERT: 8 303 THR cc_start: 0.0175 (p) cc_final: -0.0447 (m) REVERT: 8 508 PHE cc_start: 0.2945 (m-80) cc_final: 0.2569 (m-80) REVERT: 8 603 LEU cc_start: -0.0990 (tp) cc_final: -0.1990 (tp) REVERT: d 157 MET cc_start: -0.1772 (mmm) cc_final: -0.2026 (mmm) REVERT: g 20 ILE cc_start: 0.2648 (pt) cc_final: 0.0978 (mp) REVERT: g 190 VAL cc_start: 0.5034 (t) cc_final: 0.4813 (t) REVERT: j 17 ILE cc_start: 0.6218 (mt) cc_final: 0.5954 (mp) REVERT: l 24 THR cc_start: 0.3564 (t) cc_final: 0.3346 (t) REVERT: l 124 TRP cc_start: 0.2389 (t60) cc_final: 0.1671 (t60) outliers start: 0 outliers final: 0 residues processed: 2186 average time/residue: 0.9931 time to fit residues: 3747.7914 Evaluate side-chains 1324 residues out of total 12414 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 1324 time to evaluate : 8.656 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=5.00 ------------------------------------------------------------------------------- XYZ refinement ************** Traceback (most recent call last): File "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5265/build/../modules/phenix/phenix/command_line/real_space_refine.py", line 8, in run_program(real_space_refine.Program) File "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5265/modules/cctbx_project/iotbx/cli_parser.py", line 944, in run_program task.run() File "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5265/modules/phenix/phenix/programs/real_space_refine.py", line 189, in run log = self.logger) File "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5265/modules/phenix/phenix/refinement/rsr/wrappers.py", line 58, in __init__ log = log) File "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5265/modules/phenix/phenix/refinement/macro_cycle_real_space.py", line 306, in __init__ self.caller(self.refine_xyz) File "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5265/modules/phenix/phenix/refinement/macro_cycle_real_space.py", line 321, in caller func() File "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5265/modules/phenix/phenix/refinement/macro_cycle_real_space.py", line 700, in refine_xyz self.minimization_no_ncs() File "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5265/modules/phenix/phenix/refinement/macro_cycle_real_space.py", line 764, in minimization_no_ncs log = self.log) File "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5265/modules/cctbx_project/mmtbx/refinement/real_space/individual_sites.py", line 51, in __init__ gradients_method = gradients_method) File "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5265/modules/cctbx_project/mmtbx/refinement/real_space/weight.py", line 87, in __init__ rms_angles_limit = rms_angles_limit) File "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5265/modules/cctbx_project/mmtbx/refinement/real_space/individual_sites.py", line 368, in refine rms_angles_limit = rms_angles_limit) File "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5265/modules/cctbx_project/mmtbx/refinement/real_space/individual_sites.py", line 235, in __init__ weight = weight) File "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5265/modules/cctbx_project/mmtbx/refinement/real_space/individual_sites.py", line 112, in refine states_collector = self.states_accumulator) File "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5265/modules/cctbx_project/cctbx/maptbx/real_space_refinement_simple.py", line 174, in __init__ exception_handling_params=lbfgs_exception_handling_params) File "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5265/modules/cctbx_project/scitbx/lbfgs/__init__.py", line 278, in run line_search) File "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5265/modules/cctbx_project/scitbx/lbfgs/__init__.py", line 131, in run_c_plus_plus f, g = target_evaluator.compute_functional_and_gradients() File "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5265/modules/cctbx_project/cctbx/maptbx/real_space_refinement_simple.py", line 245, in compute_functional_and_gradients compute_gradients=True) File "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5265/modules/cctbx_project/cctbx/geometry_restraints/manager.py", line 1479, in energies_sites flags=flags, sites_cart=sites_cart, site_labels=site_labels) File "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5265/modules/cctbx_project/cctbx/geometry_restraints/manager.py", line 1381, in pair_proxies check_bonded_distance_cutoff(sites_frac=sites_frac) File "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5265/modules/cctbx_project/cctbx/geometry_restraints/manager.py", line 1262, in check_bonded_distance_cutoff raise RuntimeError(msg) RuntimeError: Bond distance > max_reasonable_bond_distance: 56.4186 > 50: distance: 11 - 148: 7.167 distance: 91 - 92: 5.418 distance: 92 - 93: 9.564 distance: 92 - 95: 4.968 distance: 93 - 94: 3.948 distance: 93 - 99: 6.354 distance: 95 - 96: 10.639 distance: 96 - 97: 5.685 distance: 96 - 98: 4.456 distance: 99 - 100: 4.126 distance: 100 - 101: 6.184 distance: 100 - 103: 8.440 distance: 101 - 102: 5.655 distance: 101 - 107: 7.083 distance: 103 - 104: 11.180 distance: 104 - 105: 6.733 distance: 104 - 106: 10.408 distance: 107 - 108: 10.531 distance: 108 - 109: 10.694 distance: 108 - 111: 9.554 distance: 109 - 110: 15.774 distance: 109 - 114: 6.465 distance: 111 - 113: 11.358 distance: 114 - 115: 3.087 distance: 114 - 120: 6.286 distance: 115 - 116: 6.883 distance: 115 - 118: 7.639 distance: 116 - 117: 4.993 distance: 116 - 121: 4.727 distance: 118 - 119: 4.836 distance: 119 - 120: 7.818 distance: 121 - 122: 5.920 distance: 122 - 123: 8.869 distance: 122 - 125: 7.564 distance: 123 - 124: 19.772 distance: 123 - 129: 13.973 distance: 125 - 126: 4.063 distance: 126 - 127: 13.509 distance: 127 - 128: 4.620 distance: 129 - 130: 21.864 distance: 130 - 131: 17.100 distance: 130 - 133: 25.079 distance: 131 - 132: 17.549 distance: 131 - 134: 7.562 distance: 134 - 135: 6.647 distance: 135 - 136: 6.228 distance: 135 - 138: 9.883 distance: 136 - 137: 8.273 distance: 136 - 140: 5.061 distance: 138 - 139: 17.470 distance: 140 - 141: 10.672 distance: 141 - 142: 9.373 distance: 141 - 144: 9.217 distance: 142 - 143: 11.050 distance: 142 - 145: 7.646 distance: 145 - 146: 7.686 distance: 146 - 147: 5.420 distance: 147 - 148: 6.818 distance: 147 - 149: 3.522 distance: 149 - 150: 5.051 distance: 150 - 153: 4.189 distance: 151 - 156: 6.973 distance: 153 - 154: 4.991 distance: 153 - 155: 3.714