Starting phenix.real_space_refine on Thu Mar 14 11:07:13 2024 by dcliebschner =============================================================================== Processing files: ------------------------------------------------------------------------------- Found model, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7jmj_22396/03_2024/7jmj_22396_neut.pdb Found real_map, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7jmj_22396/03_2024/7jmj_22396.map Processing PHIL parameters: ------------------------------------------------------------------------------- Adding command-line PHIL: ------------------------- refinement.macro_cycles=10 scattering_table=electron resolution=4.5 write_initial_geo_file=False Final processed PHIL parameters: ------------------------------------------------------------------------------- data_manager { real_map_files = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7jmj_22396/03_2024/7jmj_22396.map" default_real_map = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7jmj_22396/03_2024/7jmj_22396.map" model { file = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7jmj_22396/03_2024/7jmj_22396_neut.pdb" } default_model = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7jmj_22396/03_2024/7jmj_22396_neut.pdb" } resolution = 4.5 write_initial_geo_file = False refinement { macro_cycles = 10 } qi { qm_restraints { package { program = *test } } } Starting job =============================================================================== ------------------------------------------------------------------------------- Citation: ********* Afonine PV, Poon BK, Read RJ, Sobolev OV, Terwilliger TC, Urzhumtsev A, Adams PD. (2018) Real-space refinement in PHENIX for cryo-EM and crystallography. Acta Cryst. D74:531-544. Validating inputs Origin is already at (0, 0, 0), no shifts will be applied ------------------------------------------------------------------------------- Processing inputs ***************** Set random seed Set to: 0 Set model cs if undefined Decide on map wrapping Map wrapping is set to: False Normalize map: mean=0, sd=1 Input map: mean= 0.001 sd= 0.025 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: 6 Type Number sf(0) Gaussians Ca 4 9.91 5 Zn 4 6.06 5 S 644 5.16 5 C 76496 2.51 5 N 21384 2.21 5 O 22224 1.98 5 sf(0) = scattering factor at diffraction angle 0. Process input model Symmetric amino acids flipped Residue "B ARG 76": "NH1" <-> "NH2" Residue "B ARG 178": "NH1" <-> "NH2" Residue "B ARG 266": "NH1" <-> "NH2" Residue "B TYR 359": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B ARG 426": "NH1" <-> "NH2" Residue "B ARG 553": "NH1" <-> "NH2" Residue "B PHE 1090": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B ARG 1271": "NH1" <-> "NH2" Residue "B ARG 1594": "NH1" <-> "NH2" Residue "B ARG 1607": "NH1" <-> "NH2" Residue "B ARG 1656": "NH1" <-> "NH2" Residue "B ARG 1725": "NH1" <-> "NH2" Residue "B ARG 1743": "NH1" <-> "NH2" Residue "B ARG 1797": "NH1" <-> "NH2" Residue "B ARG 1827": "NH1" <-> "NH2" Residue "B ARG 1996": "NH1" <-> "NH2" Residue "B ARG 2140": "NH1" <-> "NH2" Residue "B ARG 2355": "NH1" <-> "NH2" Residue "B ARG 2452": "NH1" <-> "NH2" Residue "B ARG 3648": "NH1" <-> "NH2" Residue "B ARG 3886": "NH1" <-> "NH2" Residue "B ARG 3904": "NH1" <-> "NH2" Residue "B ARG 3949": "NH1" <-> "NH2" Residue "B ARG 3984": "NH1" <-> "NH2" Residue "B ARG 4042": "NH1" <-> "NH2" Residue "B ARG 4137": "NH1" <-> "NH2" Residue "B ARG 4159": "NH1" <-> "NH2" Residue "B ARG 4175": "NH1" <-> "NH2" Residue "B ARG 4192": "NH1" <-> "NH2" Residue "B ARG 4548": "NH1" <-> "NH2" Residue "B ARG 4557": "NH1" <-> "NH2" Residue "B ARG 4563": "NH1" <-> "NH2" Residue "B ARG 4673": "NH1" <-> "NH2" Residue "B ARG 4703": "NH1" <-> "NH2" Residue "B ARG 4722": "NH1" <-> "NH2" Residue "B ARG 4734": "NH1" <-> "NH2" Residue "B ARG 4736": "NH1" <-> "NH2" Residue "B ARG 4824": "NH1" <-> "NH2" Residue "B ARG 4860": "NH1" <-> "NH2" Residue "B ARG 4892": "NH1" <-> "NH2" Residue "B ARG 4913": "NH1" <-> "NH2" Residue "B ARG 5017": "NH1" <-> "NH2" Residue "B ARG 5029": "NH1" <-> "NH2" Residue "E ARG 76": "NH1" <-> "NH2" Residue "E ARG 178": "NH1" <-> "NH2" Residue "E ARG 266": "NH1" <-> "NH2" Residue "E TYR 359": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E ARG 426": "NH1" <-> "NH2" Residue "E ARG 553": "NH1" <-> "NH2" Residue "E PHE 1090": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E ARG 1271": "NH1" <-> "NH2" Residue "E ARG 1594": "NH1" <-> "NH2" Residue "E ARG 1607": "NH1" <-> "NH2" Residue "E ARG 1656": "NH1" <-> "NH2" Residue "E ARG 1725": "NH1" <-> "NH2" Residue "E ARG 1743": "NH1" <-> "NH2" Residue "E ARG 1797": "NH1" <-> "NH2" Residue "E ARG 1827": "NH1" <-> "NH2" Residue "E ARG 1996": "NH1" <-> "NH2" Residue "E ARG 2140": "NH1" <-> "NH2" Residue "E ARG 2355": "NH1" <-> "NH2" Residue "E ARG 2452": "NH1" <-> "NH2" Residue "E ARG 3648": "NH1" <-> "NH2" Residue "E ARG 3886": "NH1" <-> "NH2" Residue "E ARG 3904": "NH1" <-> "NH2" Residue "E ARG 3949": "NH1" <-> "NH2" Residue "E ARG 3984": "NH1" <-> "NH2" Residue "E ARG 4042": "NH1" <-> "NH2" Residue "E ARG 4137": "NH1" <-> "NH2" Residue "E ARG 4159": "NH1" <-> "NH2" Residue "E ARG 4175": "NH1" <-> "NH2" Residue "E ARG 4192": "NH1" <-> "NH2" Residue "E ARG 4548": "NH1" <-> "NH2" Residue "E ARG 4557": "NH1" <-> "NH2" Residue "E ARG 4563": "NH1" <-> "NH2" Residue "E ARG 4673": "NH1" <-> "NH2" Residue "E ARG 4703": "NH1" <-> "NH2" Residue "E ARG 4722": "NH1" <-> "NH2" Residue "E ARG 4734": "NH1" <-> "NH2" Residue "E ARG 4736": "NH1" <-> "NH2" Residue "E ARG 4824": "NH1" <-> "NH2" Residue "E ARG 4860": "NH1" <-> "NH2" Residue "E ARG 4892": "NH1" <-> "NH2" Residue "E ARG 4913": "NH1" <-> "NH2" Residue "E ARG 5017": "NH1" <-> "NH2" Residue "E ARG 5029": "NH1" <-> "NH2" Residue "G ARG 76": "NH1" <-> "NH2" Residue "G ARG 178": "NH1" <-> "NH2" Residue "G ARG 266": "NH1" <-> "NH2" Residue "G TYR 359": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G ARG 426": "NH1" <-> "NH2" Residue "G ARG 553": "NH1" <-> "NH2" Residue "G PHE 1090": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G ARG 1271": "NH1" <-> "NH2" Residue "G ARG 1594": "NH1" <-> "NH2" Residue "G ARG 1607": "NH1" <-> "NH2" Residue "G ARG 1656": "NH1" <-> "NH2" Residue "G ARG 1725": "NH1" <-> "NH2" Residue "G ARG 1743": "NH1" <-> "NH2" Residue "G ARG 1797": "NH1" <-> "NH2" Residue "G ARG 1827": "NH1" <-> "NH2" Residue "G ARG 1996": "NH1" <-> "NH2" Residue "G ARG 2140": "NH1" <-> "NH2" Residue "G ARG 2355": "NH1" <-> "NH2" Residue "G ARG 2452": "NH1" <-> "NH2" Residue "G ARG 3648": "NH1" <-> "NH2" Residue "G ARG 3886": "NH1" <-> "NH2" Residue "G ARG 3904": "NH1" <-> "NH2" Residue "G ARG 3949": "NH1" <-> "NH2" Residue "G ARG 3984": "NH1" <-> "NH2" Residue "G ARG 4042": "NH1" <-> "NH2" Residue "G ARG 4137": "NH1" <-> "NH2" Residue "G ARG 4159": "NH1" <-> "NH2" Residue "G ARG 4175": "NH1" <-> "NH2" Residue "G ARG 4192": "NH1" <-> "NH2" Residue "G ARG 4548": "NH1" <-> "NH2" Residue "G ARG 4557": "NH1" <-> "NH2" Residue "G ARG 4563": "NH1" <-> "NH2" Residue "G ARG 4673": "NH1" <-> "NH2" Residue "G ARG 4703": "NH1" <-> "NH2" Residue "G ARG 4722": "NH1" <-> "NH2" Residue "G ARG 4734": "NH1" <-> "NH2" Residue "G ARG 4736": "NH1" <-> "NH2" Residue "G ARG 4824": "NH1" <-> "NH2" Residue "G ARG 4860": "NH1" <-> "NH2" Residue "G ARG 4892": "NH1" <-> "NH2" Residue "G ARG 4913": "NH1" <-> "NH2" Residue "G ARG 5017": "NH1" <-> "NH2" Residue "G ARG 5029": "NH1" <-> "NH2" Residue "I ARG 76": "NH1" <-> "NH2" Residue "I ARG 178": "NH1" <-> "NH2" Residue "I ARG 266": "NH1" <-> "NH2" Residue "I TYR 359": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I ARG 426": "NH1" <-> "NH2" Residue "I ARG 553": "NH1" <-> "NH2" Residue "I PHE 1090": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I ARG 1271": "NH1" <-> "NH2" Residue "I ARG 1594": "NH1" <-> "NH2" Residue "I ARG 1607": "NH1" <-> "NH2" Residue "I ARG 1656": "NH1" <-> "NH2" Residue "I ARG 1725": "NH1" <-> "NH2" Residue "I ARG 1743": "NH1" <-> "NH2" Residue "I ARG 1797": "NH1" <-> "NH2" Residue "I ARG 1827": "NH1" <-> "NH2" Residue "I ARG 1996": "NH1" <-> "NH2" Residue "I ARG 2140": "NH1" <-> "NH2" Residue "I ARG 2355": "NH1" <-> "NH2" Residue "I ARG 2452": "NH1" <-> "NH2" Residue "I ARG 3648": "NH1" <-> "NH2" Residue "I ARG 3886": "NH1" <-> "NH2" Residue "I ARG 3904": "NH1" <-> "NH2" Residue "I ARG 3949": "NH1" <-> "NH2" Residue "I ARG 3984": "NH1" <-> "NH2" Residue "I ARG 4042": "NH1" <-> "NH2" Residue "I ARG 4137": "NH1" <-> "NH2" Residue "I ARG 4159": "NH1" <-> "NH2" Residue "I ARG 4175": "NH1" <-> "NH2" Residue "I ARG 4192": "NH1" <-> "NH2" Residue "I ARG 4548": "NH1" <-> "NH2" Residue "I ARG 4557": "NH1" <-> "NH2" Residue "I ARG 4563": "NH1" <-> "NH2" Residue "I ARG 4673": "NH1" <-> "NH2" Residue "I ARG 4703": "NH1" <-> "NH2" Residue "I ARG 4722": "NH1" <-> "NH2" Residue "I ARG 4734": "NH1" <-> "NH2" Residue "I ARG 4736": "NH1" <-> "NH2" Residue "I ARG 4824": "NH1" <-> "NH2" Residue "I ARG 4860": "NH1" <-> "NH2" Residue "I ARG 4892": "NH1" <-> "NH2" Residue "I ARG 4913": "NH1" <-> "NH2" Residue "I ARG 5017": "NH1" <-> "NH2" Residue "I ARG 5029": "NH1" <-> "NH2" Time to flip residues: 0.25s Monomer Library directory: "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5265/modules/chem_data/mon_lib" Total number of atoms: 120756 Number of models: 1 Model: "" Number of chains: 12 Chain: "A" Number of atoms: 818 Number of conformers: 1 Conformer: "" Number of residues, atoms: 107, 818 Classifications: {'peptide': 107} Link IDs: {'PTRANS': 7, 'TRANS': 99} Chain: "B" Number of atoms: 29369 Number of conformers: 1 Conformer: "" Number of residues, atoms: 4168, 29369 Classifications: {'peptide': 4168} Incomplete info: {'truncation_to_alanine': 1246} Link IDs: {'PCIS': 1, 'PTRANS': 156, 'TRANS': 4010} Chain breaks: 25 Unresolved chain link angles: 5 Unresolved non-hydrogen bonds: 3027 Unresolved non-hydrogen angles: 4229 Unresolved non-hydrogen dihedrals: 1879 Unresolved non-hydrogen chiralities: 57 Planarities with less than four sites: {'GLN:plan1': 18, 'UNK:plan-1': 900, 'ASP:plan': 46, 'TYR:plan': 2, 'ASN:plan1': 16, 'TRP:plan': 3, 'HIS:plan': 7, 'PHE:plan': 4, 'GLU:plan': 83, 'ARG:plan': 34} Unresolved non-hydrogen planarities: 1760 Chain: "E" Number of atoms: 29369 Number of conformers: 1 Conformer: "" Number of residues, atoms: 4168, 29369 Classifications: {'peptide': 4168} Incomplete info: {'truncation_to_alanine': 1246} Link IDs: {'PCIS': 1, 'PTRANS': 156, 'TRANS': 4010} Chain breaks: 25 Unresolved chain link angles: 5 Unresolved non-hydrogen bonds: 3027 Unresolved non-hydrogen angles: 4229 Unresolved non-hydrogen dihedrals: 1879 Unresolved non-hydrogen chiralities: 57 Planarities with less than four sites: {'GLN:plan1': 18, 'UNK:plan-1': 900, 'ASP:plan': 46, 'TYR:plan': 2, 'ASN:plan1': 16, 'TRP:plan': 3, 'HIS:plan': 7, 'PHE:plan': 4, 'GLU:plan': 83, 'ARG:plan': 34} Unresolved non-hydrogen planarities: 1760 Chain: "F" Number of atoms: 818 Number of conformers: 1 Conformer: "" Number of residues, atoms: 107, 818 Classifications: {'peptide': 107} Link IDs: {'PTRANS': 7, 'TRANS': 99} Chain: "G" Number of atoms: 29369 Number of conformers: 1 Conformer: "" Number of residues, atoms: 4168, 29369 Classifications: {'peptide': 4168} Incomplete info: {'truncation_to_alanine': 1246} Link IDs: {'PCIS': 1, 'PTRANS': 156, 'TRANS': 4010} Chain breaks: 25 Unresolved chain link angles: 5 Unresolved non-hydrogen bonds: 3027 Unresolved non-hydrogen angles: 4229 Unresolved non-hydrogen dihedrals: 1879 Unresolved non-hydrogen chiralities: 57 Planarities with less than four sites: {'GLN:plan1': 18, 'UNK:plan-1': 900, 'ASP:plan': 46, 'TYR:plan': 2, 'ASN:plan1': 16, 'TRP:plan': 3, 'HIS:plan': 7, 'PHE:plan': 4, 'GLU:plan': 83, 'ARG:plan': 34} Unresolved non-hydrogen planarities: 1760 Chain: "H" Number of atoms: 818 Number of conformers: 1 Conformer: "" Number of residues, atoms: 107, 818 Classifications: {'peptide': 107} Link IDs: {'PTRANS': 7, 'TRANS': 99} Chain: "I" Number of atoms: 29369 Number of conformers: 1 Conformer: "" Number of residues, atoms: 4168, 29369 Classifications: {'peptide': 4168} Incomplete info: {'truncation_to_alanine': 1246} Link IDs: {'PCIS': 1, 'PTRANS': 156, 'TRANS': 4010} Chain breaks: 25 Unresolved chain link angles: 5 Unresolved non-hydrogen bonds: 3027 Unresolved non-hydrogen angles: 4229 Unresolved non-hydrogen dihedrals: 1879 Unresolved non-hydrogen chiralities: 57 Planarities with less than four sites: {'GLN:plan1': 18, 'UNK:plan-1': 900, 'ASP:plan': 46, 'TYR:plan': 2, 'ASN:plan1': 16, 'TRP:plan': 3, 'HIS:plan': 7, 'PHE:plan': 4, 'GLU:plan': 83, 'ARG:plan': 34} Unresolved non-hydrogen planarities: 1760 Chain: "J" Number of atoms: 818 Number of conformers: 1 Conformer: "" Number of residues, atoms: 107, 818 Classifications: {'peptide': 107} Link IDs: {'PTRANS': 7, 'TRANS': 99} Chain: "B" Number of atoms: 2 Number of conformers: 1 Conformer: "" Number of residues, atoms: 2, 2 Unusual residues: {' CA': 1, ' ZN': 1} Classifications: {'undetermined': 2} Link IDs: {None: 1} Chain: "E" Number of atoms: 2 Number of conformers: 1 Conformer: "" Number of residues, atoms: 2, 2 Unusual residues: {' CA': 1, ' ZN': 1} Classifications: {'undetermined': 2} Link IDs: {None: 1} Chain: "G" Number of atoms: 2 Number of conformers: 1 Conformer: "" Number of residues, atoms: 2, 2 Unusual residues: {' CA': 1, ' ZN': 1} Classifications: {'undetermined': 2} Link IDs: {None: 1} Chain: "I" Number of atoms: 2 Number of conformers: 1 Conformer: "" Number of residues, atoms: 2, 2 Unusual residues: {' CA': 1, ' ZN': 1} Classifications: {'undetermined': 2} Link IDs: {None: 1} List of CYS excluded from plausible disulfide bonds: (reason: may participate in coordination) ATOM 29516 SG CYS B4958 176.573 206.275 87.578 1.00 1.37 S ATOM 29541 SG CYS B4961 179.232 204.421 90.819 1.00 1.91 S ATOM 58885 SG CYS E4958 204.557 209.386 87.226 1.00 1.89 S ATOM 58910 SG CYS E4961 202.765 206.739 90.511 1.00 1.93 S ATOM 89072 SG CYS G4958 207.976 181.627 87.066 1.00 2.59 S ATOM 89097 SG CYS G4961 205.395 183.454 90.381 1.00 2.63 S ATOM A0EUZ SG CYS I4958 179.762 178.442 87.460 1.00 1.64 S ATOM A0EVO SG CYS I4961 181.631 181.045 90.736 1.00 2.33 S Time building chain proxies: 46.04, per 1000 atoms: 0.38 Number of scatterers: 120756 At special positions: 0 Unit cell: (387.795, 387.795, 209.585, 90, 90, 90) Space group: P 1 (No. 1) Number of sites at special positions: 0 Number of scattering types: 6 Type Number sf(0) Zn 4 29.99 Ca 4 19.99 S 644 16.00 O 22224 8.00 N 21384 7.00 C 76496 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: 35.04 Conformation dependent library (CDL) restraints added in 13.8 seconds Dynamic metal coordination Zn2+ tetrahedral coordination pdb=" ZN B5101 " pdb="ZN ZN B5101 " - pdb=" ND1 HIS B4983 " pdb="ZN ZN B5101 " - pdb=" NE2 HIS B4978 " pdb="ZN ZN B5101 " - pdb=" SG CYS B4958 " pdb="ZN ZN B5101 " - pdb=" SG CYS B4961 " pdb=" ZN E5101 " pdb="ZN ZN E5101 " - pdb=" ND1 HIS E4983 " pdb="ZN ZN E5101 " - pdb=" NE2 HIS E4978 " pdb="ZN ZN E5101 " - pdb=" SG CYS E4958 " pdb="ZN ZN E5101 " - pdb=" SG CYS E4961 " pdb=" ZN G5101 " pdb="ZN ZN G5101 " - pdb=" ND1 HIS G4983 " pdb="ZN ZN G5101 " - pdb=" SG CYS G4958 " pdb="ZN ZN G5101 " - pdb=" NE2 HIS G4978 " pdb="ZN ZN G5101 " - pdb=" SG CYS G4961 " pdb=" ZN I5101 " pdb="ZN ZN I5101 " - pdb=" ND1 HIS I4983 " pdb="ZN ZN I5101 " - pdb=" SG CYS I4958 " pdb="ZN ZN I5101 " - pdb=" NE2 HIS I4978 " pdb="ZN ZN I5101 " - pdb=" SG CYS I4961 " Number of angles added : 8 26712 Ramachandran restraints generated. 13356 Oldfield, 0 Emsley, 13356 emsley8k and 0 Phi/Psi/2. Adding C-beta torsion restraints... Number of C-beta restraints generated: 32360 Finding SS restraints... Secondary structure from input PDB file: 705 helices and 90 sheets defined 61.3% alpha, 7.2% beta 0 base pairs and 0 stacking pairs defined. Time for finding SS restraints: 16.51 Creating SS restraints... Processing helix chain 'A' and resid 38 through 43 Processing helix chain 'A' and resid 56 through 65 removed outlier: 3.961A pdb=" N GLY A 62 " --> pdb=" O GLY A 58 " (cutoff:3.500A) removed outlier: 3.560A pdb=" N ALA A 63 " --> pdb=" O PHE A 59 " (cutoff:3.500A) removed outlier: 3.639A pdb=" N ALA A 64 " --> pdb=" O GLU A 60 " (cutoff:3.500A) removed outlier: 3.622A pdb=" N GLN A 65 " --> pdb=" O GLU A 61 " (cutoff:3.500A) Processing helix chain 'A' and resid 77 through 81 removed outlier: 3.771A pdb=" N VAL A 80 " --> pdb=" O THR A 77 " (cutoff:3.500A) Processing helix chain 'B' and resid 74 through 83 Processing helix chain 'B' and resid 251 through 255 Processing helix chain 'B' and resid 395 through 412 removed outlier: 3.929A pdb=" N ARG B 402 " --> pdb=" O SER B 398 " (cutoff:3.500A) removed outlier: 3.557A pdb=" N MET B 403 " --> pdb=" O GLN B 399 " (cutoff:3.500A) Processing helix chain 'B' and resid 414 through 419 Processing helix chain 'B' and resid 438 through 450 removed outlier: 3.653A pdb=" N GLY B 450 " --> pdb=" O GLN B 446 " (cutoff:3.500A) Processing helix chain 'B' and resid 460 through 478 removed outlier: 3.565A pdb=" N GLN B 465 " --> pdb=" O HIS B 461 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N SER B 466 " --> pdb=" O GLU B 462 " (cutoff:3.500A) removed outlier: 3.949A pdb=" N PHE B 478 " --> pdb=" O ARG B 474 " (cutoff:3.500A) Processing helix chain 'B' and resid 484 through 494 Processing helix chain 'B' and resid 512 through 531 removed outlier: 4.216A pdb=" N LYS B 516 " --> pdb=" O ALA B 512 " (cutoff:3.500A) removed outlier: 4.467A pdb=" N GLU B 517 " --> pdb=" O GLU B 513 " (cutoff:3.500A) removed outlier: 3.776A pdb=" N TYR B 523 " --> pdb=" O VAL B 519 " (cutoff:3.500A) removed outlier: 3.629A pdb=" N GLU B 524 " --> pdb=" O ASN B 520 " (cutoff:3.500A) removed outlier: 3.938A pdb=" N SER B 528 " --> pdb=" O GLU B 524 " (cutoff:3.500A) removed outlier: 4.054A pdb=" N LEU B 529 " --> pdb=" O LEU B 525 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N ILE B 530 " --> pdb=" O LEU B 526 " (cutoff:3.500A) Processing helix chain 'B' and resid 538 through 542 removed outlier: 3.632A pdb=" N SER B 541 " --> pdb=" O ALA B 538 " (cutoff:3.500A) removed outlier: 4.104A pdb=" N THR B 542 " --> pdb=" O LEU B 539 " (cutoff:3.500A) No H-bonds generated for 'chain 'B' and resid 538 through 542' Processing helix chain 'B' and resid 543 through 548 removed outlier: 3.745A pdb=" N VAL B 548 " --> pdb=" O LEU B 544 " (cutoff:3.500A) Processing helix chain 'B' and resid 559 through 571 removed outlier: 3.866A pdb=" N TYR B 565 " --> pdb=" O LEU B 561 " (cutoff:3.500A) removed outlier: 4.271A pdb=" N GLU B 570 " --> pdb=" O CYS B 566 " (cutoff:3.500A) removed outlier: 3.773A pdb=" N SER B 571 " --> pdb=" O VAL B 567 " (cutoff:3.500A) Processing helix chain 'B' and resid 571 through 577 removed outlier: 3.847A pdb=" N LEU B 575 " --> pdb=" O SER B 571 " (cutoff:3.500A) Processing helix chain 'B' and resid 580 through 593 Processing helix chain 'B' and resid 596 through 608 removed outlier: 3.989A pdb=" N LEU B 600 " --> pdb=" O ASN B 596 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N LEU B 603 " --> pdb=" O VAL B 599 " (cutoff:3.500A) removed outlier: 3.567A pdb=" N CYS B 607 " --> pdb=" O LEU B 603 " (cutoff:3.500A) removed outlier: 4.275A pdb=" N VAL B 608 " --> pdb=" O CYS B 604 " (cutoff:3.500A) Processing helix chain 'B' and resid 614 through 625 removed outlier: 3.941A pdb=" N GLN B 618 " --> pdb=" O VAL B 614 " (cutoff:3.500A) removed outlier: 3.579A pdb=" N ASP B 619 " --> pdb=" O ARG B 615 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N ILE B 621 " --> pdb=" O ASN B 617 " (cutoff:3.500A) removed outlier: 3.626A pdb=" N THR B 622 " --> pdb=" O GLN B 618 " (cutoff:3.500A) Processing helix chain 'B' and resid 864 through 889 removed outlier: 3.550A pdb=" N ILE B 870 " --> pdb=" O HIS B 866 " (cutoff:3.500A) removed outlier: 3.854A pdb=" N GLU B 872 " --> pdb=" O GLU B 868 " (cutoff:3.500A) removed outlier: 4.023A pdb=" N LYS B 873 " --> pdb=" O ARG B 869 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N HIS B 879 " --> pdb=" O ALA B 875 " (cutoff:3.500A) removed outlier: 3.707A pdb=" N ARG B 886 " --> pdb=" O TRP B 882 " (cutoff:3.500A) removed outlier: 3.616A pdb=" N ILE B 887 " --> pdb=" O ALA B 883 " (cutoff:3.500A) removed outlier: 3.538A pdb=" N GLN B 889 " --> pdb=" O THR B 885 " (cutoff:3.500A) Processing helix chain 'B' and resid 914 through 932 removed outlier: 3.612A pdb=" N ASN B 919 " --> pdb=" O GLU B 915 " (cutoff:3.500A) removed outlier: 3.559A pdb=" N GLN B 923 " --> pdb=" O ASN B 919 " (cutoff:3.500A) removed outlier: 3.611A pdb=" N LEU B 932 " --> pdb=" O THR B 928 " (cutoff:3.500A) Processing helix chain 'B' and resid 933 through 936 removed outlier: 3.947A pdb=" N GLY B 936 " --> pdb=" O LEU B 933 " (cutoff:3.500A) No H-bonds generated for 'chain 'B' and resid 933 through 936' Processing helix chain 'B' and resid 980 through 1001 removed outlier: 3.708A pdb=" N LEU B 984 " --> pdb=" O ALA B 980 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N ASP B 986 " --> pdb=" O THR B 982 " (cutoff:3.500A) removed outlier: 3.663A pdb=" N ALA B 989 " --> pdb=" O VAL B 985 " (cutoff:3.500A) removed outlier: 3.811A pdb=" N ASN B 994 " --> pdb=" O GLU B 990 " (cutoff:3.500A) Processing helix chain 'B' and resid 1028 through 1049 removed outlier: 4.453A pdb=" N GLN B1041 " --> pdb=" O ASP B1037 " (cutoff:3.500A) removed outlier: 4.864A pdb=" N ALA B1042 " --> pdb=" O SER B1038 " (cutoff:3.500A) removed outlier: 3.896A pdb=" N VAL B1043 " --> pdb=" O LEU B1039 " (cutoff:3.500A) removed outlier: 4.278A pdb=" N ARG B1044 " --> pdb=" O CYS B1040 " (cutoff:3.500A) removed outlier: 4.175A pdb=" N THR B1045 " --> pdb=" O GLN B1041 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N LEU B1046 " --> pdb=" O ALA B1042 " (cutoff:3.500A) Processing helix chain 'B' and resid 1078 through 1082 Processing helix chain 'B' and resid 1576 through 1581 removed outlier: 3.611A pdb=" N PHE B1580 " --> pdb=" O SER B1576 " (cutoff:3.500A) removed outlier: 4.217A pdb=" N LEU B1581 " --> pdb=" O ALA B1577 " (cutoff:3.500A) No H-bonds generated for 'chain 'B' and resid 1576 through 1581' Processing helix chain 'B' and resid 1623 through 1627 Processing helix chain 'B' and resid 1652 through 1657 removed outlier: 3.511A pdb=" N ARG B1656 " --> pdb=" O GLU B1652 " (cutoff:3.500A) Processing helix chain 'B' and resid 1658 through 1674 removed outlier: 3.781A pdb=" N TYR B1670 " --> pdb=" O THR B1666 " (cutoff:3.500A) removed outlier: 4.557A pdb=" N ARG B1671 " --> pdb=" O LEU B1667 " (cutoff:3.500A) Processing helix chain 'B' and resid 1678 through 1686 removed outlier: 3.635A pdb=" N ALA B1684 " --> pdb=" O ARG B1680 " (cutoff:3.500A) removed outlier: 4.155A pdb=" N CYS B1686 " --> pdb=" O ALA B1682 " (cutoff:3.500A) Processing helix chain 'B' and resid 1692 through 1700 removed outlier: 3.883A pdb=" N LEU B1698 " --> pdb=" O LEU B1694 " (cutoff:3.500A) removed outlier: 3.663A pdb=" N GLU B1699 " --> pdb=" O LEU B1695 " (cutoff:3.500A) removed outlier: 3.611A pdb=" N ASP B1700 " --> pdb=" O HIS B1696 " (cutoff:3.500A) Processing helix chain 'B' and resid 1707 through 1709 No H-bonds generated for 'chain 'B' and resid 1707 through 1709' Processing helix chain 'B' and resid 1710 through 1718 removed outlier: 4.377A pdb=" N LEU B1714 " --> pdb=" O GLY B1710 " (cutoff:3.500A) removed outlier: 4.635A pdb=" N ILE B1716 " --> pdb=" O TYR B1712 " (cutoff:3.500A) Processing helix chain 'B' and resid 1723 through 1730 Processing helix chain 'B' and resid 1739 through 1744 Processing helix chain 'B' and resid 1753 through 1758 removed outlier: 4.252A pdb=" N ALA B1757 " --> pdb=" O LYS B1753 " (cutoff:3.500A) Processing helix chain 'B' and resid 1804 through 1823 removed outlier: 3.616A pdb=" N GLY B1823 " --> pdb=" O VAL B1819 " (cutoff:3.500A) Processing helix chain 'B' and resid 1833 through 1838 Processing helix chain 'B' and resid 1840 through 1851 Processing helix chain 'B' and resid 1855 through 1863 Processing helix chain 'B' and resid 1866 through 1871 Processing helix chain 'B' and resid 1925 through 1929 removed outlier: 3.657A pdb=" N GLN B1928 " --> pdb=" O GLY B1925 " (cutoff:3.500A) removed outlier: 3.674A pdb=" N MET B1929 " --> pdb=" O LEU B1926 " (cutoff:3.500A) No H-bonds generated for 'chain 'B' and resid 1925 through 1929' Processing helix chain 'B' and resid 1933 through 1982 removed outlier: 3.766A pdb=" N TYR B1945 " --> pdb=" O ASN B1941 " (cutoff:3.500A) removed outlier: 3.878A pdb=" N PHE B1946 " --> pdb=" O LEU B1942 " (cutoff:3.500A) removed outlier: 3.615A pdb=" N CYS B1947 " --> pdb=" O LEU B1943 " (cutoff:3.500A) removed outlier: 3.764A pdb=" N GLU B1963 " --> pdb=" O ALA B1959 " (cutoff:3.500A) removed outlier: 3.778A pdb=" N ARG B1964 " --> pdb=" O ALA B1960 " (cutoff:3.500A) removed outlier: 3.514A pdb=" N TYR B1965 " --> pdb=" O PHE B1961 " (cutoff:3.500A) removed outlier: 3.815A pdb=" N VAL B1966 " --> pdb=" O ALA B1962 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N ASP B1967 " --> pdb=" O GLU B1963 " (cutoff:3.500A) removed outlier: 3.810A pdb=" N LYS B1968 " --> pdb=" O ARG B1964 " (cutoff:3.500A) removed outlier: 3.562A pdb=" N ALA B1978 " --> pdb=" O ARG B1974 " (cutoff:3.500A) Processing helix chain 'B' and resid 1989 through 1994 removed outlier: 3.889A pdb=" N ARG B1993 " --> pdb=" O ALA B1989 " (cutoff:3.500A) removed outlier: 3.922A pdb=" N ARG B1994 " --> pdb=" O GLU B1990 " (cutoff:3.500A) No H-bonds generated for 'chain 'B' and resid 1989 through 1994' Processing helix chain 'B' and resid 1994 through 1999 Processing helix chain 'B' and resid 2001 through 2011 removed outlier: 3.676A pdb=" N ILE B2006 " --> pdb=" O PRO B2002 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N ASN B2007 " --> pdb=" O GLN B2003 " (cutoff:3.500A) removed outlier: 4.400A pdb=" N HIS B2011 " --> pdb=" O ASN B2007 " (cutoff:3.500A) Processing helix chain 'B' and resid 2026 through 2042 removed outlier: 3.706A pdb=" N ASP B2030 " --> pdb=" O ASP B2026 " (cutoff:3.500A) removed outlier: 4.179A pdb=" N LEU B2031 " --> pdb=" O ILE B2027 " (cutoff:3.500A) removed outlier: 3.880A pdb=" N GLN B2032 " --> pdb=" O ARG B2028 " (cutoff:3.500A) Processing helix chain 'B' and resid 2094 through 2107 removed outlier: 3.608A pdb=" N HIS B2100 " --> pdb=" O GLU B2096 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N VAL B2103 " --> pdb=" O SER B2099 " (cutoff:3.500A) removed outlier: 3.588A pdb=" N TRP B2105 " --> pdb=" O MET B2101 " (cutoff:3.500A) Processing helix chain 'B' and resid 2113 through 2129 removed outlier: 3.669A pdb=" N VAL B2117 " --> pdb=" O SER B2113 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N TYR B2128 " --> pdb=" O LEU B2124 " (cutoff:3.500A) Processing helix chain 'B' and resid 2129 through 2138 Processing helix chain 'B' and resid 2148 through 2165 removed outlier: 3.664A pdb=" N CYS B2158 " --> pdb=" O SER B2154 " (cutoff:3.500A) Processing helix chain 'B' and resid 2171 through 2187 removed outlier: 3.682A pdb=" N LEU B2177 " --> pdb=" O GLN B2173 " (cutoff:3.500A) Processing helix chain 'B' and resid 2189 through 2194 Processing helix chain 'B' and resid 2194 through 2201 removed outlier: 3.685A pdb=" N MET B2198 " --> pdb=" O HIS B2194 " (cutoff:3.500A) Processing helix chain 'B' and resid 2202 through 2216 removed outlier: 3.842A pdb=" N VAL B2210 " --> pdb=" O THR B2206 " (cutoff:3.500A) removed outlier: 3.628A pdb=" N ASN B2213 " --> pdb=" O GLU B2209 " (cutoff:3.500A) Processing helix chain 'B' and resid 2227 through 2242 removed outlier: 3.708A pdb=" N CYS B2233 " --> pdb=" O VAL B2229 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N TYR B2238 " --> pdb=" O ARG B2234 " (cutoff:3.500A) Processing helix chain 'B' and resid 2245 through 2252 removed outlier: 3.636A pdb=" N ASP B2252 " --> pdb=" O ARG B2248 " (cutoff:3.500A) Processing helix chain 'B' and resid 2253 through 2262 removed outlier: 4.111A pdb=" N ASN B2260 " --> pdb=" O TYR B2256 " (cutoff:3.500A) Processing helix chain 'B' and resid 2271 through 2279 removed outlier: 3.531A pdb=" N ALA B2276 " --> pdb=" O PRO B2272 " (cutoff:3.500A) removed outlier: 3.549A pdb=" N SER B2279 " --> pdb=" O VAL B2275 " (cutoff:3.500A) Processing helix chain 'B' and resid 2294 through 2306 removed outlier: 3.527A pdb=" N VAL B2298 " --> pdb=" O ASP B2294 " (cutoff:3.500A) removed outlier: 3.632A pdb=" N VAL B2299 " --> pdb=" O LEU B2295 " (cutoff:3.500A) Processing helix chain 'B' and resid 2310 through 2315 removed outlier: 4.054A pdb=" N ALA B2315 " --> pdb=" O PRO B2311 " (cutoff:3.500A) Processing helix chain 'B' and resid 2326 through 2331 removed outlier: 3.581A pdb=" N TYR B2331 " --> pdb=" O GLY B2327 " (cutoff:3.500A) Processing helix chain 'B' and resid 2346 through 2355 removed outlier: 3.907A pdb=" N ALA B2350 " --> pdb=" O VAL B2346 " (cutoff:3.500A) removed outlier: 5.001A pdb=" N VAL B2352 " --> pdb=" O GLU B2348 " (cutoff:3.500A) removed outlier: 3.991A pdb=" N VAL B2353 " --> pdb=" O ASN B2349 " (cutoff:3.500A) Processing helix chain 'B' and resid 2360 through 2364 Processing helix chain 'B' and resid 2375 through 2388 removed outlier: 3.543A pdb=" N ARG B2385 " --> pdb=" O GLU B2381 " (cutoff:3.500A) Processing helix chain 'B' and resid 2389 through 2393 Processing helix chain 'B' and resid 2418 through 2434 removed outlier: 3.767A pdb=" N MET B2423 " --> pdb=" O GLY B2419 " (cutoff:3.500A) removed outlier: 3.736A pdb=" N ALA B2428 " --> pdb=" O SER B2424 " (cutoff:3.500A) Processing helix chain 'B' and resid 2440 through 2445 Processing helix chain 'B' and resid 2448 through 2461 removed outlier: 3.681A pdb=" N ILE B2453 " --> pdb=" O GLU B2449 " (cutoff:3.500A) Processing helix chain 'B' and resid 2466 through 2471 removed outlier: 3.613A pdb=" N ILE B2470 " --> pdb=" O LEU B2466 " (cutoff:3.500A) Processing helix chain 'B' and resid 2499 through 2501 No H-bonds generated for 'chain 'B' and resid 2499 through 2501' Processing helix chain 'B' and resid 2502 through 2507 removed outlier: 3.943A pdb=" N UNK B2506 " --> pdb=" O UNK B2502 " (cutoff:3.500A) Processing helix chain 'B' and resid 2516 through 2522 Processing helix chain 'B' and resid 2525 through 2530 Processing helix chain 'B' and resid 2542 through 2548 removed outlier: 3.698A pdb=" N UNK B2546 " --> pdb=" O UNK B2542 " (cutoff:3.500A) Processing helix chain 'B' and resid 2551 through 2557 removed outlier: 3.825A pdb=" N UNK B2555 " --> pdb=" O UNK B2551 " (cutoff:3.500A) Processing helix chain 'B' and resid 2567 through 2581 removed outlier: 3.550A pdb=" N UNK B2578 " --> pdb=" O UNK B2574 " (cutoff:3.500A) Processing helix chain 'B' and resid 2587 through 2602 removed outlier: 3.542A pdb=" N UNK B2597 " --> pdb=" O UNK B2593 " (cutoff:3.500A) removed outlier: 3.877A pdb=" N UNK B2602 " --> pdb=" O UNK B2598 " (cutoff:3.500A) Processing helix chain 'B' and resid 2610 through 2618 removed outlier: 3.634A pdb=" N UNK B2617 " --> pdb=" O UNK B2613 " (cutoff:3.500A) removed outlier: 3.854A pdb=" N UNK B2618 " --> pdb=" O UNK B2614 " (cutoff:3.500A) Processing helix chain 'B' and resid 2626 through 2641 removed outlier: 3.943A pdb=" N UNK B2630 " --> pdb=" O UNK B2626 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N UNK B2631 " --> pdb=" O UNK B2627 " (cutoff:3.500A) removed outlier: 3.650A pdb=" N UNK B2634 " --> pdb=" O UNK B2630 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N UNK B2635 " --> pdb=" O UNK B2631 " (cutoff:3.500A) removed outlier: 3.700A pdb=" N UNK B2641 " --> pdb=" O UNK B2637 " (cutoff:3.500A) Processing helix chain 'B' and resid 2650 through 2666 Processing helix chain 'B' and resid 2677 through 2683 removed outlier: 3.926A pdb=" N UNK B2681 " --> pdb=" O UNK B2677 " (cutoff:3.500A) removed outlier: 4.097A pdb=" N UNK B2683 " --> pdb=" O UNK B2679 " (cutoff:3.500A) Processing helix chain 'B' and resid 2751 through 2773 removed outlier: 3.831A pdb=" N PHE B2768 " --> pdb=" O GLU B2764 " (cutoff:3.500A) removed outlier: 3.722A pdb=" N ASP B2769 " --> pdb=" O LYS B2765 " (cutoff:3.500A) Processing helix chain 'B' and resid 2793 through 2797 removed outlier: 3.515A pdb=" N THR B2796 " --> pdb=" O PRO B2793 " (cutoff:3.500A) removed outlier: 3.594A pdb=" N PHE B2797 " --> pdb=" O TYR B2794 " (cutoff:3.500A) No H-bonds generated for 'chain 'B' and resid 2793 through 2797' Processing helix chain 'B' and resid 2800 through 2804 removed outlier: 3.555A pdb=" N ILE B2804 " --> pdb=" O ASP B2801 " (cutoff:3.500A) Processing helix chain 'B' and resid 2809 through 2820 removed outlier: 3.920A pdb=" N ALA B2815 " --> pdb=" O GLU B2811 " (cutoff:3.500A) removed outlier: 3.783A pdb=" N MET B2816 " --> pdb=" O SER B2812 " (cutoff:3.500A) Processing helix chain 'B' and resid 2868 through 2895 removed outlier: 4.047A pdb=" N MET B2874 " --> pdb=" O GLU B2870 " (cutoff:3.500A) removed outlier: 3.695A pdb=" N ALA B2875 " --> pdb=" O LEU B2871 " (cutoff:3.500A) removed outlier: 3.579A pdb=" N GLU B2876 " --> pdb=" O GLN B2872 " (cutoff:3.500A) removed outlier: 4.011A pdb=" N TRP B2886 " --> pdb=" O TYR B2882 " (cutoff:3.500A) Processing helix chain 'B' and resid 2907 through 2911 Processing helix chain 'B' and resid 2914 through 2932 removed outlier: 3.908A pdb=" N ARG B2920 " --> pdb=" O LYS B2916 " (cutoff:3.500A) removed outlier: 3.532A pdb=" N GLU B2921 " --> pdb=" O ALA B2917 " (cutoff:3.500A) removed outlier: 3.618A pdb=" N LEU B2926 " --> pdb=" O LYS B2922 " (cutoff:3.500A) Processing helix chain 'B' and resid 2933 through 2935 No H-bonds generated for 'chain 'B' and resid 2933 through 2935' Processing helix chain 'B' and resid 2950 through 2976 removed outlier: 4.155A pdb=" N UNK B2956 " --> pdb=" O UNK B2952 " (cutoff:3.500A) removed outlier: 3.578A pdb=" N UNK B2968 " --> pdb=" O UNK B2964 " (cutoff:3.500A) removed outlier: 3.901A pdb=" N UNK B2969 " --> pdb=" O UNK B2965 " (cutoff:3.500A) Processing helix chain 'B' and resid 2999 through 3016 removed outlier: 3.630A pdb=" N UNK B3004 " --> pdb=" O UNK B3000 " (cutoff:3.500A) removed outlier: 3.629A pdb=" N UNK B3006 " --> pdb=" O UNK B3002 " (cutoff:3.500A) removed outlier: 3.676A pdb=" N UNK B3009 " --> pdb=" O UNK B3005 " (cutoff:3.500A) removed outlier: 3.703A pdb=" N UNK B3010 " --> pdb=" O UNK B3006 " (cutoff:3.500A) removed outlier: 3.878A pdb=" N UNK B3013 " --> pdb=" O UNK B3009 " (cutoff:3.500A) Processing helix chain 'B' and resid 3017 through 3022 Processing helix chain 'B' and resid 3029 through 3040 removed outlier: 3.592A pdb=" N UNK B3037 " --> pdb=" O UNK B3033 " (cutoff:3.500A) Processing helix chain 'B' and resid 3052 through 3058 removed outlier: 4.074A pdb=" N UNK B3056 " --> pdb=" O UNK B3052 " (cutoff:3.500A) Processing helix chain 'B' and resid 3058 through 3063 removed outlier: 4.222A pdb=" N UNK B3062 " --> pdb=" O UNK B3058 " (cutoff:3.500A) Processing helix chain 'B' and resid 3141 through 3146 Processing helix chain 'B' and resid 3146 through 3151 Processing helix chain 'B' and resid 3151 through 3162 Processing helix chain 'B' and resid 3175 through 3186 removed outlier: 3.604A pdb=" N UNK B3182 " --> pdb=" O UNK B3178 " (cutoff:3.500A) Processing helix chain 'B' and resid 3198 through 3212 removed outlier: 3.529A pdb=" N UNK B3205 " --> pdb=" O UNK B3201 " (cutoff:3.500A) Processing helix chain 'B' and resid 3224 through 3230 removed outlier: 3.790A pdb=" N UNK B3228 " --> pdb=" O UNK B3224 " (cutoff:3.500A) Processing helix chain 'B' and resid 3248 through 3254 removed outlier: 3.545A pdb=" N UNK B3252 " --> pdb=" O UNK B3248 " (cutoff:3.500A) Processing helix chain 'B' and resid 3271 through 3280 Processing helix chain 'B' and resid 3280 through 3285 removed outlier: 3.968A pdb=" N UNK B3284 " --> pdb=" O UNK B3280 " (cutoff:3.500A) Processing helix chain 'B' and resid 3305 through 3310 Processing helix chain 'B' and resid 3316 through 3331 removed outlier: 3.517A pdb=" N UNK B3321 " --> pdb=" O UNK B3317 " (cutoff:3.500A) removed outlier: 3.899A pdb=" N UNK B3323 " --> pdb=" O UNK B3319 " (cutoff:3.500A) removed outlier: 4.645A pdb=" N UNK B3324 " --> pdb=" O UNK B3320 " (cutoff:3.500A) removed outlier: 3.569A pdb=" N UNK B3330 " --> pdb=" O UNK B3326 " (cutoff:3.500A) Processing helix chain 'B' and resid 3344 through 3349 removed outlier: 3.546A pdb=" N UNK B3348 " --> pdb=" O UNK B3344 " (cutoff:3.500A) Processing helix chain 'B' and resid 3361 through 3388 Processing helix chain 'B' and resid 3399 through 3409 removed outlier: 3.507A pdb=" N UNK B3403 " --> pdb=" O UNK B3399 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N UNK B3405 " --> pdb=" O UNK B3401 " (cutoff:3.500A) removed outlier: 3.732A pdb=" N UNK B3407 " --> pdb=" O UNK B3403 " (cutoff:3.500A) removed outlier: 3.873A pdb=" N UNK B3409 " --> pdb=" O UNK B3405 " (cutoff:3.500A) Processing helix chain 'B' and resid 3410 through 3425 removed outlier: 3.964A pdb=" N UNK B3416 " --> pdb=" O UNK B3412 " (cutoff:3.500A) removed outlier: 4.412A pdb=" N UNK B3420 " --> pdb=" O UNK B3416 " (cutoff:3.500A) removed outlier: 3.548A pdb=" N UNK B3421 " --> pdb=" O UNK B3417 " (cutoff:3.500A) Processing helix chain 'B' and resid 3437 through 3443 Processing helix chain 'B' and resid 3445 through 3450 Processing helix chain 'B' and resid 3461 through 3468 removed outlier: 3.533A pdb=" N UNK B3468 " --> pdb=" O UNK B3464 " (cutoff:3.500A) Processing helix chain 'B' and resid 3518 through 3521 removed outlier: 3.517A pdb=" N UNK B3521 " --> pdb=" O UNK B3518 " (cutoff:3.500A) No H-bonds generated for 'chain 'B' and resid 3518 through 3521' Processing helix chain 'B' and resid 3522 through 3529 removed outlier: 3.651A pdb=" N UNK B3529 " --> pdb=" O UNK B3525 " (cutoff:3.500A) Processing helix chain 'B' and resid 3541 through 3547 removed outlier: 3.509A pdb=" N UNK B3547 " --> pdb=" O UNK B3543 " (cutoff:3.500A) Processing helix chain 'B' and resid 3551 through 3560 Processing helix chain 'B' and resid 3574 through 3579 removed outlier: 3.613A pdb=" N UNK B3579 " --> pdb=" O UNK B3575 " (cutoff:3.500A) Processing helix chain 'B' and resid 3589 through 3611 removed outlier: 4.019A pdb=" N UNK B3595 " --> pdb=" O UNK B3591 " (cutoff:3.500A) removed outlier: 3.662A pdb=" N UNK B3598 " --> pdb=" O UNK B3594 " (cutoff:3.500A) removed outlier: 3.905A pdb=" N UNK B3600 " --> pdb=" O UNK B3596 " (cutoff:3.500A) removed outlier: 3.844A pdb=" N UNK B3601 " --> pdb=" O UNK B3597 " (cutoff:3.500A) removed outlier: 3.603A pdb=" N UNK B3610 " --> pdb=" O UNK B3606 " (cutoff:3.500A) removed outlier: 3.855A pdb=" N UNK B3611 " --> pdb=" O UNK B3607 " (cutoff:3.500A) Processing helix chain 'B' and resid 3645 through 3656 removed outlier: 3.796A pdb=" N GLU B3655 " --> pdb=" O ASN B3651 " (cutoff:3.500A) Processing helix chain 'B' and resid 3657 through 3661 Processing helix chain 'B' and resid 3671 through 3680 removed outlier: 3.601A pdb=" N ASP B3676 " --> pdb=" O ARG B3672 " (cutoff:3.500A) removed outlier: 4.014A pdb=" N LEU B3677 " --> pdb=" O MET B3673 " (cutoff:3.500A) removed outlier: 3.836A pdb=" N SER B3678 " --> pdb=" O ILE B3674 " (cutoff:3.500A) Processing helix chain 'B' and resid 3681 through 3683 No H-bonds generated for 'chain 'B' and resid 3681 through 3683' Processing helix chain 'B' and resid 3696 through 3711 removed outlier: 3.596A pdb=" N ALA B3709 " --> pdb=" O PHE B3705 " (cutoff:3.500A) removed outlier: 3.976A pdb=" N THR B3711 " --> pdb=" O ARG B3707 " (cutoff:3.500A) Processing helix chain 'B' and resid 3719 through 3738 removed outlier: 3.693A pdb=" N GLU B3736 " --> pdb=" O SER B3732 " (cutoff:3.500A) Processing helix chain 'B' and resid 3752 through 3770 removed outlier: 3.532A pdb=" N GLU B3757 " --> pdb=" O PHE B3753 " (cutoff:3.500A) removed outlier: 3.695A pdb=" N GLU B3759 " --> pdb=" O GLU B3755 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N LYS B3760 " --> pdb=" O LYS B3756 " (cutoff:3.500A) removed outlier: 3.994A pdb=" N ARG B3762 " --> pdb=" O MET B3758 " (cutoff:3.500A) removed outlier: 4.058A pdb=" N GLN B3767 " --> pdb=" O LEU B3763 " (cutoff:3.500A) removed outlier: 3.996A pdb=" N SER B3768 " --> pdb=" O LEU B3764 " (cutoff:3.500A) Processing helix chain 'B' and resid 3771 through 3784 removed outlier: 4.419A pdb=" N GLU B3777 " --> pdb=" O ARG B3773 " (cutoff:3.500A) removed outlier: 4.013A pdb=" N MET B3778 " --> pdb=" O GLY B3774 " (cutoff:3.500A) removed outlier: 3.674A pdb=" N VAL B3779 " --> pdb=" O ALA B3775 " (cutoff:3.500A) removed outlier: 5.329A pdb=" N LEU B3780 " --> pdb=" O ALA B3776 " (cutoff:3.500A) Processing helix chain 'B' and resid 3791 through 3803 removed outlier: 4.021A pdb=" N LYS B3799 " --> pdb=" O SER B3795 " (cutoff:3.500A) removed outlier: 3.546A pdb=" N LEU B3800 " --> pdb=" O SER B3796 " (cutoff:3.500A) Processing helix chain 'B' and resid 3809 through 3824 Processing helix chain 'B' and resid 3827 through 3838 removed outlier: 3.512A pdb=" N ILE B3832 " --> pdb=" O PHE B3828 " (cutoff:3.500A) Processing helix chain 'B' and resid 3843 through 3856 removed outlier: 3.575A pdb=" N LYS B3852 " --> pdb=" O GLU B3848 " (cutoff:3.500A) Processing helix chain 'B' and resid 3877 through 3890 removed outlier: 4.412A pdb=" N ASP B3883 " --> pdb=" O GLU B3879 " (cutoff:3.500A) removed outlier: 3.619A pdb=" N ARG B3886 " --> pdb=" O GLN B3882 " (cutoff:3.500A) removed outlier: 3.565A pdb=" N PHE B3887 " --> pdb=" O ASP B3883 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N LEU B3888 " --> pdb=" O LEU B3884 " (cutoff:3.500A) Processing helix chain 'B' and resid 3898 through 3903 Processing helix chain 'B' and resid 3914 through 3938 removed outlier: 3.978A pdb=" N CYS B3918 " --> pdb=" O ASN B3914 " (cutoff:3.500A) removed outlier: 3.798A pdb=" N TYR B3934 " --> pdb=" O ILE B3930 " (cutoff:3.500A) removed outlier: 4.432A pdb=" N TRP B3935 " --> pdb=" O SER B3931 " (cutoff:3.500A) removed outlier: 3.906A pdb=" N TYR B3936 " --> pdb=" O ASP B3932 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N TYR B3937 " --> pdb=" O PHE B3933 " (cutoff:3.500A) Processing helix chain 'B' and resid 3944 through 3970 removed outlier: 3.640A pdb=" N LYS B3953 " --> pdb=" O ARG B3949 " (cutoff:3.500A) removed outlier: 4.600A pdb=" N ALA B3954 " --> pdb=" O ASN B3950 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N MET B3955 " --> pdb=" O PHE B3951 " (cutoff:3.500A) removed outlier: 3.710A pdb=" N GLN B3960 " --> pdb=" O SER B3956 " (cutoff:3.500A) removed outlier: 3.583A pdb=" N GLU B3967 " --> pdb=" O ASN B3963 " (cutoff:3.500A) removed outlier: 3.768A pdb=" N TYR B3968 " --> pdb=" O SER B3964 " (cutoff:3.500A) removed outlier: 4.013A pdb=" N ILE B3969 " --> pdb=" O LEU B3965 " (cutoff:3.500A) Processing helix chain 'B' and resid 3973 through 3983 Processing helix chain 'B' and resid 3984 through 4003 removed outlier: 3.689A pdb=" N ALA B3988 " --> pdb=" O ARG B3984 " (cutoff:3.500A) removed outlier: 3.856A pdb=" N GLY B3991 " --> pdb=" O ASP B3987 " (cutoff:3.500A) removed outlier: 3.784A pdb=" N PHE B3992 " --> pdb=" O ALA B3988 " (cutoff:3.500A) removed outlier: 4.158A pdb=" N LEU B3993 " --> pdb=" O VAL B3989 " (cutoff:3.500A) removed outlier: 3.653A pdb=" N HIS B3994 " --> pdb=" O VAL B3990 " (cutoff:3.500A) removed outlier: 3.586A pdb=" N HIS B3998 " --> pdb=" O HIS B3994 " (cutoff:3.500A) removed outlier: 4.150A pdb=" N MET B4000 " --> pdb=" O PHE B3996 " (cutoff:3.500A) Processing helix chain 'B' and resid 4004 through 4008 removed outlier: 5.161A pdb=" N SER B4007 " --> pdb=" O ALA B4004 " (cutoff:3.500A) removed outlier: 6.459A pdb=" N SER B4008 " --> pdb=" O GLN B4005 " (cutoff:3.500A) No H-bonds generated for 'chain 'B' and resid 4004 through 4008' Processing helix chain 'B' and resid 4009 through 4030 removed outlier: 4.100A pdb=" N MET B4026 " --> pdb=" O ASP B4022 " (cutoff:3.500A) removed outlier: 3.501A pdb=" N LEU B4027 " --> pdb=" O MET B4023 " (cutoff:3.500A) Processing helix chain 'B' and resid 4039 through 4051 removed outlier: 3.631A pdb=" N ASP B4046 " --> pdb=" O ARG B4042 " (cutoff:3.500A) removed outlier: 3.752A pdb=" N SER B4051 " --> pdb=" O MET B4047 " (cutoff:3.500A) Processing helix chain 'B' and resid 4051 through 4065 removed outlier: 3.513A pdb=" N PHE B4061 " --> pdb=" O MET B4057 " (cutoff:3.500A) Processing helix chain 'B' and resid 4067 through 4072 Processing helix chain 'B' and resid 4074 through 4081 removed outlier: 3.514A pdb=" N GLN B4078 " --> pdb=" O SER B4074 " (cutoff:3.500A) removed outlier: 4.630A pdb=" N TYR B4080 " --> pdb=" O ALA B4076 " (cutoff:3.500A) removed outlier: 4.168A pdb=" N VAL B4081 " --> pdb=" O PHE B4077 " (cutoff:3.500A) Processing helix chain 'B' and resid 4090 through 4100 removed outlier: 3.756A pdb=" N ASP B4098 " --> pdb=" O GLN B4094 " (cutoff:3.500A) Processing helix chain 'B' and resid 4104 through 4114 Processing helix chain 'B' and resid 4117 through 4122 removed outlier: 3.792A pdb=" N MET B4122 " --> pdb=" O ASP B4118 " (cutoff:3.500A) Processing helix chain 'B' and resid 4125 through 4137 removed outlier: 3.515A pdb=" N ASN B4130 " --> pdb=" O GLU B4126 " (cutoff:3.500A) removed outlier: 4.246A pdb=" N ARG B4131 " --> pdb=" O GLU B4127 " (cutoff:3.500A) removed outlier: 4.277A pdb=" N PHE B4132 " --> pdb=" O PHE B4128 " (cutoff:3.500A) removed outlier: 4.190A pdb=" N GLN B4133 " --> pdb=" O ALA B4129 " (cutoff:3.500A) removed outlier: 3.531A pdb=" N GLU B4134 " --> pdb=" O ASN B4130 " (cutoff:3.500A) Proline residue: B4135 - end of helix Processing helix chain 'B' and resid 4138 through 4154 removed outlier: 3.727A pdb=" N ASN B4142 " --> pdb=" O ASP B4138 " (cutoff:3.500A) removed outlier: 3.584A pdb=" N GLU B4152 " --> pdb=" O THR B4148 " (cutoff:3.500A) removed outlier: 3.819A pdb=" N VAL B4154 " --> pdb=" O LEU B4150 " (cutoff:3.500A) Processing helix chain 'B' and resid 4157 through 4167 Processing helix chain 'B' and resid 4168 through 4174 Processing helix chain 'B' and resid 4198 through 4206 removed outlier: 3.660A pdb=" N ARG B4202 " --> pdb=" O SER B4198 " (cutoff:3.500A) Processing helix chain 'B' and resid 4207 through 4224 removed outlier: 3.970A pdb=" N VAL B4222 " --> pdb=" O ILE B4218 " (cutoff:3.500A) Processing helix chain 'B' and resid 4228 through 4252 removed outlier: 4.078A pdb=" N PHE B4234 " --> pdb=" O LYS B4230 " (cutoff:3.500A) removed outlier: 3.831A pdb=" N PHE B4243 " --> pdb=" O GLU B4239 " (cutoff:3.500A) removed outlier: 3.840A pdb=" N GLN B4250 " --> pdb=" O GLN B4246 " (cutoff:3.500A) removed outlier: 4.093A pdb=" N ILE B4251 " --> pdb=" O ILE B4247 " (cutoff:3.500A) removed outlier: 3.736A pdb=" N SER B4252 " --> pdb=" O ALA B4248 " (cutoff:3.500A) Processing helix chain 'B' and resid 4542 through 4558 removed outlier: 3.952A pdb=" N TYR B4554 " --> pdb=" O LYS B4550 " (cutoff:3.500A) removed outlier: 3.877A pdb=" N ASN B4558 " --> pdb=" O TYR B4554 " (cutoff:3.500A) Processing helix chain 'B' and resid 4558 through 4576 removed outlier: 3.973A pdb=" N PHE B4571 " --> pdb=" O LEU B4567 " (cutoff:3.500A) removed outlier: 3.823A pdb=" N ALA B4572 " --> pdb=" O PHE B4568 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N ILE B4573 " --> pdb=" O LEU B4569 " (cutoff:3.500A) Processing helix chain 'B' and resid 4577 through 4579 No H-bonds generated for 'chain 'B' and resid 4577 through 4579' Processing helix chain 'B' and resid 4641 through 4665 removed outlier: 3.539A pdb=" N THR B4651 " --> pdb=" O SER B4647 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N ALA B4654 " --> pdb=" O HIS B4650 " (cutoff:3.500A) removed outlier: 3.558A pdb=" N PHE B4655 " --> pdb=" O THR B4651 " (cutoff:3.500A) removed outlier: 3.987A pdb=" N ILE B4659 " --> pdb=" O PHE B4655 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N GLY B4660 " --> pdb=" O LEU B4656 " (cutoff:3.500A) Processing helix chain 'B' and resid 4667 through 4683 removed outlier: 3.770A pdb=" N ALA B4678 " --> pdb=" O GLU B4674 " (cutoff:3.500A) Processing helix chain 'B' and resid 4697 through 4702 Processing helix chain 'B' and resid 4703 through 4708 removed outlier: 3.573A pdb=" N LEU B4706 " --> pdb=" O ARG B4703 " (cutoff:3.500A) removed outlier: 4.474A pdb=" N ASN B4707 " --> pdb=" O LEU B4704 " (cutoff:3.500A) Processing helix chain 'B' and resid 4719 through 4728 Processing helix chain 'B' and resid 4733 through 4741 Processing helix chain 'B' and resid 4748 through 4753 removed outlier: 3.530A pdb=" N ALA B4752 " --> pdb=" O LEU B4748 " (cutoff:3.500A) Processing helix chain 'B' and resid 4772 through 4786 removed outlier: 3.796A pdb=" N PHE B4780 " --> pdb=" O GLN B4776 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N GLY B4781 " --> pdb=" O ILE B4777 " (cutoff:3.500A) Processing helix chain 'B' and resid 4786 through 4803 removed outlier: 3.605A pdb=" N VAL B4797 " --> pdb=" O GLY B4793 " (cutoff:3.500A) removed outlier: 4.194A pdb=" N MET B4798 " --> pdb=" O TRP B4794 " (cutoff:3.500A) removed outlier: 4.297A pdb=" N SER B4799 " --> pdb=" O TYR B4795 " (cutoff:3.500A) removed outlier: 3.658A pdb=" N LEU B4800 " --> pdb=" O MET B4796 " (cutoff:3.500A) removed outlier: 3.603A pdb=" N HIS B4803 " --> pdb=" O SER B4799 " (cutoff:3.500A) Processing helix chain 'B' and resid 4812 through 4819 removed outlier: 3.717A pdb=" N ILE B4816 " --> pdb=" O HIS B4812 " (cutoff:3.500A) Processing helix chain 'B' and resid 4820 through 4833 removed outlier: 4.064A pdb=" N ILE B4826 " --> pdb=" O THR B4822 " (cutoff:3.500A) removed outlier: 3.918A pdb=" N ASN B4833 " --> pdb=" O SER B4829 " (cutoff:3.500A) Processing helix chain 'B' and resid 4833 through 4858 removed outlier: 3.570A pdb=" N VAL B4838 " --> pdb=" O GLY B4834 " (cutoff:3.500A) removed outlier: 4.755A pdb=" N MET B4839 " --> pdb=" O LYS B4835 " (cutoff:3.500A) removed outlier: 3.515A pdb=" N GLY B4842 " --> pdb=" O VAL B4838 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N LEU B4844 " --> pdb=" O THR B4840 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N ALA B4845 " --> pdb=" O VAL B4841 " (cutoff:3.500A) removed outlier: 3.742A pdb=" N VAL B4848 " --> pdb=" O LEU B4844 " (cutoff:3.500A) removed outlier: 3.675A pdb=" N VAL B4853 " --> pdb=" O TYR B4849 " (cutoff:3.500A) removed outlier: 3.789A pdb=" N VAL B4854 " --> pdb=" O LEU B4850 " (cutoff:3.500A) removed outlier: 4.377A pdb=" N ALA B4855 " --> pdb=" O TYR B4851 " (cutoff:3.500A) Processing helix chain 'B' and resid 4859 through 4863 removed outlier: 3.764A pdb=" N PHE B4862 " --> pdb=" O PHE B4859 " (cutoff:3.500A) removed outlier: 3.908A pdb=" N TYR B4863 " --> pdb=" O ARG B4860 " (cutoff:3.500A) No H-bonds generated for 'chain 'B' and resid 4859 through 4863' Processing helix chain 'B' and resid 4878 through 4889 removed outlier: 3.800A pdb=" N PHE B4885 " --> pdb=" O THR B4881 " (cutoff:3.500A) removed outlier: 3.567A pdb=" N HIS B4886 " --> pdb=" O CYS B4882 " (cutoff:3.500A) Processing helix chain 'B' and resid 4896 through 4900 removed outlier: 3.933A pdb=" N ASP B4899 " --> pdb=" O GLY B4896 " (cutoff:3.500A) removed outlier: 3.607A pdb=" N GLU B4900 " --> pdb=" O ILE B4897 " (cutoff:3.500A) No H-bonds generated for 'chain 'B' and resid 4896 through 4900' Processing helix chain 'B' and resid 4912 through 4922 removed outlier: 3.903A pdb=" N ILE B4918 " --> pdb=" O VAL B4914 " (cutoff:3.500A) Processing helix chain 'B' and resid 4926 through 4957 removed outlier: 3.708A pdb=" N ILE B4936 " --> pdb=" O ILE B4932 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N ILE B4937 " --> pdb=" O GLN B4933 " (cutoff:3.500A) removed outlier: 3.543A pdb=" N VAL B4950 " --> pdb=" O GLN B4946 " (cutoff:3.500A) removed outlier: 3.723A pdb=" N LYS B4951 " --> pdb=" O GLN B4947 " (cutoff:3.500A) removed outlier: 3.898A pdb=" N GLU B4952 " --> pdb=" O GLU B4948 " (cutoff:3.500A) removed outlier: 3.709A pdb=" N ASP B4953 " --> pdb=" O GLN B4949 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N MET B4954 " --> pdb=" O VAL B4950 " (cutoff:3.500A) removed outlier: 3.785A pdb=" N GLU B4955 " --> pdb=" O LYS B4951 " (cutoff:3.500A) Processing helix chain 'B' and resid 4964 through 4969 removed outlier: 4.006A pdb=" N TYR B4967 " --> pdb=" O GLY B4964 " (cutoff:3.500A) Processing helix chain 'B' and resid 4973 through 4981 Processing helix chain 'B' and resid 4986 through 4997 removed outlier: 3.571A pdb=" N PHE B4990 " --> pdb=" O ALA B4986 " (cutoff:3.500A) Processing helix chain 'B' and resid 5006 through 5017 removed outlier: 3.515A pdb=" N MET B5013 " --> pdb=" O TYR B5009 " (cutoff:3.500A) Processing helix chain 'E' and resid 74 through 83 Processing helix chain 'E' and resid 251 through 255 Processing helix chain 'E' and resid 395 through 412 removed outlier: 3.928A pdb=" N ARG E 402 " --> pdb=" O SER E 398 " (cutoff:3.500A) removed outlier: 3.558A pdb=" N MET E 403 " --> pdb=" O GLN E 399 " (cutoff:3.500A) Processing helix chain 'E' and resid 414 through 419 Processing helix chain 'E' and resid 438 through 450 removed outlier: 3.653A pdb=" N GLY E 450 " --> pdb=" O GLN E 446 " (cutoff:3.500A) Processing helix chain 'E' and resid 460 through 478 removed outlier: 3.565A pdb=" N GLN E 465 " --> pdb=" O HIS E 461 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N SER E 466 " --> pdb=" O GLU E 462 " (cutoff:3.500A) removed outlier: 3.949A pdb=" N PHE E 478 " --> pdb=" O ARG E 474 " (cutoff:3.500A) Processing helix chain 'E' and resid 484 through 494 Processing helix chain 'E' and resid 512 through 531 removed outlier: 4.216A pdb=" N LYS E 516 " --> pdb=" O ALA E 512 " (cutoff:3.500A) removed outlier: 4.467A pdb=" N GLU E 517 " --> pdb=" O GLU E 513 " (cutoff:3.500A) removed outlier: 3.776A pdb=" N TYR E 523 " --> pdb=" O VAL E 519 " (cutoff:3.500A) removed outlier: 3.630A pdb=" N GLU E 524 " --> pdb=" O ASN E 520 " (cutoff:3.500A) removed outlier: 3.935A pdb=" N SER E 528 " --> pdb=" O GLU E 524 " (cutoff:3.500A) removed outlier: 4.053A pdb=" N LEU E 529 " --> pdb=" O LEU E 525 " (cutoff:3.500A) removed outlier: 3.555A pdb=" N ILE E 530 " --> pdb=" O LEU E 526 " (cutoff:3.500A) Processing helix chain 'E' and resid 538 through 542 removed outlier: 3.632A pdb=" N SER E 541 " --> pdb=" O ALA E 538 " (cutoff:3.500A) removed outlier: 4.104A pdb=" N THR E 542 " --> pdb=" O LEU E 539 " (cutoff:3.500A) No H-bonds generated for 'chain 'E' and resid 538 through 542' Processing helix chain 'E' and resid 543 through 548 removed outlier: 3.746A pdb=" N VAL E 548 " --> pdb=" O LEU E 544 " (cutoff:3.500A) Processing helix chain 'E' and resid 559 through 571 removed outlier: 3.867A pdb=" N TYR E 565 " --> pdb=" O LEU E 561 " (cutoff:3.500A) removed outlier: 4.270A pdb=" N GLU E 570 " --> pdb=" O CYS E 566 " (cutoff:3.500A) removed outlier: 3.771A pdb=" N SER E 571 " --> pdb=" O VAL E 567 " (cutoff:3.500A) Processing helix chain 'E' and resid 571 through 577 removed outlier: 3.847A pdb=" N LEU E 575 " --> pdb=" O SER E 571 " (cutoff:3.500A) Processing helix chain 'E' and resid 580 through 593 Processing helix chain 'E' and resid 596 through 608 removed outlier: 3.988A pdb=" N LEU E 600 " --> pdb=" O ASN E 596 " (cutoff:3.500A) removed outlier: 3.504A pdb=" N LEU E 603 " --> pdb=" O VAL E 599 " (cutoff:3.500A) removed outlier: 3.567A pdb=" N CYS E 607 " --> pdb=" O LEU E 603 " (cutoff:3.500A) removed outlier: 4.275A pdb=" N VAL E 608 " --> pdb=" O CYS E 604 " (cutoff:3.500A) Processing helix chain 'E' and resid 614 through 625 removed outlier: 3.941A pdb=" N GLN E 618 " --> pdb=" O VAL E 614 " (cutoff:3.500A) removed outlier: 3.579A pdb=" N ASP E 619 " --> pdb=" O ARG E 615 " (cutoff:3.500A) removed outlier: 3.610A pdb=" N ILE E 621 " --> pdb=" O ASN E 617 " (cutoff:3.500A) removed outlier: 3.624A pdb=" N THR E 622 " --> pdb=" O GLN E 618 " (cutoff:3.500A) Processing helix chain 'E' and resid 864 through 889 removed outlier: 3.550A pdb=" N ILE E 870 " --> pdb=" O HIS E 866 " (cutoff:3.500A) removed outlier: 3.854A pdb=" N GLU E 872 " --> pdb=" O GLU E 868 " (cutoff:3.500A) removed outlier: 4.022A pdb=" N LYS E 873 " --> pdb=" O ARG E 869 " (cutoff:3.500A) removed outlier: 3.726A pdb=" N HIS E 879 " --> pdb=" O ALA E 875 " (cutoff:3.500A) removed outlier: 3.709A pdb=" N ARG E 886 " --> pdb=" O TRP E 882 " (cutoff:3.500A) removed outlier: 3.616A pdb=" N ILE E 887 " --> pdb=" O ALA E 883 " (cutoff:3.500A) removed outlier: 3.540A pdb=" N GLN E 889 " --> pdb=" O THR E 885 " (cutoff:3.500A) Processing helix chain 'E' and resid 914 through 932 removed outlier: 3.610A pdb=" N ASN E 919 " --> pdb=" O GLU E 915 " (cutoff:3.500A) removed outlier: 3.560A pdb=" N GLN E 923 " --> pdb=" O ASN E 919 " (cutoff:3.500A) removed outlier: 3.612A pdb=" N LEU E 932 " --> pdb=" O THR E 928 " (cutoff:3.500A) Processing helix chain 'E' and resid 933 through 936 removed outlier: 3.947A pdb=" N GLY E 936 " --> pdb=" O LEU E 933 " (cutoff:3.500A) No H-bonds generated for 'chain 'E' and resid 933 through 936' Processing helix chain 'E' and resid 980 through 1001 removed outlier: 3.709A pdb=" N LEU E 984 " --> pdb=" O ALA E 980 " (cutoff:3.500A) removed outlier: 3.566A pdb=" N ASP E 986 " --> pdb=" O THR E 982 " (cutoff:3.500A) removed outlier: 3.662A pdb=" N ALA E 989 " --> pdb=" O VAL E 985 " (cutoff:3.500A) removed outlier: 3.811A pdb=" N ASN E 994 " --> pdb=" O GLU E 990 " (cutoff:3.500A) Processing helix chain 'E' and resid 1028 through 1049 removed outlier: 4.452A pdb=" N GLN E1041 " --> pdb=" O ASP E1037 " (cutoff:3.500A) removed outlier: 4.865A pdb=" N ALA E1042 " --> pdb=" O SER E1038 " (cutoff:3.500A) removed outlier: 3.896A pdb=" N VAL E1043 " --> pdb=" O LEU E1039 " (cutoff:3.500A) removed outlier: 4.278A pdb=" N ARG E1044 " --> pdb=" O CYS E1040 " (cutoff:3.500A) removed outlier: 4.176A pdb=" N THR E1045 " --> pdb=" O GLN E1041 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N LEU E1046 " --> pdb=" O ALA E1042 " (cutoff:3.500A) Processing helix chain 'E' and resid 1078 through 1082 Processing helix chain 'E' and resid 1576 through 1581 removed outlier: 3.613A pdb=" N PHE E1580 " --> pdb=" O SER E1576 " (cutoff:3.500A) removed outlier: 4.217A pdb=" N LEU E1581 " --> pdb=" O ALA E1577 " (cutoff:3.500A) No H-bonds generated for 'chain 'E' and resid 1576 through 1581' Processing helix chain 'E' and resid 1623 through 1627 Processing helix chain 'E' and resid 1652 through 1657 removed outlier: 3.510A pdb=" N ARG E1656 " --> pdb=" O GLU E1652 " (cutoff:3.500A) Processing helix chain 'E' and resid 1658 through 1674 removed outlier: 3.782A pdb=" N TYR E1670 " --> pdb=" O THR E1666 " (cutoff:3.500A) removed outlier: 4.557A pdb=" N ARG E1671 " --> pdb=" O LEU E1667 " (cutoff:3.500A) Processing helix chain 'E' and resid 1678 through 1686 removed outlier: 3.636A pdb=" N ALA E1684 " --> pdb=" O ARG E1680 " (cutoff:3.500A) removed outlier: 4.156A pdb=" N CYS E1686 " --> pdb=" O ALA E1682 " (cutoff:3.500A) Processing helix chain 'E' and resid 1692 through 1700 removed outlier: 3.882A pdb=" N LEU E1698 " --> pdb=" O LEU E1694 " (cutoff:3.500A) removed outlier: 3.662A pdb=" N GLU E1699 " --> pdb=" O LEU E1695 " (cutoff:3.500A) removed outlier: 3.610A pdb=" N ASP E1700 " --> pdb=" O HIS E1696 " (cutoff:3.500A) Processing helix chain 'E' and resid 1707 through 1709 No H-bonds generated for 'chain 'E' and resid 1707 through 1709' Processing helix chain 'E' and resid 1710 through 1718 removed outlier: 4.375A pdb=" N LEU E1714 " --> pdb=" O GLY E1710 " (cutoff:3.500A) removed outlier: 4.636A pdb=" N ILE E1716 " --> pdb=" O TYR E1712 " (cutoff:3.500A) Processing helix chain 'E' and resid 1723 through 1730 Processing helix chain 'E' and resid 1739 through 1744 Processing helix chain 'E' and resid 1753 through 1758 removed outlier: 4.251A pdb=" N ALA E1757 " --> pdb=" O LYS E1753 " (cutoff:3.500A) Processing helix chain 'E' and resid 1804 through 1823 removed outlier: 3.617A pdb=" N GLY E1823 " --> pdb=" O VAL E1819 " (cutoff:3.500A) Processing helix chain 'E' and resid 1833 through 1838 Processing helix chain 'E' and resid 1840 through 1851 Processing helix chain 'E' and resid 1855 through 1863 Processing helix chain 'E' and resid 1866 through 1871 Processing helix chain 'E' and resid 1925 through 1929 removed outlier: 3.657A pdb=" N GLN E1928 " --> pdb=" O GLY E1925 " (cutoff:3.500A) removed outlier: 3.675A pdb=" N MET E1929 " --> pdb=" O LEU E1926 " (cutoff:3.500A) No H-bonds generated for 'chain 'E' and resid 1925 through 1929' Processing helix chain 'E' and resid 1933 through 1982 removed outlier: 3.765A pdb=" N TYR E1945 " --> pdb=" O ASN E1941 " (cutoff:3.500A) removed outlier: 3.880A pdb=" N PHE E1946 " --> pdb=" O LEU E1942 " (cutoff:3.500A) removed outlier: 3.615A pdb=" N CYS E1947 " --> pdb=" O LEU E1943 " (cutoff:3.500A) removed outlier: 3.765A pdb=" N GLU E1963 " --> pdb=" O ALA E1959 " (cutoff:3.500A) removed outlier: 3.778A pdb=" N ARG E1964 " --> pdb=" O ALA E1960 " (cutoff:3.500A) removed outlier: 3.515A pdb=" N TYR E1965 " --> pdb=" O PHE E1961 " (cutoff:3.500A) removed outlier: 3.815A pdb=" N VAL E1966 " --> pdb=" O ALA E1962 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N ASP E1967 " --> pdb=" O GLU E1963 " (cutoff:3.500A) removed outlier: 3.810A pdb=" N LYS E1968 " --> pdb=" O ARG E1964 " (cutoff:3.500A) removed outlier: 3.562A pdb=" N ALA E1978 " --> pdb=" O ARG E1974 " (cutoff:3.500A) Processing helix chain 'E' and resid 1989 through 1994 removed outlier: 3.888A pdb=" N ARG E1993 " --> pdb=" O ALA E1989 " (cutoff:3.500A) removed outlier: 3.922A pdb=" N ARG E1994 " --> pdb=" O GLU E1990 " (cutoff:3.500A) No H-bonds generated for 'chain 'E' and resid 1989 through 1994' Processing helix chain 'E' and resid 1994 through 1999 Processing helix chain 'E' and resid 2001 through 2011 removed outlier: 3.674A pdb=" N ILE E2006 " --> pdb=" O PRO E2002 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N ASN E2007 " --> pdb=" O GLN E2003 " (cutoff:3.500A) removed outlier: 4.399A pdb=" N HIS E2011 " --> pdb=" O ASN E2007 " (cutoff:3.500A) Processing helix chain 'E' and resid 2026 through 2042 removed outlier: 3.707A pdb=" N ASP E2030 " --> pdb=" O ASP E2026 " (cutoff:3.500A) removed outlier: 4.178A pdb=" N LEU E2031 " --> pdb=" O ILE E2027 " (cutoff:3.500A) removed outlier: 3.880A pdb=" N GLN E2032 " --> pdb=" O ARG E2028 " (cutoff:3.500A) Processing helix chain 'E' and resid 2094 through 2107 removed outlier: 3.609A pdb=" N HIS E2100 " --> pdb=" O GLU E2096 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N VAL E2103 " --> pdb=" O SER E2099 " (cutoff:3.500A) removed outlier: 3.586A pdb=" N TRP E2105 " --> pdb=" O MET E2101 " (cutoff:3.500A) Processing helix chain 'E' and resid 2113 through 2129 removed outlier: 3.669A pdb=" N VAL E2117 " --> pdb=" O SER E2113 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N TYR E2128 " --> pdb=" O LEU E2124 " (cutoff:3.500A) Processing helix chain 'E' and resid 2129 through 2138 Processing helix chain 'E' and resid 2148 through 2165 removed outlier: 3.664A pdb=" N CYS E2158 " --> pdb=" O SER E2154 " (cutoff:3.500A) Processing helix chain 'E' and resid 2171 through 2187 removed outlier: 3.681A pdb=" N LEU E2177 " --> pdb=" O GLN E2173 " (cutoff:3.500A) Processing helix chain 'E' and resid 2189 through 2194 Processing helix chain 'E' and resid 2194 through 2201 removed outlier: 3.686A pdb=" N MET E2198 " --> pdb=" O HIS E2194 " (cutoff:3.500A) Processing helix chain 'E' and resid 2202 through 2216 removed outlier: 3.841A pdb=" N VAL E2210 " --> pdb=" O THR E2206 " (cutoff:3.500A) removed outlier: 3.628A pdb=" N ASN E2213 " --> pdb=" O GLU E2209 " (cutoff:3.500A) Processing helix chain 'E' and resid 2227 through 2242 removed outlier: 3.709A pdb=" N CYS E2233 " --> pdb=" O VAL E2229 " (cutoff:3.500A) removed outlier: 3.643A pdb=" N TYR E2238 " --> pdb=" O ARG E2234 " (cutoff:3.500A) Processing helix chain 'E' and resid 2245 through 2252 removed outlier: 3.635A pdb=" N ASP E2252 " --> pdb=" O ARG E2248 " (cutoff:3.500A) Processing helix chain 'E' and resid 2253 through 2262 removed outlier: 4.111A pdb=" N ASN E2260 " --> pdb=" O TYR E2256 " (cutoff:3.500A) Processing helix chain 'E' and resid 2271 through 2279 removed outlier: 3.532A pdb=" N ALA E2276 " --> pdb=" O PRO E2272 " (cutoff:3.500A) removed outlier: 3.549A pdb=" N SER E2279 " --> pdb=" O VAL E2275 " (cutoff:3.500A) Processing helix chain 'E' and resid 2294 through 2306 removed outlier: 3.526A pdb=" N VAL E2298 " --> pdb=" O ASP E2294 " (cutoff:3.500A) removed outlier: 3.632A pdb=" N VAL E2299 " --> pdb=" O LEU E2295 " (cutoff:3.500A) Processing helix chain 'E' and resid 2310 through 2315 removed outlier: 4.054A pdb=" N ALA E2315 " --> pdb=" O PRO E2311 " (cutoff:3.500A) Processing helix chain 'E' and resid 2326 through 2331 removed outlier: 3.582A pdb=" N TYR E2331 " --> pdb=" O GLY E2327 " (cutoff:3.500A) Processing helix chain 'E' and resid 2346 through 2355 removed outlier: 3.906A pdb=" N ALA E2350 " --> pdb=" O VAL E2346 " (cutoff:3.500A) removed outlier: 5.000A pdb=" N VAL E2352 " --> pdb=" O GLU E2348 " (cutoff:3.500A) removed outlier: 3.991A pdb=" N VAL E2353 " --> pdb=" O ASN E2349 " (cutoff:3.500A) Processing helix chain 'E' and resid 2360 through 2364 Processing helix chain 'E' and resid 2375 through 2388 removed outlier: 3.543A pdb=" N ARG E2385 " --> pdb=" O GLU E2381 " (cutoff:3.500A) Processing helix chain 'E' and resid 2389 through 2393 Processing helix chain 'E' and resid 2418 through 2434 removed outlier: 3.766A pdb=" N MET E2423 " --> pdb=" O GLY E2419 " (cutoff:3.500A) removed outlier: 3.737A pdb=" N ALA E2428 " --> pdb=" O SER E2424 " (cutoff:3.500A) Processing helix chain 'E' and resid 2440 through 2445 Processing helix chain 'E' and resid 2448 through 2461 removed outlier: 3.681A pdb=" N ILE E2453 " --> pdb=" O GLU E2449 " (cutoff:3.500A) Processing helix chain 'E' and resid 2466 through 2471 removed outlier: 3.613A pdb=" N ILE E2470 " --> pdb=" O LEU E2466 " (cutoff:3.500A) Processing helix chain 'E' and resid 2502 through 2507 removed outlier: 3.864A pdb=" N UNK E2506 " --> pdb=" O UNK E2502 " (cutoff:3.500A) Processing helix chain 'E' and resid 2516 through 2522 Processing helix chain 'E' and resid 2525 through 2530 Processing helix chain 'E' and resid 2542 through 2548 removed outlier: 3.678A pdb=" N UNK E2546 " --> pdb=" O UNK E2542 " (cutoff:3.500A) Processing helix chain 'E' and resid 2551 through 2557 removed outlier: 3.830A pdb=" N UNK E2555 " --> pdb=" O UNK E2551 " (cutoff:3.500A) Processing helix chain 'E' and resid 2567 through 2581 Processing helix chain 'E' and resid 2587 through 2602 removed outlier: 3.525A pdb=" N UNK E2597 " --> pdb=" O UNK E2593 " (cutoff:3.500A) removed outlier: 3.890A pdb=" N UNK E2602 " --> pdb=" O UNK E2598 " (cutoff:3.500A) Processing helix chain 'E' and resid 2610 through 2618 removed outlier: 3.622A pdb=" N UNK E2617 " --> pdb=" O UNK E2613 " (cutoff:3.500A) removed outlier: 3.820A pdb=" N UNK E2618 " --> pdb=" O UNK E2614 " (cutoff:3.500A) Processing helix chain 'E' and resid 2626 through 2641 removed outlier: 3.943A pdb=" N UNK E2630 " --> pdb=" O UNK E2626 " (cutoff:3.500A) removed outlier: 3.864A pdb=" N UNK E2631 " --> pdb=" O UNK E2627 " (cutoff:3.500A) removed outlier: 3.638A pdb=" N UNK E2634 " --> pdb=" O UNK E2630 " (cutoff:3.500A) removed outlier: 3.540A pdb=" N UNK E2635 " --> pdb=" O UNK E2631 " (cutoff:3.500A) removed outlier: 3.501A pdb=" N UNK E2639 " --> pdb=" O UNK E2635 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N UNK E2641 " --> pdb=" O UNK E2637 " (cutoff:3.500A) Processing helix chain 'E' and resid 2650 through 2666 Processing helix chain 'E' and resid 2677 through 2683 removed outlier: 3.889A pdb=" N UNK E2681 " --> pdb=" O UNK E2677 " (cutoff:3.500A) removed outlier: 4.089A pdb=" N UNK E2683 " --> pdb=" O UNK E2679 " (cutoff:3.500A) Processing helix chain 'E' and resid 2751 through 2773 removed outlier: 3.832A pdb=" N PHE E2768 " --> pdb=" O GLU E2764 " (cutoff:3.500A) removed outlier: 3.722A pdb=" N ASP E2769 " --> pdb=" O LYS E2765 " (cutoff:3.500A) Processing helix chain 'E' and resid 2793 through 2797 removed outlier: 3.516A pdb=" N THR E2796 " --> pdb=" O PRO E2793 " (cutoff:3.500A) removed outlier: 3.594A pdb=" N PHE E2797 " --> pdb=" O TYR E2794 " (cutoff:3.500A) No H-bonds generated for 'chain 'E' and resid 2793 through 2797' Processing helix chain 'E' and resid 2800 through 2804 removed outlier: 3.555A pdb=" N ILE E2804 " --> pdb=" O ASP E2801 " (cutoff:3.500A) Processing helix chain 'E' and resid 2809 through 2820 removed outlier: 3.920A pdb=" N ALA E2815 " --> pdb=" O GLU E2811 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N MET E2816 " --> pdb=" O SER E2812 " (cutoff:3.500A) Processing helix chain 'E' and resid 2868 through 2895 removed outlier: 4.046A pdb=" N MET E2874 " --> pdb=" O GLU E2870 " (cutoff:3.500A) removed outlier: 3.695A pdb=" N ALA E2875 " --> pdb=" O LEU E2871 " (cutoff:3.500A) removed outlier: 3.580A pdb=" N GLU E2876 " --> pdb=" O GLN E2872 " (cutoff:3.500A) removed outlier: 4.012A pdb=" N TRP E2886 " --> pdb=" O TYR E2882 " (cutoff:3.500A) Processing helix chain 'E' and resid 2907 through 2911 Processing helix chain 'E' and resid 2914 through 2932 removed outlier: 3.909A pdb=" N ARG E2920 " --> pdb=" O LYS E2916 " (cutoff:3.500A) removed outlier: 3.531A pdb=" N GLU E2921 " --> pdb=" O ALA E2917 " (cutoff:3.500A) removed outlier: 3.618A pdb=" N LEU E2926 " --> pdb=" O LYS E2922 " (cutoff:3.500A) Processing helix chain 'E' and resid 2933 through 2935 No H-bonds generated for 'chain 'E' and resid 2933 through 2935' Processing helix chain 'E' and resid 2950 through 2976 removed outlier: 4.033A pdb=" N UNK E2956 " --> pdb=" O UNK E2952 " (cutoff:3.500A) removed outlier: 3.600A pdb=" N UNK E2968 " --> pdb=" O UNK E2964 " (cutoff:3.500A) removed outlier: 3.887A pdb=" N UNK E2969 " --> pdb=" O UNK E2965 " (cutoff:3.500A) Processing helix chain 'E' and resid 2995 through 2998 removed outlier: 3.873A pdb=" N UNK E2998 " --> pdb=" O UNK E2995 " (cutoff:3.500A) No H-bonds generated for 'chain 'E' and resid 2995 through 2998' Processing helix chain 'E' and resid 2999 through 3016 removed outlier: 3.586A pdb=" N UNK E3004 " --> pdb=" O UNK E3000 " (cutoff:3.500A) removed outlier: 3.603A pdb=" N UNK E3006 " --> pdb=" O UNK E3002 " (cutoff:3.500A) removed outlier: 3.687A pdb=" N UNK E3009 " --> pdb=" O UNK E3005 " (cutoff:3.500A) removed outlier: 3.707A pdb=" N UNK E3010 " --> pdb=" O UNK E3006 " (cutoff:3.500A) removed outlier: 3.860A pdb=" N UNK E3013 " --> pdb=" O UNK E3009 " (cutoff:3.500A) Processing helix chain 'E' and resid 3017 through 3022 Processing helix chain 'E' and resid 3029 through 3040 removed outlier: 3.611A pdb=" N UNK E3037 " --> pdb=" O UNK E3033 " (cutoff:3.500A) Processing helix chain 'E' and resid 3052 through 3058 removed outlier: 4.052A pdb=" N UNK E3056 " --> pdb=" O UNK E3052 " (cutoff:3.500A) Processing helix chain 'E' and resid 3058 through 3063 removed outlier: 4.203A pdb=" N UNK E3062 " --> pdb=" O UNK E3058 " (cutoff:3.500A) Processing helix chain 'E' and resid 3141 through 3151 removed outlier: 3.802A pdb=" N UNK E3148 " --> pdb=" O UNK E3144 " (cutoff:3.500A) removed outlier: 4.485A pdb=" N UNK E3149 " --> pdb=" O UNK E3145 " (cutoff:3.500A) Processing helix chain 'E' and resid 3151 through 3162 Processing helix chain 'E' and resid 3175 through 3186 removed outlier: 3.621A pdb=" N UNK E3182 " --> pdb=" O UNK E3178 " (cutoff:3.500A) Processing helix chain 'E' and resid 3198 through 3212 removed outlier: 3.568A pdb=" N UNK E3205 " --> pdb=" O UNK E3201 " (cutoff:3.500A) Processing helix chain 'E' and resid 3224 through 3230 removed outlier: 3.786A pdb=" N UNK E3228 " --> pdb=" O UNK E3224 " (cutoff:3.500A) Processing helix chain 'E' and resid 3248 through 3254 removed outlier: 3.544A pdb=" N UNK E3252 " --> pdb=" O UNK E3248 " (cutoff:3.500A) Processing helix chain 'E' and resid 3271 through 3280 Processing helix chain 'E' and resid 3280 through 3285 removed outlier: 3.952A pdb=" N UNK E3284 " --> pdb=" O UNK E3280 " (cutoff:3.500A) Processing helix chain 'E' and resid 3296 through 3301 removed outlier: 3.837A pdb=" N UNK E3301 " --> pdb=" O UNK E3297 " (cutoff:3.500A) Processing helix chain 'E' and resid 3305 through 3310 Processing helix chain 'E' and resid 3316 through 3331 removed outlier: 3.502A pdb=" N UNK E3321 " --> pdb=" O UNK E3317 " (cutoff:3.500A) removed outlier: 3.905A pdb=" N UNK E3323 " --> pdb=" O UNK E3319 " (cutoff:3.500A) removed outlier: 4.657A pdb=" N UNK E3324 " --> pdb=" O UNK E3320 " (cutoff:3.500A) removed outlier: 3.578A pdb=" N UNK E3330 " --> pdb=" O UNK E3326 " (cutoff:3.500A) Processing helix chain 'E' and resid 3344 through 3349 removed outlier: 3.521A pdb=" N UNK E3348 " --> pdb=" O UNK E3344 " (cutoff:3.500A) Processing helix chain 'E' and resid 3361 through 3388 Processing helix chain 'E' and resid 3399 through 3409 removed outlier: 3.511A pdb=" N UNK E3403 " --> pdb=" O UNK E3399 " (cutoff:3.500A) removed outlier: 3.821A pdb=" N UNK E3405 " --> pdb=" O UNK E3401 " (cutoff:3.500A) removed outlier: 3.705A pdb=" N UNK E3407 " --> pdb=" O UNK E3403 " (cutoff:3.500A) removed outlier: 3.882A pdb=" N UNK E3409 " --> pdb=" O UNK E3405 " (cutoff:3.500A) Processing helix chain 'E' and resid 3410 through 3425 removed outlier: 3.969A pdb=" N UNK E3416 " --> pdb=" O UNK E3412 " (cutoff:3.500A) removed outlier: 4.430A pdb=" N UNK E3420 " --> pdb=" O UNK E3416 " (cutoff:3.500A) removed outlier: 3.551A pdb=" N UNK E3421 " --> pdb=" O UNK E3417 " (cutoff:3.500A) Processing helix chain 'E' and resid 3437 through 3443 Processing helix chain 'E' and resid 3445 through 3450 Processing helix chain 'E' and resid 3461 through 3468 removed outlier: 3.562A pdb=" N UNK E3468 " --> pdb=" O UNK E3464 " (cutoff:3.500A) Processing helix chain 'E' and resid 3518 through 3521 removed outlier: 3.502A pdb=" N UNK E3521 " --> pdb=" O UNK E3518 " (cutoff:3.500A) No H-bonds generated for 'chain 'E' and resid 3518 through 3521' Processing helix chain 'E' and resid 3522 through 3529 removed outlier: 3.688A pdb=" N UNK E3529 " --> pdb=" O UNK E3525 " (cutoff:3.500A) Processing helix chain 'E' and resid 3541 through 3547 removed outlier: 3.501A pdb=" N UNK E3547 " --> pdb=" O UNK E3543 " (cutoff:3.500A) Processing helix chain 'E' and resid 3551 through 3560 Processing helix chain 'E' and resid 3574 through 3579 removed outlier: 3.589A pdb=" N UNK E3579 " --> pdb=" O UNK E3575 " (cutoff:3.500A) Processing helix chain 'E' and resid 3589 through 3611 removed outlier: 4.036A pdb=" N UNK E3595 " --> pdb=" O UNK E3591 " (cutoff:3.500A) removed outlier: 3.693A pdb=" N UNK E3598 " --> pdb=" O UNK E3594 " (cutoff:3.500A) removed outlier: 3.908A pdb=" N UNK E3600 " --> pdb=" O UNK E3596 " (cutoff:3.500A) removed outlier: 3.836A pdb=" N UNK E3601 " --> pdb=" O UNK E3597 " (cutoff:3.500A) removed outlier: 3.597A pdb=" N UNK E3610 " --> pdb=" O UNK E3606 " (cutoff:3.500A) removed outlier: 3.848A pdb=" N UNK E3611 " --> pdb=" O UNK E3607 " (cutoff:3.500A) Processing helix chain 'E' and resid 3645 through 3656 removed outlier: 3.796A pdb=" N GLU E3655 " --> pdb=" O ASN E3651 " (cutoff:3.500A) Processing helix chain 'E' and resid 3657 through 3661 Processing helix chain 'E' and resid 3671 through 3680 removed outlier: 3.601A pdb=" N ASP E3676 " --> pdb=" O ARG E3672 " (cutoff:3.500A) removed outlier: 4.015A pdb=" N LEU E3677 " --> pdb=" O MET E3673 " (cutoff:3.500A) removed outlier: 3.836A pdb=" N SER E3678 " --> pdb=" O ILE E3674 " (cutoff:3.500A) Processing helix chain 'E' and resid 3681 through 3683 No H-bonds generated for 'chain 'E' and resid 3681 through 3683' Processing helix chain 'E' and resid 3696 through 3711 removed outlier: 3.596A pdb=" N ALA E3709 " --> pdb=" O PHE E3705 " (cutoff:3.500A) removed outlier: 3.976A pdb=" N THR E3711 " --> pdb=" O ARG E3707 " (cutoff:3.500A) Processing helix chain 'E' and resid 3719 through 3738 removed outlier: 3.691A pdb=" N GLU E3736 " --> pdb=" O SER E3732 " (cutoff:3.500A) Processing helix chain 'E' and resid 3752 through 3770 removed outlier: 3.531A pdb=" N GLU E3757 " --> pdb=" O PHE E3753 " (cutoff:3.500A) removed outlier: 3.695A pdb=" N GLU E3759 " --> pdb=" O GLU E3755 " (cutoff:3.500A) removed outlier: 3.606A pdb=" N LYS E3760 " --> pdb=" O LYS E3756 " (cutoff:3.500A) removed outlier: 3.995A pdb=" N ARG E3762 " --> pdb=" O MET E3758 " (cutoff:3.500A) removed outlier: 4.058A pdb=" N GLN E3767 " --> pdb=" O LEU E3763 " (cutoff:3.500A) removed outlier: 3.996A pdb=" N SER E3768 " --> pdb=" O LEU E3764 " (cutoff:3.500A) Processing helix chain 'E' and resid 3771 through 3784 removed outlier: 4.419A pdb=" N GLU E3777 " --> pdb=" O ARG E3773 " (cutoff:3.500A) removed outlier: 4.012A pdb=" N MET E3778 " --> pdb=" O GLY E3774 " (cutoff:3.500A) removed outlier: 3.672A pdb=" N VAL E3779 " --> pdb=" O ALA E3775 " (cutoff:3.500A) removed outlier: 5.330A pdb=" N LEU E3780 " --> pdb=" O ALA E3776 " (cutoff:3.500A) Processing helix chain 'E' and resid 3791 through 3803 removed outlier: 4.021A pdb=" N LYS E3799 " --> pdb=" O SER E3795 " (cutoff:3.500A) removed outlier: 3.546A pdb=" N LEU E3800 " --> pdb=" O SER E3796 " (cutoff:3.500A) Processing helix chain 'E' and resid 3809 through 3824 Processing helix chain 'E' and resid 3827 through 3838 removed outlier: 3.512A pdb=" N ILE E3832 " --> pdb=" O PHE E3828 " (cutoff:3.500A) Processing helix chain 'E' and resid 3843 through 3856 removed outlier: 3.574A pdb=" N LYS E3852 " --> pdb=" O GLU E3848 " (cutoff:3.500A) Processing helix chain 'E' and resid 3877 through 3890 removed outlier: 4.411A pdb=" N ASP E3883 " --> pdb=" O GLU E3879 " (cutoff:3.500A) removed outlier: 3.618A pdb=" N ARG E3886 " --> pdb=" O GLN E3882 " (cutoff:3.500A) removed outlier: 3.565A pdb=" N PHE E3887 " --> pdb=" O ASP E3883 " (cutoff:3.500A) removed outlier: 3.538A pdb=" N LEU E3888 " --> pdb=" O LEU E3884 " (cutoff:3.500A) Processing helix chain 'E' and resid 3898 through 3903 Processing helix chain 'E' and resid 3914 through 3938 removed outlier: 3.979A pdb=" N CYS E3918 " --> pdb=" O ASN E3914 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N TYR E3934 " --> pdb=" O ILE E3930 " (cutoff:3.500A) removed outlier: 4.433A pdb=" N TRP E3935 " --> pdb=" O SER E3931 " (cutoff:3.500A) removed outlier: 3.905A pdb=" N TYR E3936 " --> pdb=" O ASP E3932 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N TYR E3937 " --> pdb=" O PHE E3933 " (cutoff:3.500A) Processing helix chain 'E' and resid 3944 through 3970 removed outlier: 3.640A pdb=" N LYS E3953 " --> pdb=" O ARG E3949 " (cutoff:3.500A) removed outlier: 4.599A pdb=" N ALA E3954 " --> pdb=" O ASN E3950 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N MET E3955 " --> pdb=" O PHE E3951 " (cutoff:3.500A) removed outlier: 3.712A pdb=" N GLN E3960 " --> pdb=" O SER E3956 " (cutoff:3.500A) removed outlier: 3.583A pdb=" N GLU E3967 " --> pdb=" O ASN E3963 " (cutoff:3.500A) removed outlier: 3.768A pdb=" N TYR E3968 " --> pdb=" O SER E3964 " (cutoff:3.500A) removed outlier: 4.013A pdb=" N ILE E3969 " --> pdb=" O LEU E3965 " (cutoff:3.500A) Processing helix chain 'E' and resid 3973 through 3983 Processing helix chain 'E' and resid 3984 through 4003 removed outlier: 3.689A pdb=" N ALA E3988 " --> pdb=" O ARG E3984 " (cutoff:3.500A) removed outlier: 3.856A pdb=" N GLY E3991 " --> pdb=" O ASP E3987 " (cutoff:3.500A) removed outlier: 3.785A pdb=" N PHE E3992 " --> pdb=" O ALA E3988 " (cutoff:3.500A) removed outlier: 4.158A pdb=" N LEU E3993 " --> pdb=" O VAL E3989 " (cutoff:3.500A) removed outlier: 3.654A pdb=" N HIS E3994 " --> pdb=" O VAL E3990 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N HIS E3998 " --> pdb=" O HIS E3994 " (cutoff:3.500A) removed outlier: 4.151A pdb=" N MET E4000 " --> pdb=" O PHE E3996 " (cutoff:3.500A) Processing helix chain 'E' and resid 4004 through 4008 removed outlier: 5.160A pdb=" N SER E4007 " --> pdb=" O ALA E4004 " (cutoff:3.500A) removed outlier: 6.460A pdb=" N SER E4008 " --> pdb=" O GLN E4005 " (cutoff:3.500A) No H-bonds generated for 'chain 'E' and resid 4004 through 4008' Processing helix chain 'E' and resid 4009 through 4030 removed outlier: 4.100A pdb=" N MET E4026 " --> pdb=" O ASP E4022 " (cutoff:3.500A) removed outlier: 3.502A pdb=" N LEU E4027 " --> pdb=" O MET E4023 " (cutoff:3.500A) Processing helix chain 'E' and resid 4039 through 4051 removed outlier: 3.631A pdb=" N ASP E4046 " --> pdb=" O ARG E4042 " (cutoff:3.500A) removed outlier: 3.753A pdb=" N SER E4051 " --> pdb=" O MET E4047 " (cutoff:3.500A) Processing helix chain 'E' and resid 4051 through 4065 removed outlier: 3.512A pdb=" N PHE E4061 " --> pdb=" O MET E4057 " (cutoff:3.500A) Processing helix chain 'E' and resid 4067 through 4072 Processing helix chain 'E' and resid 4074 through 4081 removed outlier: 3.515A pdb=" N GLN E4078 " --> pdb=" O SER E4074 " (cutoff:3.500A) removed outlier: 4.630A pdb=" N TYR E4080 " --> pdb=" O ALA E4076 " (cutoff:3.500A) removed outlier: 4.167A pdb=" N VAL E4081 " --> pdb=" O PHE E4077 " (cutoff:3.500A) Processing helix chain 'E' and resid 4090 through 4100 removed outlier: 3.756A pdb=" N ASP E4098 " --> pdb=" O GLN E4094 " (cutoff:3.500A) Processing helix chain 'E' and resid 4104 through 4114 Processing helix chain 'E' and resid 4117 through 4122 removed outlier: 3.792A pdb=" N MET E4122 " --> pdb=" O ASP E4118 " (cutoff:3.500A) Processing helix chain 'E' and resid 4125 through 4137 removed outlier: 3.514A pdb=" N ASN E4130 " --> pdb=" O GLU E4126 " (cutoff:3.500A) removed outlier: 4.244A pdb=" N ARG E4131 " --> pdb=" O GLU E4127 " (cutoff:3.500A) removed outlier: 4.277A pdb=" N PHE E4132 " --> pdb=" O PHE E4128 " (cutoff:3.500A) removed outlier: 4.192A pdb=" N GLN E4133 " --> pdb=" O ALA E4129 " (cutoff:3.500A) removed outlier: 3.532A pdb=" N GLU E4134 " --> pdb=" O ASN E4130 " (cutoff:3.500A) Proline residue: E4135 - end of helix Processing helix chain 'E' and resid 4138 through 4154 removed outlier: 3.726A pdb=" N ASN E4142 " --> pdb=" O ASP E4138 " (cutoff:3.500A) removed outlier: 3.583A pdb=" N GLU E4152 " --> pdb=" O THR E4148 " (cutoff:3.500A) removed outlier: 3.820A pdb=" N VAL E4154 " --> pdb=" O LEU E4150 " (cutoff:3.500A) Processing helix chain 'E' and resid 4157 through 4167 Processing helix chain 'E' and resid 4168 through 4174 Processing helix chain 'E' and resid 4198 through 4206 removed outlier: 3.660A pdb=" N ARG E4202 " --> pdb=" O SER E4198 " (cutoff:3.500A) Processing helix chain 'E' and resid 4207 through 4224 removed outlier: 3.970A pdb=" N VAL E4222 " --> pdb=" O ILE E4218 " (cutoff:3.500A) Processing helix chain 'E' and resid 4228 through 4252 removed outlier: 4.079A pdb=" N PHE E4234 " --> pdb=" O LYS E4230 " (cutoff:3.500A) removed outlier: 3.830A pdb=" N PHE E4243 " --> pdb=" O GLU E4239 " (cutoff:3.500A) removed outlier: 3.839A pdb=" N GLN E4250 " --> pdb=" O GLN E4246 " (cutoff:3.500A) removed outlier: 4.093A pdb=" N ILE E4251 " --> pdb=" O ILE E4247 " (cutoff:3.500A) removed outlier: 3.735A pdb=" N SER E4252 " --> pdb=" O ALA E4248 " (cutoff:3.500A) Processing helix chain 'E' and resid 4542 through 4558 removed outlier: 3.953A pdb=" N TYR E4554 " --> pdb=" O LYS E4550 " (cutoff:3.500A) removed outlier: 3.877A pdb=" N ASN E4558 " --> pdb=" O TYR E4554 " (cutoff:3.500A) Processing helix chain 'E' and resid 4558 through 4576 removed outlier: 3.973A pdb=" N PHE E4571 " --> pdb=" O LEU E4567 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N ALA E4572 " --> pdb=" O PHE E4568 " (cutoff:3.500A) removed outlier: 3.509A pdb=" N ILE E4573 " --> pdb=" O LEU E4569 " (cutoff:3.500A) Processing helix chain 'E' and resid 4577 through 4579 No H-bonds generated for 'chain 'E' and resid 4577 through 4579' Processing helix chain 'E' and resid 4641 through 4665 removed outlier: 3.540A pdb=" N THR E4651 " --> pdb=" O SER E4647 " (cutoff:3.500A) removed outlier: 3.548A pdb=" N ALA E4654 " --> pdb=" O HIS E4650 " (cutoff:3.500A) removed outlier: 3.557A pdb=" N PHE E4655 " --> pdb=" O THR E4651 " (cutoff:3.500A) removed outlier: 3.986A pdb=" N ILE E4659 " --> pdb=" O PHE E4655 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N GLY E4660 " --> pdb=" O LEU E4656 " (cutoff:3.500A) Processing helix chain 'E' and resid 4667 through 4683 removed outlier: 3.768A pdb=" N ALA E4678 " --> pdb=" O GLU E4674 " (cutoff:3.500A) Processing helix chain 'E' and resid 4697 through 4702 Processing helix chain 'E' and resid 4703 through 4708 removed outlier: 3.574A pdb=" N LEU E4706 " --> pdb=" O ARG E4703 " (cutoff:3.500A) removed outlier: 4.473A pdb=" N ASN E4707 " --> pdb=" O LEU E4704 " (cutoff:3.500A) Processing helix chain 'E' and resid 4719 through 4728 Processing helix chain 'E' and resid 4733 through 4741 Processing helix chain 'E' and resid 4748 through 4753 removed outlier: 3.531A pdb=" N ALA E4752 " --> pdb=" O LEU E4748 " (cutoff:3.500A) Processing helix chain 'E' and resid 4772 through 4786 removed outlier: 3.797A pdb=" N PHE E4780 " --> pdb=" O GLN E4776 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N GLY E4781 " --> pdb=" O ILE E4777 " (cutoff:3.500A) Processing helix chain 'E' and resid 4786 through 4803 removed outlier: 3.606A pdb=" N VAL E4797 " --> pdb=" O GLY E4793 " (cutoff:3.500A) removed outlier: 4.194A pdb=" N MET E4798 " --> pdb=" O TRP E4794 " (cutoff:3.500A) removed outlier: 4.299A pdb=" N SER E4799 " --> pdb=" O TYR E4795 " (cutoff:3.500A) removed outlier: 3.659A pdb=" N LEU E4800 " --> pdb=" O MET E4796 " (cutoff:3.500A) removed outlier: 3.603A pdb=" N HIS E4803 " --> pdb=" O SER E4799 " (cutoff:3.500A) Processing helix chain 'E' and resid 4812 through 4819 removed outlier: 3.717A pdb=" N ILE E4816 " --> pdb=" O HIS E4812 " (cutoff:3.500A) Processing helix chain 'E' and resid 4820 through 4833 removed outlier: 4.064A pdb=" N ILE E4826 " --> pdb=" O THR E4822 " (cutoff:3.500A) removed outlier: 3.919A pdb=" N ASN E4833 " --> pdb=" O SER E4829 " (cutoff:3.500A) Processing helix chain 'E' and resid 4833 through 4858 removed outlier: 3.589A pdb=" N VAL E4838 " --> pdb=" O GLY E4834 " (cutoff:3.500A) removed outlier: 4.753A pdb=" N MET E4839 " --> pdb=" O LYS E4835 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N LEU E4844 " --> pdb=" O THR E4840 " (cutoff:3.500A) removed outlier: 3.643A pdb=" N ALA E4845 " --> pdb=" O VAL E4841 " (cutoff:3.500A) removed outlier: 3.742A pdb=" N VAL E4848 " --> pdb=" O LEU E4844 " (cutoff:3.500A) removed outlier: 3.675A pdb=" N VAL E4853 " --> pdb=" O TYR E4849 " (cutoff:3.500A) removed outlier: 3.788A pdb=" N VAL E4854 " --> pdb=" O LEU E4850 " (cutoff:3.500A) removed outlier: 4.376A pdb=" N ALA E4855 " --> pdb=" O TYR E4851 " (cutoff:3.500A) Processing helix chain 'E' and resid 4859 through 4863 removed outlier: 3.764A pdb=" N PHE E4862 " --> pdb=" O PHE E4859 " (cutoff:3.500A) removed outlier: 3.908A pdb=" N TYR E4863 " --> pdb=" O ARG E4860 " (cutoff:3.500A) No H-bonds generated for 'chain 'E' and resid 4859 through 4863' Processing helix chain 'E' and resid 4878 through 4889 removed outlier: 3.800A pdb=" N PHE E4885 " --> pdb=" O THR E4881 " (cutoff:3.500A) removed outlier: 3.567A pdb=" N HIS E4886 " --> pdb=" O CYS E4882 " (cutoff:3.500A) Processing helix chain 'E' and resid 4896 through 4900 removed outlier: 3.934A pdb=" N ASP E4899 " --> pdb=" O GLY E4896 " (cutoff:3.500A) removed outlier: 3.606A pdb=" N GLU E4900 " --> pdb=" O ILE E4897 " (cutoff:3.500A) No H-bonds generated for 'chain 'E' and resid 4896 through 4900' Processing helix chain 'E' and resid 4912 through 4922 removed outlier: 3.904A pdb=" N ILE E4918 " --> pdb=" O VAL E4914 " (cutoff:3.500A) Processing helix chain 'E' and resid 4926 through 4957 removed outlier: 3.708A pdb=" N ILE E4936 " --> pdb=" O ILE E4932 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N ILE E4937 " --> pdb=" O GLN E4933 " (cutoff:3.500A) removed outlier: 3.543A pdb=" N VAL E4950 " --> pdb=" O GLN E4946 " (cutoff:3.500A) removed outlier: 3.722A pdb=" N LYS E4951 " --> pdb=" O GLN E4947 " (cutoff:3.500A) removed outlier: 3.897A pdb=" N GLU E4952 " --> pdb=" O GLU E4948 " (cutoff:3.500A) removed outlier: 3.709A pdb=" N ASP E4953 " --> pdb=" O GLN E4949 " (cutoff:3.500A) removed outlier: 3.821A pdb=" N MET E4954 " --> pdb=" O VAL E4950 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N GLU E4955 " --> pdb=" O LYS E4951 " (cutoff:3.500A) Processing helix chain 'E' and resid 4964 through 4969 removed outlier: 4.007A pdb=" N TYR E4967 " --> pdb=" O GLY E4964 " (cutoff:3.500A) Processing helix chain 'E' and resid 4973 through 4981 Processing helix chain 'E' and resid 4986 through 4997 removed outlier: 3.570A pdb=" N PHE E4990 " --> pdb=" O ALA E4986 " (cutoff:3.500A) Processing helix chain 'E' and resid 5006 through 5017 removed outlier: 3.515A pdb=" N MET E5013 " --> pdb=" O TYR E5009 " (cutoff:3.500A) Processing helix chain 'F' and resid 38 through 43 Processing helix chain 'F' and resid 56 through 65 removed outlier: 3.961A pdb=" N GLY F 62 " --> pdb=" O GLY F 58 " (cutoff:3.500A) removed outlier: 3.560A pdb=" N ALA F 63 " --> pdb=" O PHE F 59 " (cutoff:3.500A) removed outlier: 3.639A pdb=" N ALA F 64 " --> pdb=" O GLU F 60 " (cutoff:3.500A) removed outlier: 3.624A pdb=" N GLN F 65 " --> pdb=" O GLU F 61 " (cutoff:3.500A) Processing helix chain 'F' and resid 77 through 81 removed outlier: 3.772A pdb=" N VAL F 80 " --> pdb=" O THR F 77 " (cutoff:3.500A) Processing helix chain 'G' and resid 74 through 83 Processing helix chain 'G' and resid 251 through 255 Processing helix chain 'G' and resid 395 through 412 removed outlier: 3.928A pdb=" N ARG G 402 " --> pdb=" O SER G 398 " (cutoff:3.500A) removed outlier: 3.557A pdb=" N MET G 403 " --> pdb=" O GLN G 399 " (cutoff:3.500A) Processing helix chain 'G' and resid 414 through 419 Processing helix chain 'G' and resid 438 through 450 removed outlier: 3.653A pdb=" N GLY G 450 " --> pdb=" O GLN G 446 " (cutoff:3.500A) Processing helix chain 'G' and resid 460 through 478 removed outlier: 3.565A pdb=" N GLN G 465 " --> pdb=" O HIS G 461 " (cutoff:3.500A) removed outlier: 3.842A pdb=" N SER G 466 " --> pdb=" O GLU G 462 " (cutoff:3.500A) removed outlier: 3.949A pdb=" N PHE G 478 " --> pdb=" O ARG G 474 " (cutoff:3.500A) Processing helix chain 'G' and resid 484 through 494 Processing helix chain 'G' and resid 512 through 531 removed outlier: 4.215A pdb=" N LYS G 516 " --> pdb=" O ALA G 512 " (cutoff:3.500A) removed outlier: 4.467A pdb=" N GLU G 517 " --> pdb=" O GLU G 513 " (cutoff:3.500A) removed outlier: 3.776A pdb=" N TYR G 523 " --> pdb=" O VAL G 519 " (cutoff:3.500A) removed outlier: 3.630A pdb=" N GLU G 524 " --> pdb=" O ASN G 520 " (cutoff:3.500A) removed outlier: 3.936A pdb=" N SER G 528 " --> pdb=" O GLU G 524 " (cutoff:3.500A) removed outlier: 4.054A pdb=" N LEU G 529 " --> pdb=" O LEU G 525 " (cutoff:3.500A) removed outlier: 3.555A pdb=" N ILE G 530 " --> pdb=" O LEU G 526 " (cutoff:3.500A) Processing helix chain 'G' and resid 538 through 542 removed outlier: 3.633A pdb=" N SER G 541 " --> pdb=" O ALA G 538 " (cutoff:3.500A) removed outlier: 4.103A pdb=" N THR G 542 " --> pdb=" O LEU G 539 " (cutoff:3.500A) No H-bonds generated for 'chain 'G' and resid 538 through 542' Processing helix chain 'G' and resid 543 through 548 removed outlier: 3.745A pdb=" N VAL G 548 " --> pdb=" O LEU G 544 " (cutoff:3.500A) Processing helix chain 'G' and resid 559 through 571 removed outlier: 3.867A pdb=" N TYR G 565 " --> pdb=" O LEU G 561 " (cutoff:3.500A) removed outlier: 4.271A pdb=" N GLU G 570 " --> pdb=" O CYS G 566 " (cutoff:3.500A) removed outlier: 3.774A pdb=" N SER G 571 " --> pdb=" O VAL G 567 " (cutoff:3.500A) Processing helix chain 'G' and resid 571 through 577 removed outlier: 3.847A pdb=" N LEU G 575 " --> pdb=" O SER G 571 " (cutoff:3.500A) Processing helix chain 'G' and resid 580 through 593 Processing helix chain 'G' and resid 596 through 608 removed outlier: 3.989A pdb=" N LEU G 600 " --> pdb=" O ASN G 596 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N LEU G 603 " --> pdb=" O VAL G 599 " (cutoff:3.500A) removed outlier: 3.566A pdb=" N CYS G 607 " --> pdb=" O LEU G 603 " (cutoff:3.500A) removed outlier: 4.275A pdb=" N VAL G 608 " --> pdb=" O CYS G 604 " (cutoff:3.500A) Processing helix chain 'G' and resid 614 through 625 removed outlier: 3.942A pdb=" N GLN G 618 " --> pdb=" O VAL G 614 " (cutoff:3.500A) removed outlier: 3.580A pdb=" N ASP G 619 " --> pdb=" O ARG G 615 " (cutoff:3.500A) removed outlier: 3.610A pdb=" N ILE G 621 " --> pdb=" O ASN G 617 " (cutoff:3.500A) removed outlier: 3.625A pdb=" N THR G 622 " --> pdb=" O GLN G 618 " (cutoff:3.500A) Processing helix chain 'G' and resid 864 through 889 removed outlier: 3.550A pdb=" N ILE G 870 " --> pdb=" O HIS G 866 " (cutoff:3.500A) removed outlier: 3.856A pdb=" N GLU G 872 " --> pdb=" O GLU G 868 " (cutoff:3.500A) removed outlier: 4.022A pdb=" N LYS G 873 " --> pdb=" O ARG G 869 " (cutoff:3.500A) removed outlier: 3.726A pdb=" N HIS G 879 " --> pdb=" O ALA G 875 " (cutoff:3.500A) removed outlier: 3.708A pdb=" N ARG G 886 " --> pdb=" O TRP G 882 " (cutoff:3.500A) removed outlier: 3.617A pdb=" N ILE G 887 " --> pdb=" O ALA G 883 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N GLN G 889 " --> pdb=" O THR G 885 " (cutoff:3.500A) Processing helix chain 'G' and resid 914 through 932 removed outlier: 3.612A pdb=" N ASN G 919 " --> pdb=" O GLU G 915 " (cutoff:3.500A) removed outlier: 3.559A pdb=" N GLN G 923 " --> pdb=" O ASN G 919 " (cutoff:3.500A) removed outlier: 3.613A pdb=" N LEU G 932 " --> pdb=" O THR G 928 " (cutoff:3.500A) Processing helix chain 'G' and resid 933 through 936 removed outlier: 3.948A pdb=" N GLY G 936 " --> pdb=" O LEU G 933 " (cutoff:3.500A) No H-bonds generated for 'chain 'G' and resid 933 through 936' Processing helix chain 'G' and resid 980 through 1001 removed outlier: 3.708A pdb=" N LEU G 984 " --> pdb=" O ALA G 980 " (cutoff:3.500A) removed outlier: 3.565A pdb=" N ASP G 986 " --> pdb=" O THR G 982 " (cutoff:3.500A) removed outlier: 3.662A pdb=" N ALA G 989 " --> pdb=" O VAL G 985 " (cutoff:3.500A) removed outlier: 3.812A pdb=" N ASN G 994 " --> pdb=" O GLU G 990 " (cutoff:3.500A) Processing helix chain 'G' and resid 1028 through 1049 removed outlier: 4.452A pdb=" N GLN G1041 " --> pdb=" O ASP G1037 " (cutoff:3.500A) removed outlier: 4.865A pdb=" N ALA G1042 " --> pdb=" O SER G1038 " (cutoff:3.500A) removed outlier: 3.898A pdb=" N VAL G1043 " --> pdb=" O LEU G1039 " (cutoff:3.500A) removed outlier: 4.278A pdb=" N ARG G1044 " --> pdb=" O CYS G1040 " (cutoff:3.500A) removed outlier: 4.176A pdb=" N THR G1045 " --> pdb=" O GLN G1041 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N LEU G1046 " --> pdb=" O ALA G1042 " (cutoff:3.500A) Processing helix chain 'G' and resid 1078 through 1082 Processing helix chain 'G' and resid 1576 through 1581 removed outlier: 3.613A pdb=" N PHE G1580 " --> pdb=" O SER G1576 " (cutoff:3.500A) removed outlier: 4.218A pdb=" N LEU G1581 " --> pdb=" O ALA G1577 " (cutoff:3.500A) No H-bonds generated for 'chain 'G' and resid 1576 through 1581' Processing helix chain 'G' and resid 1623 through 1627 Processing helix chain 'G' and resid 1652 through 1657 removed outlier: 3.511A pdb=" N ARG G1656 " --> pdb=" O GLU G1652 " (cutoff:3.500A) Processing helix chain 'G' and resid 1658 through 1674 removed outlier: 3.782A pdb=" N TYR G1670 " --> pdb=" O THR G1666 " (cutoff:3.500A) removed outlier: 4.556A pdb=" N ARG G1671 " --> pdb=" O LEU G1667 " (cutoff:3.500A) Processing helix chain 'G' and resid 1678 through 1686 removed outlier: 3.636A pdb=" N ALA G1684 " --> pdb=" O ARG G1680 " (cutoff:3.500A) removed outlier: 4.156A pdb=" N CYS G1686 " --> pdb=" O ALA G1682 " (cutoff:3.500A) Processing helix chain 'G' and resid 1692 through 1700 removed outlier: 3.882A pdb=" N LEU G1698 " --> pdb=" O LEU G1694 " (cutoff:3.500A) removed outlier: 3.662A pdb=" N GLU G1699 " --> pdb=" O LEU G1695 " (cutoff:3.500A) removed outlier: 3.611A pdb=" N ASP G1700 " --> pdb=" O HIS G1696 " (cutoff:3.500A) Processing helix chain 'G' and resid 1707 through 1709 No H-bonds generated for 'chain 'G' and resid 1707 through 1709' Processing helix chain 'G' and resid 1710 through 1718 removed outlier: 4.376A pdb=" N LEU G1714 " --> pdb=" O GLY G1710 " (cutoff:3.500A) removed outlier: 4.634A pdb=" N ILE G1716 " --> pdb=" O TYR G1712 " (cutoff:3.500A) Processing helix chain 'G' and resid 1723 through 1730 Processing helix chain 'G' and resid 1739 through 1744 Processing helix chain 'G' and resid 1753 through 1758 removed outlier: 4.251A pdb=" N ALA G1757 " --> pdb=" O LYS G1753 " (cutoff:3.500A) Processing helix chain 'G' and resid 1804 through 1823 removed outlier: 3.615A pdb=" N GLY G1823 " --> pdb=" O VAL G1819 " (cutoff:3.500A) Processing helix chain 'G' and resid 1833 through 1838 Processing helix chain 'G' and resid 1840 through 1851 Processing helix chain 'G' and resid 1855 through 1863 Processing helix chain 'G' and resid 1866 through 1871 Processing helix chain 'G' and resid 1925 through 1929 removed outlier: 3.658A pdb=" N GLN G1928 " --> pdb=" O GLY G1925 " (cutoff:3.500A) removed outlier: 3.674A pdb=" N MET G1929 " --> pdb=" O LEU G1926 " (cutoff:3.500A) No H-bonds generated for 'chain 'G' and resid 1925 through 1929' Processing helix chain 'G' and resid 1933 through 1982 removed outlier: 3.765A pdb=" N TYR G1945 " --> pdb=" O ASN G1941 " (cutoff:3.500A) removed outlier: 3.879A pdb=" N PHE G1946 " --> pdb=" O LEU G1942 " (cutoff:3.500A) removed outlier: 3.615A pdb=" N CYS G1947 " --> pdb=" O LEU G1943 " (cutoff:3.500A) removed outlier: 3.765A pdb=" N GLU G1963 " --> pdb=" O ALA G1959 " (cutoff:3.500A) removed outlier: 3.778A pdb=" N ARG G1964 " --> pdb=" O ALA G1960 " (cutoff:3.500A) removed outlier: 3.514A pdb=" N TYR G1965 " --> pdb=" O PHE G1961 " (cutoff:3.500A) removed outlier: 3.816A pdb=" N VAL G1966 " --> pdb=" O ALA G1962 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N ASP G1967 " --> pdb=" O GLU G1963 " (cutoff:3.500A) removed outlier: 3.810A pdb=" N LYS G1968 " --> pdb=" O ARG G1964 " (cutoff:3.500A) removed outlier: 3.562A pdb=" N ALA G1978 " --> pdb=" O ARG G1974 " (cutoff:3.500A) Processing helix chain 'G' and resid 1989 through 1994 removed outlier: 3.889A pdb=" N ARG G1993 " --> pdb=" O ALA G1989 " (cutoff:3.500A) removed outlier: 3.923A pdb=" N ARG G1994 " --> pdb=" O GLU G1990 " (cutoff:3.500A) No H-bonds generated for 'chain 'G' and resid 1989 through 1994' Processing helix chain 'G' and resid 1994 through 1999 Processing helix chain 'G' and resid 2001 through 2011 removed outlier: 3.675A pdb=" N ILE G2006 " --> pdb=" O PRO G2002 " (cutoff:3.500A) removed outlier: 4.003A pdb=" N ASN G2007 " --> pdb=" O GLN G2003 " (cutoff:3.500A) removed outlier: 4.399A pdb=" N HIS G2011 " --> pdb=" O ASN G2007 " (cutoff:3.500A) Processing helix chain 'G' and resid 2026 through 2042 removed outlier: 3.705A pdb=" N ASP G2030 " --> pdb=" O ASP G2026 " (cutoff:3.500A) removed outlier: 4.179A pdb=" N LEU G2031 " --> pdb=" O ILE G2027 " (cutoff:3.500A) removed outlier: 3.879A pdb=" N GLN G2032 " --> pdb=" O ARG G2028 " (cutoff:3.500A) Processing helix chain 'G' and resid 2094 through 2107 removed outlier: 3.609A pdb=" N HIS G2100 " --> pdb=" O GLU G2096 " (cutoff:3.500A) removed outlier: 3.823A pdb=" N VAL G2103 " --> pdb=" O SER G2099 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N TRP G2105 " --> pdb=" O MET G2101 " (cutoff:3.500A) Processing helix chain 'G' and resid 2113 through 2129 removed outlier: 3.669A pdb=" N VAL G2117 " --> pdb=" O SER G2113 " (cutoff:3.500A) removed outlier: 3.571A pdb=" N TYR G2128 " --> pdb=" O LEU G2124 " (cutoff:3.500A) Processing helix chain 'G' and resid 2129 through 2138 Processing helix chain 'G' and resid 2148 through 2165 removed outlier: 3.663A pdb=" N CYS G2158 " --> pdb=" O SER G2154 " (cutoff:3.500A) Processing helix chain 'G' and resid 2171 through 2187 removed outlier: 3.682A pdb=" N LEU G2177 " --> pdb=" O GLN G2173 " (cutoff:3.500A) Processing helix chain 'G' and resid 2189 through 2194 Processing helix chain 'G' and resid 2194 through 2201 removed outlier: 3.686A pdb=" N MET G2198 " --> pdb=" O HIS G2194 " (cutoff:3.500A) Processing helix chain 'G' and resid 2202 through 2216 removed outlier: 3.840A pdb=" N VAL G2210 " --> pdb=" O THR G2206 " (cutoff:3.500A) removed outlier: 3.628A pdb=" N ASN G2213 " --> pdb=" O GLU G2209 " (cutoff:3.500A) Processing helix chain 'G' and resid 2227 through 2242 removed outlier: 3.707A pdb=" N CYS G2233 " --> pdb=" O VAL G2229 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N TYR G2238 " --> pdb=" O ARG G2234 " (cutoff:3.500A) Processing helix chain 'G' and resid 2245 through 2252 removed outlier: 3.635A pdb=" N ASP G2252 " --> pdb=" O ARG G2248 " (cutoff:3.500A) Processing helix chain 'G' and resid 2253 through 2262 removed outlier: 4.110A pdb=" N ASN G2260 " --> pdb=" O TYR G2256 " (cutoff:3.500A) Processing helix chain 'G' and resid 2271 through 2279 removed outlier: 3.530A pdb=" N ALA G2276 " --> pdb=" O PRO G2272 " (cutoff:3.500A) removed outlier: 3.549A pdb=" N SER G2279 " --> pdb=" O VAL G2275 " (cutoff:3.500A) Processing helix chain 'G' and resid 2294 through 2306 removed outlier: 3.528A pdb=" N VAL G2298 " --> pdb=" O ASP G2294 " (cutoff:3.500A) removed outlier: 3.632A pdb=" N VAL G2299 " --> pdb=" O LEU G2295 " (cutoff:3.500A) Processing helix chain 'G' and resid 2310 through 2315 removed outlier: 4.055A pdb=" N ALA G2315 " --> pdb=" O PRO G2311 " (cutoff:3.500A) Processing helix chain 'G' and resid 2326 through 2331 removed outlier: 3.581A pdb=" N TYR G2331 " --> pdb=" O GLY G2327 " (cutoff:3.500A) Processing helix chain 'G' and resid 2346 through 2355 removed outlier: 3.907A pdb=" N ALA G2350 " --> pdb=" O VAL G2346 " (cutoff:3.500A) removed outlier: 5.000A pdb=" N VAL G2352 " --> pdb=" O GLU G2348 " (cutoff:3.500A) removed outlier: 3.991A pdb=" N VAL G2353 " --> pdb=" O ASN G2349 " (cutoff:3.500A) Processing helix chain 'G' and resid 2360 through 2364 Processing helix chain 'G' and resid 2375 through 2388 removed outlier: 3.544A pdb=" N ARG G2385 " --> pdb=" O GLU G2381 " (cutoff:3.500A) Processing helix chain 'G' and resid 2389 through 2393 Processing helix chain 'G' and resid 2418 through 2434 removed outlier: 3.766A pdb=" N MET G2423 " --> pdb=" O GLY G2419 " (cutoff:3.500A) removed outlier: 3.736A pdb=" N ALA G2428 " --> pdb=" O SER G2424 " (cutoff:3.500A) Processing helix chain 'G' and resid 2440 through 2445 Processing helix chain 'G' and resid 2448 through 2461 removed outlier: 3.681A pdb=" N ILE G2453 " --> pdb=" O GLU G2449 " (cutoff:3.500A) Processing helix chain 'G' and resid 2466 through 2471 removed outlier: 3.613A pdb=" N ILE G2470 " --> pdb=" O LEU G2466 " (cutoff:3.500A) Processing helix chain 'G' and resid 2502 through 2507 removed outlier: 3.872A pdb=" N UNK G2506 " --> pdb=" O UNK G2502 " (cutoff:3.500A) Processing helix chain 'G' and resid 2516 through 2525 removed outlier: 3.746A pdb=" N UNK G2523 " --> pdb=" O UNK G2519 " (cutoff:3.500A) Processing helix chain 'G' and resid 2525 through 2530 Processing helix chain 'G' and resid 2542 through 2548 removed outlier: 3.651A pdb=" N UNK G2546 " --> pdb=" O UNK G2542 " (cutoff:3.500A) Processing helix chain 'G' and resid 2551 through 2557 removed outlier: 3.806A pdb=" N UNK G2555 " --> pdb=" O UNK G2551 " (cutoff:3.500A) Processing helix chain 'G' and resid 2567 through 2581 removed outlier: 3.511A pdb=" N UNK G2578 " --> pdb=" O UNK G2574 " (cutoff:3.500A) Processing helix chain 'G' and resid 2587 through 2602 removed outlier: 3.531A pdb=" N UNK G2597 " --> pdb=" O UNK G2593 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N UNK G2602 " --> pdb=" O UNK G2598 " (cutoff:3.500A) Processing helix chain 'G' and resid 2610 through 2618 removed outlier: 3.609A pdb=" N UNK G2617 " --> pdb=" O UNK G2613 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N UNK G2618 " --> pdb=" O UNK G2614 " (cutoff:3.500A) Processing helix chain 'G' and resid 2626 through 2641 removed outlier: 3.916A pdb=" N UNK G2630 " --> pdb=" O UNK G2626 " (cutoff:3.500A) removed outlier: 3.879A pdb=" N UNK G2631 " --> pdb=" O UNK G2627 " (cutoff:3.500A) removed outlier: 3.593A pdb=" N UNK G2634 " --> pdb=" O UNK G2630 " (cutoff:3.500A) removed outlier: 3.555A pdb=" N UNK G2635 " --> pdb=" O UNK G2631 " (cutoff:3.500A) removed outlier: 3.537A pdb=" N UNK G2639 " --> pdb=" O UNK G2635 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N UNK G2641 " --> pdb=" O UNK G2637 " (cutoff:3.500A) Processing helix chain 'G' and resid 2650 through 2666 Processing helix chain 'G' and resid 2677 through 2683 removed outlier: 3.948A pdb=" N UNK G2681 " --> pdb=" O UNK G2677 " (cutoff:3.500A) removed outlier: 4.171A pdb=" N UNK G2683 " --> pdb=" O UNK G2679 " (cutoff:3.500A) Processing helix chain 'G' and resid 2751 through 2773 removed outlier: 3.832A pdb=" N PHE G2768 " --> pdb=" O GLU G2764 " (cutoff:3.500A) removed outlier: 3.722A pdb=" N ASP G2769 " --> pdb=" O LYS G2765 " (cutoff:3.500A) Processing helix chain 'G' and resid 2793 through 2797 removed outlier: 3.515A pdb=" N THR G2796 " --> pdb=" O PRO G2793 " (cutoff:3.500A) removed outlier: 3.596A pdb=" N PHE G2797 " --> pdb=" O TYR G2794 " (cutoff:3.500A) No H-bonds generated for 'chain 'G' and resid 2793 through 2797' Processing helix chain 'G' and resid 2800 through 2804 removed outlier: 3.555A pdb=" N ILE G2804 " --> pdb=" O ASP G2801 " (cutoff:3.500A) Processing helix chain 'G' and resid 2809 through 2820 removed outlier: 3.920A pdb=" N ALA G2815 " --> pdb=" O GLU G2811 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N MET G2816 " --> pdb=" O SER G2812 " (cutoff:3.500A) Processing helix chain 'G' and resid 2868 through 2895 removed outlier: 4.048A pdb=" N MET G2874 " --> pdb=" O GLU G2870 " (cutoff:3.500A) removed outlier: 3.695A pdb=" N ALA G2875 " --> pdb=" O LEU G2871 " (cutoff:3.500A) removed outlier: 3.578A pdb=" N GLU G2876 " --> pdb=" O GLN G2872 " (cutoff:3.500A) removed outlier: 4.011A pdb=" N TRP G2886 " --> pdb=" O TYR G2882 " (cutoff:3.500A) Processing helix chain 'G' and resid 2907 through 2911 Processing helix chain 'G' and resid 2914 through 2932 removed outlier: 3.908A pdb=" N ARG G2920 " --> pdb=" O LYS G2916 " (cutoff:3.500A) removed outlier: 3.531A pdb=" N GLU G2921 " --> pdb=" O ALA G2917 " (cutoff:3.500A) removed outlier: 3.618A pdb=" N LEU G2926 " --> pdb=" O LYS G2922 " (cutoff:3.500A) Processing helix chain 'G' and resid 2933 through 2935 No H-bonds generated for 'chain 'G' and resid 2933 through 2935' Processing helix chain 'G' and resid 2950 through 2976 removed outlier: 4.117A pdb=" N UNK G2956 " --> pdb=" O UNK G2952 " (cutoff:3.500A) removed outlier: 3.561A pdb=" N UNK G2968 " --> pdb=" O UNK G2964 " (cutoff:3.500A) removed outlier: 3.840A pdb=" N UNK G2969 " --> pdb=" O UNK G2965 " (cutoff:3.500A) Processing helix chain 'G' and resid 2995 through 2998 removed outlier: 3.919A pdb=" N UNK G2998 " --> pdb=" O UNK G2995 " (cutoff:3.500A) No H-bonds generated for 'chain 'G' and resid 2995 through 2998' Processing helix chain 'G' and resid 2999 through 3016 removed outlier: 3.562A pdb=" N UNK G3004 " --> pdb=" O UNK G3000 " (cutoff:3.500A) removed outlier: 3.610A pdb=" N UNK G3006 " --> pdb=" O UNK G3002 " (cutoff:3.500A) removed outlier: 3.695A pdb=" N UNK G3009 " --> pdb=" O UNK G3005 " (cutoff:3.500A) removed outlier: 3.732A pdb=" N UNK G3010 " --> pdb=" O UNK G3006 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N UNK G3013 " --> pdb=" O UNK G3009 " (cutoff:3.500A) Processing helix chain 'G' and resid 3017 through 3022 Processing helix chain 'G' and resid 3029 through 3040 removed outlier: 3.626A pdb=" N UNK G3037 " --> pdb=" O UNK G3033 " (cutoff:3.500A) removed outlier: 3.501A pdb=" N UNK G3040 " --> pdb=" O UNK G3036 " (cutoff:3.500A) Processing helix chain 'G' and resid 3052 through 3063 removed outlier: 4.151A pdb=" N UNK G3056 " --> pdb=" O UNK G3052 " (cutoff:3.500A) removed outlier: 4.536A pdb=" N UNK G3061 " --> pdb=" O UNK G3057 " (cutoff:3.500A) removed outlier: 4.169A pdb=" N UNK G3062 " --> pdb=" O UNK G3058 " (cutoff:3.500A) Processing helix chain 'G' and resid 3141 through 3146 Processing helix chain 'G' and resid 3146 through 3162 removed outlier: 4.049A pdb=" N UNK G3154 " --> pdb=" O UNK G3150 " (cutoff:3.500A) Processing helix chain 'G' and resid 3175 through 3186 removed outlier: 3.687A pdb=" N UNK G3182 " --> pdb=" O UNK G3178 " (cutoff:3.500A) Processing helix chain 'G' and resid 3198 through 3212 removed outlier: 3.581A pdb=" N UNK G3205 " --> pdb=" O UNK G3201 " (cutoff:3.500A) Processing helix chain 'G' and resid 3224 through 3230 removed outlier: 3.796A pdb=" N UNK G3228 " --> pdb=" O UNK G3224 " (cutoff:3.500A) Processing helix chain 'G' and resid 3248 through 3254 removed outlier: 3.551A pdb=" N UNK G3252 " --> pdb=" O UNK G3248 " (cutoff:3.500A) Processing helix chain 'G' and resid 3271 through 3280 Processing helix chain 'G' and resid 3280 through 3285 removed outlier: 3.953A pdb=" N UNK G3284 " --> pdb=" O UNK G3280 " (cutoff:3.500A) Processing helix chain 'G' and resid 3305 through 3310 Processing helix chain 'G' and resid 3315 through 3331 removed outlier: 4.069A pdb=" N UNK G3319 " --> pdb=" O UNK G3315 " (cutoff:3.500A) removed outlier: 3.911A pdb=" N UNK G3323 " --> pdb=" O UNK G3319 " (cutoff:3.500A) removed outlier: 4.664A pdb=" N UNK G3324 " --> pdb=" O UNK G3320 " (cutoff:3.500A) removed outlier: 3.573A pdb=" N UNK G3330 " --> pdb=" O UNK G3326 " (cutoff:3.500A) Processing helix chain 'G' and resid 3344 through 3349 Processing helix chain 'G' and resid 3361 through 3388 Processing helix chain 'G' and resid 3399 through 3409 removed outlier: 3.849A pdb=" N UNK G3405 " --> pdb=" O UNK G3401 " (cutoff:3.500A) removed outlier: 3.697A pdb=" N UNK G3407 " --> pdb=" O UNK G3403 " (cutoff:3.500A) removed outlier: 3.881A pdb=" N UNK G3409 " --> pdb=" O UNK G3405 " (cutoff:3.500A) Processing helix chain 'G' and resid 3410 through 3425 removed outlier: 3.925A pdb=" N UNK G3416 " --> pdb=" O UNK G3412 " (cutoff:3.500A) removed outlier: 4.559A pdb=" N UNK G3420 " --> pdb=" O UNK G3416 " (cutoff:3.500A) removed outlier: 3.560A pdb=" N UNK G3421 " --> pdb=" O UNK G3417 " (cutoff:3.500A) Processing helix chain 'G' and resid 3437 through 3443 Processing helix chain 'G' and resid 3445 through 3450 Processing helix chain 'G' and resid 3461 through 3468 removed outlier: 3.533A pdb=" N UNK G3468 " --> pdb=" O UNK G3464 " (cutoff:3.500A) Processing helix chain 'G' and resid 3518 through 3521 Processing helix chain 'G' and resid 3522 through 3529 removed outlier: 3.674A pdb=" N UNK G3529 " --> pdb=" O UNK G3525 " (cutoff:3.500A) Processing helix chain 'G' and resid 3541 through 3547 Processing helix chain 'G' and resid 3551 through 3560 Processing helix chain 'G' and resid 3574 through 3579 removed outlier: 3.610A pdb=" N UNK G3579 " --> pdb=" O UNK G3575 " (cutoff:3.500A) Processing helix chain 'G' and resid 3589 through 3611 removed outlier: 4.029A pdb=" N UNK G3595 " --> pdb=" O UNK G3591 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N UNK G3598 " --> pdb=" O UNK G3594 " (cutoff:3.500A) removed outlier: 3.901A pdb=" N UNK G3600 " --> pdb=" O UNK G3596 " (cutoff:3.500A) removed outlier: 3.875A pdb=" N UNK G3601 " --> pdb=" O UNK G3597 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N UNK G3610 " --> pdb=" O UNK G3606 " (cutoff:3.500A) removed outlier: 3.841A pdb=" N UNK G3611 " --> pdb=" O UNK G3607 " (cutoff:3.500A) Processing helix chain 'G' and resid 3645 through 3656 removed outlier: 3.797A pdb=" N GLU G3655 " --> pdb=" O ASN G3651 " (cutoff:3.500A) Processing helix chain 'G' and resid 3657 through 3661 Processing helix chain 'G' and resid 3671 through 3680 removed outlier: 3.601A pdb=" N ASP G3676 " --> pdb=" O ARG G3672 " (cutoff:3.500A) removed outlier: 4.014A pdb=" N LEU G3677 " --> pdb=" O MET G3673 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N SER G3678 " --> pdb=" O ILE G3674 " (cutoff:3.500A) Processing helix chain 'G' and resid 3681 through 3683 No H-bonds generated for 'chain 'G' and resid 3681 through 3683' Processing helix chain 'G' and resid 3696 through 3711 removed outlier: 3.596A pdb=" N ALA G3709 " --> pdb=" O PHE G3705 " (cutoff:3.500A) removed outlier: 3.976A pdb=" N THR G3711 " --> pdb=" O ARG G3707 " (cutoff:3.500A) Processing helix chain 'G' and resid 3719 through 3738 removed outlier: 3.693A pdb=" N GLU G3736 " --> pdb=" O SER G3732 " (cutoff:3.500A) Processing helix chain 'G' and resid 3752 through 3770 removed outlier: 3.532A pdb=" N GLU G3757 " --> pdb=" O PHE G3753 " (cutoff:3.500A) removed outlier: 3.697A pdb=" N GLU G3759 " --> pdb=" O GLU G3755 " (cutoff:3.500A) removed outlier: 3.607A pdb=" N LYS G3760 " --> pdb=" O LYS G3756 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N ARG G3762 " --> pdb=" O MET G3758 " (cutoff:3.500A) removed outlier: 4.058A pdb=" N GLN G3767 " --> pdb=" O LEU G3763 " (cutoff:3.500A) removed outlier: 3.997A pdb=" N SER G3768 " --> pdb=" O LEU G3764 " (cutoff:3.500A) Processing helix chain 'G' and resid 3771 through 3784 removed outlier: 4.419A pdb=" N GLU G3777 " --> pdb=" O ARG G3773 " (cutoff:3.500A) removed outlier: 4.012A pdb=" N MET G3778 " --> pdb=" O GLY G3774 " (cutoff:3.500A) removed outlier: 3.673A pdb=" N VAL G3779 " --> pdb=" O ALA G3775 " (cutoff:3.500A) removed outlier: 5.330A pdb=" N LEU G3780 " --> pdb=" O ALA G3776 " (cutoff:3.500A) Processing helix chain 'G' and resid 3791 through 3803 removed outlier: 4.020A pdb=" N LYS G3799 " --> pdb=" O SER G3795 " (cutoff:3.500A) removed outlier: 3.548A pdb=" N LEU G3800 " --> pdb=" O SER G3796 " (cutoff:3.500A) Processing helix chain 'G' and resid 3809 through 3824 Processing helix chain 'G' and resid 3827 through 3838 removed outlier: 3.513A pdb=" N ILE G3832 " --> pdb=" O PHE G3828 " (cutoff:3.500A) Processing helix chain 'G' and resid 3843 through 3856 removed outlier: 3.573A pdb=" N LYS G3852 " --> pdb=" O GLU G3848 " (cutoff:3.500A) Processing helix chain 'G' and resid 3877 through 3890 removed outlier: 4.411A pdb=" N ASP G3883 " --> pdb=" O GLU G3879 " (cutoff:3.500A) removed outlier: 3.619A pdb=" N ARG G3886 " --> pdb=" O GLN G3882 " (cutoff:3.500A) removed outlier: 3.565A pdb=" N PHE G3887 " --> pdb=" O ASP G3883 " (cutoff:3.500A) removed outlier: 3.538A pdb=" N LEU G3888 " --> pdb=" O LEU G3884 " (cutoff:3.500A) Processing helix chain 'G' and resid 3898 through 3903 Processing helix chain 'G' and resid 3914 through 3938 removed outlier: 3.978A pdb=" N CYS G3918 " --> pdb=" O ASN G3914 " (cutoff:3.500A) removed outlier: 3.798A pdb=" N TYR G3934 " --> pdb=" O ILE G3930 " (cutoff:3.500A) removed outlier: 4.433A pdb=" N TRP G3935 " --> pdb=" O SER G3931 " (cutoff:3.500A) removed outlier: 3.906A pdb=" N TYR G3936 " --> pdb=" O ASP G3932 " (cutoff:3.500A) removed outlier: 3.778A pdb=" N TYR G3937 " --> pdb=" O PHE G3933 " (cutoff:3.500A) Processing helix chain 'G' and resid 3944 through 3970 removed outlier: 3.640A pdb=" N LYS G3953 " --> pdb=" O ARG G3949 " (cutoff:3.500A) removed outlier: 4.600A pdb=" N ALA G3954 " --> pdb=" O ASN G3950 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N MET G3955 " --> pdb=" O PHE G3951 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N GLN G3960 " --> pdb=" O SER G3956 " (cutoff:3.500A) removed outlier: 3.583A pdb=" N GLU G3967 " --> pdb=" O ASN G3963 " (cutoff:3.500A) removed outlier: 3.768A pdb=" N TYR G3968 " --> pdb=" O SER G3964 " (cutoff:3.500A) removed outlier: 4.013A pdb=" N ILE G3969 " --> pdb=" O LEU G3965 " (cutoff:3.500A) Processing helix chain 'G' and resid 3973 through 3983 Processing helix chain 'G' and resid 3984 through 4003 removed outlier: 3.689A pdb=" N ALA G3988 " --> pdb=" O ARG G3984 " (cutoff:3.500A) removed outlier: 3.855A pdb=" N GLY G3991 " --> pdb=" O ASP G3987 " (cutoff:3.500A) removed outlier: 3.784A pdb=" N PHE G3992 " --> pdb=" O ALA G3988 " (cutoff:3.500A) removed outlier: 4.158A pdb=" N LEU G3993 " --> pdb=" O VAL G3989 " (cutoff:3.500A) removed outlier: 3.654A pdb=" N HIS G3994 " --> pdb=" O VAL G3990 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N HIS G3998 " --> pdb=" O HIS G3994 " (cutoff:3.500A) removed outlier: 4.151A pdb=" N MET G4000 " --> pdb=" O PHE G3996 " (cutoff:3.500A) Processing helix chain 'G' and resid 4004 through 4008 removed outlier: 5.160A pdb=" N SER G4007 " --> pdb=" O ALA G4004 " (cutoff:3.500A) removed outlier: 6.459A pdb=" N SER G4008 " --> pdb=" O GLN G4005 " (cutoff:3.500A) No H-bonds generated for 'chain 'G' and resid 4004 through 4008' Processing helix chain 'G' and resid 4009 through 4030 removed outlier: 4.101A pdb=" N MET G4026 " --> pdb=" O ASP G4022 " (cutoff:3.500A) removed outlier: 3.501A pdb=" N LEU G4027 " --> pdb=" O MET G4023 " (cutoff:3.500A) Processing helix chain 'G' and resid 4039 through 4051 removed outlier: 3.631A pdb=" N ASP G4046 " --> pdb=" O ARG G4042 " (cutoff:3.500A) removed outlier: 3.752A pdb=" N SER G4051 " --> pdb=" O MET G4047 " (cutoff:3.500A) Processing helix chain 'G' and resid 4051 through 4065 removed outlier: 3.513A pdb=" N PHE G4061 " --> pdb=" O MET G4057 " (cutoff:3.500A) Processing helix chain 'G' and resid 4067 through 4072 Processing helix chain 'G' and resid 4074 through 4081 removed outlier: 3.514A pdb=" N GLN G4078 " --> pdb=" O SER G4074 " (cutoff:3.500A) removed outlier: 4.630A pdb=" N TYR G4080 " --> pdb=" O ALA G4076 " (cutoff:3.500A) removed outlier: 4.168A pdb=" N VAL G4081 " --> pdb=" O PHE G4077 " (cutoff:3.500A) Processing helix chain 'G' and resid 4090 through 4100 removed outlier: 3.756A pdb=" N ASP G4098 " --> pdb=" O GLN G4094 " (cutoff:3.500A) Processing helix chain 'G' and resid 4104 through 4114 Processing helix chain 'G' and resid 4117 through 4122 removed outlier: 3.793A pdb=" N MET G4122 " --> pdb=" O ASP G4118 " (cutoff:3.500A) Processing helix chain 'G' and resid 4125 through 4137 removed outlier: 3.514A pdb=" N ASN G4130 " --> pdb=" O GLU G4126 " (cutoff:3.500A) removed outlier: 4.246A pdb=" N ARG G4131 " --> pdb=" O GLU G4127 " (cutoff:3.500A) removed outlier: 4.278A pdb=" N PHE G4132 " --> pdb=" O PHE G4128 " (cutoff:3.500A) removed outlier: 4.190A pdb=" N GLN G4133 " --> pdb=" O ALA G4129 " (cutoff:3.500A) removed outlier: 3.531A pdb=" N GLU G4134 " --> pdb=" O ASN G4130 " (cutoff:3.500A) Proline residue: G4135 - end of helix Processing helix chain 'G' and resid 4138 through 4154 removed outlier: 3.726A pdb=" N ASN G4142 " --> pdb=" O ASP G4138 " (cutoff:3.500A) removed outlier: 3.582A pdb=" N GLU G4152 " --> pdb=" O THR G4148 " (cutoff:3.500A) removed outlier: 3.819A pdb=" N VAL G4154 " --> pdb=" O LEU G4150 " (cutoff:3.500A) Processing helix chain 'G' and resid 4157 through 4167 Processing helix chain 'G' and resid 4168 through 4174 Processing helix chain 'G' and resid 4198 through 4206 removed outlier: 3.660A pdb=" N ARG G4202 " --> pdb=" O SER G4198 " (cutoff:3.500A) Processing helix chain 'G' and resid 4207 through 4224 removed outlier: 3.970A pdb=" N VAL G4222 " --> pdb=" O ILE G4218 " (cutoff:3.500A) Processing helix chain 'G' and resid 4228 through 4252 removed outlier: 4.078A pdb=" N PHE G4234 " --> pdb=" O LYS G4230 " (cutoff:3.500A) removed outlier: 3.831A pdb=" N PHE G4243 " --> pdb=" O GLU G4239 " (cutoff:3.500A) removed outlier: 3.839A pdb=" N GLN G4250 " --> pdb=" O GLN G4246 " (cutoff:3.500A) removed outlier: 4.093A pdb=" N ILE G4251 " --> pdb=" O ILE G4247 " (cutoff:3.500A) removed outlier: 3.737A pdb=" N SER G4252 " --> pdb=" O ALA G4248 " (cutoff:3.500A) Processing helix chain 'G' and resid 4542 through 4558 removed outlier: 3.953A pdb=" N TYR G4554 " --> pdb=" O LYS G4550 " (cutoff:3.500A) removed outlier: 3.877A pdb=" N ASN G4558 " --> pdb=" O TYR G4554 " (cutoff:3.500A) Processing helix chain 'G' and resid 4558 through 4576 removed outlier: 3.973A pdb=" N PHE G4571 " --> pdb=" O LEU G4567 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N ALA G4572 " --> pdb=" O PHE G4568 " (cutoff:3.500A) removed outlier: 3.508A pdb=" N ILE G4573 " --> pdb=" O LEU G4569 " (cutoff:3.500A) Processing helix chain 'G' and resid 4577 through 4579 No H-bonds generated for 'chain 'G' and resid 4577 through 4579' Processing helix chain 'G' and resid 4641 through 4665 removed outlier: 3.538A pdb=" N THR G4651 " --> pdb=" O SER G4647 " (cutoff:3.500A) removed outlier: 3.548A pdb=" N ALA G4654 " --> pdb=" O HIS G4650 " (cutoff:3.500A) removed outlier: 3.557A pdb=" N PHE G4655 " --> pdb=" O THR G4651 " (cutoff:3.500A) removed outlier: 3.987A pdb=" N ILE G4659 " --> pdb=" O PHE G4655 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N GLY G4660 " --> pdb=" O LEU G4656 " (cutoff:3.500A) Processing helix chain 'G' and resid 4667 through 4683 removed outlier: 3.769A pdb=" N ALA G4678 " --> pdb=" O GLU G4674 " (cutoff:3.500A) Processing helix chain 'G' and resid 4697 through 4702 Processing helix chain 'G' and resid 4703 through 4708 removed outlier: 3.574A pdb=" N LEU G4706 " --> pdb=" O ARG G4703 " (cutoff:3.500A) removed outlier: 4.473A pdb=" N ASN G4707 " --> pdb=" O LEU G4704 " (cutoff:3.500A) Processing helix chain 'G' and resid 4719 through 4728 Processing helix chain 'G' and resid 4733 through 4741 Processing helix chain 'G' and resid 4748 through 4753 removed outlier: 3.530A pdb=" N ALA G4752 " --> pdb=" O LEU G4748 " (cutoff:3.500A) Processing helix chain 'G' and resid 4772 through 4786 removed outlier: 3.797A pdb=" N PHE G4780 " --> pdb=" O GLN G4776 " (cutoff:3.500A) removed outlier: 3.788A pdb=" N GLY G4781 " --> pdb=" O ILE G4777 " (cutoff:3.500A) Processing helix chain 'G' and resid 4786 through 4803 removed outlier: 3.606A pdb=" N VAL G4797 " --> pdb=" O GLY G4793 " (cutoff:3.500A) removed outlier: 4.195A pdb=" N MET G4798 " --> pdb=" O TRP G4794 " (cutoff:3.500A) removed outlier: 4.298A pdb=" N SER G4799 " --> pdb=" O TYR G4795 " (cutoff:3.500A) removed outlier: 3.658A pdb=" N LEU G4800 " --> pdb=" O MET G4796 " (cutoff:3.500A) removed outlier: 3.602A pdb=" N HIS G4803 " --> pdb=" O SER G4799 " (cutoff:3.500A) Processing helix chain 'G' and resid 4812 through 4819 removed outlier: 3.716A pdb=" N ILE G4816 " --> pdb=" O HIS G4812 " (cutoff:3.500A) Processing helix chain 'G' and resid 4820 through 4833 removed outlier: 4.064A pdb=" N ILE G4826 " --> pdb=" O THR G4822 " (cutoff:3.500A) removed outlier: 3.918A pdb=" N ASN G4833 " --> pdb=" O SER G4829 " (cutoff:3.500A) Processing helix chain 'G' and resid 4833 through 4858 removed outlier: 3.574A pdb=" N VAL G4838 " --> pdb=" O GLY G4834 " (cutoff:3.500A) removed outlier: 4.754A pdb=" N MET G4839 " --> pdb=" O LYS G4835 " (cutoff:3.500A) removed outlier: 3.520A pdb=" N GLY G4842 " --> pdb=" O VAL G4838 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N LEU G4844 " --> pdb=" O THR G4840 " (cutoff:3.500A) removed outlier: 3.643A pdb=" N ALA G4845 " --> pdb=" O VAL G4841 " (cutoff:3.500A) removed outlier: 3.742A pdb=" N VAL G4848 " --> pdb=" O LEU G4844 " (cutoff:3.500A) removed outlier: 3.673A pdb=" N VAL G4853 " --> pdb=" O TYR G4849 " (cutoff:3.500A) removed outlier: 3.790A pdb=" N VAL G4854 " --> pdb=" O LEU G4850 " (cutoff:3.500A) removed outlier: 4.377A pdb=" N ALA G4855 " --> pdb=" O TYR G4851 " (cutoff:3.500A) Processing helix chain 'G' and resid 4859 through 4863 removed outlier: 3.765A pdb=" N PHE G4862 " --> pdb=" O PHE G4859 " (cutoff:3.500A) removed outlier: 3.908A pdb=" N TYR G4863 " --> pdb=" O ARG G4860 " (cutoff:3.500A) No H-bonds generated for 'chain 'G' and resid 4859 through 4863' Processing helix chain 'G' and resid 4878 through 4889 removed outlier: 3.799A pdb=" N PHE G4885 " --> pdb=" O THR G4881 " (cutoff:3.500A) removed outlier: 3.567A pdb=" N HIS G4886 " --> pdb=" O CYS G4882 " (cutoff:3.500A) Processing helix chain 'G' and resid 4896 through 4900 removed outlier: 3.933A pdb=" N ASP G4899 " --> pdb=" O GLY G4896 " (cutoff:3.500A) removed outlier: 3.605A pdb=" N GLU G4900 " --> pdb=" O ILE G4897 " (cutoff:3.500A) No H-bonds generated for 'chain 'G' and resid 4896 through 4900' Processing helix chain 'G' and resid 4912 through 4922 removed outlier: 3.905A pdb=" N ILE G4918 " --> pdb=" O VAL G4914 " (cutoff:3.500A) Processing helix chain 'G' and resid 4926 through 4957 removed outlier: 3.708A pdb=" N ILE G4936 " --> pdb=" O ILE G4932 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N ILE G4937 " --> pdb=" O GLN G4933 " (cutoff:3.500A) removed outlier: 3.543A pdb=" N VAL G4950 " --> pdb=" O GLN G4946 " (cutoff:3.500A) removed outlier: 3.723A pdb=" N LYS G4951 " --> pdb=" O GLN G4947 " (cutoff:3.500A) removed outlier: 3.896A pdb=" N GLU G4952 " --> pdb=" O GLU G4948 " (cutoff:3.500A) removed outlier: 3.709A pdb=" N ASP G4953 " --> pdb=" O GLN G4949 " (cutoff:3.500A) removed outlier: 3.820A pdb=" N MET G4954 " --> pdb=" O VAL G4950 " (cutoff:3.500A) removed outlier: 3.785A pdb=" N GLU G4955 " --> pdb=" O LYS G4951 " (cutoff:3.500A) Processing helix chain 'G' and resid 4964 through 4969 removed outlier: 4.006A pdb=" N TYR G4967 " --> pdb=" O GLY G4964 " (cutoff:3.500A) Processing helix chain 'G' and resid 4973 through 4981 Processing helix chain 'G' and resid 4986 through 4997 removed outlier: 3.570A pdb=" N PHE G4990 " --> pdb=" O ALA G4986 " (cutoff:3.500A) Processing helix chain 'G' and resid 5006 through 5017 removed outlier: 3.516A pdb=" N MET G5013 " --> pdb=" O TYR G5009 " (cutoff:3.500A) Processing helix chain 'H' and resid 38 through 43 Processing helix chain 'H' and resid 56 through 65 removed outlier: 3.961A pdb=" N GLY H 62 " --> pdb=" O GLY H 58 " (cutoff:3.500A) removed outlier: 3.560A pdb=" N ALA H 63 " --> pdb=" O PHE H 59 " (cutoff:3.500A) removed outlier: 3.637A pdb=" N ALA H 64 " --> pdb=" O GLU H 60 " (cutoff:3.500A) removed outlier: 3.623A pdb=" N GLN H 65 " --> pdb=" O GLU H 61 " (cutoff:3.500A) Processing helix chain 'H' and resid 77 through 81 removed outlier: 3.771A pdb=" N VAL H 80 " --> pdb=" O THR H 77 " (cutoff:3.500A) Processing helix chain 'I' and resid 74 through 83 Processing helix chain 'I' and resid 251 through 255 Processing helix chain 'I' and resid 395 through 412 removed outlier: 3.928A pdb=" N ARG I 402 " --> pdb=" O SER I 398 " (cutoff:3.500A) removed outlier: 3.558A pdb=" N MET I 403 " --> pdb=" O GLN I 399 " (cutoff:3.500A) Processing helix chain 'I' and resid 414 through 419 Processing helix chain 'I' and resid 438 through 450 removed outlier: 3.654A pdb=" N GLY I 450 " --> pdb=" O GLN I 446 " (cutoff:3.500A) Processing helix chain 'I' and resid 460 through 478 removed outlier: 3.564A pdb=" N GLN I 465 " --> pdb=" O HIS I 461 " (cutoff:3.500A) removed outlier: 3.842A pdb=" N SER I 466 " --> pdb=" O GLU I 462 " (cutoff:3.500A) removed outlier: 3.950A pdb=" N PHE I 478 " --> pdb=" O ARG I 474 " (cutoff:3.500A) Processing helix chain 'I' and resid 484 through 494 Processing helix chain 'I' and resid 512 through 531 removed outlier: 4.215A pdb=" N LYS I 516 " --> pdb=" O ALA I 512 " (cutoff:3.500A) removed outlier: 4.468A pdb=" N GLU I 517 " --> pdb=" O GLU I 513 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N TYR I 523 " --> pdb=" O VAL I 519 " (cutoff:3.500A) removed outlier: 3.629A pdb=" N GLU I 524 " --> pdb=" O ASN I 520 " (cutoff:3.500A) removed outlier: 3.936A pdb=" N SER I 528 " --> pdb=" O GLU I 524 " (cutoff:3.500A) removed outlier: 4.054A pdb=" N LEU I 529 " --> pdb=" O LEU I 525 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N ILE I 530 " --> pdb=" O LEU I 526 " (cutoff:3.500A) Processing helix chain 'I' and resid 538 through 542 removed outlier: 3.632A pdb=" N SER I 541 " --> pdb=" O ALA I 538 " (cutoff:3.500A) removed outlier: 4.105A pdb=" N THR I 542 " --> pdb=" O LEU I 539 " (cutoff:3.500A) No H-bonds generated for 'chain 'I' and resid 538 through 542' Processing helix chain 'I' and resid 543 through 548 removed outlier: 3.746A pdb=" N VAL I 548 " --> pdb=" O LEU I 544 " (cutoff:3.500A) Processing helix chain 'I' and resid 559 through 571 removed outlier: 3.866A pdb=" N TYR I 565 " --> pdb=" O LEU I 561 " (cutoff:3.500A) removed outlier: 4.272A pdb=" N GLU I 570 " --> pdb=" O CYS I 566 " (cutoff:3.500A) removed outlier: 3.772A pdb=" N SER I 571 " --> pdb=" O VAL I 567 " (cutoff:3.500A) Processing helix chain 'I' and resid 571 through 577 removed outlier: 3.847A pdb=" N LEU I 575 " --> pdb=" O SER I 571 " (cutoff:3.500A) Processing helix chain 'I' and resid 580 through 593 Processing helix chain 'I' and resid 596 through 608 removed outlier: 3.989A pdb=" N LEU I 600 " --> pdb=" O ASN I 596 " (cutoff:3.500A) removed outlier: 3.502A pdb=" N LEU I 603 " --> pdb=" O VAL I 599 " (cutoff:3.500A) removed outlier: 3.567A pdb=" N CYS I 607 " --> pdb=" O LEU I 603 " (cutoff:3.500A) removed outlier: 4.275A pdb=" N VAL I 608 " --> pdb=" O CYS I 604 " (cutoff:3.500A) Processing helix chain 'I' and resid 614 through 625 removed outlier: 3.942A pdb=" N GLN I 618 " --> pdb=" O VAL I 614 " (cutoff:3.500A) removed outlier: 3.579A pdb=" N ASP I 619 " --> pdb=" O ARG I 615 " (cutoff:3.500A) removed outlier: 3.610A pdb=" N ILE I 621 " --> pdb=" O ASN I 617 " (cutoff:3.500A) removed outlier: 3.626A pdb=" N THR I 622 " --> pdb=" O GLN I 618 " (cutoff:3.500A) Processing helix chain 'I' and resid 864 through 889 removed outlier: 3.550A pdb=" N ILE I 870 " --> pdb=" O HIS I 866 " (cutoff:3.500A) removed outlier: 3.855A pdb=" N GLU I 872 " --> pdb=" O GLU I 868 " (cutoff:3.500A) removed outlier: 4.022A pdb=" N LYS I 873 " --> pdb=" O ARG I 869 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N HIS I 879 " --> pdb=" O ALA I 875 " (cutoff:3.500A) removed outlier: 3.707A pdb=" N ARG I 886 " --> pdb=" O TRP I 882 " (cutoff:3.500A) removed outlier: 3.617A pdb=" N ILE I 887 " --> pdb=" O ALA I 883 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N GLN I 889 " --> pdb=" O THR I 885 " (cutoff:3.500A) Processing helix chain 'I' and resid 914 through 932 removed outlier: 3.611A pdb=" N ASN I 919 " --> pdb=" O GLU I 915 " (cutoff:3.500A) removed outlier: 3.560A pdb=" N GLN I 923 " --> pdb=" O ASN I 919 " (cutoff:3.500A) removed outlier: 3.613A pdb=" N LEU I 932 " --> pdb=" O THR I 928 " (cutoff:3.500A) Processing helix chain 'I' and resid 933 through 936 removed outlier: 3.948A pdb=" N GLY I 936 " --> pdb=" O LEU I 933 " (cutoff:3.500A) No H-bonds generated for 'chain 'I' and resid 933 through 936' Processing helix chain 'I' and resid 980 through 1001 removed outlier: 3.708A pdb=" N LEU I 984 " --> pdb=" O ALA I 980 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N ASP I 986 " --> pdb=" O THR I 982 " (cutoff:3.500A) removed outlier: 3.663A pdb=" N ALA I 989 " --> pdb=" O VAL I 985 " (cutoff:3.500A) removed outlier: 3.811A pdb=" N ASN I 994 " --> pdb=" O GLU I 990 " (cutoff:3.500A) Processing helix chain 'I' and resid 1028 through 1049 removed outlier: 4.453A pdb=" N GLN I1041 " --> pdb=" O ASP I1037 " (cutoff:3.500A) removed outlier: 4.864A pdb=" N ALA I1042 " --> pdb=" O SER I1038 " (cutoff:3.500A) removed outlier: 3.897A pdb=" N VAL I1043 " --> pdb=" O LEU I1039 " (cutoff:3.500A) removed outlier: 4.279A pdb=" N ARG I1044 " --> pdb=" O CYS I1040 " (cutoff:3.500A) removed outlier: 4.177A pdb=" N THR I1045 " --> pdb=" O GLN I1041 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N LEU I1046 " --> pdb=" O ALA I1042 " (cutoff:3.500A) Processing helix chain 'I' and resid 1078 through 1082 Processing helix chain 'I' and resid 1576 through 1581 removed outlier: 3.612A pdb=" N PHE I1580 " --> pdb=" O SER I1576 " (cutoff:3.500A) removed outlier: 4.217A pdb=" N LEU I1581 " --> pdb=" O ALA I1577 " (cutoff:3.500A) No H-bonds generated for 'chain 'I' and resid 1576 through 1581' Processing helix chain 'I' and resid 1623 through 1627 Processing helix chain 'I' and resid 1652 through 1657 removed outlier: 3.510A pdb=" N ARG I1656 " --> pdb=" O GLU I1652 " (cutoff:3.500A) Processing helix chain 'I' and resid 1658 through 1674 removed outlier: 3.782A pdb=" N TYR I1670 " --> pdb=" O THR I1666 " (cutoff:3.500A) removed outlier: 4.557A pdb=" N ARG I1671 " --> pdb=" O LEU I1667 " (cutoff:3.500A) Processing helix chain 'I' and resid 1678 through 1686 removed outlier: 3.636A pdb=" N ALA I1684 " --> pdb=" O ARG I1680 " (cutoff:3.500A) removed outlier: 4.157A pdb=" N CYS I1686 " --> pdb=" O ALA I1682 " (cutoff:3.500A) Processing helix chain 'I' and resid 1692 through 1700 removed outlier: 3.883A pdb=" N LEU I1698 " --> pdb=" O LEU I1694 " (cutoff:3.500A) removed outlier: 3.661A pdb=" N GLU I1699 " --> pdb=" O LEU I1695 " (cutoff:3.500A) removed outlier: 3.611A pdb=" N ASP I1700 " --> pdb=" O HIS I1696 " (cutoff:3.500A) Processing helix chain 'I' and resid 1707 through 1709 No H-bonds generated for 'chain 'I' and resid 1707 through 1709' Processing helix chain 'I' and resid 1710 through 1718 removed outlier: 4.376A pdb=" N LEU I1714 " --> pdb=" O GLY I1710 " (cutoff:3.500A) removed outlier: 4.635A pdb=" N ILE I1716 " --> pdb=" O TYR I1712 " (cutoff:3.500A) Processing helix chain 'I' and resid 1723 through 1730 Processing helix chain 'I' and resid 1739 through 1744 Processing helix chain 'I' and resid 1753 through 1758 removed outlier: 4.252A pdb=" N ALA I1757 " --> pdb=" O LYS I1753 " (cutoff:3.500A) Processing helix chain 'I' and resid 1804 through 1823 removed outlier: 3.616A pdb=" N GLY I1823 " --> pdb=" O VAL I1819 " (cutoff:3.500A) Processing helix chain 'I' and resid 1833 through 1838 Processing helix chain 'I' and resid 1840 through 1851 Processing helix chain 'I' and resid 1855 through 1863 Processing helix chain 'I' and resid 1866 through 1871 Processing helix chain 'I' and resid 1925 through 1929 removed outlier: 3.658A pdb=" N GLN I1928 " --> pdb=" O GLY I1925 " (cutoff:3.500A) removed outlier: 3.674A pdb=" N MET I1929 " --> pdb=" O LEU I1926 " (cutoff:3.500A) No H-bonds generated for 'chain 'I' and resid 1925 through 1929' Processing helix chain 'I' and resid 1933 through 1982 removed outlier: 3.765A pdb=" N TYR I1945 " --> pdb=" O ASN I1941 " (cutoff:3.500A) removed outlier: 3.880A pdb=" N PHE I1946 " --> pdb=" O LEU I1942 " (cutoff:3.500A) removed outlier: 3.616A pdb=" N CYS I1947 " --> pdb=" O LEU I1943 " (cutoff:3.500A) removed outlier: 3.766A pdb=" N GLU I1963 " --> pdb=" O ALA I1959 " (cutoff:3.500A) removed outlier: 3.778A pdb=" N ARG I1964 " --> pdb=" O ALA I1960 " (cutoff:3.500A) removed outlier: 3.515A pdb=" N TYR I1965 " --> pdb=" O PHE I1961 " (cutoff:3.500A) removed outlier: 3.816A pdb=" N VAL I1966 " --> pdb=" O ALA I1962 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N ASP I1967 " --> pdb=" O GLU I1963 " (cutoff:3.500A) removed outlier: 3.809A pdb=" N LYS I1968 " --> pdb=" O ARG I1964 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N ALA I1978 " --> pdb=" O ARG I1974 " (cutoff:3.500A) Processing helix chain 'I' and resid 1989 through 1994 removed outlier: 3.888A pdb=" N ARG I1993 " --> pdb=" O ALA I1989 " (cutoff:3.500A) removed outlier: 3.921A pdb=" N ARG I1994 " --> pdb=" O GLU I1990 " (cutoff:3.500A) No H-bonds generated for 'chain 'I' and resid 1989 through 1994' Processing helix chain 'I' and resid 1994 through 1999 Processing helix chain 'I' and resid 2001 through 2011 removed outlier: 3.674A pdb=" N ILE I2006 " --> pdb=" O PRO I2002 " (cutoff:3.500A) removed outlier: 4.003A pdb=" N ASN I2007 " --> pdb=" O GLN I2003 " (cutoff:3.500A) removed outlier: 4.399A pdb=" N HIS I2011 " --> pdb=" O ASN I2007 " (cutoff:3.500A) Processing helix chain 'I' and resid 2026 through 2042 removed outlier: 3.706A pdb=" N ASP I2030 " --> pdb=" O ASP I2026 " (cutoff:3.500A) removed outlier: 4.179A pdb=" N LEU I2031 " --> pdb=" O ILE I2027 " (cutoff:3.500A) removed outlier: 3.880A pdb=" N GLN I2032 " --> pdb=" O ARG I2028 " (cutoff:3.500A) Processing helix chain 'I' and resid 2094 through 2107 removed outlier: 3.608A pdb=" N HIS I2100 " --> pdb=" O GLU I2096 " (cutoff:3.500A) removed outlier: 3.825A pdb=" N VAL I2103 " --> pdb=" O SER I2099 " (cutoff:3.500A) removed outlier: 3.585A pdb=" N TRP I2105 " --> pdb=" O MET I2101 " (cutoff:3.500A) Processing helix chain 'I' and resid 2113 through 2129 removed outlier: 3.669A pdb=" N VAL I2117 " --> pdb=" O SER I2113 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N TYR I2128 " --> pdb=" O LEU I2124 " (cutoff:3.500A) Processing helix chain 'I' and resid 2129 through 2138 Processing helix chain 'I' and resid 2148 through 2165 removed outlier: 3.664A pdb=" N CYS I2158 " --> pdb=" O SER I2154 " (cutoff:3.500A) Processing helix chain 'I' and resid 2171 through 2187 removed outlier: 3.683A pdb=" N LEU I2177 " --> pdb=" O GLN I2173 " (cutoff:3.500A) Processing helix chain 'I' and resid 2189 through 2194 Processing helix chain 'I' and resid 2194 through 2201 removed outlier: 3.686A pdb=" N MET I2198 " --> pdb=" O HIS I2194 " (cutoff:3.500A) Processing helix chain 'I' and resid 2202 through 2216 removed outlier: 3.842A pdb=" N VAL I2210 " --> pdb=" O THR I2206 " (cutoff:3.500A) removed outlier: 3.628A pdb=" N ASN I2213 " --> pdb=" O GLU I2209 " (cutoff:3.500A) Processing helix chain 'I' and resid 2227 through 2242 removed outlier: 3.709A pdb=" N CYS I2233 " --> pdb=" O VAL I2229 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N TYR I2238 " --> pdb=" O ARG I2234 " (cutoff:3.500A) Processing helix chain 'I' and resid 2245 through 2252 removed outlier: 3.636A pdb=" N ASP I2252 " --> pdb=" O ARG I2248 " (cutoff:3.500A) Processing helix chain 'I' and resid 2253 through 2262 removed outlier: 4.109A pdb=" N ASN I2260 " --> pdb=" O TYR I2256 " (cutoff:3.500A) Processing helix chain 'I' and resid 2271 through 2279 removed outlier: 3.531A pdb=" N ALA I2276 " --> pdb=" O PRO I2272 " (cutoff:3.500A) removed outlier: 3.549A pdb=" N SER I2279 " --> pdb=" O VAL I2275 " (cutoff:3.500A) Processing helix chain 'I' and resid 2294 through 2306 removed outlier: 3.527A pdb=" N VAL I2298 " --> pdb=" O ASP I2294 " (cutoff:3.500A) removed outlier: 3.631A pdb=" N VAL I2299 " --> pdb=" O LEU I2295 " (cutoff:3.500A) Processing helix chain 'I' and resid 2310 through 2315 removed outlier: 4.054A pdb=" N ALA I2315 " --> pdb=" O PRO I2311 " (cutoff:3.500A) Processing helix chain 'I' and resid 2326 through 2331 removed outlier: 3.582A pdb=" N TYR I2331 " --> pdb=" O GLY I2327 " (cutoff:3.500A) Processing helix chain 'I' and resid 2346 through 2355 removed outlier: 3.906A pdb=" N ALA I2350 " --> pdb=" O VAL I2346 " (cutoff:3.500A) removed outlier: 5.000A pdb=" N VAL I2352 " --> pdb=" O GLU I2348 " (cutoff:3.500A) removed outlier: 3.990A pdb=" N VAL I2353 " --> pdb=" O ASN I2349 " (cutoff:3.500A) Processing helix chain 'I' and resid 2360 through 2364 Processing helix chain 'I' and resid 2375 through 2388 removed outlier: 3.544A pdb=" N ARG I2385 " --> pdb=" O GLU I2381 " (cutoff:3.500A) Processing helix chain 'I' and resid 2389 through 2393 Processing helix chain 'I' and resid 2418 through 2434 removed outlier: 3.765A pdb=" N MET I2423 " --> pdb=" O GLY I2419 " (cutoff:3.500A) removed outlier: 3.736A pdb=" N ALA I2428 " --> pdb=" O SER I2424 " (cutoff:3.500A) Processing helix chain 'I' and resid 2440 through 2445 Processing helix chain 'I' and resid 2448 through 2461 removed outlier: 3.682A pdb=" N ILE I2453 " --> pdb=" O GLU I2449 " (cutoff:3.500A) Processing helix chain 'I' and resid 2466 through 2471 removed outlier: 3.612A pdb=" N ILE I2470 " --> pdb=" O LEU I2466 " (cutoff:3.500A) Processing helix chain 'I' and resid 2502 through 2507 removed outlier: 3.845A pdb=" N UNK I2506 " --> pdb=" O UNK I2502 " (cutoff:3.500A) Processing helix chain 'I' and resid 2516 through 2522 Processing helix chain 'I' and resid 2525 through 2530 Processing helix chain 'I' and resid 2542 through 2548 removed outlier: 3.642A pdb=" N UNK I2546 " --> pdb=" O UNK I2542 " (cutoff:3.500A) Processing helix chain 'I' and resid 2551 through 2557 removed outlier: 3.834A pdb=" N UNK I2555 " --> pdb=" O UNK I2551 " (cutoff:3.500A) Processing helix chain 'I' and resid 2567 through 2581 removed outlier: 3.507A pdb=" N UNK I2578 " --> pdb=" O UNK I2574 " (cutoff:3.500A) Processing helix chain 'I' and resid 2587 through 2602 removed outlier: 3.529A pdb=" N UNK I2597 " --> pdb=" O UNK I2593 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N UNK I2602 " --> pdb=" O UNK I2598 " (cutoff:3.500A) Processing helix chain 'I' and resid 2610 through 2618 removed outlier: 3.605A pdb=" N UNK I2617 " --> pdb=" O UNK I2613 " (cutoff:3.500A) removed outlier: 3.804A pdb=" N UNK I2618 " --> pdb=" O UNK I2614 " (cutoff:3.500A) Processing helix chain 'I' and resid 2626 through 2641 removed outlier: 3.920A pdb=" N UNK I2630 " --> pdb=" O UNK I2626 " (cutoff:3.500A) removed outlier: 3.872A pdb=" N UNK I2631 " --> pdb=" O UNK I2627 " (cutoff:3.500A) removed outlier: 3.578A pdb=" N UNK I2634 " --> pdb=" O UNK I2630 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N UNK I2635 " --> pdb=" O UNK I2631 " (cutoff:3.500A) removed outlier: 3.520A pdb=" N UNK I2639 " --> pdb=" O UNK I2635 " (cutoff:3.500A) removed outlier: 3.706A pdb=" N UNK I2641 " --> pdb=" O UNK I2637 " (cutoff:3.500A) Processing helix chain 'I' and resid 2650 through 2666 Processing helix chain 'I' and resid 2677 through 2683 removed outlier: 3.970A pdb=" N UNK I2681 " --> pdb=" O UNK I2677 " (cutoff:3.500A) removed outlier: 4.172A pdb=" N UNK I2683 " --> pdb=" O UNK I2679 " (cutoff:3.500A) Processing helix chain 'I' and resid 2751 through 2773 removed outlier: 3.832A pdb=" N PHE I2768 " --> pdb=" O GLU I2764 " (cutoff:3.500A) removed outlier: 3.723A pdb=" N ASP I2769 " --> pdb=" O LYS I2765 " (cutoff:3.500A) Processing helix chain 'I' and resid 2793 through 2797 removed outlier: 3.516A pdb=" N THR I2796 " --> pdb=" O PRO I2793 " (cutoff:3.500A) removed outlier: 3.594A pdb=" N PHE I2797 " --> pdb=" O TYR I2794 " (cutoff:3.500A) No H-bonds generated for 'chain 'I' and resid 2793 through 2797' Processing helix chain 'I' and resid 2800 through 2804 removed outlier: 3.555A pdb=" N ILE I2804 " --> pdb=" O ASP I2801 " (cutoff:3.500A) Processing helix chain 'I' and resid 2809 through 2820 removed outlier: 3.920A pdb=" N ALA I2815 " --> pdb=" O GLU I2811 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N MET I2816 " --> pdb=" O SER I2812 " (cutoff:3.500A) Processing helix chain 'I' and resid 2868 through 2895 removed outlier: 4.048A pdb=" N MET I2874 " --> pdb=" O GLU I2870 " (cutoff:3.500A) removed outlier: 3.696A pdb=" N ALA I2875 " --> pdb=" O LEU I2871 " (cutoff:3.500A) removed outlier: 3.580A pdb=" N GLU I2876 " --> pdb=" O GLN I2872 " (cutoff:3.500A) removed outlier: 4.012A pdb=" N TRP I2886 " --> pdb=" O TYR I2882 " (cutoff:3.500A) Processing helix chain 'I' and resid 2907 through 2911 Processing helix chain 'I' and resid 2914 through 2932 removed outlier: 3.908A pdb=" N ARG I2920 " --> pdb=" O LYS I2916 " (cutoff:3.500A) removed outlier: 3.530A pdb=" N GLU I2921 " --> pdb=" O ALA I2917 " (cutoff:3.500A) removed outlier: 3.617A pdb=" N LEU I2926 " --> pdb=" O LYS I2922 " (cutoff:3.500A) Processing helix chain 'I' and resid 2933 through 2935 No H-bonds generated for 'chain 'I' and resid 2933 through 2935' Processing helix chain 'I' and resid 2950 through 2976 removed outlier: 4.185A pdb=" N UNK I2956 " --> pdb=" O UNK I2952 " (cutoff:3.500A) removed outlier: 3.558A pdb=" N UNK I2968 " --> pdb=" O UNK I2964 " (cutoff:3.500A) removed outlier: 3.858A pdb=" N UNK I2969 " --> pdb=" O UNK I2965 " (cutoff:3.500A) Processing helix chain 'I' and resid 2995 through 2998 removed outlier: 3.927A pdb=" N UNK I2998 " --> pdb=" O UNK I2995 " (cutoff:3.500A) No H-bonds generated for 'chain 'I' and resid 2995 through 2998' Processing helix chain 'I' and resid 2999 through 3016 removed outlier: 3.571A pdb=" N UNK I3004 " --> pdb=" O UNK I3000 " (cutoff:3.500A) removed outlier: 3.617A pdb=" N UNK I3006 " --> pdb=" O UNK I3002 " (cutoff:3.500A) removed outlier: 3.692A pdb=" N UNK I3009 " --> pdb=" O UNK I3005 " (cutoff:3.500A) removed outlier: 3.752A pdb=" N UNK I3010 " --> pdb=" O UNK I3006 " (cutoff:3.500A) removed outlier: 3.785A pdb=" N UNK I3013 " --> pdb=" O UNK I3009 " (cutoff:3.500A) Processing helix chain 'I' and resid 3017 through 3022 Processing helix chain 'I' and resid 3029 through 3040 removed outlier: 3.590A pdb=" N UNK I3037 " --> pdb=" O UNK I3033 " (cutoff:3.500A) Processing helix chain 'I' and resid 3052 through 3058 removed outlier: 4.160A pdb=" N UNK I3056 " --> pdb=" O UNK I3052 " (cutoff:3.500A) removed outlier: 3.509A pdb=" N UNK I3057 " --> pdb=" O UNK I3053 " (cutoff:3.500A) Processing helix chain 'I' and resid 3058 through 3063 removed outlier: 4.185A pdb=" N UNK I3062 " --> pdb=" O UNK I3058 " (cutoff:3.500A) Processing helix chain 'I' and resid 3141 through 3146 Processing helix chain 'I' and resid 3146 through 3162 removed outlier: 4.051A pdb=" N UNK I3154 " --> pdb=" O UNK I3150 " (cutoff:3.500A) Processing helix chain 'I' and resid 3175 through 3186 removed outlier: 3.675A pdb=" N UNK I3182 " --> pdb=" O UNK I3178 " (cutoff:3.500A) Processing helix chain 'I' and resid 3198 through 3212 removed outlier: 3.579A pdb=" N UNK I3205 " --> pdb=" O UNK I3201 " (cutoff:3.500A) Processing helix chain 'I' and resid 3224 through 3230 removed outlier: 3.797A pdb=" N UNK I3228 " --> pdb=" O UNK I3224 " (cutoff:3.500A) Processing helix chain 'I' and resid 3248 through 3254 removed outlier: 3.531A pdb=" N UNK I3252 " --> pdb=" O UNK I3248 " (cutoff:3.500A) Processing helix chain 'I' and resid 3271 through 3280 Processing helix chain 'I' and resid 3280 through 3285 removed outlier: 3.926A pdb=" N UNK I3284 " --> pdb=" O UNK I3280 " (cutoff:3.500A) Processing helix chain 'I' and resid 3305 through 3310 Processing helix chain 'I' and resid 3315 through 3331 removed outlier: 4.065A pdb=" N UNK I3319 " --> pdb=" O UNK I3315 " (cutoff:3.500A) removed outlier: 3.516A pdb=" N UNK I3321 " --> pdb=" O UNK I3317 " (cutoff:3.500A) removed outlier: 3.920A pdb=" N UNK I3323 " --> pdb=" O UNK I3319 " (cutoff:3.500A) removed outlier: 4.663A pdb=" N UNK I3324 " --> pdb=" O UNK I3320 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N UNK I3330 " --> pdb=" O UNK I3326 " (cutoff:3.500A) Processing helix chain 'I' and resid 3344 through 3349 removed outlier: 3.521A pdb=" N UNK I3348 " --> pdb=" O UNK I3344 " (cutoff:3.500A) Processing helix chain 'I' and resid 3361 through 3388 Processing helix chain 'I' and resid 3399 through 3409 removed outlier: 3.842A pdb=" N UNK I3405 " --> pdb=" O UNK I3401 " (cutoff:3.500A) removed outlier: 3.695A pdb=" N UNK I3407 " --> pdb=" O UNK I3403 " (cutoff:3.500A) removed outlier: 3.900A pdb=" N UNK I3409 " --> pdb=" O UNK I3405 " (cutoff:3.500A) Processing helix chain 'I' and resid 3410 through 3425 removed outlier: 3.941A pdb=" N UNK I3416 " --> pdb=" O UNK I3412 " (cutoff:3.500A) removed outlier: 4.515A pdb=" N UNK I3420 " --> pdb=" O UNK I3416 " (cutoff:3.500A) removed outlier: 3.571A pdb=" N UNK I3421 " --> pdb=" O UNK I3417 " (cutoff:3.500A) Processing helix chain 'I' and resid 3437 through 3443 Processing helix chain 'I' and resid 3445 through 3450 Processing helix chain 'I' and resid 3461 through 3468 removed outlier: 3.524A pdb=" N UNK I3468 " --> pdb=" O UNK I3464 " (cutoff:3.500A) Processing helix chain 'I' and resid 3518 through 3521 removed outlier: 3.511A pdb=" N UNK I3521 " --> pdb=" O UNK I3518 " (cutoff:3.500A) No H-bonds generated for 'chain 'I' and resid 3518 through 3521' Processing helix chain 'I' and resid 3522 through 3529 removed outlier: 3.722A pdb=" N UNK I3529 " --> pdb=" O UNK I3525 " (cutoff:3.500A) Processing helix chain 'I' and resid 3541 through 3547 Processing helix chain 'I' and resid 3551 through 3560 Processing helix chain 'I' and resid 3574 through 3579 removed outlier: 3.607A pdb=" N UNK I3579 " --> pdb=" O UNK I3575 " (cutoff:3.500A) Processing helix chain 'I' and resid 3589 through 3611 removed outlier: 4.032A pdb=" N UNK I3595 " --> pdb=" O UNK I3591 " (cutoff:3.500A) removed outlier: 3.661A pdb=" N UNK I3598 " --> pdb=" O UNK I3594 " (cutoff:3.500A) removed outlier: 3.907A pdb=" N UNK I3600 " --> pdb=" O UNK I3596 " (cutoff:3.500A) removed outlier: 3.889A pdb=" N UNK I3601 " --> pdb=" O UNK I3597 " (cutoff:3.500A) removed outlier: 3.594A pdb=" N UNK I3610 " --> pdb=" O UNK I3606 " (cutoff:3.500A) removed outlier: 3.844A pdb=" N UNK I3611 " --> pdb=" O UNK I3607 " (cutoff:3.500A) Processing helix chain 'I' and resid 3645 through 3656 removed outlier: 3.798A pdb=" N GLU I3655 " --> pdb=" O ASN I3651 " (cutoff:3.500A) Processing helix chain 'I' and resid 3657 through 3661 Processing helix chain 'I' and resid 3671 through 3680 removed outlier: 3.600A pdb=" N ASP I3676 " --> pdb=" O ARG I3672 " (cutoff:3.500A) removed outlier: 4.014A pdb=" N LEU I3677 " --> pdb=" O MET I3673 " (cutoff:3.500A) removed outlier: 3.836A pdb=" N SER I3678 " --> pdb=" O ILE I3674 " (cutoff:3.500A) Processing helix chain 'I' and resid 3681 through 3683 No H-bonds generated for 'chain 'I' and resid 3681 through 3683' Processing helix chain 'I' and resid 3696 through 3711 removed outlier: 3.596A pdb=" N ALA I3709 " --> pdb=" O PHE I3705 " (cutoff:3.500A) removed outlier: 3.976A pdb=" N THR I3711 " --> pdb=" O ARG I3707 " (cutoff:3.500A) Processing helix chain 'I' and resid 3719 through 3738 removed outlier: 3.691A pdb=" N GLU I3736 " --> pdb=" O SER I3732 " (cutoff:3.500A) Processing helix chain 'I' and resid 3752 through 3770 removed outlier: 3.530A pdb=" N GLU I3757 " --> pdb=" O PHE I3753 " (cutoff:3.500A) removed outlier: 3.696A pdb=" N GLU I3759 " --> pdb=" O GLU I3755 " (cutoff:3.500A) removed outlier: 3.607A pdb=" N LYS I3760 " --> pdb=" O LYS I3756 " (cutoff:3.500A) removed outlier: 3.994A pdb=" N ARG I3762 " --> pdb=" O MET I3758 " (cutoff:3.500A) removed outlier: 4.059A pdb=" N GLN I3767 " --> pdb=" O LEU I3763 " (cutoff:3.500A) removed outlier: 3.996A pdb=" N SER I3768 " --> pdb=" O LEU I3764 " (cutoff:3.500A) Processing helix chain 'I' and resid 3771 through 3784 removed outlier: 4.420A pdb=" N GLU I3777 " --> pdb=" O ARG I3773 " (cutoff:3.500A) removed outlier: 4.012A pdb=" N MET I3778 " --> pdb=" O GLY I3774 " (cutoff:3.500A) removed outlier: 3.674A pdb=" N VAL I3779 " --> pdb=" O ALA I3775 " (cutoff:3.500A) removed outlier: 5.330A pdb=" N LEU I3780 " --> pdb=" O ALA I3776 " (cutoff:3.500A) Processing helix chain 'I' and resid 3791 through 3803 removed outlier: 4.021A pdb=" N LYS I3799 " --> pdb=" O SER I3795 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N LEU I3800 " --> pdb=" O SER I3796 " (cutoff:3.500A) Processing helix chain 'I' and resid 3809 through 3824 Processing helix chain 'I' and resid 3827 through 3838 removed outlier: 3.514A pdb=" N ILE I3832 " --> pdb=" O PHE I3828 " (cutoff:3.500A) Processing helix chain 'I' and resid 3843 through 3856 removed outlier: 3.574A pdb=" N LYS I3852 " --> pdb=" O GLU I3848 " (cutoff:3.500A) Processing helix chain 'I' and resid 3877 through 3890 removed outlier: 4.412A pdb=" N ASP I3883 " --> pdb=" O GLU I3879 " (cutoff:3.500A) removed outlier: 3.618A pdb=" N ARG I3886 " --> pdb=" O GLN I3882 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N PHE I3887 " --> pdb=" O ASP I3883 " (cutoff:3.500A) removed outlier: 3.538A pdb=" N LEU I3888 " --> pdb=" O LEU I3884 " (cutoff:3.500A) Processing helix chain 'I' and resid 3898 through 3903 Processing helix chain 'I' and resid 3914 through 3938 removed outlier: 3.978A pdb=" N CYS I3918 " --> pdb=" O ASN I3914 " (cutoff:3.500A) removed outlier: 3.798A pdb=" N TYR I3934 " --> pdb=" O ILE I3930 " (cutoff:3.500A) removed outlier: 4.434A pdb=" N TRP I3935 " --> pdb=" O SER I3931 " (cutoff:3.500A) removed outlier: 3.906A pdb=" N TYR I3936 " --> pdb=" O ASP I3932 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N TYR I3937 " --> pdb=" O PHE I3933 " (cutoff:3.500A) Processing helix chain 'I' and resid 3944 through 3970 removed outlier: 3.641A pdb=" N LYS I3953 " --> pdb=" O ARG I3949 " (cutoff:3.500A) removed outlier: 4.599A pdb=" N ALA I3954 " --> pdb=" O ASN I3950 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N MET I3955 " --> pdb=" O PHE I3951 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N GLN I3960 " --> pdb=" O SER I3956 " (cutoff:3.500A) removed outlier: 3.583A pdb=" N GLU I3967 " --> pdb=" O ASN I3963 " (cutoff:3.500A) removed outlier: 3.769A pdb=" N TYR I3968 " --> pdb=" O SER I3964 " (cutoff:3.500A) removed outlier: 4.014A pdb=" N ILE I3969 " --> pdb=" O LEU I3965 " (cutoff:3.500A) Processing helix chain 'I' and resid 3973 through 3983 Processing helix chain 'I' and resid 3984 through 4003 removed outlier: 3.689A pdb=" N ALA I3988 " --> pdb=" O ARG I3984 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N GLY I3991 " --> pdb=" O ASP I3987 " (cutoff:3.500A) removed outlier: 3.784A pdb=" N PHE I3992 " --> pdb=" O ALA I3988 " (cutoff:3.500A) removed outlier: 4.158A pdb=" N LEU I3993 " --> pdb=" O VAL I3989 " (cutoff:3.500A) removed outlier: 3.654A pdb=" N HIS I3994 " --> pdb=" O VAL I3990 " (cutoff:3.500A) removed outlier: 3.586A pdb=" N HIS I3998 " --> pdb=" O HIS I3994 " (cutoff:3.500A) removed outlier: 4.150A pdb=" N MET I4000 " --> pdb=" O PHE I3996 " (cutoff:3.500A) Processing helix chain 'I' and resid 4004 through 4008 removed outlier: 5.159A pdb=" N SER I4007 " --> pdb=" O ALA I4004 " (cutoff:3.500A) removed outlier: 6.460A pdb=" N SER I4008 " --> pdb=" O GLN I4005 " (cutoff:3.500A) No H-bonds generated for 'chain 'I' and resid 4004 through 4008' Processing helix chain 'I' and resid 4009 through 4030 removed outlier: 4.101A pdb=" N MET I4026 " --> pdb=" O ASP I4022 " (cutoff:3.500A) removed outlier: 3.502A pdb=" N LEU I4027 " --> pdb=" O MET I4023 " (cutoff:3.500A) Processing helix chain 'I' and resid 4039 through 4051 removed outlier: 3.631A pdb=" N ASP I4046 " --> pdb=" O ARG I4042 " (cutoff:3.500A) removed outlier: 3.753A pdb=" N SER I4051 " --> pdb=" O MET I4047 " (cutoff:3.500A) Processing helix chain 'I' and resid 4051 through 4065 removed outlier: 3.513A pdb=" N PHE I4061 " --> pdb=" O MET I4057 " (cutoff:3.500A) Processing helix chain 'I' and resid 4067 through 4072 Processing helix chain 'I' and resid 4074 through 4081 removed outlier: 3.515A pdb=" N GLN I4078 " --> pdb=" O SER I4074 " (cutoff:3.500A) removed outlier: 4.630A pdb=" N TYR I4080 " --> pdb=" O ALA I4076 " (cutoff:3.500A) removed outlier: 4.169A pdb=" N VAL I4081 " --> pdb=" O PHE I4077 " (cutoff:3.500A) Processing helix chain 'I' and resid 4090 through 4100 removed outlier: 3.756A pdb=" N ASP I4098 " --> pdb=" O GLN I4094 " (cutoff:3.500A) Processing helix chain 'I' and resid 4104 through 4114 Processing helix chain 'I' and resid 4117 through 4122 removed outlier: 3.792A pdb=" N MET I4122 " --> pdb=" O ASP I4118 " (cutoff:3.500A) Processing helix chain 'I' and resid 4125 through 4137 removed outlier: 3.514A pdb=" N ASN I4130 " --> pdb=" O GLU I4126 " (cutoff:3.500A) removed outlier: 4.245A pdb=" N ARG I4131 " --> pdb=" O GLU I4127 " (cutoff:3.500A) removed outlier: 4.278A pdb=" N PHE I4132 " --> pdb=" O PHE I4128 " (cutoff:3.500A) removed outlier: 4.191A pdb=" N GLN I4133 " --> pdb=" O ALA I4129 " (cutoff:3.500A) removed outlier: 3.530A pdb=" N GLU I4134 " --> pdb=" O ASN I4130 " (cutoff:3.500A) Proline residue: I4135 - end of helix Processing helix chain 'I' and resid 4138 through 4154 removed outlier: 3.726A pdb=" N ASN I4142 " --> pdb=" O ASP I4138 " (cutoff:3.500A) removed outlier: 3.583A pdb=" N GLU I4152 " --> pdb=" O THR I4148 " (cutoff:3.500A) removed outlier: 3.819A pdb=" N VAL I4154 " --> pdb=" O LEU I4150 " (cutoff:3.500A) Processing helix chain 'I' and resid 4157 through 4167 Processing helix chain 'I' and resid 4168 through 4174 Processing helix chain 'I' and resid 4198 through 4206 removed outlier: 3.660A pdb=" N ARG I4202 " --> pdb=" O SER I4198 " (cutoff:3.500A) Processing helix chain 'I' and resid 4207 through 4224 removed outlier: 3.969A pdb=" N VAL I4222 " --> pdb=" O ILE I4218 " (cutoff:3.500A) Processing helix chain 'I' and resid 4228 through 4252 removed outlier: 4.079A pdb=" N PHE I4234 " --> pdb=" O LYS I4230 " (cutoff:3.500A) removed outlier: 3.831A pdb=" N PHE I4243 " --> pdb=" O GLU I4239 " (cutoff:3.500A) removed outlier: 3.839A pdb=" N GLN I4250 " --> pdb=" O GLN I4246 " (cutoff:3.500A) removed outlier: 4.093A pdb=" N ILE I4251 " --> pdb=" O ILE I4247 " (cutoff:3.500A) removed outlier: 3.734A pdb=" N SER I4252 " --> pdb=" O ALA I4248 " (cutoff:3.500A) Processing helix chain 'I' and resid 4542 through 4558 removed outlier: 3.952A pdb=" N TYR I4554 " --> pdb=" O LYS I4550 " (cutoff:3.500A) removed outlier: 3.876A pdb=" N ASN I4558 " --> pdb=" O TYR I4554 " (cutoff:3.500A) Processing helix chain 'I' and resid 4558 through 4576 removed outlier: 3.973A pdb=" N PHE I4571 " --> pdb=" O LEU I4567 " (cutoff:3.500A) removed outlier: 3.823A pdb=" N ALA I4572 " --> pdb=" O PHE I4568 " (cutoff:3.500A) removed outlier: 3.509A pdb=" N ILE I4573 " --> pdb=" O LEU I4569 " (cutoff:3.500A) Processing helix chain 'I' and resid 4577 through 4579 No H-bonds generated for 'chain 'I' and resid 4577 through 4579' Processing helix chain 'I' and resid 4641 through 4665 removed outlier: 3.540A pdb=" N THR I4651 " --> pdb=" O SER I4647 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N ALA I4654 " --> pdb=" O HIS I4650 " (cutoff:3.500A) removed outlier: 3.557A pdb=" N PHE I4655 " --> pdb=" O THR I4651 " (cutoff:3.500A) removed outlier: 3.988A pdb=" N ILE I4659 " --> pdb=" O PHE I4655 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N GLY I4660 " --> pdb=" O LEU I4656 " (cutoff:3.500A) Processing helix chain 'I' and resid 4667 through 4683 removed outlier: 3.769A pdb=" N ALA I4678 " --> pdb=" O GLU I4674 " (cutoff:3.500A) Processing helix chain 'I' and resid 4697 through 4702 Processing helix chain 'I' and resid 4703 through 4708 removed outlier: 3.572A pdb=" N LEU I4706 " --> pdb=" O ARG I4703 " (cutoff:3.500A) removed outlier: 4.473A pdb=" N ASN I4707 " --> pdb=" O LEU I4704 " (cutoff:3.500A) Processing helix chain 'I' and resid 4719 through 4728 Processing helix chain 'I' and resid 4733 through 4741 Processing helix chain 'I' and resid 4748 through 4753 removed outlier: 3.530A pdb=" N ALA I4752 " --> pdb=" O LEU I4748 " (cutoff:3.500A) Processing helix chain 'I' and resid 4772 through 4786 removed outlier: 3.798A pdb=" N PHE I4780 " --> pdb=" O GLN I4776 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N GLY I4781 " --> pdb=" O ILE I4777 " (cutoff:3.500A) Processing helix chain 'I' and resid 4786 through 4803 removed outlier: 3.606A pdb=" N VAL I4797 " --> pdb=" O GLY I4793 " (cutoff:3.500A) removed outlier: 4.195A pdb=" N MET I4798 " --> pdb=" O TRP I4794 " (cutoff:3.500A) removed outlier: 4.298A pdb=" N SER I4799 " --> pdb=" O TYR I4795 " (cutoff:3.500A) removed outlier: 3.659A pdb=" N LEU I4800 " --> pdb=" O MET I4796 " (cutoff:3.500A) removed outlier: 3.603A pdb=" N HIS I4803 " --> pdb=" O SER I4799 " (cutoff:3.500A) Processing helix chain 'I' and resid 4812 through 4819 removed outlier: 3.716A pdb=" N ILE I4816 " --> pdb=" O HIS I4812 " (cutoff:3.500A) Processing helix chain 'I' and resid 4820 through 4833 removed outlier: 4.065A pdb=" N ILE I4826 " --> pdb=" O THR I4822 " (cutoff:3.500A) removed outlier: 3.919A pdb=" N ASN I4833 " --> pdb=" O SER I4829 " (cutoff:3.500A) Processing helix chain 'I' and resid 4833 through 4858 removed outlier: 3.576A pdb=" N VAL I4838 " --> pdb=" O GLY I4834 " (cutoff:3.500A) removed outlier: 4.754A pdb=" N MET I4839 " --> pdb=" O LYS I4835 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N LEU I4844 " --> pdb=" O THR I4840 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N ALA I4845 " --> pdb=" O VAL I4841 " (cutoff:3.500A) removed outlier: 3.742A pdb=" N VAL I4848 " --> pdb=" O LEU I4844 " (cutoff:3.500A) removed outlier: 3.675A pdb=" N VAL I4853 " --> pdb=" O TYR I4849 " (cutoff:3.500A) removed outlier: 3.789A pdb=" N VAL I4854 " --> pdb=" O LEU I4850 " (cutoff:3.500A) removed outlier: 4.377A pdb=" N ALA I4855 " --> pdb=" O TYR I4851 " (cutoff:3.500A) Processing helix chain 'I' and resid 4859 through 4863 removed outlier: 3.765A pdb=" N PHE I4862 " --> pdb=" O PHE I4859 " (cutoff:3.500A) removed outlier: 3.908A pdb=" N TYR I4863 " --> pdb=" O ARG I4860 " (cutoff:3.500A) No H-bonds generated for 'chain 'I' and resid 4859 through 4863' Processing helix chain 'I' and resid 4878 through 4889 removed outlier: 3.800A pdb=" N PHE I4885 " --> pdb=" O THR I4881 " (cutoff:3.500A) removed outlier: 3.568A pdb=" N HIS I4886 " --> pdb=" O CYS I4882 " (cutoff:3.500A) Processing helix chain 'I' and resid 4896 through 4900 removed outlier: 3.933A pdb=" N ASP I4899 " --> pdb=" O GLY I4896 " (cutoff:3.500A) removed outlier: 3.606A pdb=" N GLU I4900 " --> pdb=" O ILE I4897 " (cutoff:3.500A) No H-bonds generated for 'chain 'I' and resid 4896 through 4900' Processing helix chain 'I' and resid 4912 through 4922 removed outlier: 3.904A pdb=" N ILE I4918 " --> pdb=" O VAL I4914 " (cutoff:3.500A) Processing helix chain 'I' and resid 4926 through 4957 removed outlier: 3.707A pdb=" N ILE I4936 " --> pdb=" O ILE I4932 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N ILE I4937 " --> pdb=" O GLN I4933 " (cutoff:3.500A) removed outlier: 3.543A pdb=" N VAL I4950 " --> pdb=" O GLN I4946 " (cutoff:3.500A) removed outlier: 3.722A pdb=" N LYS I4951 " --> pdb=" O GLN I4947 " (cutoff:3.500A) removed outlier: 3.898A pdb=" N GLU I4952 " --> pdb=" O GLU I4948 " (cutoff:3.500A) removed outlier: 3.709A pdb=" N ASP I4953 " --> pdb=" O GLN I4949 " (cutoff:3.500A) removed outlier: 3.820A pdb=" N MET I4954 " --> pdb=" O VAL I4950 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N GLU I4955 " --> pdb=" O LYS I4951 " (cutoff:3.500A) Processing helix chain 'I' and resid 4964 through 4969 removed outlier: 4.007A pdb=" N TYR I4967 " --> pdb=" O GLY I4964 " (cutoff:3.500A) Processing helix chain 'I' and resid 4973 through 4981 Processing helix chain 'I' and resid 4986 through 4997 removed outlier: 3.570A pdb=" N PHE I4990 " --> pdb=" O ALA I4986 " (cutoff:3.500A) Processing helix chain 'I' and resid 5006 through 5017 removed outlier: 3.515A pdb=" N MET I5013 " --> pdb=" O TYR I5009 " (cutoff:3.500A) Processing helix chain 'J' and resid 38 through 43 Processing helix chain 'J' and resid 56 through 65 removed outlier: 3.962A pdb=" N GLY J 62 " --> pdb=" O GLY J 58 " (cutoff:3.500A) removed outlier: 3.559A pdb=" N ALA J 63 " --> pdb=" O PHE J 59 " (cutoff:3.500A) removed outlier: 3.638A pdb=" N ALA J 64 " --> pdb=" O GLU J 60 " (cutoff:3.500A) removed outlier: 3.623A pdb=" N GLN J 65 " --> pdb=" O GLU J 61 " (cutoff:3.500A) Processing helix chain 'J' and resid 77 through 81 removed outlier: 3.772A pdb=" N VAL J 80 " --> pdb=" O THR J 77 " (cutoff:3.500A) Processing sheet with id=AA1, first strand: chain 'A' and resid 21 through 23 Processing sheet with id=AA2, first strand: chain 'A' and resid 27 through 30 Processing sheet with id=AA3, first strand: chain 'B' and resid 24 through 27 Processing sheet with id=AA4, first strand: chain 'B' and resid 67 through 73 removed outlier: 6.528A pdb=" N LEU B 108 " --> pdb=" O GLU B 70 " (cutoff:3.500A) removed outlier: 4.432A pdb=" N SER B 72 " --> pdb=" O ALA B 106 " (cutoff:3.500A) removed outlier: 6.672A pdb=" N ALA B 106 " --> pdb=" O SER B 72 " (cutoff:3.500A) Processing sheet with id=AA5, first strand: chain 'B' and resid 181 through 184 Processing sheet with id=AA6, first strand: chain 'B' and resid 300 through 302 removed outlier: 3.841A pdb=" N VAL B 300 " --> pdb=" O ALA B 292 " (cutoff:3.500A) removed outlier: 4.902A pdb=" N ILE B 282 " --> pdb=" O LEU B 291 " (cutoff:3.500A) removed outlier: 3.596A pdb=" N PHE B 223 " --> pdb=" O PHE B 389 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N PHE B 389 " --> pdb=" O PHE B 223 " (cutoff:3.500A) Processing sheet with id=AA7, first strand: chain 'B' and resid 230 through 233 removed outlier: 3.536A pdb=" N THR B 232 " --> pdb=" O TYR B 246 " (cutoff:3.500A) Processing sheet with id=AA8, first strand: chain 'B' and resid 314 through 317 Processing sheet with id=AA9, first strand: chain 'B' and resid 356 through 359 Processing sheet with id=AB1, first strand: chain 'B' and resid 636 through 639 removed outlier: 3.505A pdb=" N ARG B1646 " --> pdb=" O ILE B1641 " (cutoff:3.500A) Processing sheet with id=AB2, first strand: chain 'B' and resid 713 through 714 removed outlier: 4.309A pdb=" N VAL B 781 " --> pdb=" O ILE B 644 " (cutoff:3.500A) removed outlier: 3.746A pdb=" N ILE B 644 " --> pdb=" O VAL B 781 " (cutoff:3.500A) removed outlier: 3.657A pdb=" N THR B 642 " --> pdb=" O PHE B 783 " (cutoff:3.500A) Processing sheet with id=AB3, first strand: chain 'B' and resid 767 through 768 removed outlier: 3.544A pdb=" N ASP B 742 " --> pdb=" O VAL B 668 " (cutoff:3.500A) removed outlier: 3.659A pdb=" N VAL B 744 " --> pdb=" O VAL B 666 " (cutoff:3.500A) removed outlier: 3.765A pdb=" N VAL B 666 " --> pdb=" O VAL B 744 " (cutoff:3.500A) removed outlier: 4.647A pdb=" N GLU B 665 " --> pdb=" O LEU B 792 " (cutoff:3.500A) Processing sheet with id=AB4, first strand: chain 'B' and resid 892 through 893 removed outlier: 6.590A pdb=" N THR B 892 " --> pdb=" O HIS B 904 " (cutoff:3.500A) No H-bonds generated for sheet with id=AB4 Processing sheet with id=AB5, first strand: chain 'B' and resid 940 through 941 Processing sheet with id=AB6, first strand: chain 'B' and resid 1073 through 1075 removed outlier: 3.888A pdb=" N ARG B1073 " --> pdb=" O LEU B1194 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N LEU B1194 " --> pdb=" O ARG B1073 " (cutoff:3.500A) removed outlier: 3.534A pdb=" N GLY B1103 " --> pdb=" O VAL B1191 " (cutoff:3.500A) Processing sheet with id=AB7, first strand: chain 'B' and resid 1167 through 1168 Processing sheet with id=AB8, first strand: chain 'B' and resid 1167 through 1168 removed outlier: 6.853A pdb=" N ARG B1087 " --> pdb=" O GLU B1224 " (cutoff:3.500A) Processing sheet with id=AB9, first strand: chain 'B' and resid 1255 through 1259 removed outlier: 3.743A pdb=" N GLU B1256 " --> pdb=" O ALA B1273 " (cutoff:3.500A) Processing sheet with id=AC1, first strand: chain 'B' and resid 1459 through 1463 removed outlier: 3.768A pdb=" N UNK B1287 " --> pdb=" O UNK B1460 " (cutoff:3.500A) Processing sheet with id=AC2, first strand: chain 'B' and resid 1293 through 1294 Processing sheet with id=AC3, first strand: chain 'B' and resid 1515 through 1516 Processing sheet with id=AC4, first strand: chain 'B' and resid 1734 through 1736 Processing sheet with id=AC5, first strand: chain 'B' and resid 4178 through 4184 Processing sheet with id=AC6, first strand: chain 'E' and resid 24 through 27 Processing sheet with id=AC7, first strand: chain 'E' and resid 67 through 73 removed outlier: 6.528A pdb=" N LEU E 108 " --> pdb=" O GLU E 70 " (cutoff:3.500A) removed outlier: 4.433A pdb=" N SER E 72 " --> pdb=" O ALA E 106 " (cutoff:3.500A) removed outlier: 6.672A pdb=" N ALA E 106 " --> pdb=" O SER E 72 " (cutoff:3.500A) Processing sheet with id=AC8, first strand: chain 'E' and resid 181 through 184 Processing sheet with id=AC9, first strand: chain 'E' and resid 300 through 302 removed outlier: 3.841A pdb=" N VAL E 300 " --> pdb=" O ALA E 292 " (cutoff:3.500A) removed outlier: 4.901A pdb=" N ILE E 282 " --> pdb=" O LEU E 291 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N PHE E 223 " --> pdb=" O PHE E 389 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N PHE E 389 " --> pdb=" O PHE E 223 " (cutoff:3.500A) Processing sheet with id=AD1, first strand: chain 'E' and resid 230 through 233 removed outlier: 3.537A pdb=" N THR E 232 " --> pdb=" O TYR E 246 " (cutoff:3.500A) Processing sheet with id=AD2, first strand: chain 'E' and resid 314 through 317 Processing sheet with id=AD3, first strand: chain 'E' and resid 356 through 359 Processing sheet with id=AD4, first strand: chain 'E' and resid 636 through 639 removed outlier: 3.505A pdb=" N ARG E1646 " --> pdb=" O ILE E1641 " (cutoff:3.500A) Processing sheet with id=AD5, first strand: chain 'E' and resid 713 through 714 removed outlier: 4.309A pdb=" N VAL E 781 " --> pdb=" O ILE E 644 " (cutoff:3.500A) removed outlier: 3.747A pdb=" N ILE E 644 " --> pdb=" O VAL E 781 " (cutoff:3.500A) removed outlier: 3.657A pdb=" N THR E 642 " --> pdb=" O PHE E 783 " (cutoff:3.500A) Processing sheet with id=AD6, first strand: chain 'E' and resid 767 through 768 removed outlier: 3.545A pdb=" N ASP E 742 " --> pdb=" O VAL E 668 " (cutoff:3.500A) removed outlier: 3.660A pdb=" N VAL E 744 " --> pdb=" O VAL E 666 " (cutoff:3.500A) removed outlier: 3.766A pdb=" N VAL E 666 " --> pdb=" O VAL E 744 " (cutoff:3.500A) removed outlier: 4.647A pdb=" N GLU E 665 " --> pdb=" O LEU E 792 " (cutoff:3.500A) Processing sheet with id=AD7, first strand: chain 'E' and resid 892 through 893 removed outlier: 6.589A pdb=" N THR E 892 " --> pdb=" O HIS E 904 " (cutoff:3.500A) No H-bonds generated for sheet with id=AD7 Processing sheet with id=AD8, first strand: chain 'E' and resid 940 through 941 Processing sheet with id=AD9, first strand: chain 'E' and resid 1073 through 1075 removed outlier: 3.889A pdb=" N ARG E1073 " --> pdb=" O LEU E1194 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N LEU E1194 " --> pdb=" O ARG E1073 " (cutoff:3.500A) removed outlier: 3.535A pdb=" N GLY E1103 " --> pdb=" O VAL E1191 " (cutoff:3.500A) Processing sheet with id=AE1, first strand: chain 'E' and resid 1167 through 1168 Processing sheet with id=AE2, first strand: chain 'E' and resid 1167 through 1168 removed outlier: 6.853A pdb=" N ARG E1087 " --> pdb=" O GLU E1224 " (cutoff:3.500A) Processing sheet with id=AE3, first strand: chain 'E' and resid 1255 through 1259 removed outlier: 3.744A pdb=" N GLU E1256 " --> pdb=" O ALA E1273 " (cutoff:3.500A) Processing sheet with id=AE4, first strand: chain 'E' and resid 1459 through 1463 removed outlier: 3.721A pdb=" N UNK E1287 " --> pdb=" O UNK E1460 " (cutoff:3.500A) Processing sheet with id=AE5, first strand: chain 'E' and resid 1293 through 1294 Processing sheet with id=AE6, first strand: chain 'E' and resid 1515 through 1516 Processing sheet with id=AE7, first strand: chain 'E' and resid 1734 through 1736 Processing sheet with id=AE8, first strand: chain 'E' and resid 4178 through 4184 Processing sheet with id=AE9, first strand: chain 'F' and resid 21 through 23 Processing sheet with id=AF1, first strand: chain 'F' and resid 27 through 30 Processing sheet with id=AF2, first strand: chain 'G' and resid 24 through 27 Processing sheet with id=AF3, first strand: chain 'G' and resid 67 through 73 removed outlier: 6.528A pdb=" N LEU G 108 " --> pdb=" O GLU G 70 " (cutoff:3.500A) removed outlier: 4.432A pdb=" N SER G 72 " --> pdb=" O ALA G 106 " (cutoff:3.500A) removed outlier: 6.673A pdb=" N ALA G 106 " --> pdb=" O SER G 72 " (cutoff:3.500A) Processing sheet with id=AF4, first strand: chain 'G' and resid 181 through 184 Processing sheet with id=AF5, first strand: chain 'G' and resid 300 through 302 removed outlier: 3.842A pdb=" N VAL G 300 " --> pdb=" O ALA G 292 " (cutoff:3.500A) removed outlier: 4.901A pdb=" N ILE G 282 " --> pdb=" O LEU G 291 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N PHE G 223 " --> pdb=" O PHE G 389 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N PHE G 389 " --> pdb=" O PHE G 223 " (cutoff:3.500A) Processing sheet with id=AF6, first strand: chain 'G' and resid 230 through 233 removed outlier: 3.537A pdb=" N THR G 232 " --> pdb=" O TYR G 246 " (cutoff:3.500A) Processing sheet with id=AF7, first strand: chain 'G' and resid 314 through 317 Processing sheet with id=AF8, first strand: chain 'G' and resid 356 through 359 Processing sheet with id=AF9, first strand: chain 'G' and resid 636 through 639 removed outlier: 3.505A pdb=" N ARG G1646 " --> pdb=" O ILE G1641 " (cutoff:3.500A) Processing sheet with id=AG1, first strand: chain 'G' and resid 713 through 714 removed outlier: 4.307A pdb=" N VAL G 781 " --> pdb=" O ILE G 644 " (cutoff:3.500A) removed outlier: 3.745A pdb=" N ILE G 644 " --> pdb=" O VAL G 781 " (cutoff:3.500A) removed outlier: 3.657A pdb=" N THR G 642 " --> pdb=" O PHE G 783 " (cutoff:3.500A) Processing sheet with id=AG2, first strand: chain 'G' and resid 767 through 768 removed outlier: 3.544A pdb=" N ASP G 742 " --> pdb=" O VAL G 668 " (cutoff:3.500A) removed outlier: 3.659A pdb=" N VAL G 744 " --> pdb=" O VAL G 666 " (cutoff:3.500A) removed outlier: 3.766A pdb=" N VAL G 666 " --> pdb=" O VAL G 744 " (cutoff:3.500A) removed outlier: 4.647A pdb=" N GLU G 665 " --> pdb=" O LEU G 792 " (cutoff:3.500A) Processing sheet with id=AG3, first strand: chain 'G' and resid 892 through 893 removed outlier: 6.589A pdb=" N THR G 892 " --> pdb=" O HIS G 904 " (cutoff:3.500A) No H-bonds generated for sheet with id=AG3 Processing sheet with id=AG4, first strand: chain 'G' and resid 940 through 941 Processing sheet with id=AG5, first strand: chain 'G' and resid 1073 through 1075 removed outlier: 3.889A pdb=" N ARG G1073 " --> pdb=" O LEU G1194 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N LEU G1194 " --> pdb=" O ARG G1073 " (cutoff:3.500A) removed outlier: 3.533A pdb=" N GLY G1103 " --> pdb=" O VAL G1191 " (cutoff:3.500A) Processing sheet with id=AG6, first strand: chain 'G' and resid 1167 through 1168 Processing sheet with id=AG7, first strand: chain 'G' and resid 1167 through 1168 removed outlier: 6.853A pdb=" N ARG G1087 " --> pdb=" O GLU G1224 " (cutoff:3.500A) Processing sheet with id=AG8, first strand: chain 'G' and resid 1255 through 1259 removed outlier: 3.743A pdb=" N GLU G1256 " --> pdb=" O ALA G1273 " (cutoff:3.500A) Processing sheet with id=AG9, first strand: chain 'G' and resid 1459 through 1463 removed outlier: 3.643A pdb=" N UNK G1287 " --> pdb=" O UNK G1460 " (cutoff:3.500A) Processing sheet with id=AH1, first strand: chain 'G' and resid 1293 through 1294 Processing sheet with id=AH2, first strand: chain 'G' and resid 1734 through 1736 Processing sheet with id=AH3, first strand: chain 'G' and resid 4178 through 4184 Processing sheet with id=AH4, first strand: chain 'H' and resid 21 through 23 Processing sheet with id=AH5, first strand: chain 'H' and resid 27 through 30 Processing sheet with id=AH6, first strand: chain 'I' and resid 24 through 27 Processing sheet with id=AH7, first strand: chain 'I' and resid 67 through 73 removed outlier: 6.527A pdb=" N LEU I 108 " --> pdb=" O GLU I 70 " (cutoff:3.500A) removed outlier: 4.432A pdb=" N SER I 72 " --> pdb=" O ALA I 106 " (cutoff:3.500A) removed outlier: 6.673A pdb=" N ALA I 106 " --> pdb=" O SER I 72 " (cutoff:3.500A) Processing sheet with id=AH8, first strand: chain 'I' and resid 181 through 184 Processing sheet with id=AH9, first strand: chain 'I' and resid 300 through 302 removed outlier: 3.842A pdb=" N VAL I 300 " --> pdb=" O ALA I 292 " (cutoff:3.500A) removed outlier: 4.901A pdb=" N ILE I 282 " --> pdb=" O LEU I 291 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N PHE I 223 " --> pdb=" O PHE I 389 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N PHE I 389 " --> pdb=" O PHE I 223 " (cutoff:3.500A) Processing sheet with id=AI1, first strand: chain 'I' and resid 230 through 233 removed outlier: 3.536A pdb=" N THR I 232 " --> pdb=" O TYR I 246 " (cutoff:3.500A) Processing sheet with id=AI2, first strand: chain 'I' and resid 314 through 317 Processing sheet with id=AI3, first strand: chain 'I' and resid 356 through 359 Processing sheet with id=AI4, first strand: chain 'I' and resid 636 through 639 removed outlier: 3.505A pdb=" N ARG I1646 " --> pdb=" O ILE I1641 " (cutoff:3.500A) Processing sheet with id=AI5, first strand: chain 'I' and resid 713 through 714 removed outlier: 4.308A pdb=" N VAL I 781 " --> pdb=" O ILE I 644 " (cutoff:3.500A) removed outlier: 3.746A pdb=" N ILE I 644 " --> pdb=" O VAL I 781 " (cutoff:3.500A) removed outlier: 3.657A pdb=" N THR I 642 " --> pdb=" O PHE I 783 " (cutoff:3.500A) Processing sheet with id=AI6, first strand: chain 'I' and resid 767 through 768 removed outlier: 3.545A pdb=" N ASP I 742 " --> pdb=" O VAL I 668 " (cutoff:3.500A) removed outlier: 3.659A pdb=" N VAL I 744 " --> pdb=" O VAL I 666 " (cutoff:3.500A) removed outlier: 3.765A pdb=" N VAL I 666 " --> pdb=" O VAL I 744 " (cutoff:3.500A) removed outlier: 4.647A pdb=" N GLU I 665 " --> pdb=" O LEU I 792 " (cutoff:3.500A) Processing sheet with id=AI7, first strand: chain 'I' and resid 892 through 893 removed outlier: 6.589A pdb=" N THR I 892 " --> pdb=" O HIS I 904 " (cutoff:3.500A) No H-bonds generated for sheet with id=AI7 Processing sheet with id=AI8, first strand: chain 'I' and resid 940 through 941 Processing sheet with id=AI9, first strand: chain 'I' and resid 1073 through 1075 removed outlier: 3.889A pdb=" N ARG I1073 " --> pdb=" O LEU I1194 " (cutoff:3.500A) removed outlier: 3.529A pdb=" N LEU I1194 " --> pdb=" O ARG I1073 " (cutoff:3.500A) removed outlier: 3.532A pdb=" N GLY I1103 " --> pdb=" O VAL I1191 " (cutoff:3.500A) Processing sheet with id=AJ1, first strand: chain 'I' and resid 1167 through 1168 Processing sheet with id=AJ2, first strand: chain 'I' and resid 1167 through 1168 removed outlier: 6.853A pdb=" N ARG I1087 " --> pdb=" O GLU I1224 " (cutoff:3.500A) Processing sheet with id=AJ3, first strand: chain 'I' and resid 1255 through 1259 removed outlier: 3.742A pdb=" N GLU I1256 " --> pdb=" O ALA I1273 " (cutoff:3.500A) Processing sheet with id=AJ4, first strand: chain 'I' and resid 1459 through 1463 removed outlier: 3.699A pdb=" N UNK I1287 " --> pdb=" O UNK I1460 " (cutoff:3.500A) Processing sheet with id=AJ5, first strand: chain 'I' and resid 1293 through 1294 Processing sheet with id=AJ6, first strand: chain 'I' and resid 1734 through 1736 Processing sheet with id=AJ7, first strand: chain 'I' and resid 4178 through 4184 Processing sheet with id=AJ8, first strand: chain 'J' and resid 21 through 23 Processing sheet with id=AJ9, first strand: chain 'J' and resid 27 through 30 4927 hydrogen bonds defined for protein. 14304 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: 79.30 Time building geometry restraints manager: 38.73 seconds NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Histogram of bond lengths: 1.21 - 1.33: 38225 1.33 - 1.46: 21549 1.46 - 1.58: 62218 1.58 - 1.70: 0 1.70 - 1.82: 1020 Bond restraints: 123012 Sorted by residual: bond pdb=" CA GLY G 691 " pdb=" C GLY G 691 " ideal model delta sigma weight residual 1.515 1.541 -0.027 6.20e-03 2.60e+04 1.88e+01 bond pdb=" CA GLY E 691 " pdb=" C GLY E 691 " ideal model delta sigma weight residual 1.515 1.540 -0.026 6.20e-03 2.60e+04 1.70e+01 bond pdb=" C ARG E4175 " pdb=" N PRO E4176 " ideal model delta sigma weight residual 1.336 1.386 -0.051 1.23e-02 6.61e+03 1.69e+01 bond pdb=" C ARG I4175 " pdb=" N PRO I4176 " ideal model delta sigma weight residual 1.336 1.386 -0.051 1.23e-02 6.61e+03 1.69e+01 bond pdb=" CA GLY B 691 " pdb=" C GLY B 691 " ideal model delta sigma weight residual 1.515 1.540 -0.025 6.20e-03 2.60e+04 1.65e+01 ... (remaining 123007 not shown) Histogram of bond angle deviations from ideal: 97.04 - 105.30: 2516 105.30 - 113.56: 69527 113.56 - 121.82: 66679 121.82 - 130.08: 28260 130.08 - 138.34: 738 Bond angle restraints: 167720 Sorted by residual: angle pdb=" N PRO E4872 " pdb=" CA PRO E4872 " pdb=" C PRO E4872 " ideal model delta sigma weight residual 113.65 104.64 9.01 1.35e+00 5.49e-01 4.45e+01 angle pdb=" N PRO B4872 " pdb=" CA PRO B4872 " pdb=" C PRO B4872 " ideal model delta sigma weight residual 113.65 104.72 8.93 1.35e+00 5.49e-01 4.38e+01 angle pdb=" N PRO G4872 " pdb=" CA PRO G4872 " pdb=" C PRO G4872 " ideal model delta sigma weight residual 113.53 104.55 8.98 1.39e+00 5.18e-01 4.17e+01 angle pdb=" N PRO I4872 " pdb=" CA PRO I4872 " pdb=" C PRO I4872 " ideal model delta sigma weight residual 113.53 104.65 8.88 1.39e+00 5.18e-01 4.09e+01 angle pdb=" C ILE F 7 " pdb=" N SER F 8 " pdb=" CA SER F 8 " ideal model delta sigma weight residual 120.58 128.40 -7.82 1.32e+00 5.74e-01 3.51e+01 ... (remaining 167715 not shown) Histogram of dihedral angle deviations from ideal: 0.00 - 15.53: 69545 15.53 - 31.05: 2908 31.05 - 46.58: 803 46.58 - 62.11: 68 62.11 - 77.63: 100 Dihedral angle restraints: 73424 sinusoidal: 23656 harmonic: 49768 Sorted by residual: dihedral pdb=" CA GLY B2343 " pdb=" C GLY B2343 " pdb=" N GLU B2344 " pdb=" CA GLU B2344 " ideal model delta harmonic sigma weight residual -180.00 -122.46 -57.54 0 5.00e+00 4.00e-02 1.32e+02 dihedral pdb=" CA GLY G2343 " pdb=" C GLY G2343 " pdb=" N GLU G2344 " pdb=" CA GLU G2344 " ideal model delta harmonic sigma weight residual -180.00 -122.46 -57.54 0 5.00e+00 4.00e-02 1.32e+02 dihedral pdb=" CA GLY I2343 " pdb=" C GLY I2343 " pdb=" N GLU I2344 " pdb=" CA GLU I2344 " ideal model delta harmonic sigma weight residual 180.00 -122.47 -57.53 0 5.00e+00 4.00e-02 1.32e+02 ... (remaining 73421 not shown) Histogram of chiral volume deviations from ideal: 0.000 - 0.080: 17331 0.080 - 0.160: 2051 0.160 - 0.240: 190 0.240 - 0.320: 12 0.320 - 0.400: 16 Chirality restraints: 19600 Sorted by residual: chirality pdb=" CG LEU I2155 " pdb=" CB LEU I2155 " pdb=" CD1 LEU I2155 " pdb=" CD2 LEU I2155 " both_signs ideal model delta sigma weight residual False -2.59 -2.19 -0.40 2.00e-01 2.50e+01 4.00e+00 chirality pdb=" CG LEU G2155 " pdb=" CB LEU G2155 " pdb=" CD1 LEU G2155 " pdb=" CD2 LEU G2155 " both_signs ideal model delta sigma weight residual False -2.59 -2.19 -0.40 2.00e-01 2.50e+01 3.97e+00 chirality pdb=" CG LEU E2155 " pdb=" CB LEU E2155 " pdb=" CD1 LEU E2155 " pdb=" CD2 LEU E2155 " both_signs ideal model delta sigma weight residual False -2.59 -2.19 -0.40 2.00e-01 2.50e+01 3.97e+00 ... (remaining 19597 not shown) Planarity restraints: 22092 Sorted by residual: delta sigma weight rms_deltas residual plane pdb=" C VAL I4666 " -0.073 5.00e-02 4.00e+02 1.11e-01 1.99e+01 pdb=" N PRO I4667 " 0.193 5.00e-02 4.00e+02 pdb=" CA PRO I4667 " -0.058 5.00e-02 4.00e+02 pdb=" CD PRO I4667 " -0.061 5.00e-02 4.00e+02 delta sigma weight rms_deltas residual plane pdb=" C VAL B4666 " 0.073 5.00e-02 4.00e+02 1.11e-01 1.97e+01 pdb=" N PRO B4667 " -0.192 5.00e-02 4.00e+02 pdb=" CA PRO B4667 " 0.058 5.00e-02 4.00e+02 pdb=" CD PRO B4667 " 0.061 5.00e-02 4.00e+02 delta sigma weight rms_deltas residual plane pdb=" C VAL E4666 " 0.073 5.00e-02 4.00e+02 1.11e-01 1.97e+01 pdb=" N PRO E4667 " -0.192 5.00e-02 4.00e+02 pdb=" CA PRO E4667 " 0.058 5.00e-02 4.00e+02 pdb=" CD PRO E4667 " 0.061 5.00e-02 4.00e+02 ... (remaining 22089 not shown) Histogram of nonbonded interaction distances: 1.37 - 2.08: 14 2.08 - 2.78: 30547 2.78 - 3.49: 167609 3.49 - 4.19: 286669 4.19 - 4.90: 469826 Nonbonded interactions: 954665 Sorted by model distance: nonbonded pdb=" O UNK E3557 " pdb=" CB UNK E3561 " model vdw 1.373 3.440 nonbonded pdb=" CB UNK E1297 " pdb=" O UNK E1452 " model vdw 1.373 3.440 nonbonded pdb=" O UNK I3557 " pdb=" CB UNK I3561 " model vdw 1.374 3.440 nonbonded pdb=" O UNK B3557 " pdb=" CB UNK B3561 " model vdw 1.374 3.440 nonbonded pdb=" CB UNK I1297 " pdb=" O UNK I1452 " model vdw 1.374 3.440 ... (remaining 954660 not shown) NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Find NCS groups from input model Found NCS groups: ncs_group { reference = chain 'A' selection = chain 'F' selection = chain 'H' selection = chain 'J' } ncs_group { reference = chain 'B' selection = chain 'E' selection = chain 'G' selection = chain 'I' } Set up NCS constraints Number of NCS constrained groups: 2 pdb_interpretation.ncs_group { reference = chain 'A' selection = chain 'F' selection = chain 'H' selection = chain 'J' } pdb_interpretation.ncs_group { reference = chain 'B' selection = chain 'E' selection = chain 'G' selection = chain 'I' } Set refine NCS operators NCS operators will be refined. Adjust number of macro_cycles Number of macro_cycles: 10 Reset NCS operators Extract rigid body selections Check and reset occupancies Occupancies: min=1.00 max=1.00 mean=1.00 Load rotamer database and sin/cos tables Set ADP refinement strategy ADPs will be refined as group one per residue Make a string to write initial .geo file Internal consistency checks Time: Set random seed: 0.000 Set model cs if undefined: 0.000 Decide on map wrapping: 0.000 Normalize map: mean=0, sd=1: 2.380 Set stop_for_unknowns flag: 0.000 Assert model is a single copy model: 0.000 Assert all atoms have isotropic ADPs: 0.000 Construct map_model_manager: 0.070 Extract box with map and model: 17.510 Check model and map are aligned: 1.330 Set scattering table: 0.830 Process input model: 288.210 Find NCS groups from input model: 6.510 Set up NCS constraints: 0.590 Set refine NCS operators: 0.000 Adjust number of macro_cycles: 0.000 Reset NCS operators: 0.040 Extract rigid body selections: 0.000 Check and reset occupancies: 0.010 Load rotamer database and sin/cos tables:2.200 Set ADP refinement strategy: 0.000 Make a string to write initial .geo file:0.000 Internal consistency checks: 0.000 Total: 319.680 ------------------------------------------------------------------------------- Set refinement monitor ********************** ------------------------------------------------------------------------------- Setup refinement engine *********************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.3291 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 : 0.007 0.092 123012 Z= 0.434 Angle : 1.078 13.715 167720 Z= 0.591 Chirality : 0.052 0.400 19600 Planarity : 0.007 0.111 22092 Dihedral : 10.580 77.631 41064 Min Nonbonded Distance : 1.373 Molprobity Statistics. All-atom Clashscore : 9.90 Ramachandran Plot: Outliers : 0.26 % Allowed : 11.25 % Favored : 88.48 % Rotamer: Outliers : 0.62 % Allowed : 3.01 % Favored : 96.37 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.61 % Cis-general : 0.00 % Twisted Proline : 3.05 % Twisted General : 0.45 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -4.67 (0.06), residues: 13356 helix: -3.14 (0.05), residues: 5396 sheet: -2.83 (0.14), residues: 1088 loop : -3.13 (0.06), residues: 6872 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.043 0.004 TRP E5019 HIS 0.015 0.003 HIS H 87 PHE 0.035 0.004 PHE B4575 TYR 0.034 0.003 TYR E4863 ARG 0.022 0.001 ARG I4913 *********************** REFINEMENT MACRO_CYCLE 1 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 26712 Ramachandran restraints generated. 13356 Oldfield, 0 Emsley, 13356 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 26712 Ramachandran restraints generated. 13356 Oldfield, 0 Emsley, 13356 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Update NCS operators ******************** ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 10 residues out of total 88 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 10 time to evaluate : 0.086 Fit side-chains revert: symmetry clash revert: symmetry clash outliers start: 0 outliers final: 0 residues processed: 10 average time/residue: 0.3476 time to fit residues: 3.6693 Evaluate side-chains 4 residues out of total 88 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 4 time to evaluate : 0.075 Evaluate side-chains 458 residues out of total 2839 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 16 poor density : 442 time to evaluate : 2.259 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: B 941 MET cc_start: -0.1668 (tpp) cc_final: -0.1944 (tpp) REVERT: B 2440 MET cc_start: 0.4030 (mmp) cc_final: 0.3803 (mmp) REVERT: B 3663 LEU cc_start: 0.5497 (OUTLIER) cc_final: 0.5230 (mp) REVERT: B 3723 MET cc_start: 0.5398 (mtt) cc_final: 0.5099 (mtt) REVERT: B 3916 ILE cc_start: 0.6639 (mt) cc_final: 0.6210 (mm) REVERT: B 3920 VAL cc_start: 0.7896 (t) cc_final: 0.7253 (t) REVERT: B 4045 VAL cc_start: 0.8056 (t) cc_final: 0.7775 (p) REVERT: B 4233 LEU cc_start: 0.7560 (pp) cc_final: 0.7339 (pp) REVERT: B 4567 LEU cc_start: 0.6419 (tp) cc_final: 0.6094 (tp) REVERT: B 4769 MET cc_start: 0.5662 (ptm) cc_final: 0.3836 (pmm) REVERT: B 4952 GLU cc_start: 0.7271 (pp20) cc_final: 0.6746 (pp20) outliers start: 16 outliers final: 2 residues processed: 456 average time/residue: 0.3651 time to fit residues: 256.0234 Evaluate side-chains 264 residues out of total 2839 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 3 poor density : 261 time to evaluate : 2.026 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=5.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 40 random chunks: chunk 33 optimal weight: 0.0770 chunk 30 optimal weight: 20.0000 chunk 16 optimal weight: 6.9990 chunk 10 optimal weight: 20.0000 chunk 20 optimal weight: 50.0000 chunk 31 optimal weight: 3.9990 chunk 12 optimal weight: 10.0000 chunk 19 optimal weight: 0.0060 chunk 23 optimal weight: 20.0000 chunk 36 optimal weight: 30.0000 chunk 11 optimal weight: 2.9990 overall best weight: 2.8160 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... No N/Q/H corrections needed this macrocycle Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: B 44 ASN B 57 ASN ** B 111 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B 113 HIS B 218 HIS ** B 273 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 379 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B 383 HIS ** B 395 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 405 HIS B 413 GLN B 460 GLN ** B 479 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 582 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 639 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B 797 HIS ** B 838 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B 877 ASN ** B1035 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B1158 ASN B1231 GLN B1598 GLN B1660 GLN ** B1679 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B1691 GLN ** B1693 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B1719 HIS B2005 GLN B2100 HIS B2125 HIS B2127 GLN B2169 GLN ** B2188 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B2884 ASN ** B3766 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3767 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3809 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B3830 GLN B3882 GLN ** B3889 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3960 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B3970 GLN ** B3994 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B4020 GLN B4037 ASN ** B4054 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B4109 GLN B4130 ASN B4886 HIS ** B4984 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B5003 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 30 ------------------------------------------------------------------------------- Update NCS operators ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.3361 moved from start: 0.2755 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.051 123012 Z= 0.207 Angle : 0.717 12.227 167720 Z= 0.368 Chirality : 0.040 0.277 19600 Planarity : 0.006 0.085 22092 Dihedral : 6.247 53.153 18056 Min Nonbonded Distance : 2.054 Molprobity Statistics. All-atom Clashscore : 16.30 Ramachandran Plot: Outliers : 0.09 % Allowed : 9.73 % Favored : 90.18 % Rotamer: Outliers : 0.27 % Allowed : 3.33 % Favored : 96.40 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.61 % Cis-general : 0.00 % Twisted Proline : 3.05 % Twisted General : 0.22 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -3.55 (0.06), residues: 13356 helix: -1.94 (0.06), residues: 5880 sheet: -2.20 (0.15), residues: 1040 loop : -2.77 (0.07), residues: 6436 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.026 0.002 TRP E3935 HIS 0.008 0.001 HIS B1665 PHE 0.022 0.002 PHE G4922 TYR 0.061 0.002 TYR G4580 ARG 0.026 0.001 ARG I 76 *********************** REFINEMENT MACRO_CYCLE 2 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 26712 Ramachandran restraints generated. 13356 Oldfield, 0 Emsley, 13356 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 26712 Ramachandran restraints generated. 13356 Oldfield, 0 Emsley, 13356 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Update NCS operators ******************** ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 5 residues out of total 88 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 5 time to evaluate : 0.075 Fit side-chains revert: symmetry clash revert: symmetry clash outliers start: 0 outliers final: 0 residues processed: 5 average time/residue: 0.3778 time to fit residues: 2.0451 Evaluate side-chains 4 residues out of total 88 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 4 time to evaluate : 0.077 Evaluate side-chains 351 residues out of total 2839 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 7 poor density : 344 time to evaluate : 2.287 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: B 334 MET cc_start: 0.1466 (tpt) cc_final: 0.1233 (tpt) REVERT: B 924 MET cc_start: 0.0675 (ptt) cc_final: 0.0286 (ptt) REVERT: B 941 MET cc_start: -0.1616 (tpp) cc_final: -0.1999 (tpp) REVERT: B 3763 LEU cc_start: 0.7963 (mp) cc_final: 0.7548 (tp) REVERT: B 3905 THR cc_start: 0.6532 (t) cc_final: 0.6324 (m) REVERT: B 3920 VAL cc_start: 0.7179 (t) cc_final: 0.6340 (t) REVERT: B 4045 VAL cc_start: 0.7966 (t) cc_final: 0.6942 (p) REVERT: B 4048 LEU cc_start: 0.7473 (mt) cc_final: 0.7212 (mt) REVERT: B 4769 MET cc_start: 0.5650 (ptm) cc_final: 0.3896 (pmm) REVERT: B 4796 MET cc_start: 0.7222 (tpt) cc_final: 0.7019 (tpt) REVERT: B 4816 ILE cc_start: 0.6173 (mt) cc_final: 0.5888 (mt) REVERT: B 4952 GLU cc_start: 0.6275 (pp20) cc_final: 0.5766 (pp20) outliers start: 7 outliers final: 3 residues processed: 348 average time/residue: 0.3496 time to fit residues: 190.8274 Evaluate side-chains 263 residues out of total 2839 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 3 poor density : 260 time to evaluate : 2.274 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 40 random chunks: chunk 30 optimal weight: 40.0000 chunk 24 optimal weight: 0.3980 chunk 10 optimal weight: 30.0000 chunk 36 optimal weight: 5.9990 chunk 39 optimal weight: 3.9990 chunk 32 optimal weight: 10.0000 chunk 12 optimal weight: 7.9990 chunk 29 optimal weight: 0.0020 chunk 35 optimal weight: 8.9990 chunk 27 optimal weight: 8.9990 chunk 18 optimal weight: 4.9990 overall best weight: 3.0794 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 87 HIS Total number of N/Q/H flips: 1 Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: B 23 GLN B 44 ASN ** B 111 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B 203 ASN ** B 273 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 379 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 395 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 479 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 495 ASN ** B 582 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 639 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B 765 GLN ** B 877 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1035 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B1231 GLN ** B1679 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B1775 HIS B1776 HIS B1837 GLN B2125 HIS ** B3766 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3767 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3781 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3809 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B3897 ASN B3963 ASN B3970 GLN ** B3994 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4043 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4054 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B4728 HIS B4833 ASN ** B4984 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B5003 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 15 ------------------------------------------------------------------------------- Update NCS operators ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.3396 moved from start: 0.3211 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.084 123012 Z= 0.263 Angle : 0.891 19.615 167720 Z= 0.448 Chirality : 0.048 0.430 19600 Planarity : 0.011 0.415 22092 Dihedral : 6.456 78.579 18056 Min Nonbonded Distance : 2.014 Molprobity Statistics. All-atom Clashscore : 19.79 Ramachandran Plot: Outliers : 0.21 % Allowed : 11.08 % Favored : 88.71 % Rotamer: Outliers : 0.31 % Allowed : 3.45 % Favored : 96.24 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.61 % Cis-general : 0.00 % Twisted Proline : 3.05 % Twisted General : 0.19 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -3.56 (0.06), residues: 13356 helix: -1.89 (0.06), residues: 5800 sheet: -2.07 (0.16), residues: 1024 loop : -2.87 (0.07), residues: 6532 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.056 0.005 TRP G3986 HIS 0.052 0.004 HIS G3994 PHE 0.090 0.004 PHE E4125 TYR 0.070 0.004 TYR I 411 ARG 0.059 0.002 ARG B2126 *********************** REFINEMENT MACRO_CYCLE 3 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 26712 Ramachandran restraints generated. 13356 Oldfield, 0 Emsley, 13356 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 26712 Ramachandran restraints generated. 13356 Oldfield, 0 Emsley, 13356 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Update NCS operators ******************** ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 5 residues out of total 88 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 5 time to evaluate : 0.096 Fit side-chains revert: symmetry clash outliers start: 0 outliers final: 0 residues processed: 5 average time/residue: 0.4179 time to fit residues: 2.2686 Evaluate side-chains 3 residues out of total 88 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 3 time to evaluate : 0.103 Evaluate side-chains 326 residues out of total 2839 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 8 poor density : 318 time to evaluate : 2.276 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: B 941 MET cc_start: -0.1507 (tpp) cc_final: -0.1857 (tpp) REVERT: B 3829 PHE cc_start: 0.7216 (m-80) cc_final: 0.6904 (m-80) REVERT: B 4045 VAL cc_start: 0.8181 (t) cc_final: 0.7829 (m) REVERT: B 4769 MET cc_start: 0.5475 (ptm) cc_final: 0.3885 (pmm) REVERT: B 4816 ILE cc_start: 0.6795 (mt) cc_final: 0.6571 (mt) REVERT: B 4952 GLU cc_start: 0.6222 (pp20) cc_final: 0.5955 (pp20) outliers start: 8 outliers final: 3 residues processed: 322 average time/residue: 0.3570 time to fit residues: 180.5862 Evaluate side-chains 241 residues out of total 2839 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 3 poor density : 238 time to evaluate : 2.295 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 40 random chunks: chunk 4 optimal weight: 8.9990 chunk 17 optimal weight: 3.9990 chunk 24 optimal weight: 5.9990 chunk 36 optimal weight: 0.5980 chunk 38 optimal weight: 5.9990 chunk 19 optimal weight: 0.0870 chunk 34 optimal weight: 4.9990 chunk 10 optimal weight: 30.0000 chunk 32 optimal weight: 10.0000 chunk 21 optimal weight: 9.9990 chunk 0 optimal weight: 20.0000 overall best weight: 3.1364 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... No N/Q/H corrections needed this macrocycle Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: B 44 ASN ** B 111 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 273 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 379 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 395 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 413 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 479 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 495 ASN ** B 582 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B 639 ASN B 921 ASN ** B1035 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B1231 GLN ** B1679 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B1837 GLN B2125 HIS ** B2188 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3766 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3767 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3781 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3809 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B3833 GLN ** B3897 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B3900 GLN ** B3994 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B4020 GLN ** B4043 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4054 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B4833 ASN ** B4984 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B5003 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 11 ------------------------------------------------------------------------------- Update NCS operators ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.3410 moved from start: 0.3442 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.161 123012 Z= 0.282 Angle : 0.938 25.473 167720 Z= 0.464 Chirality : 0.053 1.249 19600 Planarity : 0.010 0.207 22092 Dihedral : 6.396 47.942 18056 Min Nonbonded Distance : 2.020 Molprobity Statistics. All-atom Clashscore : 20.37 Ramachandran Plot: Outliers : 0.18 % Allowed : 11.44 % Favored : 88.38 % Rotamer: Outliers : 0.27 % Allowed : 3.02 % Favored : 96.71 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.61 % Cis-general : 0.00 % Twisted Proline : 2.44 % Twisted General : 0.19 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -3.73 (0.06), residues: 13356 helix: -2.02 (0.06), residues: 5776 sheet: -2.07 (0.16), residues: 1028 loop : -2.99 (0.07), residues: 6552 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.078 0.005 TRP I3935 HIS 0.050 0.003 HIS G4832 PHE 0.062 0.004 PHE B4923 TYR 0.056 0.004 TYR I 659 ARG 0.041 0.002 ARG I4734 *********************** REFINEMENT MACRO_CYCLE 4 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 26712 Ramachandran restraints generated. 13356 Oldfield, 0 Emsley, 13356 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 26712 Ramachandran restraints generated. 13356 Oldfield, 0 Emsley, 13356 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Update NCS operators ******************** ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 5 residues out of total 88 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 5 time to evaluate : 0.077 Fit side-chains revert: symmetry clash revert: symmetry clash outliers start: 0 outliers final: 0 residues processed: 5 average time/residue: 0.4096 time to fit residues: 2.2269 Evaluate side-chains 4 residues out of total 88 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 4 time to evaluate : 0.117 Evaluate side-chains 297 residues out of total 2839 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 7 poor density : 290 time to evaluate : 2.343 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: B 924 MET cc_start: -0.0529 (ptt) cc_final: -0.1018 (ptt) REVERT: B 941 MET cc_start: -0.1364 (tpp) cc_final: -0.1605 (tpp) REVERT: B 1730 MET cc_start: 0.3943 (ptt) cc_final: 0.3731 (ptt) REVERT: B 3978 GLN cc_start: 0.6006 (mm-40) cc_final: 0.5115 (mm-40) REVERT: B 4769 MET cc_start: 0.5591 (ptm) cc_final: 0.3981 (pmm) REVERT: B 4952 GLU cc_start: 0.6198 (pp20) cc_final: 0.5664 (pp20) outliers start: 7 outliers final: 1 residues processed: 292 average time/residue: 0.3707 time to fit residues: 173.3902 Evaluate side-chains 236 residues out of total 2839 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 1 poor density : 235 time to evaluate : 2.435 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=3.50 ------------------------------------------------------------------------------- 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 702, in refine_xyz self.minimization_ncs() File "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5265/modules/phenix/phenix/refinement/macro_cycle_real_space.py", line 798, in minimization_ncs ncs_groups = ncs_groups) 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 400, 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 133, in refine refine_sites = True) File "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5265/modules/cctbx_project/mmtbx/refinement/minimization_ncs_constraints.py", line 434, in __init__ ignore_line_search_failed_maxfev=True)) 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/mmtbx/refinement/minimization_ncs_constraints.py", line 459, in compute_functional_and_gradients x=self.x) File "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5265/modules/cctbx_project/mmtbx/refinement/minimization_ncs_constraints.py", line 248, in target_and_gradients grad = g_data) File "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5265/modules/cctbx_project/mmtbx/refinement/minimization_ncs_constraints.py", line 112, in restraints_target_and_grads 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: 68.3699 > 50: distance: 0 - 1: 16.581 distance: 1 - 2: 26.521 distance: 1 - 4: 19.837 distance: 2 - 3: 16.928 distance: 2 - 9: 21.290 distance: 4 - 5: 11.042 distance: 5 - 6: 4.430 distance: 6 - 8: 4.433 distance: 9 - 10: 31.114 distance: 10 - 11: 12.599 distance: 10 - 13: 25.844 distance: 11 - 12: 15.423 distance: 11 - 20: 20.819 distance: 13 - 14: 22.107 distance: 14 - 15: 4.475 distance: 15 - 16: 20.974 distance: 16 - 17: 9.357 distance: 17 - 18: 5.792 distance: 17 - 19: 11.479 distance: 20 - 21: 16.948 distance: 21 - 22: 20.699 distance: 21 - 24: 11.973 distance: 22 - 23: 29.559 distance: 22 - 25: 17.728 distance: 25 - 26: 43.913 distance: 26 - 27: 68.370 distance: 26 - 29: 46.131 distance: 27 - 28: 29.336 distance: 27 - 34: 55.409 distance: 29 - 30: 33.558 distance: 30 - 31: 16.924 distance: 31 - 32: 26.948 distance: 32 - 33: 29.495 distance: 34 - 35: 40.294 distance: 35 - 36: 34.882 distance: 35 - 38: 36.384 distance: 36 - 37: 26.722 distance: 36 - 42: 18.025 distance: 38 - 39: 16.324 distance: 39 - 40: 15.463 distance: 39 - 41: 20.578 distance: 42 - 43: 26.264 distance: 43 - 44: 12.748 distance: 43 - 46: 16.912 distance: 44 - 45: 41.858 distance: 44 - 49: 8.219 distance: 46 - 47: 23.143 distance: 46 - 48: 35.084 distance: 49 - 50: 26.517 distance: 50 - 51: 37.672 distance: 50 - 53: 16.266 distance: 51 - 52: 11.035 distance: 51 - 55: 21.675 distance: 53 - 54: 18.648 distance: 55 - 56: 33.562 distance: 56 - 57: 46.167 distance: 56 - 59: 25.028 distance: 57 - 58: 40.547 distance: 57 - 62: 47.178 distance: 59 - 60: 30.395 distance: 59 - 61: 24.039 distance: 62 - 63: 40.203 distance: 62 - 68: 41.914 distance: 63 - 64: 39.378 distance: 63 - 66: 32.985 distance: 64 - 65: 16.082 distance: 64 - 69: 17.693 distance: 66 - 67: 16.568 distance: 67 - 68: 29.237 distance: 69 - 70: 11.122 distance: 70 - 71: 14.530 distance: 70 - 73: 17.142 distance: 71 - 72: 13.490 distance: 73 - 74: 7.438 distance: 74 - 75: 7.739 distance: 74 - 76: 6.532