Starting phenix.real_space_refine on Thu Mar 14 11:07:14 2024 by dcliebschner =============================================================================== Processing files: ------------------------------------------------------------------------------- Found model, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7jmf_22392/03_2024/7jmf_22392_neut.pdb Found real_map, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7jmf_22392/03_2024/7jmf_22392.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/7jmf_22392/03_2024/7jmf_22392.map" default_real_map = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7jmf_22392/03_2024/7jmf_22392.map" model { file = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7jmf_22392/03_2024/7jmf_22392_neut.pdb" } default_model = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7jmf_22392/03_2024/7jmf_22392_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= 0.022 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 ARG 426": "NH1" <-> "NH2" Residue "B ARG 553": "NH1" <-> "NH2" 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 TYR 3642": "CD1" <-> "CD2" "CE1" <-> "CE2" 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 ARG 426": "NH1" <-> "NH2" Residue "E ARG 553": "NH1" <-> "NH2" 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 TYR 3642": "CD1" <-> "CD2" "CE1" <-> "CE2" 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 ARG 426": "NH1" <-> "NH2" Residue "G ARG 553": "NH1" <-> "NH2" 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 TYR 3642": "CD1" <-> "CD2" "CE1" <-> "CE2" 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 ARG 426": "NH1" <-> "NH2" Residue "I ARG 553": "NH1" <-> "NH2" 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 TYR 3642": "CD1" <-> "CD2" "CE1" <-> "CE2" 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 176.155 204.749 87.283 1.00 1.86 S ATOM 29541 SG CYS B4961 179.170 203.029 90.429 1.00 2.30 S ATOM 58885 SG CYS E4958 204.600 208.710 87.097 1.00 2.36 S ATOM 58910 SG CYS E4961 202.950 205.705 90.289 1.00 2.12 S ATOM 89072 SG CYS G4958 208.438 180.534 86.773 1.00 3.12 S ATOM 89097 SG CYS G4961 205.483 182.202 90.003 1.00 2.93 S ATOM A0EUZ SG CYS I4958 180.185 176.725 87.068 1.00 2.33 S ATOM A0EVO SG CYS I4961 181.917 179.692 90.254 1.00 2.86 S Time building chain proxies: 45.97, per 1000 atoms: 0.38 Number of scatterers: 120756 At special positions: 0 Unit cell: (387.795, 386.54, 208.33, 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: 34.61 Conformation dependent library (CDL) restraints added in 14.1 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 B4961 " pdb="ZN ZN B5101 " - pdb=" SG CYS B4958 " 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 E4961 " pdb="ZN ZN E5101 " - pdb=" SG CYS E4958 " pdb=" ZN G5101 " pdb="ZN ZN G5101 " - pdb=" ND1 HIS G4983 " pdb="ZN ZN G5101 " - pdb=" NE2 HIS G4978 " pdb="ZN ZN G5101 " - pdb=" SG CYS G4961 " pdb="ZN ZN G5101 " - pdb=" SG CYS G4958 " pdb=" ZN I5101 " pdb="ZN ZN I5101 " - pdb=" ND1 HIS I4983 " pdb="ZN ZN I5101 " - pdb=" NE2 HIS I4978 " pdb="ZN ZN I5101 " - pdb=" SG CYS I4961 " pdb="ZN ZN I5101 " - pdb=" SG CYS I4958 " 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: 699 helices and 103 sheets defined 60.8% alpha, 6.9% beta 0 base pairs and 0 stacking pairs defined. Time for finding SS restraints: 16.03 Creating SS restraints... Processing helix chain 'A' and resid 38 through 43 Processing helix chain 'A' and resid 56 through 65 removed outlier: 4.029A pdb=" N GLY A 62 " --> pdb=" O GLY A 58 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N ALA A 63 " --> pdb=" O PHE A 59 " (cutoff:3.500A) removed outlier: 3.628A pdb=" N ALA A 64 " --> pdb=" O GLU A 60 " (cutoff:3.500A) removed outlier: 3.559A pdb=" N GLN A 65 " --> pdb=" O GLU A 61 " (cutoff:3.500A) Processing helix chain 'A' and resid 77 through 81 removed outlier: 3.802A 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: 3.827A pdb=" N ARG B 402 " --> pdb=" O SER B 398 " (cutoff:3.500A) removed outlier: 3.534A pdb=" N LEU B 410 " --> pdb=" O SER B 406 " (cutoff:3.500A) Processing helix chain 'B' and resid 414 through 419 Processing helix chain 'B' and resid 438 through 452 removed outlier: 3.719A pdb=" N GLY B 450 " --> pdb=" O GLN B 446 " (cutoff:3.500A) Processing helix chain 'B' and resid 460 through 478 removed outlier: 3.514A pdb=" N GLN B 465 " --> pdb=" O HIS B 461 " (cutoff:3.500A) removed outlier: 3.872A pdb=" N SER B 466 " --> pdb=" O GLU B 462 " (cutoff:3.500A) removed outlier: 3.859A 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: 4.157A pdb=" N LYS B 516 " --> pdb=" O ALA B 512 " (cutoff:3.500A) removed outlier: 4.492A pdb=" N GLU B 517 " --> pdb=" O GLU B 513 " (cutoff:3.500A) removed outlier: 3.593A pdb=" N ILE B 518 " --> pdb=" O SER B 514 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N TYR B 523 " --> pdb=" O VAL B 519 " (cutoff:3.500A) removed outlier: 3.714A pdb=" N GLU B 524 " --> pdb=" O ASN B 520 " (cutoff:3.500A) removed outlier: 3.927A pdb=" N SER B 528 " --> pdb=" O GLU B 524 " (cutoff:3.500A) removed outlier: 4.029A pdb=" N LEU B 529 " --> pdb=" O LEU B 525 " (cutoff:3.500A) removed outlier: 3.548A pdb=" N ILE B 530 " --> pdb=" O LEU B 526 " (cutoff:3.500A) Processing helix chain 'B' and resid 538 through 542 removed outlier: 3.615A pdb=" N SER B 541 " --> pdb=" O ALA B 538 " (cutoff:3.500A) removed outlier: 4.102A 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: 3.856A pdb=" N VAL B 548 " --> pdb=" O LEU B 544 " (cutoff:3.500A) Processing helix chain 'B' and resid 559 through 571 removed outlier: 3.769A pdb=" N TYR B 565 " --> pdb=" O LEU B 561 " (cutoff:3.500A) removed outlier: 4.322A pdb=" N GLU B 570 " --> pdb=" O CYS B 566 " (cutoff:3.500A) removed outlier: 3.870A pdb=" N SER B 571 " --> pdb=" O VAL B 567 " (cutoff:3.500A) Processing helix chain 'B' and resid 571 through 577 removed outlier: 3.981A 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: 4.031A pdb=" N LEU B 600 " --> pdb=" O ASN B 596 " (cutoff:3.500A) removed outlier: 3.598A pdb=" N LEU B 603 " --> pdb=" O VAL B 599 " (cutoff:3.500A) removed outlier: 3.618A pdb=" N CYS B 607 " --> pdb=" O LEU B 603 " (cutoff:3.500A) removed outlier: 4.257A pdb=" N VAL B 608 " --> pdb=" O CYS B 604 " (cutoff:3.500A) Processing helix chain 'B' and resid 614 through 625 removed outlier: 3.967A pdb=" N GLN B 618 " --> pdb=" O VAL B 614 " (cutoff:3.500A) removed outlier: 3.646A pdb=" N ASP B 619 " --> pdb=" O ARG B 615 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N ILE B 621 " --> pdb=" O ASN B 617 " (cutoff:3.500A) removed outlier: 3.592A pdb=" N THR B 622 " --> pdb=" O GLN B 618 " (cutoff:3.500A) Processing helix chain 'B' and resid 864 through 889 removed outlier: 4.105A pdb=" N GLU B 872 " --> pdb=" O GLU B 868 " (cutoff:3.500A) removed outlier: 4.447A pdb=" N LYS B 873 " --> pdb=" O ARG B 869 " (cutoff:3.500A) removed outlier: 3.874A pdb=" N HIS B 879 " --> pdb=" O ALA B 875 " (cutoff:3.500A) removed outlier: 3.686A pdb=" N ARG B 886 " --> pdb=" O TRP B 882 " (cutoff:3.500A) removed outlier: 3.713A pdb=" N ILE B 887 " --> pdb=" O ALA B 883 " (cutoff:3.500A) Processing helix chain 'B' and resid 914 through 932 removed outlier: 3.636A pdb=" N LEU B 932 " --> pdb=" O THR B 928 " (cutoff:3.500A) Processing helix chain 'B' and resid 933 through 936 removed outlier: 4.097A 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 988 removed outlier: 3.616A pdb=" N LEU B 984 " --> pdb=" O ALA B 980 " (cutoff:3.500A) removed outlier: 3.905A pdb=" N ASP B 986 " --> pdb=" O THR B 982 " (cutoff:3.500A) Processing helix chain 'B' and resid 988 through 1001 removed outlier: 3.518A pdb=" N HIS B 993 " --> pdb=" O ALA B 989 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ASN B 994 " --> pdb=" O GLU B 990 " (cutoff:3.500A) removed outlier: 3.594A pdb=" N TRP B 996 " --> pdb=" O GLY B 992 " (cutoff:3.500A) Processing helix chain 'B' and resid 1028 through 1049 removed outlier: 3.558A pdb=" N LYS B1032 " --> pdb=" O ASP B1028 " (cutoff:3.500A) removed outlier: 4.521A pdb=" N GLN B1041 " --> pdb=" O ASP B1037 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N ALA B1042 " --> pdb=" O SER B1038 " (cutoff:3.500A) removed outlier: 3.957A pdb=" N VAL B1043 " --> pdb=" O LEU B1039 " (cutoff:3.500A) removed outlier: 4.112A pdb=" N ARG B1044 " --> pdb=" O CYS B1040 " (cutoff:3.500A) removed outlier: 4.128A pdb=" N THR B1045 " --> pdb=" O GLN B1041 " (cutoff:3.500A) removed outlier: 3.692A pdb=" N LEU B1046 " --> pdb=" O ALA B1042 " (cutoff:3.500A) removed outlier: 3.525A pdb=" N LEU B1047 " --> pdb=" O VAL B1043 " (cutoff:3.500A) Processing helix chain 'B' and resid 1078 through 1082 Processing helix chain 'B' and resid 1576 through 1581 removed outlier: 3.706A pdb=" N PHE B1580 " --> pdb=" O SER B1576 " (cutoff:3.500A) removed outlier: 4.207A 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: 3.601A pdb=" N ARG B1656 " --> pdb=" O GLU B1652 " (cutoff:3.500A) Processing helix chain 'B' and resid 1658 through 1674 removed outlier: 3.758A pdb=" N TYR B1670 " --> pdb=" O THR B1666 " (cutoff:3.500A) removed outlier: 4.634A pdb=" N ARG B1671 " --> pdb=" O LEU B1667 " (cutoff:3.500A) Processing helix chain 'B' and resid 1678 through 1686 removed outlier: 3.628A pdb=" N ALA B1684 " --> pdb=" O ARG B1680 " (cutoff:3.500A) removed outlier: 4.127A pdb=" N CYS B1686 " --> pdb=" O ALA B1682 " (cutoff:3.500A) Processing helix chain 'B' and resid 1691 through 1700 removed outlier: 4.188A pdb=" N LEU B1695 " --> pdb=" O GLN B1691 " (cutoff:3.500A) removed outlier: 3.937A pdb=" N LEU B1698 " --> pdb=" O LEU B1694 " (cutoff:3.500A) removed outlier: 3.814A pdb=" N GLU B1699 " --> pdb=" O LEU B1695 " (cutoff:3.500A) removed outlier: 3.751A 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: 4.201A pdb=" N LEU B1714 " --> pdb=" O GLY B1710 " (cutoff:3.500A) removed outlier: 4.649A pdb=" N ILE B1716 " --> pdb=" O TYR B1712 " (cutoff:3.500A) Processing helix chain 'B' and resid 1723 through 1732 removed outlier: 4.335A pdb=" N SER B1732 " --> pdb=" O ARG B1728 " (cutoff:3.500A) Processing helix chain 'B' and resid 1739 through 1744 Processing helix chain 'B' and resid 1804 through 1823 removed outlier: 3.565A 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: 3.780A pdb=" N GLN B1928 " --> pdb=" O GLY B1925 " (cutoff:3.500A) removed outlier: 3.737A 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: 3.918A pdb=" N TYR B1945 " --> pdb=" O ASN B1941 " (cutoff:3.500A) removed outlier: 4.001A 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: 3.775A pdb=" N GLU B1963 " --> pdb=" O ALA B1959 " (cutoff:3.500A) removed outlier: 3.809A pdb=" N ARG B1964 " --> pdb=" O ALA B1960 " (cutoff:3.500A) removed outlier: 3.529A pdb=" N TYR B1965 " --> pdb=" O PHE B1961 " (cutoff:3.500A) removed outlier: 3.868A pdb=" N VAL B1966 " --> pdb=" O ALA B1962 " (cutoff:3.500A) removed outlier: 3.581A pdb=" N ASP B1967 " --> pdb=" O GLU B1963 " (cutoff:3.500A) removed outlier: 3.874A pdb=" N LYS B1968 " --> pdb=" O ARG B1964 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N ALA B1978 " --> pdb=" O ARG B1974 " (cutoff:3.500A) Processing helix chain 'B' and resid 1989 through 1994 removed outlier: 3.820A pdb=" N ARG B1993 " --> pdb=" O ALA B1989 " (cutoff:3.500A) removed outlier: 3.871A 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: 3.731A pdb=" N ILE B2006 " --> pdb=" O PRO B2002 " (cutoff:3.500A) removed outlier: 4.121A pdb=" N ASN B2007 " --> pdb=" O GLN B2003 " (cutoff:3.500A) removed outlier: 4.331A pdb=" N HIS B2011 " --> pdb=" O ASN B2007 " (cutoff:3.500A) Processing helix chain 'B' and resid 2026 through 2042 removed outlier: 3.697A pdb=" N ASP B2030 " --> pdb=" O ASP B2026 " (cutoff:3.500A) removed outlier: 4.051A pdb=" N LEU B2031 " --> pdb=" O ILE B2027 " (cutoff:3.500A) removed outlier: 3.806A pdb=" N GLN B2032 " --> pdb=" O ARG B2028 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N LEU B2039 " --> pdb=" O HIS B2035 " (cutoff:3.500A) Processing helix chain 'B' and resid 2094 through 2108 removed outlier: 3.683A pdb=" N VAL B2103 " --> pdb=" O SER B2099 " (cutoff:3.500A) removed outlier: 3.675A pdb=" N TRP B2105 " --> pdb=" O MET B2101 " (cutoff:3.500A) Processing helix chain 'B' and resid 2113 through 2129 removed outlier: 3.679A pdb=" N VAL B2117 " --> pdb=" O SER B2113 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N LEU B2123 " --> pdb=" O ALA B2119 " (cutoff:3.500A) Processing helix chain 'B' and resid 2129 through 2138 Processing helix chain 'B' and resid 2139 through 2141 No H-bonds generated for 'chain 'B' and resid 2139 through 2141' Processing helix chain 'B' and resid 2148 through 2165 removed outlier: 4.225A pdb=" N CYS B2158 " --> pdb=" O SER B2154 " (cutoff:3.500A) removed outlier: 3.593A pdb=" N GLN B2161 " --> pdb=" O GLU B2157 " (cutoff:3.500A) Processing helix chain 'B' and resid 2171 through 2187 removed outlier: 3.631A 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: 3.870A pdb=" N MET B2198 " --> pdb=" O HIS B2194 " (cutoff:3.500A) Processing helix chain 'B' and resid 2202 through 2216 removed outlier: 3.784A pdb=" N VAL B2210 " --> pdb=" O THR B2206 " (cutoff:3.500A) removed outlier: 3.653A pdb=" N ASN B2213 " --> pdb=" O GLU B2209 " (cutoff:3.500A) Processing helix chain 'B' and resid 2230 through 2242 removed outlier: 3.728A pdb=" N TYR B2238 " --> pdb=" O ARG B2234 " (cutoff:3.500A) Processing helix chain 'B' and resid 2245 through 2252 removed outlier: 3.707A pdb=" N ASP B2252 " --> pdb=" O ARG B2248 " (cutoff:3.500A) Processing helix chain 'B' and resid 2253 through 2262 removed outlier: 4.161A pdb=" N ASN B2260 " --> pdb=" O TYR B2256 " (cutoff:3.500A) removed outlier: 3.543A pdb=" N GLY B2262 " --> pdb=" O LEU B2258 " (cutoff:3.500A) Processing helix chain 'B' and resid 2271 through 2279 removed outlier: 3.635A pdb=" N ALA B2276 " --> pdb=" O PRO B2272 " (cutoff:3.500A) removed outlier: 3.620A pdb=" N SER B2279 " --> pdb=" O VAL B2275 " (cutoff:3.500A) Processing helix chain 'B' and resid 2294 through 2304 removed outlier: 3.581A 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: 3.662A pdb=" N TYR B2331 " --> pdb=" O GLY B2327 " (cutoff:3.500A) Processing helix chain 'B' and resid 2346 through 2356 removed outlier: 4.001A pdb=" N ALA B2350 " --> pdb=" O VAL B2346 " (cutoff:3.500A) removed outlier: 5.055A pdb=" N VAL B2352 " --> pdb=" O GLU B2348 " (cutoff:3.500A) removed outlier: 3.937A pdb=" N VAL B2353 " --> pdb=" O ASN B2349 " (cutoff:3.500A) removed outlier: 3.616A pdb=" N LEU B2356 " --> pdb=" O VAL B2352 " (cutoff:3.500A) Processing helix chain 'B' and resid 2360 through 2364 Processing helix chain 'B' and resid 2375 through 2388 removed outlier: 3.695A 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 2417 through 2435 removed outlier: 4.013A pdb=" N ALA B2421 " --> pdb=" O HIS B2417 " (cutoff:3.500A) removed outlier: 3.750A pdb=" N MET B2423 " --> pdb=" O GLY B2419 " (cutoff:3.500A) removed outlier: 3.739A pdb=" N ALA B2428 " --> pdb=" O SER B2424 " (cutoff:3.500A) Processing helix chain 'B' and resid 2440 through 2445 removed outlier: 3.600A pdb=" N ALA B2445 " --> pdb=" O HIS B2441 " (cutoff:3.500A) Processing helix chain 'B' and resid 2448 through 2461 removed outlier: 3.849A pdb=" N ILE B2453 " --> pdb=" O GLU B2449 " (cutoff:3.500A) Processing helix chain 'B' and resid 2466 through 2471 removed outlier: 3.860A pdb=" N ILE B2470 " --> pdb=" O LEU B2466 " (cutoff:3.500A) Processing helix chain 'B' and resid 2502 through 2507 removed outlier: 3.771A 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 2524 through 2530 removed outlier: 3.714A pdb=" N UNK B2528 " --> pdb=" O UNK B2524 " (cutoff:3.500A) Processing helix chain 'B' and resid 2542 through 2548 removed outlier: 3.670A pdb=" N UNK B2546 " --> pdb=" O UNK B2542 " (cutoff:3.500A) Processing helix chain 'B' and resid 2552 through 2557 Processing helix chain 'B' and resid 2567 through 2581 Processing helix chain 'B' and resid 2587 through 2602 removed outlier: 3.894A pdb=" N UNK B2602 " --> pdb=" O UNK B2598 " (cutoff:3.500A) Processing helix chain 'B' and resid 2610 through 2618 removed outlier: 3.534A pdb=" N UNK B2617 " --> pdb=" O UNK B2613 " (cutoff:3.500A) removed outlier: 3.647A pdb=" N UNK B2618 " --> pdb=" O UNK B2614 " (cutoff:3.500A) Processing helix chain 'B' and resid 2626 through 2641 removed outlier: 3.911A pdb=" N UNK B2630 " --> pdb=" O UNK B2626 " (cutoff:3.500A) removed outlier: 3.989A pdb=" N UNK B2631 " --> pdb=" O UNK B2627 " (cutoff:3.500A) removed outlier: 3.567A pdb=" N UNK B2634 " --> pdb=" O UNK B2630 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N UNK B2635 " --> pdb=" O UNK B2631 " (cutoff:3.500A) removed outlier: 3.543A pdb=" N UNK B2639 " --> pdb=" O UNK B2635 " (cutoff:3.500A) removed outlier: 3.675A pdb=" N UNK B2641 " --> pdb=" O UNK B2637 " (cutoff:3.500A) Processing helix chain 'B' and resid 2650 through 2665 Processing helix chain 'B' and resid 2751 through 2773 removed outlier: 3.576A pdb=" N HIS B2763 " --> pdb=" O ALA B2759 " (cutoff:3.500A) removed outlier: 3.671A pdb=" N PHE B2768 " --> pdb=" O GLU B2764 " (cutoff:3.500A) removed outlier: 3.673A pdb=" N ASP B2769 " --> pdb=" O LYS B2765 " (cutoff:3.500A) Processing helix chain 'B' and resid 2793 through 2797 removed outlier: 3.502A pdb=" N THR B2796 " --> pdb=" O PRO B2793 " (cutoff:3.500A) removed outlier: 3.597A 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: 3.763A pdb=" N ILE B2804 " --> pdb=" O ASP B2801 " (cutoff:3.500A) Processing helix chain 'B' and resid 2809 through 2820 removed outlier: 4.004A pdb=" N ALA B2815 " --> pdb=" O GLU B2811 " (cutoff:3.500A) removed outlier: 3.910A pdb=" N MET B2816 " --> pdb=" O SER B2812 " (cutoff:3.500A) removed outlier: 3.534A pdb=" N ALA B2818 " --> pdb=" O LYS B2814 " (cutoff:3.500A) Processing helix chain 'B' and resid 2868 through 2895 removed outlier: 4.092A pdb=" N MET B2874 " --> pdb=" O GLU B2870 " (cutoff:3.500A) removed outlier: 3.550A pdb=" N GLU B2876 " --> pdb=" O GLN B2872 " (cutoff:3.500A) removed outlier: 4.107A pdb=" N TRP B2886 " --> pdb=" O TYR B2882 " (cutoff:3.500A) Processing helix chain 'B' and resid 2912 through 2932 removed outlier: 3.738A pdb=" N LYS B2916 " --> pdb=" O THR B2912 " (cutoff:3.500A) removed outlier: 3.525A pdb=" N ARG B2918 " --> pdb=" O LYS B2914 " (cutoff:3.500A) removed outlier: 3.649A pdb=" N ARG B2920 " --> pdb=" O LYS B2916 " (cutoff:3.500A) removed outlier: 3.591A pdb=" N GLU B2921 " --> pdb=" O ALA B2917 " (cutoff:3.500A) removed outlier: 3.523A 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: 4.270A pdb=" N UNK B2956 " --> pdb=" O UNK B2952 " (cutoff:3.500A) removed outlier: 3.558A pdb=" N UNK B2968 " --> pdb=" O UNK B2964 " (cutoff:3.500A) removed outlier: 3.830A pdb=" N UNK B2969 " --> pdb=" O UNK B2965 " (cutoff:3.500A) Processing helix chain 'B' and resid 2999 through 3016 removed outlier: 3.529A pdb=" N UNK B3003 " --> pdb=" O UNK B2999 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N UNK B3004 " --> pdb=" O UNK B3000 " (cutoff:3.500A) removed outlier: 3.542A pdb=" N UNK B3006 " --> pdb=" O UNK B3002 " (cutoff:3.500A) removed outlier: 3.704A pdb=" N UNK B3009 " --> pdb=" O UNK B3005 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N UNK B3010 " --> pdb=" O UNK B3006 " (cutoff:3.500A) removed outlier: 3.963A 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: 3.603A pdb=" N UNK B3037 " --> pdb=" O UNK B3033 " (cutoff:3.500A) removed outlier: 3.575A pdb=" N UNK B3040 " --> pdb=" O UNK B3036 " (cutoff:3.500A) Processing helix chain 'B' and resid 3052 through 3058 removed outlier: 4.019A pdb=" N UNK B3056 " --> pdb=" O UNK B3052 " (cutoff:3.500A) Processing helix chain 'B' and resid 3058 through 3063 removed outlier: 4.251A 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 removed outlier: 3.577A pdb=" N UNK B3155 " --> pdb=" O UNK B3151 " (cutoff:3.500A) Processing helix chain 'B' and resid 3175 through 3186 removed outlier: 3.723A pdb=" N UNK B3182 " --> pdb=" O UNK B3178 " (cutoff:3.500A) Processing helix chain 'B' and resid 3198 through 3212 removed outlier: 3.596A pdb=" N UNK B3205 " --> pdb=" O UNK B3201 " (cutoff:3.500A) Processing helix chain 'B' and resid 3224 through 3230 removed outlier: 3.869A pdb=" N UNK B3228 " --> pdb=" O UNK B3224 " (cutoff:3.500A) Processing helix chain 'B' and resid 3248 through 3254 removed outlier: 3.557A pdb=" N UNK B3252 " --> pdb=" O UNK B3248 " (cutoff:3.500A) Processing helix chain 'B' and resid 3271 through 3285 removed outlier: 4.295A pdb=" N UNK B3282 " --> pdb=" O UNK B3278 " (cutoff:3.500A) removed outlier: 3.833A pdb=" N UNK B3284 " --> pdb=" O UNK B3280 " (cutoff:3.500A) Processing helix chain 'B' and resid 3301 through 3304 Processing helix chain 'B' and resid 3305 through 3310 Processing helix chain 'B' and resid 3316 through 3331 removed outlier: 3.583A pdb=" N UNK B3321 " --> pdb=" O UNK B3317 " (cutoff:3.500A) removed outlier: 3.978A pdb=" N UNK B3323 " --> pdb=" O UNK B3319 " (cutoff:3.500A) removed outlier: 4.637A pdb=" N UNK B3324 " --> pdb=" O UNK B3320 " (cutoff:3.500A) removed outlier: 3.597A pdb=" N UNK B3330 " --> pdb=" O UNK B3326 " (cutoff:3.500A) Processing helix chain 'B' and resid 3344 through 3349 Processing helix chain 'B' and resid 3361 through 3388 Processing helix chain 'B' and resid 3399 through 3409 removed outlier: 3.887A pdb=" N UNK B3405 " --> pdb=" O UNK B3401 " (cutoff:3.500A) removed outlier: 3.719A pdb=" N UNK B3407 " --> pdb=" O UNK B3403 " (cutoff:3.500A) removed outlier: 4.044A pdb=" N UNK B3409 " --> pdb=" O UNK B3405 " (cutoff:3.500A) Processing helix chain 'B' and resid 3410 through 3425 removed outlier: 3.871A pdb=" N UNK B3416 " --> pdb=" O UNK B3412 " (cutoff:3.500A) removed outlier: 3.620A pdb=" N UNK B3417 " --> pdb=" O UNK B3413 " (cutoff:3.500A) removed outlier: 4.209A pdb=" N UNK B3420 " --> pdb=" O UNK B3416 " (cutoff:3.500A) removed outlier: 3.527A 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: 3.501A pdb=" N UNK B3468 " --> pdb=" O UNK B3464 " (cutoff:3.500A) Processing helix chain 'B' and resid 3518 through 3521 removed outlier: 3.566A 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: 3.650A pdb=" N UNK B3529 " --> pdb=" O UNK B3525 " (cutoff:3.500A) Processing helix chain 'B' and resid 3551 through 3560 Processing helix chain 'B' and resid 3574 through 3582 removed outlier: 3.609A pdb=" N UNK B3579 " --> pdb=" O UNK B3575 " (cutoff:3.500A) removed outlier: 4.745A pdb=" N UNK B3580 " --> pdb=" O UNK B3576 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N UNK B3582 " --> pdb=" O UNK B3578 " (cutoff:3.500A) Processing helix chain 'B' and resid 3588 through 3611 removed outlier: 4.097A pdb=" N UNK B3592 " --> pdb=" O UNK B3588 " (cutoff:3.500A) removed outlier: 3.549A pdb=" N UNK B3593 " --> pdb=" O UNK B3589 " (cutoff:3.500A) removed outlier: 3.923A pdb=" N UNK B3595 " --> pdb=" O UNK B3591 " (cutoff:3.500A) removed outlier: 3.694A pdb=" N UNK B3598 " --> pdb=" O UNK B3594 " (cutoff:3.500A) removed outlier: 3.934A pdb=" N UNK B3600 " --> pdb=" O UNK B3596 " (cutoff:3.500A) removed outlier: 3.881A pdb=" N UNK B3601 " --> pdb=" O UNK B3597 " (cutoff:3.500A) removed outlier: 3.687A pdb=" N UNK B3610 " --> pdb=" O UNK B3606 " (cutoff:3.500A) removed outlier: 3.884A pdb=" N UNK B3611 " --> pdb=" O UNK B3607 " (cutoff:3.500A) Processing helix chain 'B' and resid 3645 through 3656 removed outlier: 3.874A 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: 3.646A pdb=" N ASP B3676 " --> pdb=" O ARG B3672 " (cutoff:3.500A) removed outlier: 3.887A pdb=" N LEU B3677 " --> pdb=" O MET B3673 " (cutoff:3.500A) removed outlier: 3.862A 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: 3.646A pdb=" N ALA B3709 " --> pdb=" O PHE B3705 " (cutoff:3.500A) removed outlier: 3.916A pdb=" N THR B3711 " --> pdb=" O ARG B3707 " (cutoff:3.500A) Processing helix chain 'B' and resid 3719 through 3738 removed outlier: 3.907A pdb=" N GLU B3736 " --> pdb=" O SER B3732 " (cutoff:3.500A) Processing helix chain 'B' and resid 3755 through 3770 removed outlier: 4.049A pdb=" N GLU B3759 " --> pdb=" O GLU B3755 " (cutoff:3.500A) removed outlier: 3.852A pdb=" N LYS B3760 " --> pdb=" O LYS B3756 " (cutoff:3.500A) removed outlier: 3.536A pdb=" N LEU B3764 " --> pdb=" O LYS B3760 " (cutoff:3.500A) removed outlier: 4.198A pdb=" N GLN B3767 " --> pdb=" O LEU B3763 " (cutoff:3.500A) removed outlier: 4.122A pdb=" N SER B3768 " --> pdb=" O LEU B3764 " (cutoff:3.500A) Processing helix chain 'B' and resid 3771 through 3784 removed outlier: 3.570A pdb=" N ALA B3775 " --> pdb=" O HIS B3771 " (cutoff:3.500A) removed outlier: 4.047A pdb=" N GLU B3777 " --> pdb=" O ARG B3773 " (cutoff:3.500A) removed outlier: 3.846A pdb=" N MET B3778 " --> pdb=" O GLY B3774 " (cutoff:3.500A) removed outlier: 3.718A pdb=" N VAL B3779 " --> pdb=" O ALA B3775 " (cutoff:3.500A) removed outlier: 5.463A pdb=" N LEU B3780 " --> pdb=" O ALA B3776 " (cutoff:3.500A) Processing helix chain 'B' and resid 3791 through 3805 removed outlier: 4.022A pdb=" N LYS B3799 " --> pdb=" O SER B3795 " (cutoff:3.500A) removed outlier: 3.618A pdb=" N LEU B3800 " --> pdb=" O SER B3796 " (cutoff:3.500A) removed outlier: 3.581A pdb=" N LEU B3805 " --> pdb=" O GLY B3801 " (cutoff:3.500A) Processing helix chain 'B' and resid 3809 through 3824 Processing helix chain 'B' and resid 3828 through 3838 removed outlier: 3.531A pdb=" N ILE B3832 " --> pdb=" O PHE B3828 " (cutoff:3.500A) Processing helix chain 'B' and resid 3843 through 3854 removed outlier: 3.610A pdb=" N LYS B3852 " --> pdb=" O GLU B3848 " (cutoff:3.500A) Processing helix chain 'B' and resid 3877 through 3890 removed outlier: 4.396A pdb=" N ASP B3883 " --> pdb=" O GLU B3879 " (cutoff:3.500A) removed outlier: 3.508A pdb=" N ARG B3886 " --> pdb=" O GLN B3882 " (cutoff:3.500A) removed outlier: 3.597A pdb=" N PHE B3887 " --> pdb=" O ASP B3883 " (cutoff:3.500A) removed outlier: 3.612A pdb=" N LEU B3888 " --> pdb=" O LEU B3884 " (cutoff:3.500A) removed outlier: 3.559A pdb=" N LEU B3890 " --> pdb=" O ARG B3886 " (cutoff:3.500A) Processing helix chain 'B' and resid 3898 through 3903 Processing helix chain 'B' and resid 3914 through 3932 removed outlier: 3.869A pdb=" N CYS B3918 " --> pdb=" O ASN B3914 " (cutoff:3.500A) removed outlier: 3.544A pdb=" N GLU B3928 " --> pdb=" O LEU B3924 " (cutoff:3.500A) Processing helix chain 'B' and resid 3932 through 3938 removed outlier: 4.016A pdb=" N TYR B3936 " --> pdb=" O ASP B3932 " (cutoff:3.500A) removed outlier: 3.888A pdb=" N TYR B3937 " --> pdb=" O PHE B3933 " (cutoff:3.500A) Processing helix chain 'B' and resid 3944 through 3970 removed outlier: 3.668A pdb=" N LYS B3953 " --> pdb=" O ARG B3949 " (cutoff:3.500A) removed outlier: 4.778A pdb=" N ALA B3954 " --> pdb=" O ASN B3950 " (cutoff:3.500A) removed outlier: 3.538A pdb=" N MET B3955 " --> pdb=" O PHE B3951 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N LYS B3959 " --> pdb=" O MET B3955 " (cutoff:3.500A) removed outlier: 3.913A pdb=" N GLN B3960 " --> pdb=" O SER B3956 " (cutoff:3.500A) removed outlier: 3.551A pdb=" N GLU B3967 " --> pdb=" O ASN B3963 " (cutoff:3.500A) removed outlier: 3.656A pdb=" N TYR B3968 " --> pdb=" O SER B3964 " (cutoff:3.500A) removed outlier: 3.895A pdb=" N ILE B3969 " --> pdb=" O LEU B3965 " (cutoff:3.500A) Processing helix chain 'B' and resid 3973 through 3982 removed outlier: 3.582A pdb=" N HIS B3982 " --> pdb=" O GLN B3978 " (cutoff:3.500A) Processing helix chain 'B' and resid 3984 through 4005 removed outlier: 3.689A pdb=" N ALA B3988 " --> pdb=" O ARG B3984 " (cutoff:3.500A) removed outlier: 3.879A pdb=" N GLY B3991 " --> pdb=" O ASP B3987 " (cutoff:3.500A) removed outlier: 3.840A pdb=" N PHE B3992 " --> pdb=" O ALA B3988 " (cutoff:3.500A) removed outlier: 4.058A pdb=" N LEU B3993 " --> pdb=" O VAL B3989 " (cutoff:3.500A) removed outlier: 3.502A pdb=" N HIS B3994 " --> pdb=" O VAL B3990 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N HIS B3998 " --> pdb=" O HIS B3994 " (cutoff:3.500A) removed outlier: 4.172A pdb=" N MET B4000 " --> pdb=" O PHE B3996 " (cutoff:3.500A) removed outlier: 3.598A pdb=" N ALA B4004 " --> pdb=" O MET B4000 " (cutoff:3.500A) removed outlier: 3.958A pdb=" N GLN B4005 " --> pdb=" O MET B4001 " (cutoff:3.500A) Processing helix chain 'B' and resid 4006 through 4008 No H-bonds generated for 'chain 'B' and resid 4006 through 4008' Processing helix chain 'B' and resid 4009 through 4032 removed outlier: 4.247A pdb=" N MET B4026 " --> pdb=" O ASP B4022 " (cutoff:3.500A) removed outlier: 3.638A pdb=" N LEU B4027 " --> pdb=" O MET B4023 " (cutoff:3.500A) removed outlier: 4.004A pdb=" N LEU B4031 " --> pdb=" O LEU B4027 " (cutoff:3.500A) removed outlier: 3.569A pdb=" N GLU B4032 " --> pdb=" O LEU B4028 " (cutoff:3.500A) Processing helix chain 'B' and resid 4039 through 4051 removed outlier: 3.799A pdb=" N ASP B4046 " --> pdb=" O ARG B4042 " (cutoff:3.500A) removed outlier: 3.652A pdb=" N SER B4051 " --> pdb=" O MET B4047 " (cutoff:3.500A) Processing helix chain 'B' and resid 4051 through 4063 removed outlier: 3.619A pdb=" N LYS B4060 " --> pdb=" O GLU B4056 " (cutoff:3.500A) removed outlier: 4.089A pdb=" N PHE B4061 " --> pdb=" O MET B4057 " (cutoff:3.500A) removed outlier: 3.696A pdb=" N PHE B4062 " --> pdb=" O ILE B4058 " (cutoff:3.500A) Processing helix chain 'B' and resid 4067 through 4072 Processing helix chain 'B' and resid 4074 through 4081 removed outlier: 4.222A pdb=" N TYR B4080 " --> pdb=" O ALA B4076 " (cutoff:3.500A) removed outlier: 3.997A pdb=" N VAL B4081 " --> pdb=" O PHE B4077 " (cutoff:3.500A) Processing helix chain 'B' and resid 4090 through 4100 removed outlier: 3.597A 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: 3.722A pdb=" N MET B4122 " --> pdb=" O ASP B4118 " (cutoff:3.500A) Processing helix chain 'B' and resid 4124 through 4132 removed outlier: 3.931A pdb=" N ARG B4131 " --> pdb=" O GLU B4127 " (cutoff:3.500A) removed outlier: 3.842A pdb=" N PHE B4132 " --> pdb=" O PHE B4128 " (cutoff:3.500A) Processing helix chain 'B' and resid 4136 through 4154 removed outlier: 3.588A pdb=" N PHE B4141 " --> pdb=" O ARG B4137 " (cutoff:3.500A) removed outlier: 3.610A pdb=" N LEU B4146 " --> pdb=" O ASN B4142 " (cutoff:3.500A) removed outlier: 3.584A pdb=" N GLU B4152 " --> pdb=" O THR B4148 " (cutoff:3.500A) removed outlier: 3.750A 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: 3.909A pdb=" N ARG B4202 " --> pdb=" O SER B4198 " (cutoff:3.500A) Processing helix chain 'B' and resid 4207 through 4224 removed outlier: 4.031A pdb=" N VAL B4222 " --> pdb=" O ILE B4218 " (cutoff:3.500A) Processing helix chain 'B' and resid 4228 through 4252 removed outlier: 4.143A pdb=" N PHE B4234 " --> pdb=" O LYS B4230 " (cutoff:3.500A) removed outlier: 3.695A pdb=" N PHE B4243 " --> pdb=" O GLU B4239 " (cutoff:3.500A) removed outlier: 3.800A pdb=" N GLN B4250 " --> pdb=" O GLN B4246 " (cutoff:3.500A) removed outlier: 3.990A pdb=" N ILE B4251 " --> pdb=" O ILE B4247 " (cutoff:3.500A) removed outlier: 3.647A pdb=" N SER B4252 " --> pdb=" O ALA B4248 " (cutoff:3.500A) Processing helix chain 'B' and resid 4543 through 4556 removed outlier: 4.014A pdb=" N TYR B4554 " --> pdb=" O LYS B4550 " (cutoff:3.500A) Processing helix chain 'B' and resid 4558 through 4576 removed outlier: 3.571A pdb=" N LEU B4562 " --> pdb=" O ASN B4558 " (cutoff:3.500A) removed outlier: 3.506A pdb=" N ALA B4570 " --> pdb=" O ALA B4566 " (cutoff:3.500A) removed outlier: 3.946A pdb=" N PHE B4571 " --> pdb=" O LEU B4567 " (cutoff:3.500A) removed outlier: 3.739A pdb=" N ALA B4572 " --> pdb=" O PHE B4568 " (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: 3.765A pdb=" N THR B4651 " --> pdb=" O SER B4647 " (cutoff:3.500A) removed outlier: 3.650A pdb=" N ALA B4654 " --> pdb=" O HIS B4650 " (cutoff:3.500A) removed outlier: 3.557A pdb=" N PHE B4655 " --> pdb=" O THR B4651 " (cutoff:3.500A) removed outlier: 3.783A pdb=" N ILE B4659 " --> pdb=" O PHE B4655 " (cutoff:3.500A) Processing helix chain 'B' and resid 4667 through 4683 removed outlier: 3.655A 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 4706 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: 3.591A pdb=" N ALA B4752 " --> pdb=" O LEU B4748 " (cutoff:3.500A) Processing helix chain 'B' and resid 4772 through 4786 removed outlier: 3.557A pdb=" N ASP B4786 " --> pdb=" O VAL B4782 " (cutoff:3.500A) Processing helix chain 'B' and resid 4786 through 4803 removed outlier: 4.012A pdb=" N MET B4798 " --> pdb=" O TRP B4794 " (cutoff:3.500A) removed outlier: 4.019A pdb=" N SER B4799 " --> pdb=" O TYR B4795 " (cutoff:3.500A) removed outlier: 3.517A pdb=" N HIS B4803 " --> pdb=" O SER B4799 " (cutoff:3.500A) Processing helix chain 'B' and resid 4811 through 4819 removed outlier: 4.192A pdb=" N ASP B4815 " --> pdb=" O ALA B4811 " (cutoff:3.500A) removed outlier: 3.957A pdb=" N ILE B4816 " --> pdb=" O HIS B4812 " (cutoff:3.500A) removed outlier: 3.982A pdb=" N ALA B4817 " --> pdb=" O LEU B4813 " (cutoff:3.500A) removed outlier: 3.794A pdb=" N MET B4818 " --> pdb=" O LEU B4814 " (cutoff:3.500A) Processing helix chain 'B' and resid 4820 through 4833 removed outlier: 3.986A pdb=" N ILE B4826 " --> pdb=" O THR B4822 " (cutoff:3.500A) removed outlier: 3.575A pdb=" N SER B4829 " --> pdb=" O THR B4825 " (cutoff:3.500A) removed outlier: 3.603A pdb=" N VAL B4830 " --> pdb=" O ILE B4826 " (cutoff:3.500A) Processing helix chain 'B' and resid 4833 through 4858 removed outlier: 4.047A pdb=" N VAL B4838 " --> pdb=" O GLY B4834 " (cutoff:3.500A) removed outlier: 4.417A pdb=" N MET B4839 " --> pdb=" O LYS B4835 " (cutoff:3.500A) removed outlier: 3.518A pdb=" N THR B4840 " --> pdb=" O GLN B4836 " (cutoff:3.500A) removed outlier: 3.519A pdb=" N GLY B4842 " --> pdb=" O VAL B4838 " (cutoff:3.500A) removed outlier: 3.544A pdb=" N ALA B4845 " --> pdb=" O VAL B4841 " (cutoff:3.500A) removed outlier: 3.774A pdb=" N VAL B4848 " --> pdb=" O LEU B4844 " (cutoff:3.500A) removed outlier: 3.640A pdb=" N VAL B4853 " --> pdb=" O TYR B4849 " (cutoff:3.500A) removed outlier: 3.636A pdb=" N VAL B4854 " --> pdb=" O LEU B4850 " (cutoff:3.500A) removed outlier: 4.014A pdb=" N ALA B4855 " --> pdb=" O TYR B4851 " (cutoff:3.500A) Processing helix chain 'B' and resid 4859 through 4863 removed outlier: 4.201A pdb=" N PHE B4862 " --> pdb=" O PHE B4859 " (cutoff:3.500A) removed outlier: 3.891A 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 4887 removed outlier: 3.782A pdb=" N PHE B4885 " --> pdb=" O THR B4881 " (cutoff:3.500A) removed outlier: 3.622A pdb=" N HIS B4886 " --> pdb=" O CYS B4882 " (cutoff:3.500A) removed outlier: 3.551A pdb=" N MET B4887 " --> pdb=" O TYR B4883 " (cutoff:3.500A) Processing helix chain 'B' and resid 4896 through 4900 removed outlier: 3.846A pdb=" N ASP B4899 " --> pdb=" O GLY B4896 " (cutoff:3.500A) removed outlier: 3.527A 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 4909 through 4923 removed outlier: 3.803A pdb=" N VAL B4914 " --> pdb=" O GLU B4910 " (cutoff:3.500A) removed outlier: 4.379A pdb=" N VAL B4915 " --> pdb=" O LEU B4911 " (cutoff:3.500A) removed outlier: 3.825A pdb=" N ILE B4918 " --> pdb=" O VAL B4914 " (cutoff:3.500A) removed outlier: 3.651A pdb=" N PHE B4921 " --> pdb=" O ASP B4917 " (cutoff:3.500A) removed outlier: 3.550A pdb=" N PHE B4922 " --> pdb=" O ILE B4918 " (cutoff:3.500A) removed outlier: 3.715A pdb=" N PHE B4923 " --> pdb=" O THR B4919 " (cutoff:3.500A) Processing helix chain 'B' and resid 4924 through 4957 removed outlier: 3.746A pdb=" N LEU B4929 " --> pdb=" O ILE B4925 " (cutoff:3.500A) removed outlier: 4.136A pdb=" N ALA B4930 " --> pdb=" O VAL B4926 " (cutoff:3.500A) removed outlier: 3.722A pdb=" N ILE B4936 " --> pdb=" O ILE B4932 " (cutoff:3.500A) removed outlier: 3.680A pdb=" N ALA B4939 " --> pdb=" O LEU B4935 " (cutoff:3.500A) removed outlier: 3.562A pdb=" N VAL B4950 " --> pdb=" O GLN B4946 " (cutoff:3.500A) removed outlier: 3.550A pdb=" N LYS B4951 " --> pdb=" O GLN B4947 " (cutoff:3.500A) removed outlier: 3.623A pdb=" N GLU B4952 " --> pdb=" O GLU B4948 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N MET B4954 " --> pdb=" O VAL B4950 " (cutoff:3.500A) removed outlier: 3.856A pdb=" N GLU B4955 " --> pdb=" O LYS B4951 " (cutoff:3.500A) removed outlier: 3.538A pdb=" N LYS B4957 " --> pdb=" O ASP B4953 " (cutoff:3.500A) Processing helix chain 'B' and resid 4964 through 4970 removed outlier: 4.394A pdb=" N PHE B4968 " --> 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: 3.650A pdb=" N PHE B4990 " --> pdb=" O ALA B4986 " (cutoff:3.500A) Processing helix chain 'B' and resid 5004 through 5017 removed outlier: 3.795A 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: 3.827A pdb=" N ARG E 402 " --> pdb=" O SER E 398 " (cutoff:3.500A) removed outlier: 3.533A pdb=" N LEU E 410 " --> pdb=" O SER E 406 " (cutoff:3.500A) Processing helix chain 'E' and resid 414 through 419 Processing helix chain 'E' and resid 438 through 452 removed outlier: 3.720A pdb=" N GLY E 450 " --> pdb=" O GLN E 446 " (cutoff:3.500A) Processing helix chain 'E' and resid 460 through 478 removed outlier: 3.513A pdb=" N GLN E 465 " --> pdb=" O HIS E 461 " (cutoff:3.500A) removed outlier: 3.872A pdb=" N SER E 466 " --> pdb=" O GLU E 462 " (cutoff:3.500A) removed outlier: 3.861A 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: 4.156A pdb=" N LYS E 516 " --> pdb=" O ALA E 512 " (cutoff:3.500A) removed outlier: 4.491A pdb=" N GLU E 517 " --> pdb=" O GLU E 513 " (cutoff:3.500A) removed outlier: 3.591A pdb=" N ILE E 518 " --> pdb=" O SER E 514 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N TYR E 523 " --> pdb=" O VAL E 519 " (cutoff:3.500A) removed outlier: 3.715A pdb=" N GLU E 524 " --> pdb=" O ASN E 520 " (cutoff:3.500A) removed outlier: 3.927A pdb=" N SER E 528 " --> pdb=" O GLU E 524 " (cutoff:3.500A) removed outlier: 4.030A pdb=" N LEU E 529 " --> pdb=" O LEU E 525 " (cutoff:3.500A) removed outlier: 3.548A pdb=" N ILE E 530 " --> pdb=" O LEU E 526 " (cutoff:3.500A) Processing helix chain 'E' and resid 538 through 542 removed outlier: 3.616A pdb=" N SER E 541 " --> pdb=" O ALA E 538 " (cutoff:3.500A) removed outlier: 4.101A 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: 3.856A pdb=" N VAL E 548 " --> pdb=" O LEU E 544 " (cutoff:3.500A) Processing helix chain 'E' and resid 559 through 571 removed outlier: 3.770A pdb=" N TYR E 565 " --> pdb=" O LEU E 561 " (cutoff:3.500A) removed outlier: 4.321A pdb=" N GLU E 570 " --> pdb=" O CYS E 566 " (cutoff:3.500A) removed outlier: 3.871A pdb=" N SER E 571 " --> pdb=" O VAL E 567 " (cutoff:3.500A) Processing helix chain 'E' and resid 571 through 577 removed outlier: 3.981A 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: 4.031A pdb=" N LEU E 600 " --> pdb=" O ASN E 596 " (cutoff:3.500A) removed outlier: 3.599A pdb=" N LEU E 603 " --> pdb=" O VAL E 599 " (cutoff:3.500A) removed outlier: 3.620A pdb=" N CYS E 607 " --> pdb=" O LEU E 603 " (cutoff:3.500A) removed outlier: 4.257A pdb=" N VAL E 608 " --> pdb=" O CYS E 604 " (cutoff:3.500A) Processing helix chain 'E' and resid 614 through 625 removed outlier: 3.968A pdb=" N GLN E 618 " --> pdb=" O VAL E 614 " (cutoff:3.500A) removed outlier: 3.646A pdb=" N ASP E 619 " --> pdb=" O ARG E 615 " (cutoff:3.500A) removed outlier: 3.607A pdb=" N ILE E 621 " --> pdb=" O ASN E 617 " (cutoff:3.500A) removed outlier: 3.591A pdb=" N THR E 622 " --> pdb=" O GLN E 618 " (cutoff:3.500A) Processing helix chain 'E' and resid 864 through 889 removed outlier: 4.105A pdb=" N GLU E 872 " --> pdb=" O GLU E 868 " (cutoff:3.500A) removed outlier: 4.447A pdb=" N LYS E 873 " --> pdb=" O ARG E 869 " (cutoff:3.500A) removed outlier: 3.873A pdb=" N HIS E 879 " --> pdb=" O ALA E 875 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ARG E 886 " --> pdb=" O TRP E 882 " (cutoff:3.500A) removed outlier: 3.714A pdb=" N ILE E 887 " --> pdb=" O ALA E 883 " (cutoff:3.500A) Processing helix chain 'E' and resid 914 through 932 removed outlier: 3.635A pdb=" N LEU E 932 " --> pdb=" O THR E 928 " (cutoff:3.500A) Processing helix chain 'E' and resid 933 through 936 removed outlier: 4.097A 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 988 removed outlier: 3.617A pdb=" N LEU E 984 " --> pdb=" O ALA E 980 " (cutoff:3.500A) removed outlier: 3.905A pdb=" N ASP E 986 " --> pdb=" O THR E 982 " (cutoff:3.500A) Processing helix chain 'E' and resid 988 through 1001 removed outlier: 3.518A pdb=" N HIS E 993 " --> pdb=" O ALA E 989 " (cutoff:3.500A) removed outlier: 3.724A pdb=" N ASN E 994 " --> pdb=" O GLU E 990 " (cutoff:3.500A) removed outlier: 3.594A pdb=" N TRP E 996 " --> pdb=" O GLY E 992 " (cutoff:3.500A) Processing helix chain 'E' and resid 1028 through 1049 removed outlier: 3.557A pdb=" N LYS E1032 " --> pdb=" O ASP E1028 " (cutoff:3.500A) removed outlier: 4.522A pdb=" N GLN E1041 " --> pdb=" O ASP E1037 " (cutoff:3.500A) removed outlier: 4.898A pdb=" N ALA E1042 " --> pdb=" O SER E1038 " (cutoff:3.500A) removed outlier: 3.957A pdb=" N VAL E1043 " --> pdb=" O LEU E1039 " (cutoff:3.500A) removed outlier: 4.114A pdb=" N ARG E1044 " --> pdb=" O CYS E1040 " (cutoff:3.500A) removed outlier: 4.128A pdb=" N THR E1045 " --> pdb=" O GLN E1041 " (cutoff:3.500A) removed outlier: 3.693A pdb=" N LEU E1046 " --> pdb=" O ALA E1042 " (cutoff:3.500A) removed outlier: 3.523A pdb=" N LEU E1047 " --> pdb=" O VAL E1043 " (cutoff:3.500A) Processing helix chain 'E' and resid 1078 through 1082 Processing helix chain 'E' and resid 1576 through 1581 removed outlier: 3.706A pdb=" N PHE E1580 " --> pdb=" O SER E1576 " (cutoff:3.500A) removed outlier: 4.207A 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: 3.600A pdb=" N ARG E1656 " --> pdb=" O GLU E1652 " (cutoff:3.500A) Processing helix chain 'E' and resid 1658 through 1674 removed outlier: 3.759A pdb=" N TYR E1670 " --> pdb=" O THR E1666 " (cutoff:3.500A) removed outlier: 4.634A pdb=" N ARG E1671 " --> pdb=" O LEU E1667 " (cutoff:3.500A) Processing helix chain 'E' and resid 1678 through 1686 removed outlier: 3.628A pdb=" N ALA E1684 " --> pdb=" O ARG E1680 " (cutoff:3.500A) removed outlier: 4.128A pdb=" N CYS E1686 " --> pdb=" O ALA E1682 " (cutoff:3.500A) Processing helix chain 'E' and resid 1691 through 1700 removed outlier: 4.188A pdb=" N LEU E1695 " --> pdb=" O GLN E1691 " (cutoff:3.500A) removed outlier: 3.937A pdb=" N LEU E1698 " --> pdb=" O LEU E1694 " (cutoff:3.500A) removed outlier: 3.815A pdb=" N GLU E1699 " --> pdb=" O LEU E1695 " (cutoff:3.500A) removed outlier: 3.751A 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: 4.201A pdb=" N LEU E1714 " --> pdb=" O GLY E1710 " (cutoff:3.500A) removed outlier: 4.651A pdb=" N ILE E1716 " --> pdb=" O TYR E1712 " (cutoff:3.500A) Processing helix chain 'E' and resid 1723 through 1732 removed outlier: 4.334A pdb=" N SER E1732 " --> pdb=" O ARG E1728 " (cutoff:3.500A) Processing helix chain 'E' and resid 1739 through 1744 Processing helix chain 'E' and resid 1804 through 1823 removed outlier: 3.564A 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: 3.781A pdb=" N GLN E1928 " --> pdb=" O GLY E1925 " (cutoff:3.500A) removed outlier: 3.738A 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: 3.918A pdb=" N TYR E1945 " --> pdb=" O ASN E1941 " (cutoff:3.500A) removed outlier: 4.000A 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: 3.776A pdb=" N GLU E1963 " --> pdb=" O ALA E1959 " (cutoff:3.500A) removed outlier: 3.809A pdb=" N ARG E1964 " --> pdb=" O ALA E1960 " (cutoff:3.500A) removed outlier: 3.530A pdb=" N TYR E1965 " --> pdb=" O PHE E1961 " (cutoff:3.500A) removed outlier: 3.869A pdb=" N VAL E1966 " --> pdb=" O ALA E1962 " (cutoff:3.500A) removed outlier: 3.582A pdb=" N ASP E1967 " --> pdb=" O GLU E1963 " (cutoff:3.500A) removed outlier: 3.875A pdb=" N LYS E1968 " --> pdb=" O ARG E1964 " (cutoff:3.500A) removed outlier: 3.551A pdb=" N ALA E1978 " --> pdb=" O ARG E1974 " (cutoff:3.500A) Processing helix chain 'E' and resid 1989 through 1994 removed outlier: 3.821A pdb=" N ARG E1993 " --> pdb=" O ALA E1989 " (cutoff:3.500A) removed outlier: 3.870A 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: 3.733A pdb=" N ILE E2006 " --> pdb=" O PRO E2002 " (cutoff:3.500A) removed outlier: 4.122A pdb=" N ASN E2007 " --> pdb=" O GLN E2003 " (cutoff:3.500A) removed outlier: 4.332A pdb=" N HIS E2011 " --> pdb=" O ASN E2007 " (cutoff:3.500A) Processing helix chain 'E' and resid 2026 through 2042 removed outlier: 3.696A pdb=" N ASP E2030 " --> pdb=" O ASP E2026 " (cutoff:3.500A) removed outlier: 4.051A pdb=" N LEU E2031 " --> pdb=" O ILE E2027 " (cutoff:3.500A) removed outlier: 3.806A pdb=" N GLN E2032 " --> pdb=" O ARG E2028 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N LEU E2039 " --> pdb=" O HIS E2035 " (cutoff:3.500A) Processing helix chain 'E' and resid 2094 through 2108 removed outlier: 3.683A pdb=" N VAL E2103 " --> pdb=" O SER E2099 " (cutoff:3.500A) removed outlier: 3.674A pdb=" N TRP E2105 " --> pdb=" O MET E2101 " (cutoff:3.500A) Processing helix chain 'E' and resid 2113 through 2129 removed outlier: 3.679A pdb=" N VAL E2117 " --> pdb=" O SER E2113 " (cutoff:3.500A) removed outlier: 3.548A pdb=" N LEU E2123 " --> pdb=" O ALA E2119 " (cutoff:3.500A) Processing helix chain 'E' and resid 2129 through 2138 Processing helix chain 'E' and resid 2139 through 2141 No H-bonds generated for 'chain 'E' and resid 2139 through 2141' Processing helix chain 'E' and resid 2148 through 2165 removed outlier: 4.226A pdb=" N CYS E2158 " --> pdb=" O SER E2154 " (cutoff:3.500A) removed outlier: 3.593A pdb=" N GLN E2161 " --> pdb=" O GLU E2157 " (cutoff:3.500A) Processing helix chain 'E' and resid 2171 through 2187 removed outlier: 3.630A 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: 3.870A pdb=" N MET E2198 " --> pdb=" O HIS E2194 " (cutoff:3.500A) Processing helix chain 'E' and resid 2202 through 2216 removed outlier: 3.785A pdb=" N VAL E2210 " --> pdb=" O THR E2206 " (cutoff:3.500A) removed outlier: 3.654A pdb=" N ASN E2213 " --> pdb=" O GLU E2209 " (cutoff:3.500A) Processing helix chain 'E' and resid 2230 through 2242 removed outlier: 3.727A pdb=" N TYR E2238 " --> pdb=" O ARG E2234 " (cutoff:3.500A) Processing helix chain 'E' and resid 2245 through 2252 removed outlier: 3.708A pdb=" N ASP E2252 " --> pdb=" O ARG E2248 " (cutoff:3.500A) Processing helix chain 'E' and resid 2253 through 2262 removed outlier: 4.160A pdb=" N ASN E2260 " --> pdb=" O TYR E2256 " (cutoff:3.500A) removed outlier: 3.544A pdb=" N GLY E2262 " --> pdb=" O LEU E2258 " (cutoff:3.500A) Processing helix chain 'E' and resid 2271 through 2279 removed outlier: 3.634A pdb=" N ALA E2276 " --> pdb=" O PRO E2272 " (cutoff:3.500A) removed outlier: 3.621A pdb=" N SER E2279 " --> pdb=" O VAL E2275 " (cutoff:3.500A) Processing helix chain 'E' and resid 2294 through 2304 removed outlier: 3.581A pdb=" N VAL E2299 " --> pdb=" O LEU E2295 " (cutoff:3.500A) Processing helix chain 'E' and resid 2310 through 2315 removed outlier: 4.053A pdb=" N ALA E2315 " --> pdb=" O PRO E2311 " (cutoff:3.500A) Processing helix chain 'E' and resid 2326 through 2331 removed outlier: 3.663A pdb=" N TYR E2331 " --> pdb=" O GLY E2327 " (cutoff:3.500A) Processing helix chain 'E' and resid 2346 through 2356 removed outlier: 4.001A pdb=" N ALA E2350 " --> pdb=" O VAL E2346 " (cutoff:3.500A) removed outlier: 5.055A pdb=" N VAL E2352 " --> pdb=" O GLU E2348 " (cutoff:3.500A) removed outlier: 3.936A pdb=" N VAL E2353 " --> pdb=" O ASN E2349 " (cutoff:3.500A) removed outlier: 3.617A pdb=" N LEU E2356 " --> pdb=" O VAL E2352 " (cutoff:3.500A) Processing helix chain 'E' and resid 2360 through 2364 Processing helix chain 'E' and resid 2375 through 2388 removed outlier: 3.694A 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 2417 through 2435 removed outlier: 4.013A pdb=" N ALA E2421 " --> pdb=" O HIS E2417 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N MET E2423 " --> pdb=" O GLY E2419 " (cutoff:3.500A) removed outlier: 3.739A pdb=" N ALA E2428 " --> pdb=" O SER E2424 " (cutoff:3.500A) Processing helix chain 'E' and resid 2440 through 2445 removed outlier: 3.601A pdb=" N ALA E2445 " --> pdb=" O HIS E2441 " (cutoff:3.500A) Processing helix chain 'E' and resid 2448 through 2461 removed outlier: 3.847A pdb=" N ILE E2453 " --> pdb=" O GLU E2449 " (cutoff:3.500A) Processing helix chain 'E' and resid 2466 through 2471 removed outlier: 3.860A pdb=" N ILE E2470 " --> pdb=" O LEU E2466 " (cutoff:3.500A) Processing helix chain 'E' and resid 2502 through 2507 removed outlier: 3.676A 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 2524 through 2530 removed outlier: 3.718A pdb=" N UNK E2528 " --> pdb=" O UNK E2524 " (cutoff:3.500A) Processing helix chain 'E' and resid 2542 through 2548 removed outlier: 3.672A pdb=" N UNK E2546 " --> pdb=" O UNK E2542 " (cutoff:3.500A) Processing helix chain 'E' and resid 2551 through 2557 removed outlier: 3.863A 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: 3.902A pdb=" N UNK E2602 " --> pdb=" O UNK E2598 " (cutoff:3.500A) Processing helix chain 'E' and resid 2610 through 2618 removed outlier: 3.548A pdb=" N UNK E2617 " --> pdb=" O UNK E2613 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N UNK E2618 " --> pdb=" O UNK E2614 " (cutoff:3.500A) Processing helix chain 'E' and resid 2626 through 2641 removed outlier: 3.930A pdb=" N UNK E2630 " --> pdb=" O UNK E2626 " (cutoff:3.500A) removed outlier: 3.973A pdb=" N UNK E2631 " --> pdb=" O UNK E2627 " (cutoff:3.500A) removed outlier: 3.598A pdb=" N UNK E2634 " --> pdb=" O UNK E2630 " (cutoff:3.500A) removed outlier: 3.582A pdb=" N UNK E2635 " --> pdb=" O UNK E2631 " (cutoff:3.500A) removed outlier: 3.521A pdb=" N UNK E2639 " --> pdb=" O UNK E2635 " (cutoff:3.500A) removed outlier: 3.693A pdb=" N UNK E2641 " --> pdb=" O UNK E2637 " (cutoff:3.500A) Processing helix chain 'E' and resid 2650 through 2665 Processing helix chain 'E' and resid 2751 through 2773 removed outlier: 3.575A pdb=" N HIS E2763 " --> pdb=" O ALA E2759 " (cutoff:3.500A) removed outlier: 3.671A pdb=" N PHE E2768 " --> pdb=" O GLU E2764 " (cutoff:3.500A) removed outlier: 3.673A pdb=" N ASP E2769 " --> pdb=" O LYS E2765 " (cutoff:3.500A) Processing helix chain 'E' and resid 2793 through 2797 removed outlier: 3.502A pdb=" N THR E2796 " --> pdb=" O PRO E2793 " (cutoff:3.500A) removed outlier: 3.596A 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: 3.762A pdb=" N ILE E2804 " --> pdb=" O ASP E2801 " (cutoff:3.500A) Processing helix chain 'E' and resid 2809 through 2820 removed outlier: 4.005A pdb=" N ALA E2815 " --> pdb=" O GLU E2811 " (cutoff:3.500A) removed outlier: 3.910A pdb=" N MET E2816 " --> pdb=" O SER E2812 " (cutoff:3.500A) removed outlier: 3.534A pdb=" N ALA E2818 " --> pdb=" O LYS E2814 " (cutoff:3.500A) Processing helix chain 'E' and resid 2868 through 2895 removed outlier: 4.091A pdb=" N MET E2874 " --> pdb=" O GLU E2870 " (cutoff:3.500A) removed outlier: 3.550A pdb=" N GLU E2876 " --> pdb=" O GLN E2872 " (cutoff:3.500A) removed outlier: 4.107A pdb=" N TRP E2886 " --> pdb=" O TYR E2882 " (cutoff:3.500A) Processing helix chain 'E' and resid 2912 through 2932 removed outlier: 3.738A pdb=" N LYS E2916 " --> pdb=" O THR E2912 " (cutoff:3.500A) removed outlier: 3.526A pdb=" N ARG E2918 " --> pdb=" O LYS E2914 " (cutoff:3.500A) removed outlier: 3.649A pdb=" N ARG E2920 " --> pdb=" O LYS E2916 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N GLU E2921 " --> pdb=" O ALA E2917 " (cutoff:3.500A) removed outlier: 3.523A 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: 4.225A pdb=" N UNK E2956 " --> pdb=" O UNK E2952 " (cutoff:3.500A) removed outlier: 3.575A pdb=" N UNK E2968 " --> pdb=" O UNK E2964 " (cutoff:3.500A) removed outlier: 3.840A pdb=" N UNK E2969 " --> pdb=" O UNK E2965 " (cutoff:3.500A) Processing helix chain 'E' and resid 2999 through 3016 removed outlier: 3.520A pdb=" N UNK E3003 " --> pdb=" O UNK E2999 " (cutoff:3.500A) removed outlier: 3.692A pdb=" N UNK E3004 " --> pdb=" O UNK E3000 " (cutoff:3.500A) removed outlier: 3.535A 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: 3.741A pdb=" N UNK E3010 " --> pdb=" O UNK E3006 " (cutoff:3.500A) removed outlier: 3.882A 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: 3.617A pdb=" N UNK E3037 " --> pdb=" O UNK E3033 " (cutoff:3.500A) removed outlier: 3.575A pdb=" N UNK E3040 " --> pdb=" O UNK E3036 " (cutoff:3.500A) Processing helix chain 'E' and resid 3052 through 3058 removed outlier: 3.989A pdb=" N UNK E3056 " --> pdb=" O UNK E3052 " (cutoff:3.500A) Processing helix chain 'E' and resid 3058 through 3063 removed outlier: 4.231A pdb=" N UNK E3062 " --> pdb=" O UNK E3058 " (cutoff:3.500A) Processing helix chain 'E' and resid 3141 through 3146 Processing helix chain 'E' and resid 3146 through 3151 Processing helix chain 'E' and resid 3151 through 3162 removed outlier: 3.563A pdb=" N UNK E3155 " --> pdb=" O UNK E3151 " (cutoff:3.500A) Processing helix chain 'E' and resid 3171 through 3174 Processing helix chain 'E' and resid 3175 through 3186 removed outlier: 3.717A pdb=" N UNK E3182 " --> pdb=" O UNK E3178 " (cutoff:3.500A) Processing helix chain 'E' and resid 3198 through 3212 removed outlier: 3.614A pdb=" N UNK E3205 " --> pdb=" O UNK E3201 " (cutoff:3.500A) Processing helix chain 'E' and resid 3224 through 3230 removed outlier: 3.855A pdb=" N UNK E3228 " --> pdb=" O UNK E3224 " (cutoff:3.500A) Processing helix chain 'E' and resid 3248 through 3254 removed outlier: 3.565A pdb=" N UNK E3252 " --> pdb=" O UNK E3248 " (cutoff:3.500A) Processing helix chain 'E' and resid 3271 through 3285 removed outlier: 4.322A pdb=" N UNK E3282 " --> pdb=" O UNK E3278 " (cutoff:3.500A) removed outlier: 3.875A pdb=" N UNK E3284 " --> pdb=" O UNK E3280 " (cutoff:3.500A) Processing helix chain 'E' and resid 3301 through 3304 Processing helix chain 'E' and resid 3305 through 3310 Processing helix chain 'E' and resid 3316 through 3331 removed outlier: 3.580A pdb=" N UNK E3321 " --> pdb=" O UNK E3317 " (cutoff:3.500A) removed outlier: 3.986A pdb=" N UNK E3323 " --> pdb=" O UNK E3319 " (cutoff:3.500A) removed outlier: 4.650A pdb=" N UNK E3324 " --> pdb=" O UNK E3320 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N UNK E3330 " --> pdb=" O UNK E3326 " (cutoff:3.500A) Processing helix chain 'E' and resid 3344 through 3349 Processing helix chain 'E' and resid 3361 through 3388 Processing helix chain 'E' and resid 3399 through 3409 removed outlier: 3.912A pdb=" N UNK E3405 " --> pdb=" O UNK E3401 " (cutoff:3.500A) removed outlier: 3.732A pdb=" N UNK E3407 " --> pdb=" O UNK E3403 " (cutoff:3.500A) removed outlier: 3.958A pdb=" N UNK E3409 " --> pdb=" O UNK E3405 " (cutoff:3.500A) Processing helix chain 'E' and resid 3410 through 3425 removed outlier: 3.854A pdb=" N UNK E3416 " --> pdb=" O UNK E3412 " (cutoff:3.500A) removed outlier: 3.618A pdb=" N UNK E3417 " --> pdb=" O UNK E3413 " (cutoff:3.500A) removed outlier: 4.211A pdb=" N UNK E3420 " --> pdb=" O UNK E3416 " (cutoff:3.500A) removed outlier: 3.519A 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: 3.502A pdb=" N UNK E3468 " --> pdb=" O UNK E3464 " (cutoff:3.500A) Processing helix chain 'E' and resid 3518 through 3521 removed outlier: 3.542A 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: 3.684A pdb=" N UNK E3529 " --> pdb=" O UNK E3525 " (cutoff:3.500A) Processing helix chain 'E' and resid 3551 through 3560 Processing helix chain 'E' and resid 3574 through 3582 removed outlier: 3.612A pdb=" N UNK E3579 " --> pdb=" O UNK E3575 " (cutoff:3.500A) removed outlier: 4.827A pdb=" N UNK E3580 " --> pdb=" O UNK E3576 " (cutoff:3.500A) Processing helix chain 'E' and resid 3588 through 3611 removed outlier: 4.096A pdb=" N UNK E3592 " --> pdb=" O UNK E3588 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N UNK E3593 " --> pdb=" O UNK E3589 " (cutoff:3.500A) removed outlier: 3.918A pdb=" N UNK E3595 " --> pdb=" O UNK E3591 " (cutoff:3.500A) removed outlier: 3.721A pdb=" N UNK E3598 " --> pdb=" O UNK E3594 " (cutoff:3.500A) removed outlier: 3.936A pdb=" N UNK E3600 " --> pdb=" O UNK E3596 " (cutoff:3.500A) removed outlier: 3.879A pdb=" N UNK E3601 " --> pdb=" O UNK E3597 " (cutoff:3.500A) removed outlier: 3.690A pdb=" N UNK E3610 " --> pdb=" O UNK E3606 " (cutoff:3.500A) removed outlier: 3.921A pdb=" N UNK E3611 " --> pdb=" O UNK E3607 " (cutoff:3.500A) Processing helix chain 'E' and resid 3645 through 3656 removed outlier: 3.873A 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: 3.646A pdb=" N ASP E3676 " --> pdb=" O ARG E3672 " (cutoff:3.500A) removed outlier: 3.886A pdb=" N LEU E3677 " --> pdb=" O MET E3673 " (cutoff:3.500A) removed outlier: 3.862A 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: 3.647A pdb=" N ALA E3709 " --> pdb=" O PHE E3705 " (cutoff:3.500A) removed outlier: 3.916A pdb=" N THR E3711 " --> pdb=" O ARG E3707 " (cutoff:3.500A) Processing helix chain 'E' and resid 3719 through 3738 removed outlier: 3.908A pdb=" N GLU E3736 " --> pdb=" O SER E3732 " (cutoff:3.500A) Processing helix chain 'E' and resid 3755 through 3770 removed outlier: 4.049A pdb=" N GLU E3759 " --> pdb=" O GLU E3755 " (cutoff:3.500A) removed outlier: 3.852A pdb=" N LYS E3760 " --> pdb=" O LYS E3756 " (cutoff:3.500A) removed outlier: 3.536A pdb=" N LEU E3764 " --> pdb=" O LYS E3760 " (cutoff:3.500A) removed outlier: 4.198A pdb=" N GLN E3767 " --> pdb=" O LEU E3763 " (cutoff:3.500A) removed outlier: 4.120A pdb=" N SER E3768 " --> pdb=" O LEU E3764 " (cutoff:3.500A) Processing helix chain 'E' and resid 3771 through 3784 removed outlier: 3.569A pdb=" N ALA E3775 " --> pdb=" O HIS E3771 " (cutoff:3.500A) removed outlier: 4.047A pdb=" N GLU E3777 " --> pdb=" O ARG E3773 " (cutoff:3.500A) removed outlier: 3.847A pdb=" N MET E3778 " --> pdb=" O GLY E3774 " (cutoff:3.500A) removed outlier: 3.719A pdb=" N VAL E3779 " --> pdb=" O ALA E3775 " (cutoff:3.500A) removed outlier: 5.465A pdb=" N LEU E3780 " --> pdb=" O ALA E3776 " (cutoff:3.500A) Processing helix chain 'E' and resid 3791 through 3805 removed outlier: 4.024A pdb=" N LYS E3799 " --> pdb=" O SER E3795 " (cutoff:3.500A) removed outlier: 3.618A pdb=" N LEU E3800 " --> pdb=" O SER E3796 " (cutoff:3.500A) removed outlier: 3.582A pdb=" N LEU E3805 " --> pdb=" O GLY E3801 " (cutoff:3.500A) Processing helix chain 'E' and resid 3809 through 3824 Processing helix chain 'E' and resid 3828 through 3838 removed outlier: 3.532A pdb=" N ILE E3832 " --> pdb=" O PHE E3828 " (cutoff:3.500A) Processing helix chain 'E' and resid 3843 through 3854 removed outlier: 3.610A pdb=" N LYS E3852 " --> pdb=" O GLU E3848 " (cutoff:3.500A) Processing helix chain 'E' and resid 3877 through 3890 removed outlier: 4.396A pdb=" N ASP E3883 " --> pdb=" O GLU E3879 " (cutoff:3.500A) removed outlier: 3.508A pdb=" N ARG E3886 " --> pdb=" O GLN E3882 " (cutoff:3.500A) removed outlier: 3.597A pdb=" N PHE E3887 " --> pdb=" O ASP E3883 " (cutoff:3.500A) removed outlier: 3.612A pdb=" N LEU E3888 " --> pdb=" O LEU E3884 " (cutoff:3.500A) removed outlier: 3.560A pdb=" N LEU E3890 " --> pdb=" O ARG E3886 " (cutoff:3.500A) Processing helix chain 'E' and resid 3898 through 3903 Processing helix chain 'E' and resid 3914 through 3932 removed outlier: 3.867A pdb=" N CYS E3918 " --> pdb=" O ASN E3914 " (cutoff:3.500A) removed outlier: 3.544A pdb=" N GLU E3928 " --> pdb=" O LEU E3924 " (cutoff:3.500A) Processing helix chain 'E' and resid 3932 through 3938 removed outlier: 4.016A pdb=" N TYR E3936 " --> pdb=" O ASP E3932 " (cutoff:3.500A) removed outlier: 3.889A pdb=" N TYR E3937 " --> pdb=" O PHE E3933 " (cutoff:3.500A) Processing helix chain 'E' and resid 3944 through 3970 removed outlier: 3.668A pdb=" N LYS E3953 " --> pdb=" O ARG E3949 " (cutoff:3.500A) removed outlier: 4.780A pdb=" N ALA E3954 " --> pdb=" O ASN E3950 " (cutoff:3.500A) removed outlier: 3.538A pdb=" N MET E3955 " --> pdb=" O PHE E3951 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N LYS E3959 " --> pdb=" O MET E3955 " (cutoff:3.500A) removed outlier: 3.914A pdb=" N GLN E3960 " --> pdb=" O SER E3956 " (cutoff:3.500A) removed outlier: 3.550A pdb=" N GLU E3967 " --> pdb=" O ASN E3963 " (cutoff:3.500A) removed outlier: 3.656A pdb=" N TYR E3968 " --> pdb=" O SER E3964 " (cutoff:3.500A) removed outlier: 3.895A pdb=" N ILE E3969 " --> pdb=" O LEU E3965 " (cutoff:3.500A) Processing helix chain 'E' and resid 3973 through 3982 removed outlier: 3.582A pdb=" N HIS E3982 " --> pdb=" O GLN E3978 " (cutoff:3.500A) Processing helix chain 'E' and resid 3984 through 4005 removed outlier: 3.689A pdb=" N ALA E3988 " --> pdb=" O ARG E3984 " (cutoff:3.500A) removed outlier: 3.878A pdb=" N GLY E3991 " --> pdb=" O ASP E3987 " (cutoff:3.500A) removed outlier: 3.840A pdb=" N PHE E3992 " --> pdb=" O ALA E3988 " (cutoff:3.500A) removed outlier: 4.059A pdb=" N LEU E3993 " --> pdb=" O VAL E3989 " (cutoff:3.500A) removed outlier: 3.501A pdb=" N HIS E3994 " --> pdb=" O VAL E3990 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N HIS E3998 " --> pdb=" O HIS E3994 " (cutoff:3.500A) removed outlier: 4.172A pdb=" N MET E4000 " --> pdb=" O PHE E3996 " (cutoff:3.500A) removed outlier: 3.597A pdb=" N ALA E4004 " --> pdb=" O MET E4000 " (cutoff:3.500A) removed outlier: 3.958A pdb=" N GLN E4005 " --> pdb=" O MET E4001 " (cutoff:3.500A) Processing helix chain 'E' and resid 4006 through 4008 No H-bonds generated for 'chain 'E' and resid 4006 through 4008' Processing helix chain 'E' and resid 4009 through 4032 removed outlier: 4.247A pdb=" N MET E4026 " --> pdb=" O ASP E4022 " (cutoff:3.500A) removed outlier: 3.639A pdb=" N LEU E4027 " --> pdb=" O MET E4023 " (cutoff:3.500A) removed outlier: 4.004A pdb=" N LEU E4031 " --> pdb=" O LEU E4027 " (cutoff:3.500A) removed outlier: 3.570A pdb=" N GLU E4032 " --> pdb=" O LEU E4028 " (cutoff:3.500A) Processing helix chain 'E' and resid 4039 through 4051 removed outlier: 3.799A pdb=" N ASP E4046 " --> pdb=" O ARG E4042 " (cutoff:3.500A) removed outlier: 3.651A pdb=" N SER E4051 " --> pdb=" O MET E4047 " (cutoff:3.500A) Processing helix chain 'E' and resid 4051 through 4063 removed outlier: 3.618A pdb=" N LYS E4060 " --> pdb=" O GLU E4056 " (cutoff:3.500A) removed outlier: 4.088A pdb=" N PHE E4061 " --> pdb=" O MET E4057 " (cutoff:3.500A) removed outlier: 3.708A pdb=" N PHE E4062 " --> pdb=" O ILE E4058 " (cutoff:3.500A) Processing helix chain 'E' and resid 4067 through 4072 Processing helix chain 'E' and resid 4074 through 4081 removed outlier: 4.222A pdb=" N TYR E4080 " --> pdb=" O ALA E4076 " (cutoff:3.500A) removed outlier: 3.998A pdb=" N VAL E4081 " --> pdb=" O PHE E4077 " (cutoff:3.500A) Processing helix chain 'E' and resid 4090 through 4100 removed outlier: 3.598A 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: 3.722A pdb=" N MET E4122 " --> pdb=" O ASP E4118 " (cutoff:3.500A) Processing helix chain 'E' and resid 4124 through 4132 removed outlier: 3.930A pdb=" N ARG E4131 " --> pdb=" O GLU E4127 " (cutoff:3.500A) removed outlier: 3.842A pdb=" N PHE E4132 " --> pdb=" O PHE E4128 " (cutoff:3.500A) Processing helix chain 'E' and resid 4136 through 4154 removed outlier: 3.588A pdb=" N PHE E4141 " --> pdb=" O ARG E4137 " (cutoff:3.500A) removed outlier: 3.611A pdb=" N LEU E4146 " --> pdb=" O ASN E4142 " (cutoff:3.500A) removed outlier: 3.585A pdb=" N GLU E4152 " --> pdb=" O THR E4148 " (cutoff:3.500A) removed outlier: 3.748A 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: 3.908A pdb=" N ARG E4202 " --> pdb=" O SER E4198 " (cutoff:3.500A) Processing helix chain 'E' and resid 4207 through 4224 removed outlier: 4.032A pdb=" N VAL E4222 " --> pdb=" O ILE E4218 " (cutoff:3.500A) Processing helix chain 'E' and resid 4228 through 4252 removed outlier: 4.143A pdb=" N PHE E4234 " --> pdb=" O LYS E4230 " (cutoff:3.500A) removed outlier: 3.695A pdb=" N PHE E4243 " --> pdb=" O GLU E4239 " (cutoff:3.500A) removed outlier: 3.800A pdb=" N GLN E4250 " --> pdb=" O GLN E4246 " (cutoff:3.500A) removed outlier: 3.989A pdb=" N ILE E4251 " --> pdb=" O ILE E4247 " (cutoff:3.500A) removed outlier: 3.646A pdb=" N SER E4252 " --> pdb=" O ALA E4248 " (cutoff:3.500A) Processing helix chain 'E' and resid 4543 through 4556 removed outlier: 4.015A pdb=" N TYR E4554 " --> pdb=" O LYS E4550 " (cutoff:3.500A) Processing helix chain 'E' and resid 4558 through 4576 removed outlier: 3.570A pdb=" N LEU E4562 " --> pdb=" O ASN E4558 " (cutoff:3.500A) removed outlier: 3.506A pdb=" N ALA E4570 " --> pdb=" O ALA E4566 " (cutoff:3.500A) removed outlier: 3.947A pdb=" N PHE E4571 " --> pdb=" O LEU E4567 " (cutoff:3.500A) removed outlier: 3.739A pdb=" N ALA E4572 " --> pdb=" O PHE E4568 " (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: 3.765A pdb=" N THR E4651 " --> pdb=" O SER E4647 " (cutoff:3.500A) removed outlier: 3.651A 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: 3.785A pdb=" N ILE E4659 " --> pdb=" O PHE E4655 " (cutoff:3.500A) Processing helix chain 'E' and resid 4667 through 4683 removed outlier: 3.655A 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 4706 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: 3.591A pdb=" N ALA E4752 " --> pdb=" O LEU E4748 " (cutoff:3.500A) Processing helix chain 'E' and resid 4772 through 4786 removed outlier: 3.558A pdb=" N ASP E4786 " --> pdb=" O VAL E4782 " (cutoff:3.500A) Processing helix chain 'E' and resid 4786 through 4803 removed outlier: 4.013A pdb=" N MET E4798 " --> pdb=" O TRP E4794 " (cutoff:3.500A) removed outlier: 4.022A pdb=" N SER E4799 " --> pdb=" O TYR E4795 " (cutoff:3.500A) removed outlier: 3.518A pdb=" N HIS E4803 " --> pdb=" O SER E4799 " (cutoff:3.500A) Processing helix chain 'E' and resid 4811 through 4819 removed outlier: 4.192A pdb=" N ASP E4815 " --> pdb=" O ALA E4811 " (cutoff:3.500A) removed outlier: 3.957A pdb=" N ILE E4816 " --> pdb=" O HIS E4812 " (cutoff:3.500A) removed outlier: 3.982A pdb=" N ALA E4817 " --> pdb=" O LEU E4813 " (cutoff:3.500A) removed outlier: 3.795A pdb=" N MET E4818 " --> pdb=" O LEU E4814 " (cutoff:3.500A) Processing helix chain 'E' and resid 4820 through 4833 removed outlier: 3.986A pdb=" N ILE E4826 " --> pdb=" O THR E4822 " (cutoff:3.500A) removed outlier: 3.575A pdb=" N SER E4829 " --> pdb=" O THR E4825 " (cutoff:3.500A) removed outlier: 3.602A pdb=" N VAL E4830 " --> pdb=" O ILE E4826 " (cutoff:3.500A) Processing helix chain 'E' and resid 4833 through 4858 removed outlier: 4.047A pdb=" N VAL E4838 " --> pdb=" O GLY E4834 " (cutoff:3.500A) removed outlier: 4.417A pdb=" N MET E4839 " --> pdb=" O LYS E4835 " (cutoff:3.500A) removed outlier: 3.518A pdb=" N THR E4840 " --> pdb=" O GLN E4836 " (cutoff:3.500A) removed outlier: 3.518A pdb=" N GLY E4842 " --> pdb=" O VAL E4838 " (cutoff:3.500A) removed outlier: 3.542A pdb=" N ALA E4845 " --> pdb=" O VAL E4841 " (cutoff:3.500A) removed outlier: 3.773A pdb=" N VAL E4848 " --> pdb=" O LEU E4844 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N VAL E4853 " --> pdb=" O TYR E4849 " (cutoff:3.500A) removed outlier: 3.634A pdb=" N VAL E4854 " --> pdb=" O LEU E4850 " (cutoff:3.500A) removed outlier: 4.014A pdb=" N ALA E4855 " --> pdb=" O TYR E4851 " (cutoff:3.500A) Processing helix chain 'E' and resid 4859 through 4863 removed outlier: 4.200A pdb=" N PHE E4862 " --> pdb=" O PHE E4859 " (cutoff:3.500A) removed outlier: 3.891A 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 4887 removed outlier: 3.782A pdb=" N PHE E4885 " --> pdb=" O THR E4881 " (cutoff:3.500A) removed outlier: 3.623A pdb=" N HIS E4886 " --> pdb=" O CYS E4882 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N MET E4887 " --> pdb=" O TYR E4883 " (cutoff:3.500A) Processing helix chain 'E' and resid 4896 through 4900 removed outlier: 3.846A pdb=" N ASP E4899 " --> pdb=" O GLY E4896 " (cutoff:3.500A) removed outlier: 3.526A 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 4909 through 4923 removed outlier: 3.803A pdb=" N VAL E4914 " --> pdb=" O GLU E4910 " (cutoff:3.500A) removed outlier: 4.381A pdb=" N VAL E4915 " --> pdb=" O LEU E4911 " (cutoff:3.500A) removed outlier: 3.825A pdb=" N ILE E4918 " --> pdb=" O VAL E4914 " (cutoff:3.500A) removed outlier: 3.650A pdb=" N PHE E4921 " --> pdb=" O ASP E4917 " (cutoff:3.500A) removed outlier: 3.550A pdb=" N PHE E4922 " --> pdb=" O ILE E4918 " (cutoff:3.500A) removed outlier: 3.714A pdb=" N PHE E4923 " --> pdb=" O THR E4919 " (cutoff:3.500A) Processing helix chain 'E' and resid 4924 through 4957 removed outlier: 3.746A pdb=" N LEU E4929 " --> pdb=" O ILE E4925 " (cutoff:3.500A) removed outlier: 4.137A pdb=" N ALA E4930 " --> pdb=" O VAL E4926 " (cutoff:3.500A) removed outlier: 3.722A pdb=" N ILE E4936 " --> pdb=" O ILE E4932 " (cutoff:3.500A) removed outlier: 3.681A pdb=" N ALA E4939 " --> pdb=" O LEU E4935 " (cutoff:3.500A) removed outlier: 3.562A pdb=" N VAL E4950 " --> pdb=" O GLN E4946 " (cutoff:3.500A) removed outlier: 3.550A pdb=" N LYS E4951 " --> pdb=" O GLN E4947 " (cutoff:3.500A) removed outlier: 3.623A pdb=" N GLU E4952 " --> pdb=" O GLU E4948 " (cutoff:3.500A) removed outlier: 3.969A pdb=" N MET E4954 " --> pdb=" O VAL E4950 " (cutoff:3.500A) removed outlier: 3.856A pdb=" N GLU E4955 " --> pdb=" O LYS E4951 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N LYS E4957 " --> pdb=" O ASP E4953 " (cutoff:3.500A) Processing helix chain 'E' and resid 4964 through 4970 removed outlier: 4.394A pdb=" N PHE E4968 " --> 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: 3.650A pdb=" N PHE E4990 " --> pdb=" O ALA E4986 " (cutoff:3.500A) Processing helix chain 'E' and resid 5004 through 5017 removed outlier: 3.796A 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: 4.029A pdb=" N GLY F 62 " --> pdb=" O GLY F 58 " (cutoff:3.500A) removed outlier: 3.504A pdb=" N ALA F 63 " --> pdb=" O PHE F 59 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N ALA F 64 " --> pdb=" O GLU F 60 " (cutoff:3.500A) removed outlier: 3.559A pdb=" N GLN F 65 " --> pdb=" O GLU F 61 " (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: 3.827A pdb=" N ARG G 402 " --> pdb=" O SER G 398 " (cutoff:3.500A) removed outlier: 3.533A pdb=" N LEU G 410 " --> pdb=" O SER G 406 " (cutoff:3.500A) Processing helix chain 'G' and resid 414 through 419 Processing helix chain 'G' and resid 438 through 452 removed outlier: 3.719A pdb=" N GLY G 450 " --> pdb=" O GLN G 446 " (cutoff:3.500A) Processing helix chain 'G' and resid 460 through 478 removed outlier: 3.514A pdb=" N GLN G 465 " --> pdb=" O HIS G 461 " (cutoff:3.500A) removed outlier: 3.872A pdb=" N SER G 466 " --> pdb=" O GLU G 462 " (cutoff:3.500A) removed outlier: 3.860A 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: 4.157A pdb=" N LYS G 516 " --> pdb=" O ALA G 512 " (cutoff:3.500A) removed outlier: 4.493A pdb=" N GLU G 517 " --> pdb=" O GLU G 513 " (cutoff:3.500A) removed outlier: 3.592A pdb=" N ILE G 518 " --> pdb=" O SER G 514 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N TYR G 523 " --> pdb=" O VAL G 519 " (cutoff:3.500A) removed outlier: 3.716A pdb=" N GLU G 524 " --> pdb=" O ASN G 520 " (cutoff:3.500A) removed outlier: 3.927A pdb=" N SER G 528 " --> pdb=" O GLU G 524 " (cutoff:3.500A) removed outlier: 4.030A pdb=" N LEU G 529 " --> pdb=" O LEU G 525 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N ILE G 530 " --> pdb=" O LEU G 526 " (cutoff:3.500A) Processing helix chain 'G' and resid 538 through 542 removed outlier: 3.615A pdb=" N SER G 541 " --> pdb=" O ALA G 538 " (cutoff:3.500A) removed outlier: 4.100A 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: 3.856A pdb=" N VAL G 548 " --> pdb=" O LEU G 544 " (cutoff:3.500A) Processing helix chain 'G' and resid 559 through 571 removed outlier: 3.770A pdb=" N TYR G 565 " --> pdb=" O LEU G 561 " (cutoff:3.500A) removed outlier: 4.321A pdb=" N GLU G 570 " --> pdb=" O CYS G 566 " (cutoff:3.500A) removed outlier: 3.869A pdb=" N SER G 571 " --> pdb=" O VAL G 567 " (cutoff:3.500A) Processing helix chain 'G' and resid 571 through 577 removed outlier: 3.981A 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: 4.030A pdb=" N LEU G 600 " --> pdb=" O ASN G 596 " (cutoff:3.500A) removed outlier: 3.599A pdb=" N LEU G 603 " --> pdb=" O VAL G 599 " (cutoff:3.500A) removed outlier: 3.619A pdb=" N CYS G 607 " --> pdb=" O LEU G 603 " (cutoff:3.500A) removed outlier: 4.256A pdb=" N VAL G 608 " --> pdb=" O CYS G 604 " (cutoff:3.500A) Processing helix chain 'G' and resid 614 through 625 removed outlier: 3.968A pdb=" N GLN G 618 " --> pdb=" O VAL G 614 " (cutoff:3.500A) removed outlier: 3.646A pdb=" N ASP G 619 " --> pdb=" O ARG G 615 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N ILE G 621 " --> pdb=" O ASN G 617 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N THR G 622 " --> pdb=" O GLN G 618 " (cutoff:3.500A) Processing helix chain 'G' and resid 864 through 889 removed outlier: 4.106A pdb=" N GLU G 872 " --> pdb=" O GLU G 868 " (cutoff:3.500A) removed outlier: 4.447A pdb=" N LYS G 873 " --> pdb=" O ARG G 869 " (cutoff:3.500A) removed outlier: 3.872A pdb=" N HIS G 879 " --> pdb=" O ALA G 875 " (cutoff:3.500A) removed outlier: 3.685A pdb=" N ARG G 886 " --> pdb=" O TRP G 882 " (cutoff:3.500A) removed outlier: 3.713A pdb=" N ILE G 887 " --> pdb=" O ALA G 883 " (cutoff:3.500A) Processing helix chain 'G' and resid 914 through 932 removed outlier: 3.637A pdb=" N LEU G 932 " --> pdb=" O THR G 928 " (cutoff:3.500A) Processing helix chain 'G' and resid 933 through 936 removed outlier: 4.096A 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 988 removed outlier: 3.616A pdb=" N LEU G 984 " --> pdb=" O ALA G 980 " (cutoff:3.500A) removed outlier: 3.904A pdb=" N ASP G 986 " --> pdb=" O THR G 982 " (cutoff:3.500A) Processing helix chain 'G' and resid 988 through 1001 removed outlier: 3.517A pdb=" N HIS G 993 " --> pdb=" O ALA G 989 " (cutoff:3.500A) removed outlier: 3.724A pdb=" N ASN G 994 " --> pdb=" O GLU G 990 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N TRP G 996 " --> pdb=" O GLY G 992 " (cutoff:3.500A) Processing helix chain 'G' and resid 1028 through 1049 removed outlier: 3.557A pdb=" N LYS G1032 " --> pdb=" O ASP G1028 " (cutoff:3.500A) removed outlier: 4.521A pdb=" N GLN G1041 " --> pdb=" O ASP G1037 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N ALA G1042 " --> pdb=" O SER G1038 " (cutoff:3.500A) removed outlier: 3.957A pdb=" N VAL G1043 " --> pdb=" O LEU G1039 " (cutoff:3.500A) removed outlier: 4.113A pdb=" N ARG G1044 " --> pdb=" O CYS G1040 " (cutoff:3.500A) removed outlier: 4.126A pdb=" N THR G1045 " --> pdb=" O GLN G1041 " (cutoff:3.500A) removed outlier: 3.692A pdb=" N LEU G1046 " --> pdb=" O ALA G1042 " (cutoff:3.500A) removed outlier: 3.523A pdb=" N LEU G1047 " --> pdb=" O VAL G1043 " (cutoff:3.500A) Processing helix chain 'G' and resid 1078 through 1082 Processing helix chain 'G' and resid 1576 through 1581 removed outlier: 3.707A pdb=" N PHE G1580 " --> pdb=" O SER G1576 " (cutoff:3.500A) removed outlier: 4.207A 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: 3.600A pdb=" N ARG G1656 " --> pdb=" O GLU G1652 " (cutoff:3.500A) Processing helix chain 'G' and resid 1658 through 1674 removed outlier: 3.758A pdb=" N TYR G1670 " --> pdb=" O THR G1666 " (cutoff:3.500A) removed outlier: 4.633A pdb=" N ARG G1671 " --> pdb=" O LEU G1667 " (cutoff:3.500A) Processing helix chain 'G' and resid 1678 through 1686 removed outlier: 3.628A pdb=" N ALA G1684 " --> pdb=" O ARG G1680 " (cutoff:3.500A) removed outlier: 4.128A pdb=" N CYS G1686 " --> pdb=" O ALA G1682 " (cutoff:3.500A) Processing helix chain 'G' and resid 1691 through 1700 removed outlier: 4.186A pdb=" N LEU G1695 " --> pdb=" O GLN G1691 " (cutoff:3.500A) removed outlier: 3.937A pdb=" N LEU G1698 " --> pdb=" O LEU G1694 " (cutoff:3.500A) removed outlier: 3.814A pdb=" N GLU G1699 " --> pdb=" O LEU G1695 " (cutoff:3.500A) removed outlier: 3.752A 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: 4.201A pdb=" N LEU G1714 " --> pdb=" O GLY G1710 " (cutoff:3.500A) removed outlier: 4.650A pdb=" N ILE G1716 " --> pdb=" O TYR G1712 " (cutoff:3.500A) Processing helix chain 'G' and resid 1723 through 1732 removed outlier: 4.334A pdb=" N SER G1732 " --> pdb=" O ARG G1728 " (cutoff:3.500A) Processing helix chain 'G' and resid 1739 through 1744 Processing helix chain 'G' and resid 1804 through 1823 removed outlier: 3.564A 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: 3.780A pdb=" N GLN G1928 " --> pdb=" O GLY G1925 " (cutoff:3.500A) removed outlier: 3.738A 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: 3.919A pdb=" N TYR G1945 " --> pdb=" O ASN G1941 " (cutoff:3.500A) removed outlier: 3.999A pdb=" N PHE G1946 " --> pdb=" O LEU G1942 " (cutoff:3.500A) removed outlier: 3.617A pdb=" N CYS G1947 " --> pdb=" O LEU G1943 " (cutoff:3.500A) removed outlier: 3.777A pdb=" N GLU G1963 " --> pdb=" O ALA G1959 " (cutoff:3.500A) removed outlier: 3.809A pdb=" N ARG G1964 " --> pdb=" O ALA G1960 " (cutoff:3.500A) removed outlier: 3.530A pdb=" N TYR G1965 " --> pdb=" O PHE G1961 " (cutoff:3.500A) removed outlier: 3.868A pdb=" N VAL G1966 " --> pdb=" O ALA G1962 " (cutoff:3.500A) removed outlier: 3.582A pdb=" N ASP G1967 " --> pdb=" O GLU G1963 " (cutoff:3.500A) removed outlier: 3.874A pdb=" N LYS G1968 " --> pdb=" O ARG G1964 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N ALA G1978 " --> pdb=" O ARG G1974 " (cutoff:3.500A) Processing helix chain 'G' and resid 1989 through 1994 removed outlier: 3.820A pdb=" N ARG G1993 " --> pdb=" O ALA G1989 " (cutoff:3.500A) removed outlier: 3.871A 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: 3.733A pdb=" N ILE G2006 " --> pdb=" O PRO G2002 " (cutoff:3.500A) removed outlier: 4.122A pdb=" N ASN G2007 " --> pdb=" O GLN G2003 " (cutoff:3.500A) removed outlier: 4.331A pdb=" N HIS G2011 " --> pdb=" O ASN G2007 " (cutoff:3.500A) Processing helix chain 'G' and resid 2026 through 2042 removed outlier: 3.696A pdb=" N ASP G2030 " --> pdb=" O ASP G2026 " (cutoff:3.500A) removed outlier: 4.051A pdb=" N LEU G2031 " --> pdb=" O ILE G2027 " (cutoff:3.500A) removed outlier: 3.806A pdb=" N GLN G2032 " --> pdb=" O ARG G2028 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N LEU G2039 " --> pdb=" O HIS G2035 " (cutoff:3.500A) Processing helix chain 'G' and resid 2094 through 2108 removed outlier: 3.683A pdb=" N VAL G2103 " --> pdb=" O SER G2099 " (cutoff:3.500A) removed outlier: 3.675A pdb=" N TRP G2105 " --> pdb=" O MET G2101 " (cutoff:3.500A) Processing helix chain 'G' and resid 2113 through 2129 removed outlier: 3.679A pdb=" N VAL G2117 " --> pdb=" O SER G2113 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N LEU G2123 " --> pdb=" O ALA G2119 " (cutoff:3.500A) Processing helix chain 'G' and resid 2129 through 2138 Processing helix chain 'G' and resid 2139 through 2141 No H-bonds generated for 'chain 'G' and resid 2139 through 2141' Processing helix chain 'G' and resid 2148 through 2165 removed outlier: 4.225A pdb=" N CYS G2158 " --> pdb=" O SER G2154 " (cutoff:3.500A) removed outlier: 3.594A pdb=" N GLN G2161 " --> pdb=" O GLU G2157 " (cutoff:3.500A) Processing helix chain 'G' and resid 2171 through 2187 removed outlier: 3.631A 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: 3.871A pdb=" N MET G2198 " --> pdb=" O HIS G2194 " (cutoff:3.500A) Processing helix chain 'G' and resid 2202 through 2216 removed outlier: 3.785A pdb=" N VAL G2210 " --> pdb=" O THR G2206 " (cutoff:3.500A) removed outlier: 3.654A pdb=" N ASN G2213 " --> pdb=" O GLU G2209 " (cutoff:3.500A) Processing helix chain 'G' and resid 2230 through 2242 removed outlier: 3.728A pdb=" N TYR G2238 " --> pdb=" O ARG G2234 " (cutoff:3.500A) Processing helix chain 'G' and resid 2245 through 2252 removed outlier: 3.707A pdb=" N ASP G2252 " --> pdb=" O ARG G2248 " (cutoff:3.500A) Processing helix chain 'G' and resid 2253 through 2262 removed outlier: 4.161A pdb=" N ASN G2260 " --> pdb=" O TYR G2256 " (cutoff:3.500A) removed outlier: 3.543A pdb=" N GLY G2262 " --> pdb=" O LEU G2258 " (cutoff:3.500A) Processing helix chain 'G' and resid 2271 through 2279 removed outlier: 3.634A pdb=" N ALA G2276 " --> pdb=" O PRO G2272 " (cutoff:3.500A) removed outlier: 3.620A pdb=" N SER G2279 " --> pdb=" O VAL G2275 " (cutoff:3.500A) Processing helix chain 'G' and resid 2294 through 2304 removed outlier: 3.581A 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: 3.663A pdb=" N TYR G2331 " --> pdb=" O GLY G2327 " (cutoff:3.500A) Processing helix chain 'G' and resid 2346 through 2356 removed outlier: 4.000A pdb=" N ALA G2350 " --> pdb=" O VAL G2346 " (cutoff:3.500A) removed outlier: 5.055A pdb=" N VAL G2352 " --> pdb=" O GLU G2348 " (cutoff:3.500A) removed outlier: 3.936A pdb=" N VAL G2353 " --> pdb=" O ASN G2349 " (cutoff:3.500A) removed outlier: 3.616A pdb=" N LEU G2356 " --> pdb=" O VAL G2352 " (cutoff:3.500A) Processing helix chain 'G' and resid 2360 through 2364 Processing helix chain 'G' and resid 2375 through 2388 removed outlier: 3.694A 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 2417 through 2435 removed outlier: 4.015A pdb=" N ALA G2421 " --> pdb=" O HIS G2417 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N MET G2423 " --> pdb=" O GLY G2419 " (cutoff:3.500A) removed outlier: 3.738A pdb=" N ALA G2428 " --> pdb=" O SER G2424 " (cutoff:3.500A) Processing helix chain 'G' and resid 2440 through 2445 removed outlier: 3.599A pdb=" N ALA G2445 " --> pdb=" O HIS G2441 " (cutoff:3.500A) Processing helix chain 'G' and resid 2448 through 2461 removed outlier: 3.849A pdb=" N ILE G2453 " --> pdb=" O GLU G2449 " (cutoff:3.500A) Processing helix chain 'G' and resid 2466 through 2471 removed outlier: 3.861A pdb=" N ILE G2470 " --> pdb=" O LEU G2466 " (cutoff:3.500A) Processing helix chain 'G' and resid 2502 through 2507 removed outlier: 3.730A pdb=" N UNK G2506 " --> pdb=" O UNK G2502 " (cutoff:3.500A) Processing helix chain 'G' and resid 2516 through 2522 Processing helix chain 'G' and resid 2524 through 2530 removed outlier: 3.747A pdb=" N UNK G2528 " --> pdb=" O UNK G2524 " (cutoff:3.500A) Processing helix chain 'G' and resid 2542 through 2548 removed outlier: 3.673A pdb=" N UNK G2546 " --> pdb=" O UNK G2542 " (cutoff:3.500A) Processing helix chain 'G' and resid 2551 through 2557 removed outlier: 3.845A pdb=" N UNK G2555 " --> pdb=" O UNK G2551 " (cutoff:3.500A) Processing helix chain 'G' and resid 2567 through 2581 removed outlier: 3.504A pdb=" N UNK G2578 " --> pdb=" O UNK G2574 " (cutoff:3.500A) Processing helix chain 'G' and resid 2587 through 2602 removed outlier: 3.869A pdb=" N UNK G2602 " --> pdb=" O UNK G2598 " (cutoff:3.500A) Processing helix chain 'G' and resid 2610 through 2618 removed outlier: 3.584A pdb=" N UNK G2617 " --> pdb=" O UNK G2613 " (cutoff:3.500A) removed outlier: 3.701A pdb=" N UNK G2618 " --> pdb=" O UNK G2614 " (cutoff:3.500A) Processing helix chain 'G' and resid 2626 through 2641 removed outlier: 3.931A pdb=" N UNK G2630 " --> pdb=" O UNK G2626 " (cutoff:3.500A) removed outlier: 3.973A pdb=" N UNK G2631 " --> pdb=" O UNK G2627 " (cutoff:3.500A) removed outlier: 3.561A pdb=" N UNK G2634 " --> pdb=" O UNK G2630 " (cutoff:3.500A) removed outlier: 3.567A pdb=" N UNK G2635 " --> pdb=" O UNK G2631 " (cutoff:3.500A) removed outlier: 3.548A pdb=" N UNK G2639 " --> pdb=" O UNK G2635 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N UNK G2641 " --> pdb=" O UNK G2637 " (cutoff:3.500A) Processing helix chain 'G' and resid 2650 through 2665 Processing helix chain 'G' and resid 2751 through 2773 removed outlier: 3.576A pdb=" N HIS G2763 " --> pdb=" O ALA G2759 " (cutoff:3.500A) removed outlier: 3.673A pdb=" N PHE G2768 " --> pdb=" O GLU G2764 " (cutoff:3.500A) removed outlier: 3.673A pdb=" N ASP G2769 " --> pdb=" O LYS G2765 " (cutoff:3.500A) Processing helix chain 'G' and resid 2793 through 2797 removed outlier: 3.502A pdb=" N THR G2796 " --> pdb=" O PRO G2793 " (cutoff:3.500A) removed outlier: 3.597A 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: 3.762A pdb=" N ILE G2804 " --> pdb=" O ASP G2801 " (cutoff:3.500A) Processing helix chain 'G' and resid 2809 through 2820 removed outlier: 4.005A pdb=" N ALA G2815 " --> pdb=" O GLU G2811 " (cutoff:3.500A) removed outlier: 3.910A pdb=" N MET G2816 " --> pdb=" O SER G2812 " (cutoff:3.500A) removed outlier: 3.533A pdb=" N ALA G2818 " --> pdb=" O LYS G2814 " (cutoff:3.500A) Processing helix chain 'G' and resid 2868 through 2895 removed outlier: 4.091A pdb=" N MET G2874 " --> pdb=" O GLU G2870 " (cutoff:3.500A) removed outlier: 3.551A pdb=" N GLU G2876 " --> pdb=" O GLN G2872 " (cutoff:3.500A) removed outlier: 4.107A pdb=" N TRP G2886 " --> pdb=" O TYR G2882 " (cutoff:3.500A) Processing helix chain 'G' and resid 2912 through 2932 removed outlier: 3.738A pdb=" N LYS G2916 " --> pdb=" O THR G2912 " (cutoff:3.500A) removed outlier: 3.526A pdb=" N ARG G2918 " --> pdb=" O LYS G2914 " (cutoff:3.500A) removed outlier: 3.650A pdb=" N ARG G2920 " --> pdb=" O LYS G2916 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N GLU G2921 " --> pdb=" O ALA G2917 " (cutoff:3.500A) removed outlier: 3.523A 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: 4.112A pdb=" N UNK G2956 " --> pdb=" O UNK G2952 " (cutoff:3.500A) removed outlier: 3.540A pdb=" N UNK G2968 " --> pdb=" O UNK G2964 " (cutoff:3.500A) removed outlier: 3.803A pdb=" N UNK G2969 " --> pdb=" O UNK G2965 " (cutoff:3.500A) Processing helix chain 'G' and resid 2999 through 3015 removed outlier: 3.660A pdb=" N UNK G3004 " --> pdb=" O UNK G3000 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N UNK G3006 " --> pdb=" O UNK G3002 " (cutoff:3.500A) removed outlier: 3.690A pdb=" N UNK G3009 " --> pdb=" O UNK G3005 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N UNK G3010 " --> pdb=" O UNK G3006 " (cutoff:3.500A) removed outlier: 3.755A 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 3025 through 3040 removed outlier: 4.235A pdb=" N UNK G3032 " --> pdb=" O UNK G3028 " (cutoff:3.500A) removed outlier: 3.569A pdb=" N UNK G3037 " --> pdb=" O UNK G3033 " (cutoff:3.500A) removed outlier: 3.541A pdb=" N UNK G3040 " --> pdb=" O UNK G3036 " (cutoff:3.500A) Processing helix chain 'G' and resid 3052 through 3063 removed outlier: 4.144A pdb=" N UNK G3056 " --> pdb=" O UNK G3052 " (cutoff:3.500A) removed outlier: 3.523A pdb=" N UNK G3057 " --> pdb=" O UNK G3053 " (cutoff:3.500A) removed outlier: 4.532A pdb=" N UNK G3061 " --> pdb=" O UNK G3057 " (cutoff:3.500A) removed outlier: 4.183A 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: 4.060A pdb=" N UNK G3154 " --> pdb=" O UNK G3150 " (cutoff:3.500A) removed outlier: 3.506A pdb=" N UNK G3155 " --> pdb=" O UNK G3151 " (cutoff:3.500A) Processing helix chain 'G' and resid 3175 through 3186 removed outlier: 3.774A pdb=" N UNK G3182 " --> pdb=" O UNK G3178 " (cutoff:3.500A) Processing helix chain 'G' and resid 3198 through 3212 removed outlier: 3.574A pdb=" N UNK G3205 " --> pdb=" O UNK G3201 " (cutoff:3.500A) Processing helix chain 'G' and resid 3224 through 3230 removed outlier: 3.843A pdb=" N UNK G3228 " --> pdb=" O UNK G3224 " (cutoff:3.500A) Processing helix chain 'G' and resid 3248 through 3254 removed outlier: 3.593A 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: 3.893A pdb=" N UNK G3284 " --> pdb=" O UNK G3280 " (cutoff:3.500A) Processing helix chain 'G' and resid 3301 through 3304 Processing helix chain 'G' and resid 3305 through 3310 Processing helix chain 'G' and resid 3316 through 3331 removed outlier: 3.602A pdb=" N UNK G3321 " --> pdb=" O UNK G3317 " (cutoff:3.500A) removed outlier: 3.983A pdb=" N UNK G3323 " --> pdb=" O UNK G3319 " (cutoff:3.500A) removed outlier: 4.652A pdb=" N UNK G3324 " --> pdb=" O UNK G3320 " (cutoff:3.500A) removed outlier: 3.603A 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: 3.902A pdb=" N UNK G3405 " --> pdb=" O UNK G3401 " (cutoff:3.500A) removed outlier: 3.767A pdb=" N UNK G3407 " --> pdb=" O UNK G3403 " (cutoff:3.500A) removed outlier: 3.979A pdb=" N UNK G3409 " --> pdb=" O UNK G3405 " (cutoff:3.500A) Processing helix chain 'G' and resid 3410 through 3425 removed outlier: 3.779A pdb=" N UNK G3416 " --> pdb=" O UNK G3412 " (cutoff:3.500A) removed outlier: 3.548A pdb=" N UNK G3417 " --> pdb=" O UNK G3413 " (cutoff:3.500A) removed outlier: 4.269A pdb=" N UNK G3420 " --> pdb=" O UNK G3416 " (cutoff:3.500A) removed outlier: 3.526A 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 Processing helix chain 'G' and resid 3518 through 3521 removed outlier: 3.520A pdb=" N UNK G3521 " --> pdb=" O UNK G3518 " (cutoff:3.500A) No H-bonds generated for 'chain 'G' and resid 3518 through 3521' Processing helix chain 'G' and resid 3522 through 3529 removed outlier: 3.691A pdb=" N UNK G3529 " --> pdb=" O UNK G3525 " (cutoff:3.500A) Processing helix chain 'G' and resid 3551 through 3560 Processing helix chain 'G' and resid 3574 through 3583 removed outlier: 3.644A pdb=" N UNK G3579 " --> pdb=" O UNK G3575 " (cutoff:3.500A) removed outlier: 4.860A pdb=" N UNK G3580 " --> pdb=" O UNK G3576 " (cutoff:3.500A) removed outlier: 4.606A pdb=" N UNK G3583 " --> pdb=" O UNK G3579 " (cutoff:3.500A) Processing helix chain 'G' and resid 3588 through 3611 removed outlier: 4.090A pdb=" N UNK G3592 " --> pdb=" O UNK G3588 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N UNK G3593 " --> pdb=" O UNK G3589 " (cutoff:3.500A) removed outlier: 3.938A pdb=" N UNK G3595 " --> pdb=" O UNK G3591 " (cutoff:3.500A) removed outlier: 3.735A pdb=" N UNK G3598 " --> pdb=" O UNK G3594 " (cutoff:3.500A) removed outlier: 3.957A pdb=" N UNK G3600 " --> pdb=" O UNK G3596 " (cutoff:3.500A) removed outlier: 3.903A pdb=" N UNK G3601 " --> pdb=" O UNK G3597 " (cutoff:3.500A) removed outlier: 3.710A pdb=" N UNK G3610 " --> pdb=" O UNK G3606 " (cutoff:3.500A) removed outlier: 3.896A pdb=" N UNK G3611 " --> pdb=" O UNK G3607 " (cutoff:3.500A) Processing helix chain 'G' and resid 3645 through 3656 removed outlier: 3.874A 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: 3.646A pdb=" N ASP G3676 " --> pdb=" O ARG G3672 " (cutoff:3.500A) removed outlier: 3.886A pdb=" N LEU G3677 " --> pdb=" O MET G3673 " (cutoff:3.500A) removed outlier: 3.863A 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: 3.647A pdb=" N ALA G3709 " --> pdb=" O PHE G3705 " (cutoff:3.500A) removed outlier: 3.916A pdb=" N THR G3711 " --> pdb=" O ARG G3707 " (cutoff:3.500A) Processing helix chain 'G' and resid 3719 through 3738 removed outlier: 3.907A pdb=" N GLU G3736 " --> pdb=" O SER G3732 " (cutoff:3.500A) Processing helix chain 'G' and resid 3755 through 3770 removed outlier: 4.049A pdb=" N GLU G3759 " --> pdb=" O GLU G3755 " (cutoff:3.500A) removed outlier: 3.852A pdb=" N LYS G3760 " --> pdb=" O LYS G3756 " (cutoff:3.500A) removed outlier: 3.536A pdb=" N LEU G3764 " --> pdb=" O LYS G3760 " (cutoff:3.500A) removed outlier: 4.198A pdb=" N GLN G3767 " --> pdb=" O LEU G3763 " (cutoff:3.500A) removed outlier: 4.121A pdb=" N SER G3768 " --> pdb=" O LEU G3764 " (cutoff:3.500A) Processing helix chain 'G' and resid 3771 through 3784 removed outlier: 3.569A pdb=" N ALA G3775 " --> pdb=" O HIS G3771 " (cutoff:3.500A) removed outlier: 4.047A pdb=" N GLU G3777 " --> pdb=" O ARG G3773 " (cutoff:3.500A) removed outlier: 3.847A pdb=" N MET G3778 " --> pdb=" O GLY G3774 " (cutoff:3.500A) removed outlier: 3.718A pdb=" N VAL G3779 " --> pdb=" O ALA G3775 " (cutoff:3.500A) removed outlier: 5.464A pdb=" N LEU G3780 " --> pdb=" O ALA G3776 " (cutoff:3.500A) Processing helix chain 'G' and resid 3791 through 3805 removed outlier: 4.023A pdb=" N LYS G3799 " --> pdb=" O SER G3795 " (cutoff:3.500A) removed outlier: 3.619A pdb=" N LEU G3800 " --> pdb=" O SER G3796 " (cutoff:3.500A) removed outlier: 3.583A pdb=" N LEU G3805 " --> pdb=" O GLY G3801 " (cutoff:3.500A) Processing helix chain 'G' and resid 3809 through 3824 Processing helix chain 'G' and resid 3828 through 3838 removed outlier: 3.531A pdb=" N ILE G3832 " --> pdb=" O PHE G3828 " (cutoff:3.500A) Processing helix chain 'G' and resid 3843 through 3854 removed outlier: 3.610A pdb=" N LYS G3852 " --> pdb=" O GLU G3848 " (cutoff:3.500A) Processing helix chain 'G' and resid 3877 through 3890 removed outlier: 4.395A pdb=" N ASP G3883 " --> pdb=" O GLU G3879 " (cutoff:3.500A) removed outlier: 3.506A pdb=" N ARG G3886 " --> pdb=" O GLN G3882 " (cutoff:3.500A) removed outlier: 3.597A pdb=" N PHE G3887 " --> pdb=" O ASP G3883 " (cutoff:3.500A) removed outlier: 3.611A pdb=" N LEU G3888 " --> pdb=" O LEU G3884 " (cutoff:3.500A) removed outlier: 3.559A pdb=" N LEU G3890 " --> pdb=" O ARG G3886 " (cutoff:3.500A) Processing helix chain 'G' and resid 3898 through 3903 Processing helix chain 'G' and resid 3914 through 3932 removed outlier: 3.868A pdb=" N CYS G3918 " --> pdb=" O ASN G3914 " (cutoff:3.500A) removed outlier: 3.543A pdb=" N GLU G3928 " --> pdb=" O LEU G3924 " (cutoff:3.500A) Processing helix chain 'G' and resid 3932 through 3938 removed outlier: 4.016A pdb=" N TYR G3936 " --> pdb=" O ASP G3932 " (cutoff:3.500A) removed outlier: 3.888A pdb=" N TYR G3937 " --> pdb=" O PHE G3933 " (cutoff:3.500A) Processing helix chain 'G' and resid 3944 through 3970 removed outlier: 3.667A pdb=" N LYS G3953 " --> pdb=" O ARG G3949 " (cutoff:3.500A) removed outlier: 4.779A pdb=" N ALA G3954 " --> pdb=" O ASN G3950 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N MET G3955 " --> pdb=" O PHE G3951 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N LYS G3959 " --> pdb=" O MET G3955 " (cutoff:3.500A) removed outlier: 3.913A pdb=" N GLN G3960 " --> pdb=" O SER G3956 " (cutoff:3.500A) removed outlier: 3.551A pdb=" N GLU G3967 " --> pdb=" O ASN G3963 " (cutoff:3.500A) removed outlier: 3.657A pdb=" N TYR G3968 " --> pdb=" O SER G3964 " (cutoff:3.500A) removed outlier: 3.895A pdb=" N ILE G3969 " --> pdb=" O LEU G3965 " (cutoff:3.500A) Processing helix chain 'G' and resid 3973 through 3982 removed outlier: 3.582A pdb=" N HIS G3982 " --> pdb=" O GLN G3978 " (cutoff:3.500A) Processing helix chain 'G' and resid 3984 through 4005 removed outlier: 3.689A pdb=" N ALA G3988 " --> pdb=" O ARG G3984 " (cutoff:3.500A) removed outlier: 3.879A pdb=" N GLY G3991 " --> pdb=" O ASP G3987 " (cutoff:3.500A) removed outlier: 3.840A pdb=" N PHE G3992 " --> pdb=" O ALA G3988 " (cutoff:3.500A) removed outlier: 4.059A pdb=" N LEU G3993 " --> pdb=" O VAL G3989 " (cutoff:3.500A) removed outlier: 3.502A pdb=" N HIS G3994 " --> pdb=" O VAL G3990 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N HIS G3998 " --> pdb=" O HIS G3994 " (cutoff:3.500A) removed outlier: 4.172A pdb=" N MET G4000 " --> pdb=" O PHE G3996 " (cutoff:3.500A) removed outlier: 3.597A pdb=" N ALA G4004 " --> pdb=" O MET G4000 " (cutoff:3.500A) removed outlier: 3.957A pdb=" N GLN G4005 " --> pdb=" O MET G4001 " (cutoff:3.500A) Processing helix chain 'G' and resid 4006 through 4008 No H-bonds generated for 'chain 'G' and resid 4006 through 4008' Processing helix chain 'G' and resid 4009 through 4032 removed outlier: 4.248A pdb=" N MET G4026 " --> pdb=" O ASP G4022 " (cutoff:3.500A) removed outlier: 3.639A pdb=" N LEU G4027 " --> pdb=" O MET G4023 " (cutoff:3.500A) removed outlier: 4.003A pdb=" N LEU G4031 " --> pdb=" O LEU G4027 " (cutoff:3.500A) removed outlier: 3.568A pdb=" N GLU G4032 " --> pdb=" O LEU G4028 " (cutoff:3.500A) Processing helix chain 'G' and resid 4039 through 4051 removed outlier: 3.799A pdb=" N ASP G4046 " --> pdb=" O ARG G4042 " (cutoff:3.500A) removed outlier: 3.651A pdb=" N SER G4051 " --> pdb=" O MET G4047 " (cutoff:3.500A) Processing helix chain 'G' and resid 4051 through 4063 removed outlier: 3.618A pdb=" N LYS G4060 " --> pdb=" O GLU G4056 " (cutoff:3.500A) removed outlier: 4.089A pdb=" N PHE G4061 " --> pdb=" O MET G4057 " (cutoff:3.500A) removed outlier: 3.680A pdb=" N PHE G4062 " --> pdb=" O ILE G4058 " (cutoff:3.500A) Processing helix chain 'G' and resid 4067 through 4072 Processing helix chain 'G' and resid 4074 through 4081 removed outlier: 4.223A pdb=" N TYR G4080 " --> pdb=" O ALA G4076 " (cutoff:3.500A) removed outlier: 3.997A pdb=" N VAL G4081 " --> pdb=" O PHE G4077 " (cutoff:3.500A) Processing helix chain 'G' and resid 4090 through 4100 removed outlier: 3.598A 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: 3.723A pdb=" N MET G4122 " --> pdb=" O ASP G4118 " (cutoff:3.500A) Processing helix chain 'G' and resid 4124 through 4132 removed outlier: 3.930A pdb=" N ARG G4131 " --> pdb=" O GLU G4127 " (cutoff:3.500A) removed outlier: 3.842A pdb=" N PHE G4132 " --> pdb=" O PHE G4128 " (cutoff:3.500A) Processing helix chain 'G' and resid 4136 through 4154 removed outlier: 3.589A pdb=" N PHE G4141 " --> pdb=" O ARG G4137 " (cutoff:3.500A) removed outlier: 3.611A pdb=" N LEU G4146 " --> pdb=" O ASN G4142 " (cutoff:3.500A) removed outlier: 3.583A pdb=" N GLU G4152 " --> pdb=" O THR G4148 " (cutoff:3.500A) removed outlier: 3.749A 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: 3.910A pdb=" N ARG G4202 " --> pdb=" O SER G4198 " (cutoff:3.500A) Processing helix chain 'G' and resid 4207 through 4224 removed outlier: 4.032A pdb=" N VAL G4222 " --> pdb=" O ILE G4218 " (cutoff:3.500A) Processing helix chain 'G' and resid 4228 through 4252 removed outlier: 4.143A pdb=" N PHE G4234 " --> pdb=" O LYS G4230 " (cutoff:3.500A) removed outlier: 3.694A pdb=" N PHE G4243 " --> pdb=" O GLU G4239 " (cutoff:3.500A) removed outlier: 3.800A pdb=" N GLN G4250 " --> pdb=" O GLN G4246 " (cutoff:3.500A) removed outlier: 3.990A pdb=" N ILE G4251 " --> pdb=" O ILE G4247 " (cutoff:3.500A) removed outlier: 3.648A pdb=" N SER G4252 " --> pdb=" O ALA G4248 " (cutoff:3.500A) Processing helix chain 'G' and resid 4543 through 4556 removed outlier: 4.014A pdb=" N TYR G4554 " --> pdb=" O LYS G4550 " (cutoff:3.500A) Processing helix chain 'G' and resid 4558 through 4576 removed outlier: 3.570A pdb=" N LEU G4562 " --> pdb=" O ASN G4558 " (cutoff:3.500A) removed outlier: 3.507A pdb=" N ALA G4570 " --> pdb=" O ALA G4566 " (cutoff:3.500A) removed outlier: 3.946A pdb=" N PHE G4571 " --> pdb=" O LEU G4567 " (cutoff:3.500A) removed outlier: 3.738A pdb=" N ALA G4572 " --> pdb=" O PHE G4568 " (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: 3.765A pdb=" N THR G4651 " --> pdb=" O SER G4647 " (cutoff:3.500A) removed outlier: 3.651A 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: 3.784A pdb=" N ILE G4659 " --> pdb=" O PHE G4655 " (cutoff:3.500A) Processing helix chain 'G' and resid 4667 through 4683 removed outlier: 3.655A 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 4706 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: 3.592A pdb=" N ALA G4752 " --> pdb=" O LEU G4748 " (cutoff:3.500A) Processing helix chain 'G' and resid 4772 through 4786 removed outlier: 3.558A pdb=" N ASP G4786 " --> pdb=" O VAL G4782 " (cutoff:3.500A) Processing helix chain 'G' and resid 4786 through 4803 removed outlier: 4.013A pdb=" N MET G4798 " --> pdb=" O TRP G4794 " (cutoff:3.500A) removed outlier: 4.021A pdb=" N SER G4799 " --> pdb=" O TYR G4795 " (cutoff:3.500A) removed outlier: 3.517A pdb=" N HIS G4803 " --> pdb=" O SER G4799 " (cutoff:3.500A) Processing helix chain 'G' and resid 4811 through 4819 removed outlier: 4.192A pdb=" N ASP G4815 " --> pdb=" O ALA G4811 " (cutoff:3.500A) removed outlier: 3.957A pdb=" N ILE G4816 " --> pdb=" O HIS G4812 " (cutoff:3.500A) removed outlier: 3.983A pdb=" N ALA G4817 " --> pdb=" O LEU G4813 " (cutoff:3.500A) removed outlier: 3.795A pdb=" N MET G4818 " --> pdb=" O LEU G4814 " (cutoff:3.500A) Processing helix chain 'G' and resid 4820 through 4833 removed outlier: 3.987A pdb=" N ILE G4826 " --> pdb=" O THR G4822 " (cutoff:3.500A) removed outlier: 3.574A pdb=" N SER G4829 " --> pdb=" O THR G4825 " (cutoff:3.500A) removed outlier: 3.603A pdb=" N VAL G4830 " --> pdb=" O ILE G4826 " (cutoff:3.500A) Processing helix chain 'G' and resid 4833 through 4858 removed outlier: 4.048A pdb=" N VAL G4838 " --> pdb=" O GLY G4834 " (cutoff:3.500A) removed outlier: 4.417A pdb=" N MET G4839 " --> pdb=" O LYS G4835 " (cutoff:3.500A) removed outlier: 3.517A pdb=" N THR G4840 " --> pdb=" O GLN G4836 " (cutoff:3.500A) removed outlier: 3.518A pdb=" N GLY G4842 " --> pdb=" O VAL G4838 " (cutoff:3.500A) removed outlier: 3.543A pdb=" N ALA G4845 " --> pdb=" O VAL G4841 " (cutoff:3.500A) removed outlier: 3.773A pdb=" N VAL G4848 " --> pdb=" O LEU G4844 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N VAL G4853 " --> pdb=" O TYR G4849 " (cutoff:3.500A) removed outlier: 3.635A pdb=" N VAL G4854 " --> pdb=" O LEU G4850 " (cutoff:3.500A) removed outlier: 4.014A pdb=" N ALA G4855 " --> pdb=" O TYR G4851 " (cutoff:3.500A) Processing helix chain 'G' and resid 4859 through 4863 removed outlier: 4.201A pdb=" N PHE G4862 " --> pdb=" O PHE G4859 " (cutoff:3.500A) removed outlier: 3.891A 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 4887 removed outlier: 3.782A pdb=" N PHE G4885 " --> pdb=" O THR G4881 " (cutoff:3.500A) removed outlier: 3.623A pdb=" N HIS G4886 " --> pdb=" O CYS G4882 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N MET G4887 " --> pdb=" O TYR G4883 " (cutoff:3.500A) Processing helix chain 'G' and resid 4896 through 4900 removed outlier: 3.846A pdb=" N ASP G4899 " --> pdb=" O GLY G4896 " (cutoff:3.500A) removed outlier: 3.526A 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 4909 through 4923 removed outlier: 3.801A pdb=" N VAL G4914 " --> pdb=" O GLU G4910 " (cutoff:3.500A) removed outlier: 4.380A pdb=" N VAL G4915 " --> pdb=" O LEU G4911 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N ILE G4918 " --> pdb=" O VAL G4914 " (cutoff:3.500A) removed outlier: 3.649A pdb=" N PHE G4921 " --> pdb=" O ASP G4917 " (cutoff:3.500A) removed outlier: 3.550A pdb=" N PHE G4922 " --> pdb=" O ILE G4918 " (cutoff:3.500A) removed outlier: 3.715A pdb=" N PHE G4923 " --> pdb=" O THR G4919 " (cutoff:3.500A) Processing helix chain 'G' and resid 4924 through 4957 removed outlier: 3.745A pdb=" N LEU G4929 " --> pdb=" O ILE G4925 " (cutoff:3.500A) removed outlier: 4.136A pdb=" N ALA G4930 " --> pdb=" O VAL G4926 " (cutoff:3.500A) removed outlier: 3.722A pdb=" N ILE G4936 " --> pdb=" O ILE G4932 " (cutoff:3.500A) removed outlier: 3.681A pdb=" N ALA G4939 " --> pdb=" O LEU G4935 " (cutoff:3.500A) removed outlier: 3.562A pdb=" N VAL G4950 " --> pdb=" O GLN G4946 " (cutoff:3.500A) removed outlier: 3.550A pdb=" N LYS G4951 " --> pdb=" O GLN G4947 " (cutoff:3.500A) removed outlier: 3.624A pdb=" N GLU G4952 " --> pdb=" O GLU G4948 " (cutoff:3.500A) removed outlier: 3.970A pdb=" N MET G4954 " --> pdb=" O VAL G4950 " (cutoff:3.500A) removed outlier: 3.856A pdb=" N GLU G4955 " --> pdb=" O LYS G4951 " (cutoff:3.500A) removed outlier: 3.538A pdb=" N LYS G4957 " --> pdb=" O ASP G4953 " (cutoff:3.500A) Processing helix chain 'G' and resid 4964 through 4970 removed outlier: 4.395A pdb=" N PHE G4968 " --> 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: 3.650A pdb=" N PHE G4990 " --> pdb=" O ALA G4986 " (cutoff:3.500A) Processing helix chain 'G' and resid 5004 through 5017 removed outlier: 3.795A 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: 4.028A pdb=" N GLY H 62 " --> pdb=" O GLY H 58 " (cutoff:3.500A) removed outlier: 3.506A pdb=" N ALA H 63 " --> pdb=" O PHE H 59 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N ALA H 64 " --> pdb=" O GLU H 60 " (cutoff:3.500A) removed outlier: 3.559A pdb=" N GLN H 65 " --> pdb=" O GLU H 61 " (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: 3.827A pdb=" N ARG I 402 " --> pdb=" O SER I 398 " (cutoff:3.500A) removed outlier: 3.534A pdb=" N LEU I 410 " --> pdb=" O SER I 406 " (cutoff:3.500A) Processing helix chain 'I' and resid 414 through 419 Processing helix chain 'I' and resid 438 through 452 removed outlier: 3.719A pdb=" N GLY I 450 " --> pdb=" O GLN I 446 " (cutoff:3.500A) Processing helix chain 'I' and resid 460 through 478 removed outlier: 3.514A pdb=" N GLN I 465 " --> pdb=" O HIS I 461 " (cutoff:3.500A) removed outlier: 3.872A pdb=" N SER I 466 " --> pdb=" O GLU I 462 " (cutoff:3.500A) removed outlier: 3.859A 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: 4.157A pdb=" N LYS I 516 " --> pdb=" O ALA I 512 " (cutoff:3.500A) removed outlier: 4.491A pdb=" N GLU I 517 " --> pdb=" O GLU I 513 " (cutoff:3.500A) removed outlier: 3.591A pdb=" N ILE I 518 " --> pdb=" O SER I 514 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N TYR I 523 " --> pdb=" O VAL I 519 " (cutoff:3.500A) removed outlier: 3.715A pdb=" N GLU I 524 " --> pdb=" O ASN I 520 " (cutoff:3.500A) removed outlier: 3.928A pdb=" N SER I 528 " --> pdb=" O GLU I 524 " (cutoff:3.500A) removed outlier: 4.029A pdb=" N LEU I 529 " --> pdb=" O LEU I 525 " (cutoff:3.500A) removed outlier: 3.549A pdb=" N ILE I 530 " --> pdb=" O LEU I 526 " (cutoff:3.500A) Processing helix chain 'I' and resid 538 through 542 removed outlier: 3.616A pdb=" N SER I 541 " --> pdb=" O ALA I 538 " (cutoff:3.500A) removed outlier: 4.099A 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: 3.855A pdb=" N VAL I 548 " --> pdb=" O LEU I 544 " (cutoff:3.500A) Processing helix chain 'I' and resid 559 through 571 removed outlier: 3.771A pdb=" N TYR I 565 " --> pdb=" O LEU I 561 " (cutoff:3.500A) removed outlier: 4.321A pdb=" N GLU I 570 " --> pdb=" O CYS I 566 " (cutoff:3.500A) removed outlier: 3.870A pdb=" N SER I 571 " --> pdb=" O VAL I 567 " (cutoff:3.500A) Processing helix chain 'I' and resid 571 through 577 removed outlier: 3.981A 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: 4.030A pdb=" N LEU I 600 " --> pdb=" O ASN I 596 " (cutoff:3.500A) removed outlier: 3.598A pdb=" N LEU I 603 " --> pdb=" O VAL I 599 " (cutoff:3.500A) removed outlier: 3.620A pdb=" N CYS I 607 " --> pdb=" O LEU I 603 " (cutoff:3.500A) removed outlier: 4.257A pdb=" N VAL I 608 " --> pdb=" O CYS I 604 " (cutoff:3.500A) Processing helix chain 'I' and resid 614 through 625 removed outlier: 3.968A pdb=" N GLN I 618 " --> pdb=" O VAL I 614 " (cutoff:3.500A) removed outlier: 3.645A pdb=" N ASP I 619 " --> pdb=" O ARG I 615 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N ILE I 621 " --> pdb=" O ASN I 617 " (cutoff:3.500A) removed outlier: 3.591A pdb=" N THR I 622 " --> pdb=" O GLN I 618 " (cutoff:3.500A) Processing helix chain 'I' and resid 864 through 889 removed outlier: 4.106A pdb=" N GLU I 872 " --> pdb=" O GLU I 868 " (cutoff:3.500A) removed outlier: 4.447A pdb=" N LYS I 873 " --> pdb=" O ARG I 869 " (cutoff:3.500A) removed outlier: 3.873A pdb=" N HIS I 879 " --> pdb=" O ALA I 875 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ARG I 886 " --> pdb=" O TRP I 882 " (cutoff:3.500A) removed outlier: 3.713A pdb=" N ILE I 887 " --> pdb=" O ALA I 883 " (cutoff:3.500A) Processing helix chain 'I' and resid 914 through 932 removed outlier: 3.636A pdb=" N LEU I 932 " --> pdb=" O THR I 928 " (cutoff:3.500A) Processing helix chain 'I' and resid 933 through 936 removed outlier: 4.096A 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 988 removed outlier: 3.617A pdb=" N LEU I 984 " --> pdb=" O ALA I 980 " (cutoff:3.500A) removed outlier: 3.904A pdb=" N ASP I 986 " --> pdb=" O THR I 982 " (cutoff:3.500A) Processing helix chain 'I' and resid 988 through 1001 removed outlier: 3.517A pdb=" N HIS I 993 " --> pdb=" O ALA I 989 " (cutoff:3.500A) removed outlier: 3.724A pdb=" N ASN I 994 " --> pdb=" O GLU I 990 " (cutoff:3.500A) removed outlier: 3.593A pdb=" N TRP I 996 " --> pdb=" O GLY I 992 " (cutoff:3.500A) Processing helix chain 'I' and resid 1028 through 1049 removed outlier: 3.557A pdb=" N LYS I1032 " --> pdb=" O ASP I1028 " (cutoff:3.500A) removed outlier: 4.520A pdb=" N GLN I1041 " --> pdb=" O ASP I1037 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N ALA I1042 " --> pdb=" O SER I1038 " (cutoff:3.500A) removed outlier: 3.957A pdb=" N VAL I1043 " --> pdb=" O LEU I1039 " (cutoff:3.500A) removed outlier: 4.114A pdb=" N ARG I1044 " --> pdb=" O CYS I1040 " (cutoff:3.500A) removed outlier: 4.128A pdb=" N THR I1045 " --> pdb=" O GLN I1041 " (cutoff:3.500A) removed outlier: 3.692A pdb=" N LEU I1046 " --> pdb=" O ALA I1042 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N LEU I1047 " --> pdb=" O VAL I1043 " (cutoff:3.500A) Processing helix chain 'I' and resid 1078 through 1082 Processing helix chain 'I' and resid 1576 through 1581 removed outlier: 3.707A pdb=" N PHE I1580 " --> pdb=" O SER I1576 " (cutoff:3.500A) removed outlier: 4.208A 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: 3.600A pdb=" N ARG I1656 " --> pdb=" O GLU I1652 " (cutoff:3.500A) Processing helix chain 'I' and resid 1658 through 1674 removed outlier: 3.758A pdb=" N TYR I1670 " --> pdb=" O THR I1666 " (cutoff:3.500A) removed outlier: 4.634A pdb=" N ARG I1671 " --> pdb=" O LEU I1667 " (cutoff:3.500A) Processing helix chain 'I' and resid 1678 through 1686 removed outlier: 3.628A pdb=" N ALA I1684 " --> pdb=" O ARG I1680 " (cutoff:3.500A) removed outlier: 4.129A pdb=" N CYS I1686 " --> pdb=" O ALA I1682 " (cutoff:3.500A) Processing helix chain 'I' and resid 1691 through 1700 removed outlier: 4.188A pdb=" N LEU I1695 " --> pdb=" O GLN I1691 " (cutoff:3.500A) removed outlier: 3.936A pdb=" N LEU I1698 " --> pdb=" O LEU I1694 " (cutoff:3.500A) removed outlier: 3.814A pdb=" N GLU I1699 " --> pdb=" O LEU I1695 " (cutoff:3.500A) removed outlier: 3.752A 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: 4.202A pdb=" N LEU I1714 " --> pdb=" O GLY I1710 " (cutoff:3.500A) removed outlier: 4.649A pdb=" N ILE I1716 " --> pdb=" O TYR I1712 " (cutoff:3.500A) Processing helix chain 'I' and resid 1723 through 1732 removed outlier: 4.335A pdb=" N SER I1732 " --> pdb=" O ARG I1728 " (cutoff:3.500A) Processing helix chain 'I' and resid 1739 through 1744 Processing helix chain 'I' and resid 1804 through 1823 removed outlier: 3.564A 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: 3.780A pdb=" N GLN I1928 " --> pdb=" O GLY I1925 " (cutoff:3.500A) removed outlier: 3.738A 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: 3.919A pdb=" N TYR I1945 " --> pdb=" O ASN I1941 " (cutoff:3.500A) removed outlier: 3.999A 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: 3.777A pdb=" N GLU I1963 " --> pdb=" O ALA I1959 " (cutoff:3.500A) removed outlier: 3.809A pdb=" N ARG I1964 " --> pdb=" O ALA I1960 " (cutoff:3.500A) removed outlier: 3.529A pdb=" N TYR I1965 " --> pdb=" O PHE I1961 " (cutoff:3.500A) removed outlier: 3.868A pdb=" N VAL I1966 " --> pdb=" O ALA I1962 " (cutoff:3.500A) removed outlier: 3.582A pdb=" N ASP I1967 " --> pdb=" O GLU I1963 " (cutoff:3.500A) removed outlier: 3.874A pdb=" N LYS I1968 " --> pdb=" O ARG I1964 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N ALA I1978 " --> pdb=" O ARG I1974 " (cutoff:3.500A) Processing helix chain 'I' and resid 1989 through 1994 removed outlier: 3.820A pdb=" N ARG I1993 " --> pdb=" O ALA I1989 " (cutoff:3.500A) removed outlier: 3.870A 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: 3.733A pdb=" N ILE I2006 " --> pdb=" O PRO I2002 " (cutoff:3.500A) removed outlier: 4.121A pdb=" N ASN I2007 " --> pdb=" O GLN I2003 " (cutoff:3.500A) removed outlier: 4.332A pdb=" N HIS I2011 " --> pdb=" O ASN I2007 " (cutoff:3.500A) Processing helix chain 'I' and resid 2026 through 2042 removed outlier: 3.695A pdb=" N ASP I2030 " --> pdb=" O ASP I2026 " (cutoff:3.500A) removed outlier: 4.051A pdb=" N LEU I2031 " --> pdb=" O ILE I2027 " (cutoff:3.500A) removed outlier: 3.806A pdb=" N GLN I2032 " --> pdb=" O ARG I2028 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N LEU I2039 " --> pdb=" O HIS I2035 " (cutoff:3.500A) Processing helix chain 'I' and resid 2094 through 2108 removed outlier: 3.682A pdb=" N VAL I2103 " --> pdb=" O SER I2099 " (cutoff:3.500A) removed outlier: 3.676A pdb=" N TRP I2105 " --> pdb=" O MET I2101 " (cutoff:3.500A) Processing helix chain 'I' and resid 2113 through 2129 removed outlier: 3.679A pdb=" N VAL I2117 " --> pdb=" O SER I2113 " (cutoff:3.500A) removed outlier: 3.548A pdb=" N LEU I2123 " --> pdb=" O ALA I2119 " (cutoff:3.500A) Processing helix chain 'I' and resid 2129 through 2138 Processing helix chain 'I' and resid 2139 through 2141 No H-bonds generated for 'chain 'I' and resid 2139 through 2141' Processing helix chain 'I' and resid 2148 through 2165 removed outlier: 4.226A pdb=" N CYS I2158 " --> pdb=" O SER I2154 " (cutoff:3.500A) removed outlier: 3.592A pdb=" N GLN I2161 " --> pdb=" O GLU I2157 " (cutoff:3.500A) Processing helix chain 'I' and resid 2171 through 2187 removed outlier: 3.630A 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: 3.871A pdb=" N MET I2198 " --> pdb=" O HIS I2194 " (cutoff:3.500A) Processing helix chain 'I' and resid 2202 through 2216 removed outlier: 3.785A pdb=" N VAL I2210 " --> pdb=" O THR I2206 " (cutoff:3.500A) removed outlier: 3.653A pdb=" N ASN I2213 " --> pdb=" O GLU I2209 " (cutoff:3.500A) Processing helix chain 'I' and resid 2230 through 2242 removed outlier: 3.728A pdb=" N TYR I2238 " --> pdb=" O ARG I2234 " (cutoff:3.500A) Processing helix chain 'I' and resid 2245 through 2252 removed outlier: 3.708A pdb=" N ASP I2252 " --> pdb=" O ARG I2248 " (cutoff:3.500A) Processing helix chain 'I' and resid 2253 through 2262 removed outlier: 4.161A pdb=" N ASN I2260 " --> pdb=" O TYR I2256 " (cutoff:3.500A) removed outlier: 3.543A pdb=" N GLY I2262 " --> pdb=" O LEU I2258 " (cutoff:3.500A) Processing helix chain 'I' and resid 2271 through 2279 removed outlier: 3.635A pdb=" N ALA I2276 " --> pdb=" O PRO I2272 " (cutoff:3.500A) removed outlier: 3.620A pdb=" N SER I2279 " --> pdb=" O VAL I2275 " (cutoff:3.500A) Processing helix chain 'I' and resid 2294 through 2304 removed outlier: 3.581A pdb=" N VAL I2299 " --> pdb=" O LEU I2295 " (cutoff:3.500A) Processing helix chain 'I' and resid 2310 through 2315 removed outlier: 4.055A pdb=" N ALA I2315 " --> pdb=" O PRO I2311 " (cutoff:3.500A) Processing helix chain 'I' and resid 2326 through 2331 removed outlier: 3.663A pdb=" N TYR I2331 " --> pdb=" O GLY I2327 " (cutoff:3.500A) Processing helix chain 'I' and resid 2346 through 2356 removed outlier: 4.001A pdb=" N ALA I2350 " --> pdb=" O VAL I2346 " (cutoff:3.500A) removed outlier: 5.055A pdb=" N VAL I2352 " --> pdb=" O GLU I2348 " (cutoff:3.500A) removed outlier: 3.935A pdb=" N VAL I2353 " --> pdb=" O ASN I2349 " (cutoff:3.500A) removed outlier: 3.617A pdb=" N LEU I2356 " --> pdb=" O VAL I2352 " (cutoff:3.500A) Processing helix chain 'I' and resid 2360 through 2364 Processing helix chain 'I' and resid 2375 through 2388 removed outlier: 3.694A 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 2417 through 2435 removed outlier: 4.014A pdb=" N ALA I2421 " --> pdb=" O HIS I2417 " (cutoff:3.500A) removed outlier: 3.750A pdb=" N MET I2423 " --> pdb=" O GLY I2419 " (cutoff:3.500A) removed outlier: 3.738A pdb=" N ALA I2428 " --> pdb=" O SER I2424 " (cutoff:3.500A) Processing helix chain 'I' and resid 2440 through 2445 removed outlier: 3.600A pdb=" N ALA I2445 " --> pdb=" O HIS I2441 " (cutoff:3.500A) Processing helix chain 'I' and resid 2448 through 2461 removed outlier: 3.847A pdb=" N ILE I2453 " --> pdb=" O GLU I2449 " (cutoff:3.500A) Processing helix chain 'I' and resid 2466 through 2471 removed outlier: 3.860A pdb=" N ILE I2470 " --> pdb=" O LEU I2466 " (cutoff:3.500A) Processing helix chain 'I' and resid 2500 through 2507 removed outlier: 4.524A pdb=" N UNK I2505 " --> pdb=" O UNK I2501 " (cutoff:3.500A) removed outlier: 3.726A 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 2524 through 2530 removed outlier: 3.742A pdb=" N UNK I2528 " --> pdb=" O UNK I2524 " (cutoff:3.500A) Processing helix chain 'I' and resid 2542 through 2548 removed outlier: 3.646A pdb=" N UNK I2546 " --> pdb=" O UNK I2542 " (cutoff:3.500A) Processing helix chain 'I' and resid 2551 through 2557 removed outlier: 3.861A pdb=" N UNK I2555 " --> pdb=" O UNK I2551 " (cutoff:3.500A) Processing helix chain 'I' and resid 2567 through 2581 Processing helix chain 'I' and resid 2587 through 2602 removed outlier: 3.507A pdb=" N UNK I2597 " --> pdb=" O UNK I2593 " (cutoff:3.500A) removed outlier: 3.875A pdb=" N UNK I2602 " --> pdb=" O UNK I2598 " (cutoff:3.500A) Processing helix chain 'I' and resid 2610 through 2618 removed outlier: 3.552A pdb=" N UNK I2617 " --> pdb=" O UNK I2613 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N UNK I2618 " --> pdb=" O UNK I2614 " (cutoff:3.500A) Processing helix chain 'I' and resid 2626 through 2641 removed outlier: 3.914A pdb=" N UNK I2630 " --> pdb=" O UNK I2626 " (cutoff:3.500A) removed outlier: 3.985A pdb=" N UNK I2631 " --> pdb=" O UNK I2627 " (cutoff:3.500A) removed outlier: 3.530A pdb=" N UNK I2634 " --> pdb=" O UNK I2630 " (cutoff:3.500A) removed outlier: 3.562A pdb=" N UNK I2635 " --> pdb=" O UNK I2631 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N UNK I2639 " --> pdb=" O UNK I2635 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N UNK I2641 " --> pdb=" O UNK I2637 " (cutoff:3.500A) Processing helix chain 'I' and resid 2650 through 2665 Processing helix chain 'I' and resid 2751 through 2773 removed outlier: 3.575A pdb=" N HIS I2763 " --> pdb=" O ALA I2759 " (cutoff:3.500A) removed outlier: 3.671A pdb=" N PHE I2768 " --> pdb=" O GLU I2764 " (cutoff:3.500A) removed outlier: 3.673A pdb=" N ASP I2769 " --> pdb=" O LYS I2765 " (cutoff:3.500A) Processing helix chain 'I' and resid 2793 through 2797 removed outlier: 3.502A pdb=" N THR I2796 " --> pdb=" O PRO I2793 " (cutoff:3.500A) removed outlier: 3.595A 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: 3.763A pdb=" N ILE I2804 " --> pdb=" O ASP I2801 " (cutoff:3.500A) Processing helix chain 'I' and resid 2809 through 2820 removed outlier: 4.004A pdb=" N ALA I2815 " --> pdb=" O GLU I2811 " (cutoff:3.500A) removed outlier: 3.911A pdb=" N MET I2816 " --> pdb=" O SER I2812 " (cutoff:3.500A) removed outlier: 3.534A pdb=" N ALA I2818 " --> pdb=" O LYS I2814 " (cutoff:3.500A) Processing helix chain 'I' and resid 2868 through 2895 removed outlier: 4.090A pdb=" N MET I2874 " --> pdb=" O GLU I2870 " (cutoff:3.500A) removed outlier: 3.549A pdb=" N GLU I2876 " --> pdb=" O GLN I2872 " (cutoff:3.500A) removed outlier: 4.108A pdb=" N TRP I2886 " --> pdb=" O TYR I2882 " (cutoff:3.500A) Processing helix chain 'I' and resid 2912 through 2932 removed outlier: 3.737A pdb=" N LYS I2916 " --> pdb=" O THR I2912 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N ARG I2918 " --> pdb=" O LYS I2914 " (cutoff:3.500A) removed outlier: 3.648A pdb=" N ARG I2920 " --> pdb=" O LYS I2916 " (cutoff:3.500A) removed outlier: 3.591A pdb=" N GLU I2921 " --> pdb=" O ALA I2917 " (cutoff:3.500A) removed outlier: 3.524A 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: 4.143A pdb=" N UNK I2956 " --> pdb=" O UNK I2952 " (cutoff:3.500A) removed outlier: 3.536A pdb=" N UNK I2968 " --> pdb=" O UNK I2964 " (cutoff:3.500A) removed outlier: 3.815A pdb=" N UNK I2969 " --> pdb=" O UNK I2965 " (cutoff:3.500A) Processing helix chain 'I' and resid 2999 through 3015 removed outlier: 3.667A pdb=" N UNK I3004 " --> pdb=" O UNK I3000 " (cutoff:3.500A) removed outlier: 3.599A pdb=" N UNK I3006 " --> pdb=" O UNK I3002 " (cutoff:3.500A) removed outlier: 3.690A pdb=" N UNK I3009 " --> pdb=" O UNK I3005 " (cutoff:3.500A) removed outlier: 3.742A pdb=" N UNK I3010 " --> pdb=" O UNK I3006 " (cutoff:3.500A) removed outlier: 3.775A 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 3025 through 3040 removed outlier: 4.236A pdb=" N UNK I3032 " --> pdb=" O UNK I3028 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N UNK I3037 " --> pdb=" O UNK I3033 " (cutoff:3.500A) removed outlier: 3.555A pdb=" N UNK I3040 " --> pdb=" O UNK I3036 " (cutoff:3.500A) Processing helix chain 'I' and resid 3049 through 3051 No H-bonds generated for 'chain 'I' and resid 3049 through 3051' Processing helix chain 'I' and resid 3052 through 3063 removed outlier: 4.179A pdb=" N UNK I3056 " --> pdb=" O UNK I3052 " (cutoff:3.500A) removed outlier: 3.562A pdb=" N UNK I3057 " --> pdb=" O UNK I3053 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N UNK I3061 " --> pdb=" O UNK I3057 " (cutoff:3.500A) removed outlier: 4.171A 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 3151 Processing helix chain 'I' and resid 3151 through 3162 removed outlier: 3.523A pdb=" N UNK I3155 " --> pdb=" O UNK I3151 " (cutoff:3.500A) Processing helix chain 'I' and resid 3175 through 3186 removed outlier: 3.742A pdb=" N UNK I3182 " --> pdb=" O UNK I3178 " (cutoff:3.500A) Processing helix chain 'I' and resid 3198 through 3212 removed outlier: 3.566A pdb=" N UNK I3205 " --> pdb=" O UNK I3201 " (cutoff:3.500A) Processing helix chain 'I' and resid 3224 through 3230 removed outlier: 3.838A pdb=" N UNK I3228 " --> pdb=" O UNK I3224 " (cutoff:3.500A) Processing helix chain 'I' and resid 3248 through 3254 removed outlier: 3.562A 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: 3.878A pdb=" N UNK I3284 " --> pdb=" O UNK I3280 " (cutoff:3.500A) Processing helix chain 'I' and resid 3301 through 3304 Processing helix chain 'I' and resid 3305 through 3310 Processing helix chain 'I' and resid 3316 through 3331 removed outlier: 3.594A pdb=" N UNK I3321 " --> pdb=" O UNK I3317 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N UNK I3323 " --> pdb=" O UNK I3319 " (cutoff:3.500A) removed outlier: 4.634A pdb=" N UNK I3324 " --> pdb=" O UNK I3320 " (cutoff:3.500A) removed outlier: 3.597A pdb=" N UNK I3330 " --> pdb=" O UNK I3326 " (cutoff:3.500A) Processing helix chain 'I' and resid 3344 through 3349 Processing helix chain 'I' and resid 3361 through 3388 Processing helix chain 'I' and resid 3399 through 3409 removed outlier: 3.860A pdb=" N UNK I3405 " --> pdb=" O UNK I3401 " (cutoff:3.500A) removed outlier: 3.717A pdb=" N UNK I3407 " --> pdb=" O UNK I3403 " (cutoff:3.500A) removed outlier: 4.013A pdb=" N UNK I3409 " --> pdb=" O UNK I3405 " (cutoff:3.500A) Processing helix chain 'I' and resid 3410 through 3425 removed outlier: 3.808A pdb=" N UNK I3416 " --> pdb=" O UNK I3412 " (cutoff:3.500A) removed outlier: 3.542A pdb=" N UNK I3417 " --> pdb=" O UNK I3413 " (cutoff:3.500A) removed outlier: 4.304A pdb=" N UNK I3420 " --> pdb=" O UNK I3416 " (cutoff:3.500A) removed outlier: 3.533A 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: 3.504A pdb=" N UNK I3468 " --> pdb=" O UNK I3464 " (cutoff:3.500A) Processing helix chain 'I' and resid 3518 through 3521 removed outlier: 3.555A 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: 3.719A pdb=" N UNK I3529 " --> pdb=" O UNK I3525 " (cutoff:3.500A) Processing helix chain 'I' and resid 3551 through 3560 Processing helix chain 'I' and resid 3574 through 3583 removed outlier: 3.671A pdb=" N UNK I3579 " --> pdb=" O UNK I3575 " (cutoff:3.500A) removed outlier: 4.817A pdb=" N UNK I3580 " --> pdb=" O UNK I3576 " (cutoff:3.500A) removed outlier: 4.603A pdb=" N UNK I3583 " --> pdb=" O UNK I3579 " (cutoff:3.500A) Processing helix chain 'I' and resid 3588 through 3611 removed outlier: 4.094A pdb=" N UNK I3592 " --> pdb=" O UNK I3588 " (cutoff:3.500A) removed outlier: 3.537A pdb=" N UNK I3593 " --> pdb=" O UNK I3589 " (cutoff:3.500A) removed outlier: 3.928A pdb=" N UNK I3595 " --> pdb=" O UNK I3591 " (cutoff:3.500A) removed outlier: 3.718A pdb=" N UNK I3598 " --> pdb=" O UNK I3594 " (cutoff:3.500A) removed outlier: 3.937A pdb=" N UNK I3600 " --> pdb=" O UNK I3596 " (cutoff:3.500A) removed outlier: 3.885A pdb=" N UNK I3601 " --> pdb=" O UNK I3597 " (cutoff:3.500A) removed outlier: 3.706A pdb=" N UNK I3610 " --> pdb=" O UNK I3606 " (cutoff:3.500A) removed outlier: 3.904A pdb=" N UNK I3611 " --> pdb=" O UNK I3607 " (cutoff:3.500A) Processing helix chain 'I' and resid 3645 through 3656 removed outlier: 3.874A 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: 3.647A pdb=" N ASP I3676 " --> pdb=" O ARG I3672 " (cutoff:3.500A) removed outlier: 3.887A pdb=" N LEU I3677 " --> pdb=" O MET I3673 " (cutoff:3.500A) removed outlier: 3.862A 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: 3.647A pdb=" N ALA I3709 " --> pdb=" O PHE I3705 " (cutoff:3.500A) removed outlier: 3.916A pdb=" N THR I3711 " --> pdb=" O ARG I3707 " (cutoff:3.500A) Processing helix chain 'I' and resid 3719 through 3738 removed outlier: 3.907A pdb=" N GLU I3736 " --> pdb=" O SER I3732 " (cutoff:3.500A) Processing helix chain 'I' and resid 3755 through 3770 removed outlier: 4.049A pdb=" N GLU I3759 " --> pdb=" O GLU I3755 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N LYS I3760 " --> pdb=" O LYS I3756 " (cutoff:3.500A) removed outlier: 3.536A pdb=" N LEU I3764 " --> pdb=" O LYS I3760 " (cutoff:3.500A) removed outlier: 4.198A pdb=" N GLN I3767 " --> pdb=" O LEU I3763 " (cutoff:3.500A) removed outlier: 4.121A pdb=" N SER I3768 " --> pdb=" O LEU I3764 " (cutoff:3.500A) Processing helix chain 'I' and resid 3771 through 3784 removed outlier: 3.570A pdb=" N ALA I3775 " --> pdb=" O HIS I3771 " (cutoff:3.500A) removed outlier: 4.047A pdb=" N GLU I3777 " --> pdb=" O ARG I3773 " (cutoff:3.500A) removed outlier: 3.846A pdb=" N MET I3778 " --> pdb=" O GLY I3774 " (cutoff:3.500A) removed outlier: 3.718A pdb=" N VAL I3779 " --> pdb=" O ALA I3775 " (cutoff:3.500A) removed outlier: 5.464A pdb=" N LEU I3780 " --> pdb=" O ALA I3776 " (cutoff:3.500A) Processing helix chain 'I' and resid 3791 through 3805 removed outlier: 4.023A pdb=" N LYS I3799 " --> pdb=" O SER I3795 " (cutoff:3.500A) removed outlier: 3.618A pdb=" N LEU I3800 " --> pdb=" O SER I3796 " (cutoff:3.500A) removed outlier: 3.581A pdb=" N LEU I3805 " --> pdb=" O GLY I3801 " (cutoff:3.500A) Processing helix chain 'I' and resid 3809 through 3824 Processing helix chain 'I' and resid 3828 through 3838 removed outlier: 3.531A pdb=" N ILE I3832 " --> pdb=" O PHE I3828 " (cutoff:3.500A) Processing helix chain 'I' and resid 3843 through 3854 removed outlier: 3.609A pdb=" N LYS I3852 " --> pdb=" O GLU I3848 " (cutoff:3.500A) Processing helix chain 'I' and resid 3877 through 3890 removed outlier: 4.396A pdb=" N ASP I3883 " --> pdb=" O GLU I3879 " (cutoff:3.500A) removed outlier: 3.507A pdb=" N ARG I3886 " --> pdb=" O GLN I3882 " (cutoff:3.500A) removed outlier: 3.596A pdb=" N PHE I3887 " --> pdb=" O ASP I3883 " (cutoff:3.500A) removed outlier: 3.613A pdb=" N LEU I3888 " --> pdb=" O LEU I3884 " (cutoff:3.500A) removed outlier: 3.560A pdb=" N LEU I3890 " --> pdb=" O ARG I3886 " (cutoff:3.500A) Processing helix chain 'I' and resid 3898 through 3903 Processing helix chain 'I' and resid 3914 through 3932 removed outlier: 3.870A pdb=" N CYS I3918 " --> pdb=" O ASN I3914 " (cutoff:3.500A) removed outlier: 3.543A pdb=" N GLU I3928 " --> pdb=" O LEU I3924 " (cutoff:3.500A) Processing helix chain 'I' and resid 3932 through 3938 removed outlier: 4.016A pdb=" N TYR I3936 " --> pdb=" O ASP I3932 " (cutoff:3.500A) removed outlier: 3.889A pdb=" N TYR I3937 " --> pdb=" O PHE I3933 " (cutoff:3.500A) Processing helix chain 'I' and resid 3944 through 3970 removed outlier: 3.667A pdb=" N LYS I3953 " --> pdb=" O ARG I3949 " (cutoff:3.500A) removed outlier: 4.779A pdb=" N ALA I3954 " --> pdb=" O ASN I3950 " (cutoff:3.500A) removed outlier: 3.538A pdb=" N MET I3955 " --> pdb=" O PHE I3951 " (cutoff:3.500A) removed outlier: 3.526A pdb=" N LYS I3959 " --> pdb=" O MET I3955 " (cutoff:3.500A) removed outlier: 3.912A pdb=" N GLN I3960 " --> pdb=" O SER I3956 " (cutoff:3.500A) removed outlier: 3.551A pdb=" N GLU I3967 " --> pdb=" O ASN I3963 " (cutoff:3.500A) removed outlier: 3.656A pdb=" N TYR I3968 " --> pdb=" O SER I3964 " (cutoff:3.500A) removed outlier: 3.895A pdb=" N ILE I3969 " --> pdb=" O LEU I3965 " (cutoff:3.500A) Processing helix chain 'I' and resid 3973 through 3982 removed outlier: 3.582A pdb=" N HIS I3982 " --> pdb=" O GLN I3978 " (cutoff:3.500A) Processing helix chain 'I' and resid 3984 through 4005 removed outlier: 3.690A pdb=" N ALA I3988 " --> pdb=" O ARG I3984 " (cutoff:3.500A) removed outlier: 3.879A pdb=" N GLY I3991 " --> pdb=" O ASP I3987 " (cutoff:3.500A) removed outlier: 3.839A pdb=" N PHE I3992 " --> pdb=" O ALA I3988 " (cutoff:3.500A) removed outlier: 4.058A pdb=" N LEU I3993 " --> pdb=" O VAL I3989 " (cutoff:3.500A) removed outlier: 3.501A pdb=" N HIS I3994 " --> pdb=" O VAL I3990 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N HIS I3998 " --> pdb=" O HIS I3994 " (cutoff:3.500A) removed outlier: 4.171A pdb=" N MET I4000 " --> pdb=" O PHE I3996 " (cutoff:3.500A) removed outlier: 3.597A pdb=" N ALA I4004 " --> pdb=" O MET I4000 " (cutoff:3.500A) removed outlier: 3.958A pdb=" N GLN I4005 " --> pdb=" O MET I4001 " (cutoff:3.500A) Processing helix chain 'I' and resid 4006 through 4008 No H-bonds generated for 'chain 'I' and resid 4006 through 4008' Processing helix chain 'I' and resid 4009 through 4032 removed outlier: 4.246A pdb=" N MET I4026 " --> pdb=" O ASP I4022 " (cutoff:3.500A) removed outlier: 3.638A pdb=" N LEU I4027 " --> pdb=" O MET I4023 " (cutoff:3.500A) removed outlier: 4.004A pdb=" N LEU I4031 " --> pdb=" O LEU I4027 " (cutoff:3.500A) removed outlier: 3.567A pdb=" N GLU I4032 " --> pdb=" O LEU I4028 " (cutoff:3.500A) Processing helix chain 'I' and resid 4039 through 4051 removed outlier: 3.798A pdb=" N ASP I4046 " --> pdb=" O ARG I4042 " (cutoff:3.500A) removed outlier: 3.652A pdb=" N SER I4051 " --> pdb=" O MET I4047 " (cutoff:3.500A) Processing helix chain 'I' and resid 4051 through 4063 removed outlier: 3.617A pdb=" N LYS I4060 " --> pdb=" O GLU I4056 " (cutoff:3.500A) removed outlier: 4.089A pdb=" N PHE I4061 " --> pdb=" O MET I4057 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N PHE I4062 " --> pdb=" O ILE I4058 " (cutoff:3.500A) Processing helix chain 'I' and resid 4067 through 4072 Processing helix chain 'I' and resid 4074 through 4081 removed outlier: 4.221A pdb=" N TYR I4080 " --> pdb=" O ALA I4076 " (cutoff:3.500A) removed outlier: 3.997A pdb=" N VAL I4081 " --> pdb=" O PHE I4077 " (cutoff:3.500A) Processing helix chain 'I' and resid 4090 through 4100 removed outlier: 3.598A 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: 3.722A pdb=" N MET I4122 " --> pdb=" O ASP I4118 " (cutoff:3.500A) Processing helix chain 'I' and resid 4124 through 4132 removed outlier: 3.931A pdb=" N ARG I4131 " --> pdb=" O GLU I4127 " (cutoff:3.500A) removed outlier: 3.842A pdb=" N PHE I4132 " --> pdb=" O PHE I4128 " (cutoff:3.500A) Processing helix chain 'I' and resid 4136 through 4154 removed outlier: 3.589A pdb=" N PHE I4141 " --> pdb=" O ARG I4137 " (cutoff:3.500A) removed outlier: 3.611A pdb=" N LEU I4146 " --> pdb=" O ASN I4142 " (cutoff:3.500A) removed outlier: 3.585A pdb=" N GLU I4152 " --> pdb=" O THR I4148 " (cutoff:3.500A) removed outlier: 3.748A 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: 3.910A pdb=" N ARG I4202 " --> pdb=" O SER I4198 " (cutoff:3.500A) Processing helix chain 'I' and resid 4207 through 4224 removed outlier: 4.031A pdb=" N VAL I4222 " --> pdb=" O ILE I4218 " (cutoff:3.500A) Processing helix chain 'I' and resid 4228 through 4252 removed outlier: 4.143A pdb=" N PHE I4234 " --> pdb=" O LYS I4230 " (cutoff:3.500A) removed outlier: 3.694A pdb=" N PHE I4243 " --> pdb=" O GLU I4239 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N GLN I4250 " --> pdb=" O GLN I4246 " (cutoff:3.500A) removed outlier: 3.990A pdb=" N ILE I4251 " --> pdb=" O ILE I4247 " (cutoff:3.500A) removed outlier: 3.645A pdb=" N SER I4252 " --> pdb=" O ALA I4248 " (cutoff:3.500A) Processing helix chain 'I' and resid 4543 through 4556 removed outlier: 4.014A pdb=" N TYR I4554 " --> pdb=" O LYS I4550 " (cutoff:3.500A) Processing helix chain 'I' and resid 4558 through 4576 removed outlier: 3.570A pdb=" N LEU I4562 " --> pdb=" O ASN I4558 " (cutoff:3.500A) removed outlier: 3.507A pdb=" N ALA I4570 " --> pdb=" O ALA I4566 " (cutoff:3.500A) removed outlier: 3.945A pdb=" N PHE I4571 " --> pdb=" O LEU I4567 " (cutoff:3.500A) removed outlier: 3.739A pdb=" N ALA I4572 " --> pdb=" O PHE I4568 " (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: 3.764A pdb=" N THR I4651 " --> pdb=" O SER I4647 " (cutoff:3.500A) removed outlier: 3.649A 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: 3.784A pdb=" N ILE I4659 " --> pdb=" O PHE I4655 " (cutoff:3.500A) Processing helix chain 'I' and resid 4667 through 4683 removed outlier: 3.655A 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 4706 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: 3.591A pdb=" N ALA I4752 " --> pdb=" O LEU I4748 " (cutoff:3.500A) Processing helix chain 'I' and resid 4772 through 4786 removed outlier: 3.557A pdb=" N ASP I4786 " --> pdb=" O VAL I4782 " (cutoff:3.500A) Processing helix chain 'I' and resid 4786 through 4803 removed outlier: 4.013A pdb=" N MET I4798 " --> pdb=" O TRP I4794 " (cutoff:3.500A) removed outlier: 4.020A pdb=" N SER I4799 " --> pdb=" O TYR I4795 " (cutoff:3.500A) removed outlier: 3.518A pdb=" N HIS I4803 " --> pdb=" O SER I4799 " (cutoff:3.500A) Processing helix chain 'I' and resid 4811 through 4819 removed outlier: 4.192A pdb=" N ASP I4815 " --> pdb=" O ALA I4811 " (cutoff:3.500A) removed outlier: 3.957A pdb=" N ILE I4816 " --> pdb=" O HIS I4812 " (cutoff:3.500A) removed outlier: 3.982A pdb=" N ALA I4817 " --> pdb=" O LEU I4813 " (cutoff:3.500A) removed outlier: 3.795A pdb=" N MET I4818 " --> pdb=" O LEU I4814 " (cutoff:3.500A) Processing helix chain 'I' and resid 4820 through 4833 removed outlier: 3.987A pdb=" N ILE I4826 " --> pdb=" O THR I4822 " (cutoff:3.500A) removed outlier: 3.576A pdb=" N SER I4829 " --> pdb=" O THR I4825 " (cutoff:3.500A) removed outlier: 3.604A pdb=" N VAL I4830 " --> pdb=" O ILE I4826 " (cutoff:3.500A) Processing helix chain 'I' and resid 4833 through 4858 removed outlier: 4.048A pdb=" N VAL I4838 " --> pdb=" O GLY I4834 " (cutoff:3.500A) removed outlier: 4.417A pdb=" N MET I4839 " --> pdb=" O LYS I4835 " (cutoff:3.500A) removed outlier: 3.517A pdb=" N THR I4840 " --> pdb=" O GLN I4836 " (cutoff:3.500A) removed outlier: 3.518A pdb=" N GLY I4842 " --> pdb=" O VAL I4838 " (cutoff:3.500A) removed outlier: 3.543A pdb=" N ALA I4845 " --> pdb=" O VAL I4841 " (cutoff:3.500A) removed outlier: 3.773A pdb=" N VAL I4848 " --> pdb=" O LEU I4844 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N VAL I4853 " --> pdb=" O TYR I4849 " (cutoff:3.500A) removed outlier: 3.636A pdb=" N VAL I4854 " --> pdb=" O LEU I4850 " (cutoff:3.500A) removed outlier: 4.013A pdb=" N ALA I4855 " --> pdb=" O TYR I4851 " (cutoff:3.500A) Processing helix chain 'I' and resid 4859 through 4863 removed outlier: 4.200A pdb=" N PHE I4862 " --> pdb=" O PHE I4859 " (cutoff:3.500A) removed outlier: 3.892A 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 4887 removed outlier: 3.781A pdb=" N PHE I4885 " --> pdb=" O THR I4881 " (cutoff:3.500A) removed outlier: 3.624A pdb=" N HIS I4886 " --> pdb=" O CYS I4882 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N MET I4887 " --> pdb=" O TYR I4883 " (cutoff:3.500A) Processing helix chain 'I' and resid 4896 through 4900 removed outlier: 3.845A pdb=" N ASP I4899 " --> pdb=" O GLY I4896 " (cutoff:3.500A) removed outlier: 3.526A 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 4909 through 4923 removed outlier: 3.802A pdb=" N VAL I4914 " --> pdb=" O GLU I4910 " (cutoff:3.500A) removed outlier: 4.381A pdb=" N VAL I4915 " --> pdb=" O LEU I4911 " (cutoff:3.500A) removed outlier: 3.823A pdb=" N ILE I4918 " --> pdb=" O VAL I4914 " (cutoff:3.500A) removed outlier: 3.649A pdb=" N PHE I4921 " --> pdb=" O ASP I4917 " (cutoff:3.500A) removed outlier: 3.550A pdb=" N PHE I4922 " --> pdb=" O ILE I4918 " (cutoff:3.500A) removed outlier: 3.715A pdb=" N PHE I4923 " --> pdb=" O THR I4919 " (cutoff:3.500A) Processing helix chain 'I' and resid 4924 through 4957 removed outlier: 3.746A pdb=" N LEU I4929 " --> pdb=" O ILE I4925 " (cutoff:3.500A) removed outlier: 4.135A pdb=" N ALA I4930 " --> pdb=" O VAL I4926 " (cutoff:3.500A) removed outlier: 3.722A pdb=" N ILE I4936 " --> pdb=" O ILE I4932 " (cutoff:3.500A) removed outlier: 3.681A pdb=" N ALA I4939 " --> pdb=" O LEU I4935 " (cutoff:3.500A) removed outlier: 3.561A pdb=" N VAL I4950 " --> pdb=" O GLN I4946 " (cutoff:3.500A) removed outlier: 3.551A pdb=" N LYS I4951 " --> pdb=" O GLN I4947 " (cutoff:3.500A) removed outlier: 3.623A pdb=" N GLU I4952 " --> pdb=" O GLU I4948 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N MET I4954 " --> pdb=" O VAL I4950 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N GLU I4955 " --> pdb=" O LYS I4951 " (cutoff:3.500A) removed outlier: 3.538A pdb=" N LYS I4957 " --> pdb=" O ASP I4953 " (cutoff:3.500A) Processing helix chain 'I' and resid 4964 through 4970 removed outlier: 4.395A pdb=" N PHE I4968 " --> 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: 3.650A pdb=" N PHE I4990 " --> pdb=" O ALA I4986 " (cutoff:3.500A) Processing helix chain 'I' and resid 5004 through 5017 removed outlier: 3.795A 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: 4.027A pdb=" N GLY J 62 " --> pdb=" O GLY J 58 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N ALA J 63 " --> pdb=" O PHE J 59 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N ALA J 64 " --> pdb=" O GLU J 60 " (cutoff:3.500A) removed outlier: 3.560A pdb=" N GLN J 65 " --> pdb=" O GLU J 61 " (cutoff:3.500A) Processing helix chain 'J' and resid 77 through 81 removed outlier: 3.802A 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 19 through 21 removed outlier: 6.893A pdb=" N VAL B 21 " --> pdb=" O PRO B 204 " (cutoff:3.500A) Processing sheet with id=AA4, first strand: chain 'B' and resid 24 through 27 Processing sheet with id=AA5, first strand: chain 'B' and resid 71 through 73 removed outlier: 3.991A pdb=" N GLN B 71 " --> pdb=" O LEU B 108 " (cutoff:3.500A) Processing sheet with id=AA6, first strand: chain 'B' and resid 148 through 152 Processing sheet with id=AA7, first strand: chain 'B' and resid 181 through 184 Processing sheet with id=AA8, first strand: chain 'B' and resid 280 through 284 Processing sheet with id=AA9, first strand: chain 'B' and resid 230 through 233 removed outlier: 3.763A pdb=" N THR B 232 " --> pdb=" O TYR B 246 " (cutoff:3.500A) Processing sheet with id=AB1, first strand: chain 'B' and resid 290 through 292 removed outlier: 4.007A pdb=" N VAL B 300 " --> pdb=" O ALA B 292 " (cutoff:3.500A) Processing sheet with id=AB2, first strand: chain 'B' and resid 314 through 317 Processing sheet with id=AB3, first strand: chain 'B' and resid 356 through 359 Processing sheet with id=AB4, first strand: chain 'B' and resid 634 through 636 removed outlier: 3.922A pdb=" N GLN B 634 " --> pdb=" O HIS B1640 " (cutoff:3.500A) removed outlier: 3.523A pdb=" N ARG B1646 " --> pdb=" O ILE B1641 " (cutoff:3.500A) Processing sheet with id=AB5, first strand: chain 'B' and resid 782 through 783 removed outlier: 3.647A pdb=" N THR B 642 " --> pdb=" O PHE B 783 " (cutoff:3.500A) Processing sheet with id=AB6, first strand: chain 'B' and resid 767 through 768 removed outlier: 3.581A pdb=" N ASP B 742 " --> pdb=" O VAL B 668 " (cutoff:3.500A) removed outlier: 3.683A pdb=" N VAL B 744 " --> pdb=" O VAL B 666 " (cutoff:3.500A) removed outlier: 3.737A pdb=" N VAL B 666 " --> pdb=" O VAL B 744 " (cutoff:3.500A) Processing sheet with id=AB7, first strand: chain 'B' and resid 684 through 687 Processing sheet with id=AB8, first strand: chain 'B' and resid 892 through 893 removed outlier: 6.409A pdb=" N THR B 892 " --> pdb=" O HIS B 904 " (cutoff:3.500A) No H-bonds generated for sheet with id=AB8 Processing sheet with id=AB9, first strand: chain 'B' and resid 940 through 941 Processing sheet with id=AC1, first strand: chain 'B' and resid 1136 through 1138 removed outlier: 3.599A pdb=" N GLY B1103 " --> pdb=" O VAL B1191 " (cutoff:3.500A) removed outlier: 3.964A pdb=" N ARG B1073 " --> pdb=" O LEU B1194 " (cutoff:3.500A) Processing sheet with id=AC2, first strand: chain 'B' and resid 1167 through 1168 Processing sheet with id=AC3, first strand: chain 'B' and resid 1167 through 1168 removed outlier: 6.831A pdb=" N ARG B1087 " --> pdb=" O GLU B1224 " (cutoff:3.500A) Processing sheet with id=AC4, first strand: chain 'B' and resid 1255 through 1259 removed outlier: 3.760A pdb=" N GLU B1256 " --> pdb=" O ALA B1273 " (cutoff:3.500A) Processing sheet with id=AC5, first strand: chain 'B' and resid 1459 through 1462 removed outlier: 3.691A pdb=" N UNK B1287 " --> pdb=" O UNK B1460 " (cutoff:3.500A) Processing sheet with id=AC6, first strand: chain 'B' and resid 1293 through 1294 Processing sheet with id=AC7, first strand: chain 'B' and resid 1515 through 1516 Processing sheet with id=AC8, first strand: chain 'B' and resid 4178 through 4184 Processing sheet with id=AC9, first strand: chain 'E' and resid 19 through 21 removed outlier: 6.893A pdb=" N VAL E 21 " --> pdb=" O PRO E 204 " (cutoff:3.500A) Processing sheet with id=AD1, first strand: chain 'E' and resid 24 through 27 Processing sheet with id=AD2, first strand: chain 'E' and resid 71 through 73 removed outlier: 3.991A pdb=" N GLN E 71 " --> pdb=" O LEU E 108 " (cutoff:3.500A) Processing sheet with id=AD3, first strand: chain 'E' and resid 148 through 152 Processing sheet with id=AD4, first strand: chain 'E' and resid 181 through 184 Processing sheet with id=AD5, first strand: chain 'E' and resid 280 through 284 Processing sheet with id=AD6, first strand: chain 'E' and resid 230 through 233 removed outlier: 3.762A pdb=" N THR E 232 " --> pdb=" O TYR E 246 " (cutoff:3.500A) Processing sheet with id=AD7, first strand: chain 'E' and resid 290 through 292 removed outlier: 4.008A pdb=" N VAL E 300 " --> pdb=" O ALA E 292 " (cutoff:3.500A) Processing sheet with id=AD8, first strand: chain 'E' and resid 314 through 317 Processing sheet with id=AD9, first strand: chain 'E' and resid 356 through 359 Processing sheet with id=AE1, first strand: chain 'E' and resid 634 through 636 removed outlier: 3.921A pdb=" N GLN E 634 " --> pdb=" O HIS E1640 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N ARG E1646 " --> pdb=" O ILE E1641 " (cutoff:3.500A) Processing sheet with id=AE2, first strand: chain 'E' and resid 782 through 783 removed outlier: 3.647A pdb=" N THR E 642 " --> pdb=" O PHE E 783 " (cutoff:3.500A) Processing sheet with id=AE3, first strand: chain 'E' and resid 767 through 768 removed outlier: 3.581A pdb=" N ASP E 742 " --> pdb=" O VAL E 668 " (cutoff:3.500A) removed outlier: 3.683A pdb=" N VAL E 744 " --> pdb=" O VAL E 666 " (cutoff:3.500A) removed outlier: 3.737A pdb=" N VAL E 666 " --> pdb=" O VAL E 744 " (cutoff:3.500A) Processing sheet with id=AE4, first strand: chain 'E' and resid 684 through 687 Processing sheet with id=AE5, first strand: chain 'E' and resid 892 through 893 removed outlier: 6.408A pdb=" N THR E 892 " --> pdb=" O HIS E 904 " (cutoff:3.500A) No H-bonds generated for sheet with id=AE5 Processing sheet with id=AE6, first strand: chain 'E' and resid 940 through 941 Processing sheet with id=AE7, first strand: chain 'E' and resid 1136 through 1138 removed outlier: 3.599A pdb=" N GLY E1103 " --> pdb=" O VAL E1191 " (cutoff:3.500A) removed outlier: 3.964A pdb=" N ARG E1073 " --> pdb=" O LEU E1194 " (cutoff:3.500A) Processing sheet with id=AE8, first strand: chain 'E' and resid 1167 through 1168 Processing sheet with id=AE9, first strand: chain 'E' and resid 1167 through 1168 removed outlier: 6.830A pdb=" N ARG E1087 " --> pdb=" O GLU E1224 " (cutoff:3.500A) Processing sheet with id=AF1, first strand: chain 'E' and resid 1255 through 1259 removed outlier: 3.759A pdb=" N GLU E1256 " --> pdb=" O ALA E1273 " (cutoff:3.500A) Processing sheet with id=AF2, first strand: chain 'E' and resid 1459 through 1462 removed outlier: 3.696A pdb=" N UNK E1287 " --> pdb=" O UNK E1460 " (cutoff:3.500A) Processing sheet with id=AF3, first strand: chain 'E' and resid 1293 through 1294 Processing sheet with id=AF4, first strand: chain 'E' and resid 1515 through 1516 Processing sheet with id=AF5, first strand: chain 'E' and resid 4178 through 4184 Processing sheet with id=AF6, first strand: chain 'F' and resid 21 through 23 Processing sheet with id=AF7, first strand: chain 'F' and resid 27 through 30 Processing sheet with id=AF8, first strand: chain 'G' and resid 19 through 21 removed outlier: 6.892A pdb=" N VAL G 21 " --> pdb=" O PRO G 204 " (cutoff:3.500A) Processing sheet with id=AF9, first strand: chain 'G' and resid 24 through 27 Processing sheet with id=AG1, first strand: chain 'G' and resid 71 through 73 removed outlier: 3.991A pdb=" N GLN G 71 " --> pdb=" O LEU G 108 " (cutoff:3.500A) Processing sheet with id=AG2, first strand: chain 'G' and resid 148 through 152 Processing sheet with id=AG3, first strand: chain 'G' and resid 181 through 184 Processing sheet with id=AG4, first strand: chain 'G' and resid 280 through 284 Processing sheet with id=AG5, first strand: chain 'G' and resid 230 through 233 removed outlier: 3.762A pdb=" N THR G 232 " --> pdb=" O TYR G 246 " (cutoff:3.500A) Processing sheet with id=AG6, first strand: chain 'G' and resid 290 through 292 removed outlier: 4.008A pdb=" N VAL G 300 " --> pdb=" O ALA G 292 " (cutoff:3.500A) Processing sheet with id=AG7, first strand: chain 'G' and resid 314 through 317 Processing sheet with id=AG8, first strand: chain 'G' and resid 356 through 359 Processing sheet with id=AG9, first strand: chain 'G' and resid 634 through 636 removed outlier: 3.920A pdb=" N GLN G 634 " --> pdb=" O HIS G1640 " (cutoff:3.500A) removed outlier: 3.523A pdb=" N ARG G1646 " --> pdb=" O ILE G1641 " (cutoff:3.500A) Processing sheet with id=AH1, first strand: chain 'G' and resid 782 through 783 removed outlier: 3.647A pdb=" N THR G 642 " --> pdb=" O PHE G 783 " (cutoff:3.500A) Processing sheet with id=AH2, first strand: chain 'G' and resid 767 through 768 removed outlier: 3.581A pdb=" N ASP G 742 " --> pdb=" O VAL G 668 " (cutoff:3.500A) removed outlier: 3.683A pdb=" N VAL G 744 " --> pdb=" O VAL G 666 " (cutoff:3.500A) removed outlier: 3.737A pdb=" N VAL G 666 " --> pdb=" O VAL G 744 " (cutoff:3.500A) Processing sheet with id=AH3, first strand: chain 'G' and resid 684 through 687 Processing sheet with id=AH4, first strand: chain 'G' and resid 892 through 893 removed outlier: 6.409A pdb=" N THR G 892 " --> pdb=" O HIS G 904 " (cutoff:3.500A) No H-bonds generated for sheet with id=AH4 Processing sheet with id=AH5, first strand: chain 'G' and resid 940 through 941 Processing sheet with id=AH6, first strand: chain 'G' and resid 1136 through 1138 removed outlier: 3.601A pdb=" N GLY G1103 " --> pdb=" O VAL G1191 " (cutoff:3.500A) removed outlier: 3.963A pdb=" N ARG G1073 " --> pdb=" O LEU G1194 " (cutoff:3.500A) Processing sheet with id=AH7, first strand: chain 'G' and resid 1167 through 1168 Processing sheet with id=AH8, first strand: chain 'G' and resid 1167 through 1168 removed outlier: 6.830A pdb=" N ARG G1087 " --> pdb=" O GLU G1224 " (cutoff:3.500A) Processing sheet with id=AH9, first strand: chain 'G' and resid 1255 through 1259 removed outlier: 3.760A pdb=" N GLU G1256 " --> pdb=" O ALA G1273 " (cutoff:3.500A) Processing sheet with id=AI1, first strand: chain 'G' and resid 1459 through 1462 removed outlier: 3.597A pdb=" N UNK G1287 " --> pdb=" O UNK G1460 " (cutoff:3.500A) Processing sheet with id=AI2, first strand: chain 'G' and resid 1293 through 1294 Processing sheet with id=AI3, first strand: chain 'G' and resid 1515 through 1516 Processing sheet with id=AI4, first strand: chain 'G' and resid 4178 through 4184 Processing sheet with id=AI5, first strand: chain 'H' and resid 21 through 23 Processing sheet with id=AI6, first strand: chain 'H' and resid 27 through 30 Processing sheet with id=AI7, first strand: chain 'I' and resid 19 through 21 removed outlier: 6.892A pdb=" N VAL I 21 " --> pdb=" O PRO I 204 " (cutoff:3.500A) Processing sheet with id=AI8, first strand: chain 'I' and resid 24 through 27 Processing sheet with id=AI9, first strand: chain 'I' and resid 71 through 73 removed outlier: 3.991A pdb=" N GLN I 71 " --> pdb=" O LEU I 108 " (cutoff:3.500A) Processing sheet with id=AJ1, first strand: chain 'I' and resid 148 through 152 Processing sheet with id=AJ2, first strand: chain 'I' and resid 181 through 184 Processing sheet with id=AJ3, first strand: chain 'I' and resid 280 through 284 Processing sheet with id=AJ4, first strand: chain 'I' and resid 230 through 233 removed outlier: 3.763A pdb=" N THR I 232 " --> pdb=" O TYR I 246 " (cutoff:3.500A) Processing sheet with id=AJ5, first strand: chain 'I' and resid 290 through 292 removed outlier: 4.008A pdb=" N VAL I 300 " --> pdb=" O ALA I 292 " (cutoff:3.500A) Processing sheet with id=AJ6, first strand: chain 'I' and resid 314 through 317 Processing sheet with id=AJ7, first strand: chain 'I' and resid 356 through 359 Processing sheet with id=AJ8, first strand: chain 'I' and resid 634 through 636 removed outlier: 3.920A pdb=" N GLN I 634 " --> pdb=" O HIS I1640 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N ARG I1646 " --> pdb=" O ILE I1641 " (cutoff:3.500A) Processing sheet with id=AJ9, first strand: chain 'I' and resid 782 through 783 removed outlier: 3.646A pdb=" N THR I 642 " --> pdb=" O PHE I 783 " (cutoff:3.500A) Processing sheet with id=AK1, first strand: chain 'I' and resid 767 through 768 removed outlier: 3.581A pdb=" N ASP I 742 " --> pdb=" O VAL I 668 " (cutoff:3.500A) removed outlier: 3.682A pdb=" N VAL I 744 " --> pdb=" O VAL I 666 " (cutoff:3.500A) removed outlier: 3.737A pdb=" N VAL I 666 " --> pdb=" O VAL I 744 " (cutoff:3.500A) Processing sheet with id=AK2, first strand: chain 'I' and resid 684 through 687 Processing sheet with id=AK3, first strand: chain 'I' and resid 892 through 893 removed outlier: 6.410A pdb=" N THR I 892 " --> pdb=" O HIS I 904 " (cutoff:3.500A) No H-bonds generated for sheet with id=AK3 Processing sheet with id=AK4, first strand: chain 'I' and resid 940 through 941 Processing sheet with id=AK5, first strand: chain 'I' and resid 1136 through 1138 removed outlier: 3.600A pdb=" N GLY I1103 " --> pdb=" O VAL I1191 " (cutoff:3.500A) removed outlier: 3.962A pdb=" N ARG I1073 " --> pdb=" O LEU I1194 " (cutoff:3.500A) Processing sheet with id=AK6, first strand: chain 'I' and resid 1167 through 1168 Processing sheet with id=AK7, first strand: chain 'I' and resid 1167 through 1168 removed outlier: 6.829A pdb=" N ARG I1087 " --> pdb=" O GLU I1224 " (cutoff:3.500A) Processing sheet with id=AK8, first strand: chain 'I' and resid 1255 through 1259 removed outlier: 3.759A pdb=" N GLU I1256 " --> pdb=" O ALA I1273 " (cutoff:3.500A) Processing sheet with id=AK9, first strand: chain 'I' and resid 1459 through 1461 Processing sheet with id=AL1, first strand: chain 'I' and resid 1293 through 1294 Processing sheet with id=AL2, first strand: chain 'I' and resid 4178 through 4184 Processing sheet with id=AL3, first strand: chain 'J' and resid 21 through 23 Processing sheet with id=AL4, first strand: chain 'J' and resid 27 through 30 4831 hydrogen bonds defined for protein. 13986 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: 86.96 Time building geometry restraints manager: 38.39 seconds NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Histogram of bond lengths: 1.21 - 1.34: 38156 1.34 - 1.46: 20892 1.46 - 1.58: 62944 1.58 - 1.70: 0 1.70 - 1.82: 1020 Bond restraints: 123012 Sorted by residual: bond pdb=" C GLU B4134 " pdb=" N PRO B4135 " ideal model delta sigma weight residual 1.332 1.361 -0.028 8.20e-03 1.49e+04 1.21e+01 bond pdb=" C GLU E4134 " pdb=" N PRO E4135 " ideal model delta sigma weight residual 1.332 1.360 -0.028 8.20e-03 1.49e+04 1.16e+01 bond pdb=" C GLU I4134 " pdb=" N PRO I4135 " ideal model delta sigma weight residual 1.332 1.360 -0.028 8.20e-03 1.49e+04 1.14e+01 bond pdb=" C GLU G4134 " pdb=" N PRO G4135 " ideal model delta sigma weight residual 1.332 1.359 -0.027 8.20e-03 1.49e+04 1.10e+01 bond pdb=" N ASP B4063 " pdb=" CA ASP B4063 " ideal model delta sigma weight residual 1.457 1.495 -0.037 1.29e-02 6.01e+03 8.38e+00 ... (remaining 123007 not shown) Histogram of bond angle deviations from ideal: 97.25 - 105.44: 2585 105.44 - 113.62: 69181 113.62 - 121.81: 66736 121.81 - 130.00: 28457 130.00 - 138.18: 761 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 113.65 105.22 8.43 1.35e+00 5.49e-01 3.90e+01 angle pdb=" N PRO I4872 " pdb=" CA PRO I4872 " pdb=" C PRO I4872 " ideal model delta sigma weight residual 113.65 105.30 8.35 1.35e+00 5.49e-01 3.83e+01 angle pdb=" N PRO B4872 " pdb=" CA PRO B4872 " pdb=" C PRO B4872 " ideal model delta sigma weight residual 113.65 105.32 8.33 1.35e+00 5.49e-01 3.81e+01 angle pdb=" N PRO G4872 " pdb=" CA PRO G4872 " pdb=" C PRO G4872 " ideal model delta sigma weight residual 113.53 105.27 8.26 1.39e+00 5.18e-01 3.53e+01 angle pdb=" CA ASP B4063 " pdb=" CB ASP B4063 " pdb=" CG ASP B4063 " ideal model delta sigma weight residual 112.60 118.37 -5.77 1.00e+00 1.00e+00 3.33e+01 ... (remaining 167715 not shown) Histogram of dihedral angle deviations from ideal: 0.00 - 16.00: 70173 16.00 - 32.00: 2443 32.00 - 48.00: 672 48.00 - 64.01: 40 64.01 - 80.01: 96 Dihedral angle restraints: 73424 sinusoidal: 23656 harmonic: 49768 Sorted by residual: dihedral pdb=" CA LEU I2472 " pdb=" C LEU I2472 " pdb=" N PRO I2473 " pdb=" CA PRO I2473 " ideal model delta harmonic sigma weight residual -180.00 -122.14 -57.86 0 5.00e+00 4.00e-02 1.34e+02 dihedral pdb=" CA LEU B2472 " pdb=" C LEU B2472 " pdb=" N PRO B2473 " pdb=" CA PRO B2473 " ideal model delta harmonic sigma weight residual -180.00 -122.18 -57.82 0 5.00e+00 4.00e-02 1.34e+02 dihedral pdb=" CA LEU E2472 " pdb=" C LEU E2472 " pdb=" N PRO E2473 " pdb=" CA PRO E2473 " ideal model delta harmonic sigma weight residual -180.00 -122.24 -57.76 0 5.00e+00 4.00e-02 1.33e+02 ... (remaining 73421 not shown) Histogram of chiral volume deviations from ideal: 0.000 - 0.079: 17614 0.079 - 0.157: 1778 0.157 - 0.236: 165 0.236 - 0.314: 35 0.314 - 0.393: 8 Chirality restraints: 19600 Sorted by residual: chirality pdb=" CB ILE G 826 " pdb=" CA ILE G 826 " pdb=" CG1 ILE G 826 " pdb=" CG2 ILE G 826 " both_signs ideal model delta sigma weight residual False 2.64 2.25 0.39 2.00e-01 2.50e+01 3.85e+00 chirality pdb=" CB ILE I 826 " pdb=" CA ILE I 826 " pdb=" CG1 ILE I 826 " pdb=" CG2 ILE I 826 " both_signs ideal model delta sigma weight residual False 2.64 2.25 0.39 2.00e-01 2.50e+01 3.85e+00 chirality pdb=" CB ILE E 826 " pdb=" CA ILE E 826 " pdb=" CG1 ILE E 826 " pdb=" CG2 ILE E 826 " both_signs ideal model delta sigma weight residual False 2.64 2.25 0.39 2.00e-01 2.50e+01 3.82e+00 ... (remaining 19597 not shown) Planarity restraints: 22092 Sorted by residual: delta sigma weight rms_deltas residual plane pdb=" CA PHE E4061 " -0.022 2.00e-02 2.50e+03 4.55e-02 2.07e+01 pdb=" C PHE E4061 " 0.079 2.00e-02 2.50e+03 pdb=" O PHE E4061 " -0.030 2.00e-02 2.50e+03 pdb=" N PHE E4062 " -0.026 2.00e-02 2.50e+03 delta sigma weight rms_deltas residual plane pdb=" C VAL B4666 " 0.070 5.00e-02 4.00e+02 1.06e-01 1.79e+01 pdb=" N PRO B4667 " -0.183 5.00e-02 4.00e+02 pdb=" CA PRO B4667 " 0.055 5.00e-02 4.00e+02 pdb=" CD PRO B4667 " 0.059 5.00e-02 4.00e+02 delta sigma weight rms_deltas residual plane pdb=" C VAL I4666 " -0.070 5.00e-02 4.00e+02 1.06e-01 1.79e+01 pdb=" N PRO I4667 " 0.183 5.00e-02 4.00e+02 pdb=" CA PRO I4667 " -0.055 5.00e-02 4.00e+02 pdb=" CD PRO I4667 " -0.059 5.00e-02 4.00e+02 ... (remaining 22089 not shown) Histogram of nonbonded interaction distances: 1.37 - 2.08: 20 2.08 - 2.78: 29784 2.78 - 3.49: 163147 3.49 - 4.19: 282788 4.19 - 4.90: 465246 Nonbonded interactions: 940985 Sorted by model distance: nonbonded pdb=" O UNK G3557 " pdb=" CB UNK G3561 " model vdw 1.373 3.440 nonbonded pdb=" CB UNK G1297 " pdb=" O UNK G1452 " model vdw 1.374 3.440 nonbonded pdb=" O UNK I1487 " pdb=" CB UNK I1551 " model vdw 1.374 3.440 nonbonded pdb=" CB UNK E1297 " pdb=" O UNK E1452 " model vdw 1.374 3.440 nonbonded pdb=" O UNK I3557 " pdb=" CB UNK I3561 " model vdw 1.374 3.440 ... (remaining 940980 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: 0.010 Normalize map: mean=0, sd=1: 2.370 Set stop_for_unknowns flag: 0.000 Assert model is a single copy model: 0.000 Assert all atoms have isotropic ADPs: 0.010 Construct map_model_manager: 0.100 Extract box with map and model: 17.460 Check model and map are aligned: 1.290 Set scattering table: 0.840 Process input model: 292.580 Find NCS groups from input model: 6.380 Set up NCS constraints: 0.600 Set refine NCS operators: 0.000 Adjust number of macro_cycles: 0.000 Reset NCS operators: 0.030 Extract rigid body selections: 0.000 Check and reset occupancies: 0.020 Load rotamer database and sin/cos tables:2.530 Set ADP refinement strategy: 0.000 Make a string to write initial .geo file:0.000 Internal consistency checks: 0.000 Total: 324.220 ------------------------------------------------------------------------------- Set refinement monitor ********************** ------------------------------------------------------------------------------- Setup refinement engine *********************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.2813 moved from start: 0.0000 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.005 0.070 123012 Z= 0.316 Angle : 0.983 13.910 167720 Z= 0.536 Chirality : 0.049 0.393 19600 Planarity : 0.007 0.106 22092 Dihedral : 10.231 80.008 41064 Min Nonbonded Distance : 1.373 Molprobity Statistics. All-atom Clashscore : 8.08 Ramachandran Plot: Outliers : 0.20 % Allowed : 11.20 % Favored : 88.60 % Rotamer: Outliers : 0.36 % Allowed : 2.62 % Favored : 97.02 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.61 % Cis-general : 0.00 % Twisted Proline : 3.05 % Twisted General : 0.38 % 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: -4.91 (0.06), residues: 13356 helix: -3.37 (0.04), residues: 5400 sheet: -3.00 (0.13), residues: 1272 loop : -3.20 (0.06), residues: 6684 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.033 0.003 TRP E5019 HIS 0.015 0.002 HIS B4886 PHE 0.029 0.003 PHE I1748 TYR 0.035 0.003 TYR I3765 ARG 0.026 0.001 ARG G4913 *********************** 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 11 residues out of total 88 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 11 time to evaluate : 0.078 Fit side-chains revert: symmetry clash outliers start: 0 outliers final: 0 residues processed: 11 average time/residue: 0.2400 time to fit residues: 2.8201 Evaluate side-chains 4 residues out of total 88 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 4 time to evaluate : 0.073 Evaluate side-chains 521 residues out of total 2839 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 8 poor density : 513 time to evaluate : 2.221 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: B 581 ASN cc_start: 0.6046 (p0) cc_final: 0.5683 (p0) REVERT: B 2423 MET cc_start: 0.1815 (ppp) cc_final: 0.1450 (ptp) REVERT: B 3805 LEU cc_start: 0.6453 (OUTLIER) cc_final: 0.6233 (pp) REVERT: B 3920 VAL cc_start: 0.6418 (t) cc_final: 0.5992 (t) REVERT: B 4045 VAL cc_start: 0.7285 (t) cc_final: 0.5635 (p) REVERT: B 4150 LEU cc_start: 0.7386 (mt) cc_final: 0.6965 (mt) REVERT: B 4178 LEU cc_start: 0.8129 (tp) cc_final: 0.7827 (tt) REVERT: B 4723 LYS cc_start: 0.8410 (mtpt) cc_final: 0.7960 (ttpt) REVERT: B 4818 MET cc_start: 0.5590 (tmt) cc_final: 0.4882 (tmm) REVERT: B 4825 THR cc_start: 0.7200 (p) cc_final: 0.6916 (p) REVERT: B 5013 MET cc_start: 0.6750 (mtt) cc_final: 0.6493 (mpp) outliers start: 8 outliers final: 1 residues processed: 519 average time/residue: 0.3663 time to fit residues: 291.7684 Evaluate side-chains 292 residues out of total 2839 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2 poor density : 290 time to evaluate : 2.278 ------------------------------------------------------------------------------- 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: 7.9990 chunk 30 optimal weight: 20.0000 chunk 16 optimal weight: 4.9990 chunk 10 optimal weight: 30.0000 chunk 20 optimal weight: 40.0000 chunk 31 optimal weight: 5.9990 chunk 12 optimal weight: 3.9990 chunk 19 optimal weight: 0.1980 chunk 23 optimal weight: 1.9990 chunk 36 optimal weight: 0.4980 chunk 11 optimal weight: 9.9990 overall best weight: 2.3386 ------------------------------------------------------------------------------- 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 23 GLN B 57 ASN B 111 HIS B 113 HIS ** B 197 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 203 ASN 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 B 405 HIS B 479 GLN ** B 582 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 639 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B 797 HIS B 877 ASN ** B1035 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B1158 ASN ** B1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B1231 GLN ** B1679 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B1691 GLN ** B1693 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B1719 HIS B1775 HIS B2005 GLN B2100 HIS ** B2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B2169 GLN B2268 GLN B2858 GLN B2884 ASN ** B3766 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3809 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3837 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B3882 GLN ** B3889 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3960 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4054 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B4142 ASN B4156 HIS B4553 ASN ** B4833 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4836 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B4886 HIS ** B4984 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B4997 ASN Total number of N/Q/H flips: 29 ------------------------------------------------------------------------------- Update NCS operators ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.2897 moved from start: 0.2965 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.057 123012 Z= 0.194 Angle : 0.722 17.184 167720 Z= 0.364 Chirality : 0.041 0.322 19600 Planarity : 0.005 0.085 22092 Dihedral : 6.112 51.687 18056 Min Nonbonded Distance : 2.064 Molprobity Statistics. All-atom Clashscore : 15.59 Ramachandran Plot: Outliers : 0.06 % Allowed : 9.70 % Favored : 90.24 % Rotamer: Outliers : 0.12 % Allowed : 2.32 % Favored : 97.56 % 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: -3.50 (0.06), residues: 13356 helix: -1.80 (0.06), residues: 5608 sheet: -2.26 (0.15), residues: 1044 loop : -2.82 (0.07), residues: 6704 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.030 0.002 TRP I3935 HIS 0.009 0.001 HIS G 273 PHE 0.053 0.002 PHE E3962 TYR 0.020 0.002 TYR E4967 ARG 0.019 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 4 residues out of total 88 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 4 time to evaluate : 0.077 Fit side-chains outliers start: 0 outliers final: 0 residues processed: 4 average time/residue: 0.1577 time to fit residues: 0.7747 Evaluate side-chains 3 residues out of total 88 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 3 time to evaluate : 0.074 Evaluate side-chains 381 residues out of total 2839 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 3 poor density : 378 time to evaluate : 2.253 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: B 1814 MET cc_start: 0.4330 (mmm) cc_final: 0.3696 (tpp) REVERT: B 1851 MET cc_start: 0.1739 (mmp) cc_final: 0.1204 (mmt) REVERT: B 1958 LEU cc_start: 0.5983 (mm) cc_final: 0.5623 (tp) REVERT: B 2423 MET cc_start: 0.2154 (ppp) cc_final: 0.1359 (ptp) REVERT: B 3836 MET cc_start: 0.5361 (ttt) cc_final: 0.4747 (ttt) REVERT: B 3901 ASN cc_start: 0.7024 (m-40) cc_final: 0.6129 (m-40) REVERT: B 4000 MET cc_start: 0.3541 (ttt) cc_final: 0.3272 (ttt) REVERT: B 4045 VAL cc_start: 0.7750 (t) cc_final: 0.7111 (p) REVERT: B 4234 PHE cc_start: 0.6051 (t80) cc_final: 0.5688 (t80) REVERT: B 4723 LYS cc_start: 0.8391 (mtpt) cc_final: 0.8169 (ttpt) REVERT: B 4796 MET cc_start: 0.5882 (tpt) cc_final: 0.5282 (tpp) REVERT: B 4825 THR cc_start: 0.6974 (p) cc_final: 0.6761 (p) REVERT: B 4839 MET cc_start: 0.4076 (ttp) cc_final: 0.3797 (ttt) REVERT: B 4850 LEU cc_start: 0.7008 (tp) cc_final: 0.6719 (tt) outliers start: 3 outliers final: 1 residues processed: 379 average time/residue: 0.3589 time to fit residues: 210.9929 Evaluate side-chains 259 residues out of total 2839 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 1 poor density : 258 time to evaluate : 2.023 ------------------------------------------------------------------------------- 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: 20.0000 chunk 24 optimal weight: 0.0870 chunk 10 optimal weight: 30.0000 chunk 36 optimal weight: 3.9990 chunk 39 optimal weight: 9.9990 chunk 32 optimal weight: 8.9990 chunk 12 optimal weight: 3.9990 chunk 29 optimal weight: 1.9990 chunk 35 optimal weight: 0.0000 chunk 27 optimal weight: 0.2980 chunk 18 optimal weight: 0.8980 overall best weight: 0.6564 ------------------------------------------------------------------------------- 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 79 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 197 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 273 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B 379 HIS B 395 GLN B 479 GLN ** B 582 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B 624 ASN B 877 ASN ** B1035 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B1231 GLN B1598 GLN ** B1679 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B1837 GLN ** B2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3704 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3766 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3809 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3900 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3978 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B3982 HIS B3998 HIS ** B4054 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B4120 ASN B4209 GLN ** B4833 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4836 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4984 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 12 ------------------------------------------------------------------------------- Update NCS operators ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.2902 moved from start: 0.3460 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.073 123012 Z= 0.268 Angle : 0.942 21.655 167720 Z= 0.463 Chirality : 0.049 0.535 19600 Planarity : 0.012 0.406 22092 Dihedral : 6.406 65.470 18056 Min Nonbonded Distance : 2.019 Molprobity Statistics. All-atom Clashscore : 17.97 Ramachandran Plot: Outliers : 0.12 % Allowed : 10.66 % Favored : 89.22 % Rotamer: Outliers : 0.50 % Allowed : 3.56 % Favored : 95.93 % 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: -3.65 (0.06), residues: 13356 helix: -1.93 (0.06), residues: 5612 sheet: -2.18 (0.15), residues: 976 loop : -2.92 (0.07), residues: 6768 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.040 0.005 TRP E1626 HIS 0.044 0.004 HIS E3998 PHE 0.070 0.005 PHE G4789 TYR 0.108 0.005 TYR B4715 ARG 0.038 0.002 ARG E2118 *********************** 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 4 residues out of total 88 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 4 time to evaluate : 0.076 Fit side-chains outliers start: 0 outliers final: 0 residues processed: 4 average time/residue: 0.1731 time to fit residues: 0.8472 Evaluate side-chains 3 residues out of total 88 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 3 time to evaluate : 0.083 Evaluate side-chains 343 residues out of total 2839 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 13 poor density : 330 time to evaluate : 2.283 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: B 1851 MET cc_start: 0.1807 (mmp) cc_final: 0.1326 (mmt) REVERT: B 1958 LEU cc_start: 0.5968 (mm) cc_final: 0.5468 (tp) REVERT: B 2423 MET cc_start: 0.2506 (ppp) cc_final: 0.1558 (ptp) REVERT: B 3794 VAL cc_start: 0.5731 (t) cc_final: 0.5301 (t) REVERT: B 3928 GLU cc_start: 0.6278 (tt0) cc_final: 0.5819 (tp30) REVERT: B 4045 VAL cc_start: 0.7414 (t) cc_final: 0.6649 (p) REVERT: B 4222 VAL cc_start: 0.6782 (m) cc_final: 0.6013 (m) REVERT: B 4245 MET cc_start: 0.6308 (mmm) cc_final: 0.5829 (mmm) REVERT: B 4796 MET cc_start: 0.6272 (tpt) cc_final: 0.6052 (tpt) outliers start: 13 outliers final: 5 residues processed: 336 average time/residue: 0.3347 time to fit residues: 179.4833 Evaluate side-chains 251 residues out of total 2839 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 5 poor density : 246 time to evaluate : 2.264 ------------------------------------------------------------------------------- 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: 4.9990 chunk 17 optimal weight: 0.6980 chunk 24 optimal weight: 1.9990 chunk 36 optimal weight: 0.0070 chunk 38 optimal weight: 0.7980 chunk 19 optimal weight: 0.2980 chunk 34 optimal weight: 0.0030 chunk 10 optimal weight: 40.0000 chunk 32 optimal weight: 8.9990 chunk 21 optimal weight: 8.9990 chunk 0 optimal weight: 20.0000 overall best weight: 0.3608 ------------------------------------------------------------------------------- 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 79 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 197 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 273 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B 395 GLN ** B 413 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 479 GLN ** B 582 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 624 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1035 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1679 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B1837 GLN ** B2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3699 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3704 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3766 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B3781 GLN ** B3809 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B3833 GLN ** B3889 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3900 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3960 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3978 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3982 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3998 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4054 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4216 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4776 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4833 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4836 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4933 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4946 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4984 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 5 ------------------------------------------------------------------------------- Update NCS operators ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.2910 moved from start: 0.3549 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.072 123012 Z= 0.268 Angle : 0.940 21.644 167720 Z= 0.461 Chirality : 0.049 0.539 19600 Planarity : 0.012 0.406 22092 Dihedral : 6.405 65.345 18056 Min Nonbonded Distance : 0.999 Molprobity Statistics. All-atom Clashscore : 28.78 Ramachandran Plot: Outliers : 0.12 % Allowed : 10.63 % Favored : 89.25 % Rotamer: Outliers : 0.00 % Allowed : 0.23 % Favored : 99.77 % 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: -3.65 (0.06), residues: 13356 helix: -1.93 (0.06), residues: 5612 sheet: -2.18 (0.15), residues: 976 loop : -2.92 (0.07), residues: 6768 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.040 0.005 TRP G1626 HIS 0.043 0.004 HIS E3998 PHE 0.068 0.005 PHE E4789 TYR 0.105 0.005 TYR B4715 ARG 0.036 0.002 ARG J 71 *********************** 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 4 residues out of total 88 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 4 time to evaluate : 0.080 Fit side-chains outliers start: 0 outliers final: 0 residues processed: 4 average time/residue: 0.1794 time to fit residues: 0.8802 Evaluate side-chains 3 residues out of total 88 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 3 time to evaluate : 0.077 Evaluate side-chains 302 residues out of total 2839 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 302 time to evaluate : 2.253 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: B 150 MET cc_start: 0.5680 (ppp) cc_final: 0.5402 (ppp) REVERT: B 1851 MET cc_start: 0.1777 (mmp) cc_final: 0.1305 (mmt) REVERT: B 1958 LEU cc_start: 0.5973 (mm) cc_final: 0.5503 (tp) REVERT: B 2423 MET cc_start: 0.2494 (ppp) cc_final: 0.1545 (ptp) REVERT: B 3928 GLU cc_start: 0.6210 (tt0) cc_final: 0.5836 (tp30) REVERT: B 4045 VAL cc_start: 0.7433 (t) cc_final: 0.6998 (p) REVERT: B 4222 VAL cc_start: 0.6286 (m) cc_final: 0.6024 (m) REVERT: B 4245 MET cc_start: 0.6300 (mmm) cc_final: 0.5840 (mmm) outliers start: 0 outliers final: 0 residues processed: 302 average time/residue: 0.3279 time to fit residues: 159.4541 Evaluate side-chains 246 residues out of total 2839 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 246 time to evaluate : 2.287 ------------------------------------------------------------------------------- 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: 70.4874 > 50: distance: 0 - 1: 21.660 distance: 1 - 2: 47.075 distance: 1 - 4: 35.667 distance: 2 - 3: 43.897 distance: 2 - 9: 43.701 distance: 4 - 5: 27.448 distance: 5 - 6: 13.020 distance: 6 - 7: 10.707 distance: 6 - 8: 12.826 distance: 9 - 10: 51.570 distance: 10 - 11: 55.626 distance: 10 - 13: 33.083 distance: 11 - 12: 10.659 distance: 11 - 20: 63.202 distance: 13 - 14: 34.069 distance: 14 - 15: 8.386 distance: 15 - 16: 37.923 distance: 16 - 17: 5.174 distance: 17 - 18: 13.306 distance: 17 - 19: 24.092 distance: 20 - 21: 50.965 distance: 21 - 22: 15.313 distance: 21 - 24: 42.977 distance: 22 - 23: 50.471 distance: 22 - 25: 11.206 distance: 25 - 26: 47.598 distance: 26 - 27: 46.528 distance: 26 - 29: 44.523 distance: 27 - 28: 37.013 distance: 27 - 34: 41.372 distance: 29 - 30: 51.953 distance: 31 - 32: 40.098 distance: 32 - 33: 33.331 distance: 34 - 35: 32.077 distance: 35 - 36: 46.998 distance: 35 - 38: 29.481 distance: 36 - 37: 12.086 distance: 36 - 42: 39.623 distance: 38 - 39: 19.793 distance: 39 - 40: 14.017 distance: 42 - 43: 29.446 distance: 43 - 44: 12.953 distance: 44 - 45: 62.334 distance: 44 - 49: 13.521 distance: 46 - 47: 40.024 distance: 46 - 48: 57.622 distance: 49 - 50: 25.919 distance: 50 - 51: 28.368 distance: 50 - 53: 49.864 distance: 51 - 52: 37.499 distance: 51 - 55: 45.089 distance: 53 - 54: 40.713 distance: 55 - 56: 21.651 distance: 56 - 57: 42.697 distance: 56 - 59: 22.966 distance: 57 - 58: 26.048 distance: 57 - 62: 14.435 distance: 59 - 60: 42.255 distance: 59 - 61: 34.951 distance: 62 - 63: 40.787 distance: 62 - 68: 53.890 distance: 63 - 64: 28.911 distance: 63 - 66: 14.743 distance: 64 - 65: 46.026 distance: 64 - 69: 52.638 distance: 66 - 67: 18.795 distance: 67 - 68: 40.452 distance: 69 - 70: 39.548 distance: 70 - 71: 14.396 distance: 70 - 73: 10.457 distance: 71 - 72: 33.395 distance: 73 - 74: 18.990 distance: 74 - 75: 15.268 distance: 74 - 76: 11.607