Starting phenix.real_space_refine on Thu Feb 15 17:09:27 2024 by dcliebschner =============================================================================== Processing files: ------------------------------------------------------------------------------- Found model, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7tdh_25829/02_2024/7tdh_25829_neut_updated.pdb Found real_map, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7tdh_25829/02_2024/7tdh_25829.map Processing PHIL parameters: ------------------------------------------------------------------------------- Adding command-line PHIL: ------------------------- refinement.macro_cycles=10 scattering_table=electron resolution=4.0 write_initial_geo_file=False Final processed PHIL parameters: ------------------------------------------------------------------------------- data_manager { real_map_files = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7tdh_25829/02_2024/7tdh_25829.map" default_real_map = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7tdh_25829/02_2024/7tdh_25829.map" model { file = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7tdh_25829/02_2024/7tdh_25829_neut_updated.pdb" } default_model = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7tdh_25829/02_2024/7tdh_25829_neut_updated.pdb" } resolution = 4.0 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= 0.009 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: 7 Type Number sf(0) Gaussians Ca 8 9.91 5 Zn 4 6.06 5 P 12 5.49 5 S 628 5.16 5 C 74416 2.51 5 N 20816 2.21 5 O 21648 1.98 5 sf(0) = scattering factor at diffraction angle 0. Process input model Symmetric amino acids flipped Residue "A GLU 139": "OE1" <-> "OE2" Residue "A GLU 211": "OE1" <-> "OE2" Residue "A GLU 381": "OE1" <-> "OE2" Residue "A GLU 555": "OE1" <-> "OE2" Residue "A ASP 749": "OD1" <-> "OD2" Residue "A GLU 1108": "OE1" <-> "OE2" Residue "A GLU 1652": "OE1" <-> "OE2" Residue "A GLU 1817": "OE1" <-> "OE2" Residue "A GLU 3754": "OE1" <-> "OE2" Residue "A GLU 3789": "OE1" <-> "OE2" Residue "A GLU 3811": "OE1" <-> "OE2" Residue "A PHE 3887": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A GLU 3944": "OE1" <-> "OE2" Residue "A GLU 4032": "OE1" <-> "OE2" Residue "A GLU 4239": "OE1" <-> "OE2" Residue "A GLU 4690": "OE1" <-> "OE2" Residue "A GLU 4869": "OE1" <-> "OE2" Residue "A GLU 4900": "OE1" <-> "OE2" Residue "A GLU 4948": "OE1" <-> "OE2" Residue "A GLU 5002": "OE1" <-> "OE2" Residue "A GLU 5016": "OE1" <-> "OE2" Residue "B GLU 139": "OE1" <-> "OE2" Residue "B GLU 211": "OE1" <-> "OE2" Residue "B GLU 381": "OE1" <-> "OE2" Residue "B GLU 555": "OE1" <-> "OE2" Residue "B GLU 1108": "OE1" <-> "OE2" Residue "B GLU 1652": "OE1" <-> "OE2" Residue "B GLU 1817": "OE1" <-> "OE2" Residue "B GLU 3754": "OE1" <-> "OE2" Residue "B GLU 3789": "OE1" <-> "OE2" Residue "B GLU 3811": "OE1" <-> "OE2" Residue "B PHE 3887": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B GLU 3944": "OE1" <-> "OE2" Residue "B GLU 4032": "OE1" <-> "OE2" Residue "B GLU 4239": "OE1" <-> "OE2" Residue "B GLU 4690": "OE1" <-> "OE2" Residue "B GLU 4869": "OE1" <-> "OE2" Residue "B GLU 4900": "OE1" <-> "OE2" Residue "B GLU 4948": "OE1" <-> "OE2" Residue "B GLU 5002": "OE1" <-> "OE2" Residue "B GLU 5016": "OE1" <-> "OE2" Residue "C GLU 139": "OE1" <-> "OE2" Residue "C GLU 211": "OE1" <-> "OE2" Residue "C GLU 381": "OE1" <-> "OE2" Residue "C GLU 555": "OE1" <-> "OE2" Residue "C GLU 1108": "OE1" <-> "OE2" Residue "C GLU 1652": "OE1" <-> "OE2" Residue "C GLU 1817": "OE1" <-> "OE2" Residue "C GLU 3754": "OE1" <-> "OE2" Residue "C GLU 3789": "OE1" <-> "OE2" Residue "C GLU 3811": "OE1" <-> "OE2" Residue "C PHE 3887": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C GLU 3944": "OE1" <-> "OE2" Residue "C GLU 4032": "OE1" <-> "OE2" Residue "C GLU 4239": "OE1" <-> "OE2" Residue "C GLU 4690": "OE1" <-> "OE2" Residue "C GLU 4869": "OE1" <-> "OE2" Residue "C GLU 4900": "OE1" <-> "OE2" Residue "C GLU 4948": "OE1" <-> "OE2" Residue "C GLU 5002": "OE1" <-> "OE2" Residue "C GLU 5016": "OE1" <-> "OE2" Residue "D GLU 139": "OE1" <-> "OE2" Residue "D GLU 211": "OE1" <-> "OE2" Residue "D GLU 381": "OE1" <-> "OE2" Residue "D GLU 555": "OE1" <-> "OE2" Residue "D GLU 1108": "OE1" <-> "OE2" Residue "D GLU 1652": "OE1" <-> "OE2" Residue "D GLU 1817": "OE1" <-> "OE2" Residue "D GLU 3754": "OE1" <-> "OE2" Residue "D GLU 3789": "OE1" <-> "OE2" Residue "D GLU 3811": "OE1" <-> "OE2" Residue "D PHE 3887": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D GLU 3944": "OE1" <-> "OE2" Residue "D GLU 4032": "OE1" <-> "OE2" Residue "D GLU 4239": "OE1" <-> "OE2" Residue "D GLU 4690": "OE1" <-> "OE2" Residue "D GLU 4869": "OE1" <-> "OE2" Residue "D GLU 4900": "OE1" <-> "OE2" Residue "D GLU 4948": "OE1" <-> "OE2" Residue "D GLU 5002": "OE1" <-> "OE2" Residue "D GLU 5016": "OE1" <-> "OE2" Time to flip residues: 0.32s Monomer Library directory: "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5238/modules/chem_data/mon_lib" Total number of atoms: 117532 Number of models: 1 Model: "" Number of chains: 8 Chain: "A" Number of atoms: 29349 Number of conformers: 1 Conformer: "" Number of residues, atoms: 4165, 29349 Classifications: {'peptide': 4165} Modifications used: {'COO': 1} Incomplete info: {'truncation_to_alanine': 1244} Link IDs: {'PCIS': 1, 'PTRANS': 156, 'TRANS': 4007} Chain breaks: 25 Unresolved chain link angles: 5 Unresolved non-hydrogen bonds: 3022 Unresolved non-hydrogen angles: 4223 Unresolved non-hydrogen dihedrals: 1877 Unresolved non-hydrogen chiralities: 55 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': 5, 'GLU:plan': 83, 'ARG:plan': 33} Unresolved non-hydrogen planarities: 1761 Chain: "B" Number of atoms: 29349 Number of conformers: 1 Conformer: "" Number of residues, atoms: 4165, 29349 Classifications: {'peptide': 4165} Modifications used: {'COO': 1} Incomplete info: {'truncation_to_alanine': 1244} Link IDs: {'PCIS': 1, 'PTRANS': 156, 'TRANS': 4007} Chain breaks: 25 Unresolved chain link angles: 5 Unresolved non-hydrogen bonds: 3022 Unresolved non-hydrogen angles: 4223 Unresolved non-hydrogen dihedrals: 1877 Unresolved non-hydrogen chiralities: 55 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': 5, 'GLU:plan': 83, 'ARG:plan': 33} Unresolved non-hydrogen planarities: 1761 Chain: "C" Number of atoms: 29349 Number of conformers: 1 Conformer: "" Number of residues, atoms: 4165, 29349 Classifications: {'peptide': 4165} Modifications used: {'COO': 1} Incomplete info: {'truncation_to_alanine': 1244} Link IDs: {'PCIS': 1, 'PTRANS': 156, 'TRANS': 4007} Chain breaks: 25 Unresolved chain link angles: 5 Unresolved non-hydrogen bonds: 3022 Unresolved non-hydrogen angles: 4223 Unresolved non-hydrogen dihedrals: 1877 Unresolved non-hydrogen chiralities: 55 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': 5, 'GLU:plan': 83, 'ARG:plan': 33} Unresolved non-hydrogen planarities: 1761 Chain: "D" Number of atoms: 29349 Number of conformers: 1 Conformer: "" Number of residues, atoms: 4165, 29349 Classifications: {'peptide': 4165} Modifications used: {'COO': 1} Incomplete info: {'truncation_to_alanine': 1244} Link IDs: {'PCIS': 1, 'PTRANS': 156, 'TRANS': 4007} Chain breaks: 25 Unresolved chain link angles: 5 Unresolved non-hydrogen bonds: 3022 Unresolved non-hydrogen angles: 4223 Unresolved non-hydrogen dihedrals: 1877 Unresolved non-hydrogen chiralities: 55 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': 5, 'GLU:plan': 83, 'ARG:plan': 33} Unresolved non-hydrogen planarities: 1761 Chain: "A" Number of atoms: 34 Number of conformers: 1 Conformer: "" Number of residues, atoms: 4, 34 Unusual residues: {' CA': 2, ' ZN': 1, 'ACP': 1} Classifications: {'undetermined': 4} Link IDs: {None: 3} Chain: "B" Number of atoms: 34 Number of conformers: 1 Conformer: "" Number of residues, atoms: 4, 34 Unusual residues: {' CA': 2, ' ZN': 1, 'ACP': 1} Classifications: {'undetermined': 4} Link IDs: {None: 3} Chain: "C" Number of atoms: 34 Number of conformers: 1 Conformer: "" Number of residues, atoms: 4, 34 Unusual residues: {' CA': 2, ' ZN': 1, 'ACP': 1} Classifications: {'undetermined': 4} Link IDs: {None: 3} Chain: "D" Number of atoms: 34 Number of conformers: 1 Conformer: "" Number of residues, atoms: 4, 34 Unusual residues: {' CA': 2, ' ZN': 1, 'ACP': 1} Classifications: {'undetermined': 4} Link IDs: {None: 3} List of CYS excluded from plausible disulfide bonds: (reason: may participate in coordination) ATOM 28702 SG CYS A4961 179.143 207.241 102.061 1.00133.13 S ATOM 29259 SG CYS A5027 180.180 209.774 99.185 1.00200.53 S ATOM 58026 SG CYS B4958 178.173 179.371 105.315 1.00161.69 S ATOM 58051 SG CYS B4961 179.501 179.150 102.066 1.00133.13 S ATOM 87400 SG CYS C4961 207.602 179.504 102.060 1.00133.13 S ATOM 87957 SG CYS C5027 206.565 176.971 99.184 1.00200.53 S ATOM A0CX9 SG CYS D4961 207.255 207.607 102.065 1.00133.13 S ATOM A0DCQ SG CYS D5027 209.788 206.571 99.189 1.00200.53 S Time building chain proxies: 44.50, per 1000 atoms: 0.38 Number of scatterers: 117532 At special positions: 0 Unit cell: (387.855, 387.855, 194.48, 90, 90, 90) Space group: P 1 (No. 1) Number of sites at special positions: 0 Number of scattering types: 7 Type Number sf(0) Zn 4 29.99 Ca 8 19.99 S 628 16.00 P 12 15.00 O 21648 8.00 N 20816 7.00 C 74416 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: 33.25 Conformation dependent library (CDL) restraints added in 13.1 seconds Dynamic metal coordination Zn2+ tetrahedral coordination pdb=" ZN A5101 " pdb="ZN ZN A5101 " - pdb=" NE2 HIS A4983 " pdb="ZN ZN A5101 " - pdb=" NE2 HIS A4978 " pdb="ZN ZN A5101 " - pdb=" SG CYS A5027 " pdb="ZN ZN A5101 " - pdb=" SG CYS A4961 " pdb=" ZN B5101 " pdb="ZN ZN B5101 " - pdb=" SG CYS B4961 " pdb="ZN ZN B5101 " - pdb=" SG CYS B4958 " pdb="ZN ZN B5101 " - pdb=" NE2 HIS B4978 " pdb=" ZN C5101 " pdb="ZN ZN C5101 " - pdb=" NE2 HIS C4983 " pdb="ZN ZN C5101 " - pdb=" NE2 HIS C4978 " pdb="ZN ZN C5101 " - pdb=" SG CYS C5027 " pdb="ZN ZN C5101 " - pdb=" SG CYS C4961 " pdb=" ZN D5101 " pdb="ZN ZN D5101 " - pdb=" NE2 HIS D4978 " pdb="ZN ZN D5101 " - pdb=" NE2 HIS D4983 " pdb="ZN ZN D5101 " - pdb=" SG CYS D4961 " pdb="ZN ZN D5101 " - pdb=" SG CYS D5027 " Number of angles added : 6 25848 Ramachandran restraints generated. 12924 Oldfield, 0 Emsley, 12924 emsley8k and 0 Phi/Psi/2. Adding C-beta torsion restraints... Number of C-beta restraints generated: 31584 Finding SS restraints... Warning!!! ksdssp method is not applicable for structures that cannot fit in PDB format. Switching to from_ca. running find_ss_from_ca liberal... Secondary structure from input PDB file: 496 helices and 48 sheets defined 54.1% alpha, 6.2% beta 0 base pairs and 0 stacking pairs defined. Time for finding SS restraints: 29.04 Creating SS restraints... Processing helix chain 'A' and resid 61 through 66 removed outlier: 4.642A pdb=" N CYS A 65 " --> pdb=" O ASP A 61 " (cutoff:3.500A) removed outlier: 3.988A pdb=" N CYS A 66 " --> pdb=" O LEU A 62 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 61 through 66' Processing helix chain 'A' and resid 74 through 84 Processing helix chain 'A' and resid 250 through 256 removed outlier: 6.184A pdb=" N THR A 254 " --> pdb=" O GLY A 250 " (cutoff:3.500A) removed outlier: 5.269A pdb=" N HIS A 255 " --> pdb=" O ALA A 251 " (cutoff:3.500A) removed outlier: 5.138A pdb=" N ALA A 256 " --> pdb=" O VAL A 252 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 250 through 256' Processing helix chain 'A' and resid 364 through 371 removed outlier: 3.957A pdb=" N VAL A 371 " --> pdb=" O LEU A 367 " (cutoff:3.500A) Processing helix chain 'A' and resid 396 through 425 removed outlier: 4.394A pdb=" N GLN A 413 " --> pdb=" O GLY A 409 " (cutoff:3.500A) removed outlier: 3.761A pdb=" N PHE A 414 " --> pdb=" O LEU A 410 " (cutoff:3.500A) removed outlier: 3.812A pdb=" N PHE A 421 " --> pdb=" O GLY A 417 " (cutoff:3.500A) removed outlier: 4.444A pdb=" N GLY A 423 " --> pdb=" O ASP A 419 " (cutoff:3.500A) removed outlier: 4.560A pdb=" N LYS A 424 " --> pdb=" O SER A 420 " (cutoff:3.500A) Proline residue: A 425 - end of helix Processing helix chain 'A' and resid 437 through 453 removed outlier: 4.804A pdb=" N VAL A 441 " --> pdb=" O PRO A 437 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N GLN A 446 " --> pdb=" O ILE A 442 " (cutoff:3.500A) removed outlier: 3.891A pdb=" N PHE A 452 " --> pdb=" O LEU A 448 " (cutoff:3.500A) removed outlier: 5.728A pdb=" N GLU A 453 " --> pdb=" O ILE A 449 " (cutoff:3.500A) Processing helix chain 'A' and resid 461 through 481 removed outlier: 3.665A pdb=" N ARG A 469 " --> pdb=" O GLN A 465 " (cutoff:3.500A) removed outlier: 4.183A pdb=" N GLU A 480 " --> pdb=" O SER A 476 " (cutoff:3.500A) removed outlier: 5.058A pdb=" N GLU A 481 " --> pdb=" O LEU A 477 " (cutoff:3.500A) Processing helix chain 'A' and resid 484 through 496 removed outlier: 3.948A pdb=" N CYS A 490 " --> pdb=" O LEU A 486 " (cutoff:3.500A) removed outlier: 4.682A pdb=" N VAL A 496 " --> pdb=" O ASP A 492 " (cutoff:3.500A) Processing helix chain 'A' and resid 510 through 531 removed outlier: 5.211A pdb=" N SER A 514 " --> pdb=" O GLU A 510 " (cutoff:3.500A) removed outlier: 4.245A pdb=" N TRP A 515 " --> pdb=" O ALA A 511 " (cutoff:3.500A) removed outlier: 4.981A pdb=" N LYS A 516 " --> pdb=" O ALA A 512 " (cutoff:3.500A) removed outlier: 5.341A pdb=" N GLU A 517 " --> pdb=" O GLU A 513 " (cutoff:3.500A) removed outlier: 4.642A pdb=" N ILE A 518 " --> pdb=" O SER A 514 " (cutoff:3.500A) Processing helix chain 'A' and resid 533 through 540 removed outlier: 4.645A pdb=" N CYS A 537 " --> pdb=" O ASN A 533 " (cutoff:3.500A) removed outlier: 3.912A pdb=" N LEU A 539 " --> pdb=" O ALA A 535 " (cutoff:3.500A) removed outlier: 5.258A pdb=" N PHE A 540 " --> pdb=" O ASN A 536 " (cutoff:3.500A) Processing helix chain 'A' and resid 541 through 551 removed outlier: 4.634A pdb=" N ASP A 545 " --> pdb=" O SER A 541 " (cutoff:3.500A) removed outlier: 4.617A pdb=" N TRP A 546 " --> pdb=" O THR A 542 " (cutoff:3.500A) removed outlier: 3.773A pdb=" N VAL A 548 " --> pdb=" O LEU A 544 " (cutoff:3.500A) removed outlier: 4.600A pdb=" N LEU A 551 " --> pdb=" O VAL A 547 " (cutoff:3.500A) Processing helix chain 'A' and resid 555 through 571 removed outlier: 4.103A pdb=" N LEU A 561 " --> pdb=" O SER A 557 " (cutoff:3.500A) removed outlier: 6.082A pdb=" N GLU A 562 " --> pdb=" O SER A 558 " (cutoff:3.500A) removed outlier: 4.964A pdb=" N VAL A 563 " --> pdb=" O GLY A 559 " (cutoff:3.500A) Processing helix chain 'A' and resid 573 through 578 removed outlier: 4.344A pdb=" N ILE A 577 " --> pdb=" O GLU A 573 " (cutoff:3.500A) removed outlier: 4.414A pdb=" N ILE A 578 " --> pdb=" O VAL A 574 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 573 through 578' Processing helix chain 'A' and resid 579 through 594 removed outlier: 6.091A pdb=" N ILE A 583 " --> pdb=" O GLN A 579 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N LEU A 590 " --> pdb=" O ILE A 586 " (cutoff:3.500A) removed outlier: 3.979A pdb=" N ASP A 591 " --> pdb=" O ILE A 587 " (cutoff:3.500A) Processing helix chain 'A' and resid 598 through 609 removed outlier: 4.223A pdb=" N VAL A 602 " --> pdb=" O LYS A 598 " (cutoff:3.500A) removed outlier: 4.376A pdb=" N LEU A 603 " --> pdb=" O VAL A 599 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N CYS A 607 " --> pdb=" O LEU A 603 " (cutoff:3.500A) removed outlier: 4.495A pdb=" N VAL A 608 " --> pdb=" O CYS A 604 " (cutoff:3.500A) removed outlier: 4.550A pdb=" N CYS A 609 " --> pdb=" O SER A 605 " (cutoff:3.500A) Processing helix chain 'A' and resid 614 through 626 removed outlier: 4.327A pdb=" N GLN A 618 " --> pdb=" O VAL A 614 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N THR A 622 " --> pdb=" O GLN A 618 " (cutoff:3.500A) removed outlier: 5.402A pdb=" N LEU A 626 " --> pdb=" O THR A 622 " (cutoff:3.500A) Processing helix chain 'A' and resid 865 through 890 removed outlier: 4.745A pdb=" N ARG A 869 " --> pdb=" O PRO A 865 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N ILE A 870 " --> pdb=" O HIS A 866 " (cutoff:3.500A) removed outlier: 4.020A pdb=" N GLU A 876 " --> pdb=" O GLU A 872 " (cutoff:3.500A) removed outlier: 3.716A pdb=" N ASN A 877 " --> pdb=" O LYS A 873 " (cutoff:3.500A) Processing helix chain 'A' and resid 914 through 936 removed outlier: 4.022A pdb=" N TYR A 920 " --> pdb=" O PRO A 916 " (cutoff:3.500A) removed outlier: 4.694A pdb=" N GLY A 936 " --> pdb=" O LEU A 932 " (cutoff:3.500A) Processing helix chain 'A' and resid 945 through 950 removed outlier: 4.510A pdb=" N ASN A 949 " --> pdb=" O LYS A 945 " (cutoff:3.500A) removed outlier: 4.064A pdb=" N LEU A 950 " --> pdb=" O ALA A 946 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 945 through 950' Processing helix chain 'A' and resid 983 through 1002 removed outlier: 5.244A pdb=" N ARG A 987 " --> pdb=" O THR A 983 " (cutoff:3.500A) Processing helix chain 'A' and resid 1029 through 1050 removed outlier: 5.534A pdb=" N ARG A1033 " --> pdb=" O GLU A1029 " (cutoff:3.500A) removed outlier: 4.643A pdb=" N SER A1034 " --> pdb=" O ALA A1030 " (cutoff:3.500A) removed outlier: 3.805A pdb=" N SER A1038 " --> pdb=" O SER A1034 " (cutoff:3.500A) removed outlier: 4.446A pdb=" N LEU A1039 " --> pdb=" O ASN A1035 " (cutoff:3.500A) removed outlier: 3.762A pdb=" N CYS A1040 " --> pdb=" O ARG A1036 " (cutoff:3.500A) removed outlier: 3.916A pdb=" N GLN A1041 " --> pdb=" O ASP A1037 " (cutoff:3.500A) removed outlier: 3.923A pdb=" N ALA A1042 " --> pdb=" O SER A1038 " (cutoff:3.500A) removed outlier: 3.888A pdb=" N GLY A1050 " --> pdb=" O LEU A1046 " (cutoff:3.500A) Processing helix chain 'A' and resid 1574 through 1581 Processing helix chain 'A' and resid 1649 through 1657 removed outlier: 4.069A pdb=" N LEU A1653 " --> pdb=" O ASP A1649 " (cutoff:3.500A) removed outlier: 4.972A pdb=" N SER A1654 " --> pdb=" O ILE A1650 " (cutoff:3.500A) removed outlier: 5.974A pdb=" N GLU A1655 " --> pdb=" O LEU A1651 " (cutoff:3.500A) removed outlier: 4.294A pdb=" N ARG A1656 " --> pdb=" O GLU A1652 " (cutoff:3.500A) removed outlier: 4.203A pdb=" N LEU A1657 " --> pdb=" O LEU A1653 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 1649 through 1657' Processing helix chain 'A' and resid 1658 through 1675 Processing helix chain 'A' and resid 1679 through 1690 removed outlier: 3.907A pdb=" N ALA A1684 " --> pdb=" O ARG A1680 " (cutoff:3.500A) removed outlier: 3.717A pdb=" N SER A1687 " --> pdb=" O HIS A1683 " (cutoff:3.500A) Processing helix chain 'A' and resid 1692 through 1701 removed outlier: 4.484A pdb=" N GLU A1699 " --> pdb=" O LEU A1695 " (cutoff:3.500A) removed outlier: 4.223A pdb=" N ASP A1700 " --> pdb=" O HIS A1696 " (cutoff:3.500A) removed outlier: 5.881A pdb=" N ALA A1701 " --> pdb=" O ALA A1697 " (cutoff:3.500A) Processing helix chain 'A' and resid 1704 through 1720 removed outlier: 7.151A pdb=" N ARG A1708 " --> pdb=" O PRO A1704 " (cutoff:3.500A) removed outlier: 3.925A pdb=" N ALA A1709 " --> pdb=" O GLY A1705 " (cutoff:3.500A) removed outlier: 3.793A pdb=" N ILE A1718 " --> pdb=" O LEU A1714 " (cutoff:3.500A) removed outlier: 4.300A pdb=" N HIS A1719 " --> pdb=" O LEU A1715 " (cutoff:3.500A) Processing helix chain 'A' and resid 1723 through 1731 removed outlier: 4.161A pdb=" N SER A1729 " --> pdb=" O ARG A1725 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N MET A1730 " --> pdb=" O SER A1726 " (cutoff:3.500A) Processing helix chain 'A' and resid 1739 through 1745 removed outlier: 3.624A pdb=" N ARG A1743 " --> pdb=" O THR A1739 " (cutoff:3.500A) removed outlier: 4.164A pdb=" N ALA A1744 " --> pdb=" O PRO A1740 " (cutoff:3.500A) removed outlier: 4.903A pdb=" N ILE A1745 " --> pdb=" O GLU A1741 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 1739 through 1745' Processing helix chain 'A' and resid 1754 through 1759 removed outlier: 4.358A pdb=" N ARG A1758 " --> pdb=" O GLY A1754 " (cutoff:3.500A) removed outlier: 4.390A pdb=" N ARG A1759 " --> pdb=" O GLY A1755 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 1754 through 1759' Processing helix chain 'A' and resid 1803 through 1825 removed outlier: 3.707A pdb=" N ASP A1809 " --> pdb=" O GLU A1805 " (cutoff:3.500A) removed outlier: 3.660A pdb=" N GLN A1824 " --> pdb=" O ARG A1820 " (cutoff:3.500A) removed outlier: 4.178A pdb=" N HIS A1825 " --> pdb=" O ASP A1821 " (cutoff:3.500A) Processing helix chain 'A' and resid 1833 through 1852 removed outlier: 4.024A pdb=" N GLN A1837 " --> pdb=" O SER A1833 " (cutoff:3.500A) removed outlier: 4.474A pdb=" N PHE A1838 " --> pdb=" O VAL A1834 " (cutoff:3.500A) removed outlier: 4.890A pdb=" N VAL A1839 " --> pdb=" O GLU A1835 " (cutoff:3.500A) Proline residue: A1840 - end of helix removed outlier: 4.663A pdb=" N LYS A1843 " --> pdb=" O VAL A1839 " (cutoff:3.500A) removed outlier: 3.730A pdb=" N VAL A1845 " --> pdb=" O VAL A1841 " (cutoff:3.500A) removed outlier: 3.902A pdb=" N MET A1851 " --> pdb=" O THR A1847 " (cutoff:3.500A) removed outlier: 3.960A pdb=" N GLY A1852 " --> pdb=" O LEU A1848 " (cutoff:3.500A) Processing helix chain 'A' and resid 1855 through 1865 removed outlier: 4.707A pdb=" N VAL A1859 " --> pdb=" O GLY A1855 " (cutoff:3.500A) removed outlier: 4.659A pdb=" N MET A1865 " --> pdb=" O GLN A1861 " (cutoff:3.500A) Processing helix chain 'A' and resid 1866 through 1871 Processing helix chain 'A' and resid 1925 through 1930 removed outlier: 4.560A pdb=" N MET A1929 " --> pdb=" O GLY A1925 " (cutoff:3.500A) removed outlier: 5.338A pdb=" N LYS A1930 " --> pdb=" O LEU A1926 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 1925 through 1930' Processing helix chain 'A' and resid 1934 through 1984 removed outlier: 3.618A pdb=" N TYR A1945 " --> pdb=" O ASN A1941 " (cutoff:3.500A) removed outlier: 3.663A pdb=" N PHE A1946 " --> pdb=" O LEU A1942 " (cutoff:3.500A) removed outlier: 3.926A pdb=" N ARG A1964 " --> pdb=" O ALA A1960 " (cutoff:3.500A) removed outlier: 3.530A pdb=" N TYR A1965 " --> pdb=" O PHE A1961 " (cutoff:3.500A) removed outlier: 4.787A pdb=" N PHE A1984 " --> pdb=" O LEU A1980 " (cutoff:3.500A) Processing helix chain 'A' and resid 1989 through 1997 removed outlier: 4.453A pdb=" N ARG A1993 " --> pdb=" O ALA A1989 " (cutoff:3.500A) removed outlier: 5.042A pdb=" N GLU A1997 " --> pdb=" O ARG A1993 " (cutoff:3.500A) Processing helix chain 'A' and resid 2001 through 2013 removed outlier: 3.794A pdb=" N GLN A2005 " --> pdb=" O PRO A2001 " (cutoff:3.500A) removed outlier: 5.212A pdb=" N ASN A2007 " --> pdb=" O GLN A2003 " (cutoff:3.500A) removed outlier: 4.533A pdb=" N MET A2008 " --> pdb=" O GLU A2004 " (cutoff:3.500A) removed outlier: 4.338A pdb=" N LEU A2009 " --> pdb=" O GLN A2005 " (cutoff:3.500A) removed outlier: 4.833A pdb=" N LEU A2010 " --> pdb=" O ILE A2006 " (cutoff:3.500A) removed outlier: 3.858A pdb=" N HIS A2011 " --> pdb=" O ASN A2007 " (cutoff:3.500A) removed outlier: 4.783A pdb=" N PHE A2012 " --> pdb=" O MET A2008 " (cutoff:3.500A) removed outlier: 4.709A pdb=" N LYS A2013 " --> pdb=" O LEU A2009 " (cutoff:3.500A) Processing helix chain 'A' and resid 2024 through 2043 removed outlier: 4.806A pdb=" N ARG A2028 " --> pdb=" O PRO A2024 " (cutoff:3.500A) removed outlier: 5.168A pdb=" N GLN A2029 " --> pdb=" O GLU A2025 " (cutoff:3.500A) removed outlier: 4.659A pdb=" N ASP A2030 " --> pdb=" O ASP A2026 " (cutoff:3.500A) removed outlier: 3.966A pdb=" N LEU A2031 " --> pdb=" O ILE A2027 " (cutoff:3.500A) removed outlier: 3.509A pdb=" N GLN A2032 " --> pdb=" O ARG A2028 " (cutoff:3.500A) removed outlier: 4.718A pdb=" N GLY A2043 " --> pdb=" O LEU A2039 " (cutoff:3.500A) Processing helix chain 'A' and resid 2093 through 2108 removed outlier: 3.840A pdb=" N TRP A2105 " --> pdb=" O MET A2101 " (cutoff:3.500A) removed outlier: 4.007A pdb=" N ALA A2106 " --> pdb=" O VAL A2102 " (cutoff:3.500A) Processing helix chain 'A' and resid 2113 through 2130 removed outlier: 4.421A pdb=" N GLY A2130 " --> pdb=" O ARG A2126 " (cutoff:3.500A) Processing helix chain 'A' and resid 2131 through 2141 Proline residue: A2139 - end of helix Processing helix chain 'A' and resid 2148 through 2168 removed outlier: 4.284A pdb=" N SER A2154 " --> pdb=" O GLU A2150 " (cutoff:3.500A) removed outlier: 3.988A pdb=" N LEU A2155 " --> pdb=" O ASP A2151 " (cutoff:3.500A) removed outlier: 4.004A pdb=" N ILE A2167 " --> pdb=" O ARG A2163 " (cutoff:3.500A) removed outlier: 4.874A pdb=" N VAL A2168 " --> pdb=" O SER A2164 " (cutoff:3.500A) Processing helix chain 'A' and resid 2171 through 2188 removed outlier: 4.437A pdb=" N LEU A2177 " --> pdb=" O GLN A2173 " (cutoff:3.500A) removed outlier: 3.688A pdb=" N ILE A2179 " --> pdb=" O GLU A2175 " (cutoff:3.500A) removed outlier: 4.372A pdb=" N GLN A2180 " --> pdb=" O ASN A2176 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N ILE A2185 " --> pdb=" O SER A2181 " (cutoff:3.500A) removed outlier: 4.112A pdb=" N MET A2186 " --> pdb=" O ILE A2182 " (cutoff:3.500A) removed outlier: 4.789A pdb=" N ASN A2187 " --> pdb=" O GLY A2183 " (cutoff:3.500A) removed outlier: 5.093A pdb=" N ASN A2188 " --> pdb=" O ASN A2184 " (cutoff:3.500A) Processing helix chain 'A' and resid 2189 through 2195 removed outlier: 4.618A pdb=" N GLN A2193 " --> pdb=" O LYS A2189 " (cutoff:3.500A) Proline residue: A2195 - end of helix Processing helix chain 'A' and resid 2196 through 2202 removed outlier: 4.117A pdb=" N ALA A2200 " --> pdb=" O ASN A2196 " (cutoff:3.500A) Processing helix chain 'A' and resid 2203 through 2216 removed outlier: 3.645A pdb=" N VAL A2210 " --> pdb=" O THR A2206 " (cutoff:3.500A) Processing helix chain 'A' and resid 2227 through 2244 removed outlier: 3.750A pdb=" N SER A2243 " --> pdb=" O PHE A2239 " (cutoff:3.500A) removed outlier: 5.037A pdb=" N ARG A2244 " --> pdb=" O CYS A2240 " (cutoff:3.500A) Processing helix chain 'A' and resid 2245 through 2252 removed outlier: 4.847A pdb=" N ASP A2252 " --> pdb=" O ARG A2248 " (cutoff:3.500A) Processing helix chain 'A' and resid 2253 through 2265 removed outlier: 3.699A pdb=" N ASN A2260 " --> pdb=" O TYR A2256 " (cutoff:3.500A) removed outlier: 3.531A pdb=" N GLY A2262 " --> pdb=" O LEU A2258 " (cutoff:3.500A) removed outlier: 4.604A pdb=" N ILE A2263 " --> pdb=" O GLU A2259 " (cutoff:3.500A) removed outlier: 5.089A pdb=" N LEU A2265 " --> pdb=" O SER A2261 " (cutoff:3.500A) Processing helix chain 'A' and resid 2271 through 2280 removed outlier: 3.641A pdb=" N VAL A2275 " --> pdb=" O THR A2271 " (cutoff:3.500A) removed outlier: 4.683A pdb=" N VAL A2280 " --> pdb=" O ALA A2276 " (cutoff:3.500A) Processing helix chain 'A' and resid 2294 through 2309 removed outlier: 3.828A pdb=" N VAL A2299 " --> pdb=" O LEU A2295 " (cutoff:3.500A) removed outlier: 3.600A pdb=" N LEU A2302 " --> pdb=" O VAL A2298 " (cutoff:3.500A) removed outlier: 4.992A pdb=" N SER A2309 " --> pdb=" O CYS A2305 " (cutoff:3.500A) Processing helix chain 'A' and resid 2310 through 2315 removed outlier: 3.882A pdb=" N ALA A2315 " --> pdb=" O PRO A2311 " (cutoff:3.500A) Processing helix chain 'A' and resid 2324 through 2341 removed outlier: 4.770A pdb=" N LEU A2332 " --> pdb=" O GLY A2328 " (cutoff:3.500A) removed outlier: 5.604A pdb=" N ASP A2333 " --> pdb=" O GLU A2329 " (cutoff:3.500A) removed outlier: 6.517A pdb=" N PHE A2334 " --> pdb=" O ARG A2330 " (cutoff:3.500A) removed outlier: 6.823A pdb=" N LEU A2335 " --> pdb=" O TYR A2331 " (cutoff:3.500A) removed outlier: 3.706A pdb=" N ALA A2338 " --> pdb=" O PHE A2334 " (cutoff:3.500A) removed outlier: 4.978A pdb=" N VAL A2339 " --> pdb=" O LEU A2335 " (cutoff:3.500A) removed outlier: 4.910A pdb=" N PHE A2340 " --> pdb=" O ARG A2336 " (cutoff:3.500A) removed outlier: 6.252A pdb=" N VAL A2341 " --> pdb=" O PHE A2337 " (cutoff:3.500A) Processing helix chain 'A' and resid 2346 through 2360 removed outlier: 4.160A pdb=" N ALA A2350 " --> pdb=" O VAL A2346 " (cutoff:3.500A) removed outlier: 3.923A pdb=" N ILE A2358 " --> pdb=" O VAL A2354 " (cutoff:3.500A) removed outlier: 4.198A pdb=" N ARG A2359 " --> pdb=" O ARG A2355 " (cutoff:3.500A) removed outlier: 4.488A pdb=" N LYS A2360 " --> pdb=" O LEU A2356 " (cutoff:3.500A) Processing helix chain 'A' and resid 2365 through 2371 removed outlier: 5.439A pdb=" N GLU A2371 " --> pdb=" O ALA A2367 " (cutoff:3.500A) Processing helix chain 'A' and resid 2375 through 2390 Proline residue: A2390 - end of helix Processing helix chain 'A' and resid 2417 through 2437 removed outlier: 4.174A pdb=" N ALA A2437 " --> pdb=" O LEU A2433 " (cutoff:3.500A) Processing helix chain 'A' and resid 2440 through 2448 removed outlier: 4.653A pdb=" N GLY A2448 " --> pdb=" O GLN A2444 " (cutoff:3.500A) Processing helix chain 'A' and resid 2449 through 2462 removed outlier: 3.771A pdb=" N ILE A2453 " --> pdb=" O GLU A2449 " (cutoff:3.500A) Proline residue: A2462 - end of helix Processing helix chain 'A' and resid 2464 through 2472 removed outlier: 5.215A pdb=" N GLY A2468 " --> pdb=" O ASP A2464 " (cutoff:3.500A) removed outlier: 3.897A pdb=" N ILE A2469 " --> pdb=" O ASP A2465 " (cutoff:3.500A) removed outlier: 4.270A pdb=" N LEU A2472 " --> pdb=" O GLY A2468 " (cutoff:3.500A) Processing helix chain 'A' and resid 2751 through 2772 removed outlier: 5.084A pdb=" N ILE A2755 " --> pdb=" O LEU A2751 " (cutoff:3.500A) removed outlier: 4.458A pdb=" N ASN A2756 " --> pdb=" O ASP A2752 " (cutoff:3.500A) removed outlier: 4.660A pdb=" N PHE A2758 " --> pdb=" O PHE A2754 " (cutoff:3.500A) removed outlier: 5.454A pdb=" N ALA A2759 " --> pdb=" O ILE A2755 " (cutoff:3.500A) removed outlier: 5.008A pdb=" N GLU A2760 " --> pdb=" O ASN A2756 " (cutoff:3.500A) removed outlier: 6.624A pdb=" N TYR A2761 " --> pdb=" O LYS A2757 " (cutoff:3.500A) removed outlier: 4.745A pdb=" N THR A2762 " --> pdb=" O PHE A2758 " (cutoff:3.500A) removed outlier: 4.143A pdb=" N HIS A2763 " --> pdb=" O ALA A2759 " (cutoff:3.500A) removed outlier: 4.734A pdb=" N GLU A2764 " --> pdb=" O GLU A2760 " (cutoff:3.500A) removed outlier: 3.606A pdb=" N LYS A2765 " --> pdb=" O TYR A2761 " (cutoff:3.500A) removed outlier: 3.839A pdb=" N ALA A2767 " --> pdb=" O HIS A2763 " (cutoff:3.500A) removed outlier: 4.069A pdb=" N PHE A2768 " --> pdb=" O GLU A2764 " (cutoff:3.500A) removed outlier: 4.761A pdb=" N GLN A2772 " --> pdb=" O PHE A2768 " (cutoff:3.500A) Processing helix chain 'A' and resid 2809 through 2816 removed outlier: 4.803A pdb=" N LYS A2814 " --> pdb=" O LYS A2810 " (cutoff:3.500A) removed outlier: 4.454A pdb=" N ALA A2815 " --> pdb=" O GLU A2811 " (cutoff:3.500A) Processing helix chain 'A' and resid 2870 through 2896 removed outlier: 4.074A pdb=" N GLU A2876 " --> pdb=" O GLN A2872 " (cutoff:3.500A) removed outlier: 3.831A pdb=" N ALA A2879 " --> pdb=" O ALA A2875 " (cutoff:3.500A) removed outlier: 4.560A pdb=" N GLU A2880 " --> pdb=" O GLU A2876 " (cutoff:3.500A) removed outlier: 3.697A pdb=" N ASN A2881 " --> pdb=" O GLN A2877 " (cutoff:3.500A) removed outlier: 4.802A pdb=" N TYR A2882 " --> pdb=" O LEU A2878 " (cutoff:3.500A) removed outlier: 5.992A pdb=" N HIS A2883 " --> pdb=" O ALA A2879 " (cutoff:3.500A) removed outlier: 4.591A pdb=" N ASN A2884 " --> pdb=" O GLU A2880 " (cutoff:3.500A) removed outlier: 4.492A pdb=" N THR A2885 " --> pdb=" O ASN A2881 " (cutoff:3.500A) removed outlier: 4.052A pdb=" N GLY A2887 " --> pdb=" O HIS A2883 " (cutoff:3.500A) removed outlier: 4.409A pdb=" N ARG A2888 " --> pdb=" O ASN A2884 " (cutoff:3.500A) removed outlier: 3.963A pdb=" N LYS A2889 " --> pdb=" O THR A2885 " (cutoff:3.500A) removed outlier: 4.791A pdb=" N LYS A2890 " --> pdb=" O TRP A2886 " (cutoff:3.500A) removed outlier: 3.636A pdb=" N GLU A2895 " --> pdb=" O LYS A2891 " (cutoff:3.500A) removed outlier: 3.652A pdb=" N ALA A2896 " --> pdb=" O GLN A2892 " (cutoff:3.500A) Processing helix chain 'A' and resid 2919 through 2932 removed outlier: 6.117A pdb=" N ALA A2923 " --> pdb=" O ASP A2919 " (cutoff:3.500A) removed outlier: 4.154A pdb=" N GLN A2924 " --> pdb=" O ARG A2920 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N LEU A2927 " --> pdb=" O ALA A2923 " (cutoff:3.500A) removed outlier: 3.773A pdb=" N LYS A2928 " --> pdb=" O GLN A2924 " (cutoff:3.500A) removed outlier: 4.734A pdb=" N PHE A2929 " --> pdb=" O GLU A2925 " (cutoff:3.500A) removed outlier: 5.388A pdb=" N LEU A2930 " --> pdb=" O LEU A2926 " (cutoff:3.500A) removed outlier: 3.791A pdb=" N GLN A2931 " --> pdb=" O LEU A2927 " (cutoff:3.500A) removed outlier: 4.987A pdb=" N MET A2932 " --> pdb=" O LYS A2928 " (cutoff:3.500A) Processing helix chain 'A' and resid 3645 through 3656 removed outlier: 4.006A pdb=" N ASN A3651 " --> pdb=" O HIS A3647 " (cutoff:3.500A) removed outlier: 4.225A pdb=" N MET A3652 " --> pdb=" O ARG A3648 " (cutoff:3.500A) removed outlier: 5.432A pdb=" N PHE A3653 " --> pdb=" O ALA A3649 " (cutoff:3.500A) removed outlier: 6.160A pdb=" N LEU A3654 " --> pdb=" O CYS A3650 " (cutoff:3.500A) removed outlier: 4.718A pdb=" N GLU A3655 " --> pdb=" O ASN A3651 " (cutoff:3.500A) removed outlier: 4.873A pdb=" N SER A3656 " --> pdb=" O MET A3652 " (cutoff:3.500A) Processing helix chain 'A' and resid 3669 through 3681 removed outlier: 4.118A pdb=" N MET A3673 " --> pdb=" O PHE A3669 " (cutoff:3.500A) removed outlier: 3.733A pdb=" N ILE A3674 " --> pdb=" O GLU A3670 " (cutoff:3.500A) removed outlier: 4.495A pdb=" N GLY A3681 " --> pdb=" O LEU A3677 " (cutoff:3.500A) Processing helix chain 'A' and resid 3683 through 3688 removed outlier: 4.160A pdb=" N GLU A3688 " --> pdb=" O GLU A3684 " (cutoff:3.500A) Processing helix chain 'A' and resid 3696 through 3711 removed outlier: 4.171A pdb=" N THR A3711 " --> pdb=" O ARG A3707 " (cutoff:3.500A) Processing helix chain 'A' and resid 3719 through 3738 removed outlier: 4.007A pdb=" N ASP A3727 " --> pdb=" O MET A3723 " (cutoff:3.500A) removed outlier: 4.183A pdb=" N ILE A3728 " --> pdb=" O ALA A3724 " (cutoff:3.500A) Processing helix chain 'A' and resid 3754 through 3770 removed outlier: 5.088A pdb=" N MET A3758 " --> pdb=" O GLU A3754 " (cutoff:3.500A) removed outlier: 4.336A pdb=" N GLU A3759 " --> pdb=" O GLU A3755 " (cutoff:3.500A) removed outlier: 3.538A pdb=" N LYS A3760 " --> pdb=" O LYS A3756 " (cutoff:3.500A) removed outlier: 4.146A pdb=" N ARG A3762 " --> pdb=" O MET A3758 " (cutoff:3.500A) removed outlier: 3.910A pdb=" N LEU A3770 " --> pdb=" O GLN A3766 " (cutoff:3.500A) Processing helix chain 'A' and resid 3771 through 3785 removed outlier: 4.131A pdb=" N GLU A3777 " --> pdb=" O ARG A3773 " (cutoff:3.500A) removed outlier: 3.897A pdb=" N VAL A3779 " --> pdb=" O ALA A3775 " (cutoff:3.500A) removed outlier: 5.258A pdb=" N LEU A3780 " --> pdb=" O ALA A3776 " (cutoff:3.500A) removed outlier: 4.169A pdb=" N GLN A3781 " --> pdb=" O GLU A3777 " (cutoff:3.500A) removed outlier: 4.791A pdb=" N ALA A3785 " --> pdb=" O GLN A3781 " (cutoff:3.500A) Processing helix chain 'A' and resid 3791 through 3806 removed outlier: 3.539A pdb=" N LEU A3805 " --> pdb=" O GLY A3801 " (cutoff:3.500A) removed outlier: 4.530A pdb=" N ASN A3806 " --> pdb=" O ILE A3802 " (cutoff:3.500A) Processing helix chain 'A' and resid 3809 through 3824 removed outlier: 4.047A pdb=" N LYS A3824 " --> pdb=" O LEU A3820 " (cutoff:3.500A) Processing helix chain 'A' and resid 3827 through 3839 removed outlier: 4.684A pdb=" N CYS A3839 " --> pdb=" O LEU A3835 " (cutoff:3.500A) Processing helix chain 'A' and resid 3843 through 3857 Processing helix chain 'A' and resid 3861 through 3866 removed outlier: 6.925A pdb=" N VAL A3865 " --> pdb=" O GLU A3861 " (cutoff:3.500A) removed outlier: 6.896A pdb=" N ILE A3866 " --> pdb=" O ASP A3862 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 3861 through 3866' Processing helix chain 'A' and resid 3877 through 3894 removed outlier: 4.256A pdb=" N GLY A3894 " --> pdb=" O LEU A3890 " (cutoff:3.500A) Processing helix chain 'A' and resid 3897 through 3906 removed outlier: 5.879A pdb=" N ASN A3901 " --> pdb=" O ASN A3897 " (cutoff:3.500A) Processing helix chain 'A' and resid 3914 through 3939 removed outlier: 3.770A pdb=" N CYS A3918 " --> pdb=" O ASN A3914 " (cutoff:3.500A) removed outlier: 4.472A pdb=" N GLY A3939 " --> pdb=" O TRP A3935 " (cutoff:3.500A) Processing helix chain 'A' and resid 3944 through 3970 removed outlier: 3.924A pdb=" N GLU A3967 " --> pdb=" O ASN A3963 " (cutoff:3.500A) removed outlier: 4.373A pdb=" N TYR A3968 " --> pdb=" O SER A3964 " (cutoff:3.500A) removed outlier: 3.985A pdb=" N ILE A3969 " --> pdb=" O LEU A3965 " (cutoff:3.500A) Processing helix chain 'A' and resid 3973 through 3984 removed outlier: 4.284A pdb=" N GLN A3977 " --> pdb=" O CYS A3973 " (cutoff:3.500A) removed outlier: 3.998A pdb=" N GLN A3978 " --> pdb=" O THR A3974 " (cutoff:3.500A) removed outlier: 5.469A pdb=" N ARG A3984 " --> pdb=" O LEU A3980 " (cutoff:3.500A) Processing helix chain 'A' and resid 3985 through 4005 removed outlier: 3.664A pdb=" N HIS A3998 " --> pdb=" O HIS A3994 " (cutoff:3.500A) removed outlier: 3.751A pdb=" N MET A4000 " --> pdb=" O PHE A3996 " (cutoff:3.500A) removed outlier: 4.331A pdb=" N MET A4001 " --> pdb=" O ALA A3997 " (cutoff:3.500A) removed outlier: 4.453A pdb=" N ALA A4004 " --> pdb=" O MET A4000 " (cutoff:3.500A) removed outlier: 5.041A pdb=" N GLN A4005 " --> pdb=" O MET A4001 " (cutoff:3.500A) Processing helix chain 'A' and resid 4009 through 4032 removed outlier: 4.950A pdb=" N LEU A4019 " --> pdb=" O GLU A4015 " (cutoff:3.500A) removed outlier: 4.740A pdb=" N GLN A4020 " --> pdb=" O LEU A4016 " (cutoff:3.500A) removed outlier: 4.600A pdb=" N LYS A4021 " --> pdb=" O LEU A4017 " (cutoff:3.500A) removed outlier: 4.434A pdb=" N ASP A4022 " --> pdb=" O ASP A4018 " (cutoff:3.500A) removed outlier: 3.943A pdb=" N LEU A4031 " --> pdb=" O LEU A4027 " (cutoff:3.500A) Processing helix chain 'A' and resid 4039 through 4056 removed outlier: 5.926A pdb=" N GLN A4043 " --> pdb=" O MET A4039 " (cutoff:3.500A) removed outlier: 3.616A pdb=" N LEU A4048 " --> pdb=" O MET A4044 " (cutoff:3.500A) removed outlier: 5.061A pdb=" N SER A4053 " --> pdb=" O VAL A4049 " (cutoff:3.500A) removed outlier: 6.266A pdb=" N ASN A4054 " --> pdb=" O GLU A4050 " (cutoff:3.500A) removed outlier: 3.888A pdb=" N VAL A4055 " --> pdb=" O SER A4051 " (cutoff:3.500A) removed outlier: 4.380A pdb=" N GLU A4056 " --> pdb=" O SER A4052 " (cutoff:3.500A) Processing helix chain 'A' and resid 4057 through 4074 removed outlier: 5.378A pdb=" N LEU A4066 " --> pdb=" O PHE A4062 " (cutoff:3.500A) removed outlier: 4.507A pdb=" N LYS A4067 " --> pdb=" O ASP A4063 " (cutoff:3.500A) removed outlier: 5.483A pdb=" N LYS A4069 " --> pdb=" O PHE A4065 " (cutoff:3.500A) removed outlier: 5.417A pdb=" N ASP A4070 " --> pdb=" O LEU A4066 " (cutoff:3.500A) removed outlier: 5.394A pdb=" N ILE A4071 " --> pdb=" O LYS A4067 " (cutoff:3.500A) removed outlier: 4.881A pdb=" N VAL A4072 " --> pdb=" O LEU A4068 " (cutoff:3.500A) Processing helix chain 'A' and resid 4075 through 4081 removed outlier: 3.804A pdb=" N ASP A4079 " --> pdb=" O GLU A4075 " (cutoff:3.500A) removed outlier: 5.465A pdb=" N TYR A4080 " --> pdb=" O ALA A4076 " (cutoff:3.500A) removed outlier: 4.536A pdb=" N VAL A4081 " --> pdb=" O PHE A4077 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 4075 through 4081' Processing helix chain 'A' and resid 4089 through 4101 removed outlier: 5.227A pdb=" N LYS A4101 " --> pdb=" O MET A4097 " (cutoff:3.500A) Processing helix chain 'A' and resid 4106 through 4116 removed outlier: 3.760A pdb=" N PHE A4110 " --> pdb=" O PRO A4106 " (cutoff:3.500A) removed outlier: 5.120A pdb=" N GLU A4116 " --> pdb=" O LEU A4112 " (cutoff:3.500A) Processing helix chain 'A' and resid 4124 through 4137 removed outlier: 3.895A pdb=" N PHE A4132 " --> pdb=" O PHE A4128 " (cutoff:3.500A) removed outlier: 3.519A pdb=" N GLN A4133 " --> pdb=" O ALA A4129 " (cutoff:3.500A) removed outlier: 4.646A pdb=" N GLU A4134 " --> pdb=" O ASN A4130 " (cutoff:3.500A) Proline residue: A4135 - end of helix Processing helix chain 'A' and resid 4138 through 4155 Proline residue: A4155 - end of helix Processing helix chain 'A' and resid 4157 through 4168 removed outlier: 4.561A pdb=" N GLU A4165 " --> pdb=" O ARG A4161 " (cutoff:3.500A) removed outlier: 4.952A pdb=" N LEU A4166 " --> pdb=" O ASN A4162 " (cutoff:3.500A) removed outlier: 4.376A pdb=" N ALA A4167 " --> pdb=" O PHE A4163 " (cutoff:3.500A) removed outlier: 4.954A pdb=" N GLU A4168 " --> pdb=" O LEU A4164 " (cutoff:3.500A) Processing helix chain 'A' and resid 4169 through 4175 removed outlier: 3.823A pdb=" N ARG A4175 " --> pdb=" O LEU A4171 " (cutoff:3.500A) Processing helix chain 'A' and resid 4198 through 4207 removed outlier: 3.812A pdb=" N GLU A4206 " --> pdb=" O ARG A4202 " (cutoff:3.500A) removed outlier: 5.261A pdb=" N MET A4207 " --> pdb=" O ALA A4203 " (cutoff:3.500A) Processing helix chain 'A' and resid 4208 through 4225 removed outlier: 4.619A pdb=" N SER A4213 " --> pdb=" O GLN A4209 " (cutoff:3.500A) removed outlier: 4.227A pdb=" N LYS A4214 " --> pdb=" O VAL A4210 " (cutoff:3.500A) removed outlier: 3.523A pdb=" N ASP A4220 " --> pdb=" O GLN A4216 " (cutoff:3.500A) removed outlier: 4.472A pdb=" N GLU A4224 " --> pdb=" O ASP A4220 " (cutoff:3.500A) removed outlier: 4.026A pdb=" N GLY A4225 " --> pdb=" O VAL A4221 " (cutoff:3.500A) Processing helix chain 'A' and resid 4227 through 4252 removed outlier: 4.432A pdb=" N MET A4231 " --> pdb=" O GLU A4227 " (cutoff:3.500A) removed outlier: 4.303A pdb=" N GLU A4232 " --> pdb=" O ALA A4228 " (cutoff:3.500A) removed outlier: 3.715A pdb=" N ALA A4249 " --> pdb=" O MET A4245 " (cutoff:3.500A) removed outlier: 4.416A pdb=" N GLN A4250 " --> pdb=" O GLN A4246 " (cutoff:3.500A) removed outlier: 4.425A pdb=" N ILE A4251 " --> pdb=" O ILE A4247 " (cutoff:3.500A) Processing helix chain 'A' and resid 4541 through 4556 removed outlier: 5.068A pdb=" N GLU A4545 " --> pdb=" O TRP A4541 " (cutoff:3.500A) removed outlier: 4.714A pdb=" N VAL A4546 " --> pdb=" O GLY A4542 " (cutoff:3.500A) removed outlier: 4.169A pdb=" N TYR A4554 " --> pdb=" O LYS A4550 " (cutoff:3.500A) removed outlier: 3.895A pdb=" N LEU A4555 " --> pdb=" O PHE A4551 " (cutoff:3.500A) Processing helix chain 'A' and resid 4558 through 4578 removed outlier: 4.071A pdb=" N LEU A4562 " --> pdb=" O ASN A4558 " (cutoff:3.500A) removed outlier: 4.069A pdb=" N PHE A4571 " --> pdb=" O LEU A4567 " (cutoff:3.500A) removed outlier: 4.387A pdb=" N ALA A4572 " --> pdb=" O PHE A4568 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N ILE A4573 " --> pdb=" O LEU A4569 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ASN A4574 " --> pdb=" O ALA A4570 " (cutoff:3.500A) removed outlier: 3.854A pdb=" N LEU A4577 " --> pdb=" O ILE A4573 " (cutoff:3.500A) removed outlier: 5.114A pdb=" N LEU A4578 " --> pdb=" O ASN A4574 " (cutoff:3.500A) Processing helix chain 'A' and resid 4643 through 4684 removed outlier: 4.462A pdb=" N SER A4647 " --> pdb=" O LEU A4643 " (cutoff:3.500A) removed outlier: 4.487A pdb=" N LEU A4648 " --> pdb=" O TRP A4644 " (cutoff:3.500A) removed outlier: 5.923A pdb=" N LEU A4649 " --> pdb=" O CYS A4645 " (cutoff:3.500A) removed outlier: 5.303A pdb=" N HIS A4650 " --> pdb=" O LEU A4646 " (cutoff:3.500A) removed outlier: 4.443A pdb=" N THR A4651 " --> pdb=" O SER A4647 " (cutoff:3.500A) removed outlier: 3.525A pdb=" N LEU A4652 " --> pdb=" O LEU A4648 " (cutoff:3.500A) removed outlier: 4.151A pdb=" N LYS A4665 " --> pdb=" O TYR A4661 " (cutoff:3.500A) removed outlier: 4.858A pdb=" N VAL A4666 " --> pdb=" O ASN A4662 " (cutoff:3.500A) Proline residue: A4667 - end of helix removed outlier: 4.798A pdb=" N GLU A4676 " --> pdb=" O LYS A4672 " (cutoff:3.500A) removed outlier: 4.776A pdb=" N LEU A4677 " --> pdb=" O ARG A4673 " (cutoff:3.500A) removed outlier: 3.687A pdb=" N ALA A4678 " --> pdb=" O GLU A4674 " (cutoff:3.500A) Processing helix chain 'A' and resid 4685 through 4690 removed outlier: 5.306A pdb=" N THR A4689 " --> pdb=" O GLY A4685 " (cutoff:3.500A) removed outlier: 4.622A pdb=" N GLU A4690 " --> pdb=" O LEU A4686 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 4685 through 4690' Processing helix chain 'A' and resid 4696 through 4701 Processing helix chain 'A' and resid 4719 through 4733 removed outlier: 3.528A pdb=" N LYS A4723 " --> pdb=" O PHE A4719 " (cutoff:3.500A) removed outlier: 3.625A pdb=" N LEU A4725 " --> pdb=" O LYS A4721 " (cutoff:3.500A) removed outlier: 4.105A pdb=" N ASP A4726 " --> pdb=" O ARG A4722 " (cutoff:3.500A) removed outlier: 4.776A pdb=" N LYS A4727 " --> pdb=" O LYS A4723 " (cutoff:3.500A) removed outlier: 3.567A pdb=" N HIS A4728 " --> pdb=" O VAL A4724 " (cutoff:3.500A) removed outlier: 4.302A pdb=" N ASP A4730 " --> pdb=" O ASP A4726 " (cutoff:3.500A) removed outlier: 6.357A pdb=" N ILE A4731 " --> pdb=" O LYS A4727 " (cutoff:3.500A) removed outlier: 4.625A pdb=" N PHE A4732 " --> pdb=" O HIS A4728 " (cutoff:3.500A) removed outlier: 4.478A pdb=" N GLY A4733 " --> pdb=" O GLY A4729 " (cutoff:3.500A) Processing helix chain 'A' and resid 4734 through 4742 removed outlier: 4.370A pdb=" N LEU A4740 " --> pdb=" O ARG A4736 " (cutoff:3.500A) removed outlier: 4.357A pdb=" N LEU A4741 " --> pdb=" O ILE A4737 " (cutoff:3.500A) Processing helix chain 'A' and resid 4745 through 4753 removed outlier: 4.319A pdb=" N THR A4751 " --> pdb=" O SER A4747 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N ALA A4752 " --> pdb=" O LEU A4748 " (cutoff:3.500A) Processing helix chain 'A' and resid 4765 through 4771 removed outlier: 5.453A pdb=" N MET A4769 " --> pdb=" O LEU A4765 " (cutoff:3.500A) removed outlier: 4.951A pdb=" N SER A4770 " --> pdb=" O THR A4766 " (cutoff:3.500A) removed outlier: 4.696A pdb=" N ILE A4771 " --> pdb=" O TRP A4767 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 4765 through 4771' Processing helix chain 'A' and resid 4772 through 4786 removed outlier: 3.608A pdb=" N VAL A4782 " --> pdb=" O TRP A4778 " (cutoff:3.500A) removed outlier: 3.907A pdb=" N ILE A4783 " --> pdb=" O LYS A4779 " (cutoff:3.500A) removed outlier: 4.410A pdb=" N PHE A4784 " --> pdb=" O PHE A4780 " (cutoff:3.500A) removed outlier: 4.544A pdb=" N THR A4785 " --> pdb=" O GLY A4781 " (cutoff:3.500A) removed outlier: 4.127A pdb=" N ASP A4786 " --> pdb=" O VAL A4782 " (cutoff:3.500A) Processing helix chain 'A' and resid 4787 through 4804 removed outlier: 4.757A pdb=" N TYR A4804 " --> pdb=" O LEU A4800 " (cutoff:3.500A) Processing helix chain 'A' and resid 4809 through 4819 removed outlier: 4.803A pdb=" N LEU A4813 " --> pdb=" O PHE A4809 " (cutoff:3.500A) removed outlier: 4.548A pdb=" N LEU A4814 " --> pdb=" O ALA A4810 " (cutoff:3.500A) removed outlier: 4.767A pdb=" N GLY A4819 " --> pdb=" O ASP A4815 " (cutoff:3.500A) Processing helix chain 'A' and resid 4820 through 4827 removed outlier: 4.320A pdb=" N ILE A4826 " --> pdb=" O THR A4822 " (cutoff:3.500A) Processing helix chain 'A' and resid 4828 through 4834 removed outlier: 4.104A pdb=" N HIS A4832 " --> pdb=" O SER A4828 " (cutoff:3.500A) removed outlier: 3.707A pdb=" N ASN A4833 " --> pdb=" O SER A4829 " (cutoff:3.500A) removed outlier: 4.303A pdb=" N GLY A4834 " --> pdb=" O VAL A4830 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 4828 through 4834' Processing helix chain 'A' and resid 4835 through 4859 removed outlier: 4.549A pdb=" N MET A4839 " --> pdb=" O LYS A4835 " (cutoff:3.500A) removed outlier: 4.508A pdb=" N THR A4840 " --> pdb=" O GLN A4836 " (cutoff:3.500A) removed outlier: 4.501A pdb=" N GLY A4842 " --> pdb=" O VAL A4838 " (cutoff:3.500A) removed outlier: 4.923A pdb=" N LEU A4843 " --> pdb=" O MET A4839 " (cutoff:3.500A) removed outlier: 4.152A pdb=" N LEU A4844 " --> pdb=" O THR A4840 " (cutoff:3.500A) removed outlier: 3.690A pdb=" N ASN A4857 " --> pdb=" O VAL A4853 " (cutoff:3.500A) removed outlier: 3.710A pdb=" N PHE A4858 " --> pdb=" O VAL A4854 " (cutoff:3.500A) Processing helix chain 'A' and resid 4878 through 4893 removed outlier: 4.688A pdb=" N VAL A4891 " --> pdb=" O MET A4887 " (cutoff:3.500A) removed outlier: 4.510A pdb=" N ARG A4892 " --> pdb=" O TYR A4888 " (cutoff:3.500A) Processing helix chain 'A' and resid 4897 through 4902 removed outlier: 5.105A pdb=" N GLU A4902 " --> pdb=" O GLY A4898 " (cutoff:3.500A) Processing helix chain 'A' and resid 4909 through 4925 removed outlier: 3.620A pdb=" N VAL A4914 " --> pdb=" O GLU A4910 " (cutoff:3.500A) removed outlier: 4.763A pdb=" N VAL A4915 " --> pdb=" O LEU A4911 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N ILE A4918 " --> pdb=" O VAL A4914 " (cutoff:3.500A) Processing helix chain 'A' and resid 4928 through 4953 removed outlier: 4.061A pdb=" N ILE A4932 " --> pdb=" O LEU A4928 " (cutoff:3.500A) removed outlier: 3.655A pdb=" N ASP A4938 " --> pdb=" O GLY A4934 " (cutoff:3.500A) removed outlier: 3.626A pdb=" N LEU A4943 " --> pdb=" O ALA A4939 " (cutoff:3.500A) removed outlier: 3.702A pdb=" N ARG A4944 " --> pdb=" O PHE A4940 " (cutoff:3.500A) removed outlier: 3.716A pdb=" N GLU A4952 " --> pdb=" O GLU A4948 " (cutoff:3.500A) Processing helix chain 'A' and resid 4964 through 4972 removed outlier: 3.863A pdb=" N PHE A4968 " --> pdb=" O GLY A4964 " (cutoff:3.500A) removed outlier: 4.169A pdb=" N THR A4970 " --> pdb=" O ASP A4966 " (cutoff:3.500A) removed outlier: 4.831A pdb=" N THR A4971 " --> pdb=" O TYR A4967 " (cutoff:3.500A) Proline residue: A4972 - end of helix Processing helix chain 'A' and resid 4973 through 4981 removed outlier: 3.975A pdb=" N LEU A4980 " --> pdb=" O GLU A4976 " (cutoff:3.500A) removed outlier: 4.564A pdb=" N GLU A4981 " --> pdb=" O THR A4977 " (cutoff:3.500A) Processing helix chain 'A' and resid 4986 through 4999 removed outlier: 4.588A pdb=" N PHE A4990 " --> pdb=" O ALA A4986 " (cutoff:3.500A) removed outlier: 5.604A pdb=" N ASP A4999 " --> pdb=" O LEU A4995 " (cutoff:3.500A) Processing helix chain 'A' and resid 5004 through 5017 Processing helix chain 'A' and resid 5028 through 5033 removed outlier: 5.272A pdb=" N TYR A5032 " --> pdb=" O PHE A5028 " (cutoff:3.500A) removed outlier: 4.194A pdb=" N GLU A5033 " --> pdb=" O ARG A5029 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 5028 through 5033' Processing helix chain 'A' and resid 956 through 961 removed outlier: 4.374A pdb=" N MET A 960 " --> pdb=" O LYS A 957 " (cutoff:3.500A) removed outlier: 4.826A pdb=" N MET A 961 " --> pdb=" O THR A 958 " (cutoff:3.500A) Processing helix chain 'A' and resid 2285 through 2290 removed outlier: 4.385A pdb=" N LEU A2288 " --> pdb=" O GLU A2285 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ALA A2289 " --> pdb=" O LEU A2286 " (cutoff:3.500A) removed outlier: 4.811A pdb=" N LEU A2290 " --> pdb=" O ALA A2287 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 2285 through 2290' Processing helix chain 'A' and resid 4703 through 4708 removed outlier: 4.031A pdb=" N LEU A4706 " --> pdb=" O ARG A4703 " (cutoff:3.500A) removed outlier: 4.341A pdb=" N ASN A4707 " --> pdb=" O LEU A4704 " (cutoff:3.500A) Processing helix chain 'A' and resid 4709 through 4715 Proline residue: A4712 - end of helix Processing helix chain 'B' and resid 61 through 66 removed outlier: 4.641A pdb=" N CYS B 65 " --> pdb=" O ASP B 61 " (cutoff:3.500A) removed outlier: 3.988A pdb=" N CYS B 66 " --> pdb=" O LEU B 62 " (cutoff:3.500A) No H-bonds generated for 'chain 'B' and resid 61 through 66' Processing helix chain 'B' and resid 74 through 84 Processing helix chain 'B' and resid 250 through 256 removed outlier: 6.184A pdb=" N THR B 254 " --> pdb=" O GLY B 250 " (cutoff:3.500A) removed outlier: 5.269A pdb=" N HIS B 255 " --> pdb=" O ALA B 251 " (cutoff:3.500A) removed outlier: 5.138A pdb=" N ALA B 256 " --> pdb=" O VAL B 252 " (cutoff:3.500A) No H-bonds generated for 'chain 'B' and resid 250 through 256' Processing helix chain 'B' and resid 364 through 371 removed outlier: 3.957A pdb=" N VAL B 371 " --> pdb=" O LEU B 367 " (cutoff:3.500A) Processing helix chain 'B' and resid 396 through 425 removed outlier: 4.394A pdb=" N GLN B 413 " --> pdb=" O GLY B 409 " (cutoff:3.500A) removed outlier: 3.761A pdb=" N PHE B 414 " --> pdb=" O LEU B 410 " (cutoff:3.500A) removed outlier: 3.812A pdb=" N PHE B 421 " --> pdb=" O GLY B 417 " (cutoff:3.500A) removed outlier: 4.444A pdb=" N GLY B 423 " --> pdb=" O ASP B 419 " (cutoff:3.500A) removed outlier: 4.559A pdb=" N LYS B 424 " --> pdb=" O SER B 420 " (cutoff:3.500A) Proline residue: B 425 - end of helix Processing helix chain 'B' and resid 437 through 453 removed outlier: 4.803A pdb=" N VAL B 441 " --> pdb=" O PRO B 437 " (cutoff:3.500A) removed outlier: 3.629A pdb=" N GLN B 446 " --> pdb=" O ILE B 442 " (cutoff:3.500A) removed outlier: 3.890A pdb=" N PHE B 452 " --> pdb=" O LEU B 448 " (cutoff:3.500A) removed outlier: 5.729A pdb=" N GLU B 453 " --> pdb=" O ILE B 449 " (cutoff:3.500A) Processing helix chain 'B' and resid 461 through 481 removed outlier: 3.666A pdb=" N ARG B 469 " --> pdb=" O GLN B 465 " (cutoff:3.500A) removed outlier: 4.183A pdb=" N GLU B 480 " --> pdb=" O SER B 476 " (cutoff:3.500A) removed outlier: 5.057A pdb=" N GLU B 481 " --> pdb=" O LEU B 477 " (cutoff:3.500A) Processing helix chain 'B' and resid 484 through 496 removed outlier: 3.948A pdb=" N CYS B 490 " --> pdb=" O LEU B 486 " (cutoff:3.500A) removed outlier: 4.683A pdb=" N VAL B 496 " --> pdb=" O ASP B 492 " (cutoff:3.500A) Processing helix chain 'B' and resid 510 through 531 removed outlier: 5.212A pdb=" N SER B 514 " --> pdb=" O GLU B 510 " (cutoff:3.500A) removed outlier: 4.246A pdb=" N TRP B 515 " --> pdb=" O ALA B 511 " (cutoff:3.500A) removed outlier: 4.981A pdb=" N LYS B 516 " --> pdb=" O ALA B 512 " (cutoff:3.500A) removed outlier: 5.341A pdb=" N GLU B 517 " --> pdb=" O GLU B 513 " (cutoff:3.500A) removed outlier: 4.642A pdb=" N ILE B 518 " --> pdb=" O SER B 514 " (cutoff:3.500A) Processing helix chain 'B' and resid 533 through 540 removed outlier: 4.645A pdb=" N CYS B 537 " --> pdb=" O ASN B 533 " (cutoff:3.500A) removed outlier: 3.911A pdb=" N LEU B 539 " --> pdb=" O ALA B 535 " (cutoff:3.500A) removed outlier: 5.257A pdb=" N PHE B 540 " --> pdb=" O ASN B 536 " (cutoff:3.500A) Processing helix chain 'B' and resid 541 through 551 removed outlier: 4.634A pdb=" N ASP B 545 " --> pdb=" O SER B 541 " (cutoff:3.500A) removed outlier: 4.617A pdb=" N TRP B 546 " --> pdb=" O THR B 542 " (cutoff:3.500A) removed outlier: 3.774A pdb=" N VAL B 548 " --> pdb=" O LEU B 544 " (cutoff:3.500A) removed outlier: 4.600A pdb=" N LEU B 551 " --> pdb=" O VAL B 547 " (cutoff:3.500A) Processing helix chain 'B' and resid 555 through 571 removed outlier: 4.102A pdb=" N LEU B 561 " --> pdb=" O SER B 557 " (cutoff:3.500A) removed outlier: 6.080A pdb=" N GLU B 562 " --> pdb=" O SER B 558 " (cutoff:3.500A) removed outlier: 4.964A pdb=" N VAL B 563 " --> pdb=" O GLY B 559 " (cutoff:3.500A) Processing helix chain 'B' and resid 573 through 578 removed outlier: 4.344A pdb=" N ILE B 577 " --> pdb=" O GLU B 573 " (cutoff:3.500A) removed outlier: 4.414A pdb=" N ILE B 578 " --> pdb=" O VAL B 574 " (cutoff:3.500A) No H-bonds generated for 'chain 'B' and resid 573 through 578' Processing helix chain 'B' and resid 579 through 594 removed outlier: 6.092A pdb=" N ILE B 583 " --> pdb=" O GLN B 579 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N LEU B 590 " --> pdb=" O ILE B 586 " (cutoff:3.500A) removed outlier: 3.980A pdb=" N ASP B 591 " --> pdb=" O ILE B 587 " (cutoff:3.500A) Processing helix chain 'B' and resid 598 through 609 removed outlier: 4.224A pdb=" N VAL B 602 " --> pdb=" O LYS B 598 " (cutoff:3.500A) removed outlier: 4.377A pdb=" N LEU B 603 " --> pdb=" O VAL B 599 " (cutoff:3.500A) removed outlier: 3.685A pdb=" N CYS B 607 " --> pdb=" O LEU B 603 " (cutoff:3.500A) removed outlier: 4.495A pdb=" N VAL B 608 " --> pdb=" O CYS B 604 " (cutoff:3.500A) removed outlier: 4.549A pdb=" N CYS B 609 " --> pdb=" O SER B 605 " (cutoff:3.500A) Processing helix chain 'B' and resid 614 through 626 removed outlier: 4.328A pdb=" N GLN B 618 " --> pdb=" O VAL B 614 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N THR B 622 " --> pdb=" O GLN B 618 " (cutoff:3.500A) removed outlier: 5.402A pdb=" N LEU B 626 " --> pdb=" O THR B 622 " (cutoff:3.500A) Processing helix chain 'B' and resid 865 through 890 removed outlier: 4.745A pdb=" N ARG B 869 " --> pdb=" O PRO B 865 " (cutoff:3.500A) removed outlier: 3.967A pdb=" N ILE B 870 " --> pdb=" O HIS B 866 " (cutoff:3.500A) removed outlier: 4.020A pdb=" N GLU B 876 " --> pdb=" O GLU B 872 " (cutoff:3.500A) removed outlier: 3.716A pdb=" N ASN B 877 " --> pdb=" O LYS B 873 " (cutoff:3.500A) Processing helix chain 'B' and resid 914 through 936 removed outlier: 4.022A pdb=" N TYR B 920 " --> pdb=" O PRO B 916 " (cutoff:3.500A) removed outlier: 4.694A pdb=" N GLY B 936 " --> pdb=" O LEU B 932 " (cutoff:3.500A) Processing helix chain 'B' and resid 945 through 950 removed outlier: 4.509A pdb=" N ASN B 949 " --> pdb=" O LYS B 945 " (cutoff:3.500A) removed outlier: 4.064A pdb=" N LEU B 950 " --> pdb=" O ALA B 946 " (cutoff:3.500A) No H-bonds generated for 'chain 'B' and resid 945 through 950' Processing helix chain 'B' and resid 983 through 1002 removed outlier: 5.244A pdb=" N ARG B 987 " --> pdb=" O THR B 983 " (cutoff:3.500A) Processing helix chain 'B' and resid 1029 through 1050 removed outlier: 5.534A pdb=" N ARG B1033 " --> pdb=" O GLU B1029 " (cutoff:3.500A) removed outlier: 4.643A pdb=" N SER B1034 " --> pdb=" O ALA B1030 " (cutoff:3.500A) removed outlier: 3.805A pdb=" N SER B1038 " --> pdb=" O SER B1034 " (cutoff:3.500A) removed outlier: 4.444A pdb=" N LEU B1039 " --> pdb=" O ASN B1035 " (cutoff:3.500A) removed outlier: 3.762A pdb=" N CYS B1040 " --> pdb=" O ARG B1036 " (cutoff:3.500A) removed outlier: 3.916A pdb=" N GLN B1041 " --> pdb=" O ASP B1037 " (cutoff:3.500A) removed outlier: 3.923A pdb=" N ALA B1042 " --> pdb=" O SER B1038 " (cutoff:3.500A) removed outlier: 3.888A pdb=" N GLY B1050 " --> pdb=" O LEU B1046 " (cutoff:3.500A) Processing helix chain 'B' and resid 1574 through 1581 Processing helix chain 'B' and resid 1649 through 1657 removed outlier: 4.069A pdb=" N LEU B1653 " --> pdb=" O ASP B1649 " (cutoff:3.500A) removed outlier: 4.972A pdb=" N SER B1654 " --> pdb=" O ILE B1650 " (cutoff:3.500A) removed outlier: 5.972A pdb=" N GLU B1655 " --> pdb=" O LEU B1651 " (cutoff:3.500A) removed outlier: 4.293A pdb=" N ARG B1656 " --> pdb=" O GLU B1652 " (cutoff:3.500A) removed outlier: 4.204A pdb=" N LEU B1657 " --> pdb=" O LEU B1653 " (cutoff:3.500A) No H-bonds generated for 'chain 'B' and resid 1649 through 1657' Processing helix chain 'B' and resid 1658 through 1675 Processing helix chain 'B' and resid 1679 through 1690 removed outlier: 3.907A pdb=" N ALA B1684 " --> pdb=" O ARG B1680 " (cutoff:3.500A) removed outlier: 3.717A pdb=" N SER B1687 " --> pdb=" O HIS B1683 " (cutoff:3.500A) Processing helix chain 'B' and resid 1692 through 1701 removed outlier: 4.484A pdb=" N GLU B1699 " --> pdb=" O LEU B1695 " (cutoff:3.500A) removed outlier: 4.222A pdb=" N ASP B1700 " --> pdb=" O HIS B1696 " (cutoff:3.500A) removed outlier: 5.881A pdb=" N ALA B1701 " --> pdb=" O ALA B1697 " (cutoff:3.500A) Processing helix chain 'B' and resid 1704 through 1720 removed outlier: 7.151A pdb=" N ARG B1708 " --> pdb=" O PRO B1704 " (cutoff:3.500A) removed outlier: 3.926A pdb=" N ALA B1709 " --> pdb=" O GLY B1705 " (cutoff:3.500A) removed outlier: 3.794A pdb=" N ILE B1718 " --> pdb=" O LEU B1714 " (cutoff:3.500A) removed outlier: 4.300A pdb=" N HIS B1719 " --> pdb=" O LEU B1715 " (cutoff:3.500A) Processing helix chain 'B' and resid 1723 through 1731 removed outlier: 4.161A pdb=" N SER B1729 " --> pdb=" O ARG B1725 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N MET B1730 " --> pdb=" O SER B1726 " (cutoff:3.500A) Processing helix chain 'B' and resid 1739 through 1745 removed outlier: 3.624A pdb=" N ARG B1743 " --> pdb=" O THR B1739 " (cutoff:3.500A) removed outlier: 4.163A pdb=" N ALA B1744 " --> pdb=" O PRO B1740 " (cutoff:3.500A) removed outlier: 4.903A pdb=" N ILE B1745 " --> pdb=" O GLU B1741 " (cutoff:3.500A) No H-bonds generated for 'chain 'B' and resid 1739 through 1745' Processing helix chain 'B' and resid 1754 through 1759 removed outlier: 4.358A pdb=" N ARG B1758 " --> pdb=" O GLY B1754 " (cutoff:3.500A) removed outlier: 4.390A pdb=" N ARG B1759 " --> pdb=" O GLY B1755 " (cutoff:3.500A) No H-bonds generated for 'chain 'B' and resid 1754 through 1759' Processing helix chain 'B' and resid 1803 through 1825 removed outlier: 3.707A pdb=" N ASP B1809 " --> pdb=" O GLU B1805 " (cutoff:3.500A) removed outlier: 3.660A pdb=" N GLN B1824 " --> pdb=" O ARG B1820 " (cutoff:3.500A) removed outlier: 4.178A pdb=" N HIS B1825 " --> pdb=" O ASP B1821 " (cutoff:3.500A) Processing helix chain 'B' and resid 1833 through 1852 removed outlier: 4.023A pdb=" N GLN B1837 " --> pdb=" O SER B1833 " (cutoff:3.500A) removed outlier: 4.474A pdb=" N PHE B1838 " --> pdb=" O VAL B1834 " (cutoff:3.500A) removed outlier: 4.890A pdb=" N VAL B1839 " --> pdb=" O GLU B1835 " (cutoff:3.500A) Proline residue: B1840 - end of helix removed outlier: 4.663A pdb=" N LYS B1843 " --> pdb=" O VAL B1839 " (cutoff:3.500A) removed outlier: 3.729A pdb=" N VAL B1845 " --> pdb=" O VAL B1841 " (cutoff:3.500A) removed outlier: 3.903A pdb=" N MET B1851 " --> pdb=" O THR B1847 " (cutoff:3.500A) removed outlier: 3.959A pdb=" N GLY B1852 " --> pdb=" O LEU B1848 " (cutoff:3.500A) Processing helix chain 'B' and resid 1855 through 1865 removed outlier: 4.707A pdb=" N VAL B1859 " --> pdb=" O GLY B1855 " (cutoff:3.500A) removed outlier: 4.659A pdb=" N MET B1865 " --> pdb=" O GLN B1861 " (cutoff:3.500A) Processing helix chain 'B' and resid 1866 through 1871 Processing helix chain 'B' and resid 1925 through 1930 removed outlier: 4.560A pdb=" N MET B1929 " --> pdb=" O GLY B1925 " (cutoff:3.500A) removed outlier: 5.339A pdb=" N LYS B1930 " --> pdb=" O LEU B1926 " (cutoff:3.500A) No H-bonds generated for 'chain 'B' and resid 1925 through 1930' Processing helix chain 'B' and resid 1934 through 1984 removed outlier: 3.617A pdb=" N TYR B1945 " --> pdb=" O ASN B1941 " (cutoff:3.500A) removed outlier: 3.663A pdb=" N PHE B1946 " --> pdb=" O LEU B1942 " (cutoff:3.500A) removed outlier: 3.926A pdb=" N ARG B1964 " --> pdb=" O ALA B1960 " (cutoff:3.500A) removed outlier: 3.530A pdb=" N TYR B1965 " --> pdb=" O PHE B1961 " (cutoff:3.500A) removed outlier: 4.787A pdb=" N PHE B1984 " --> pdb=" O LEU B1980 " (cutoff:3.500A) Processing helix chain 'B' and resid 1989 through 1997 removed outlier: 4.453A pdb=" N ARG B1993 " --> pdb=" O ALA B1989 " (cutoff:3.500A) removed outlier: 5.042A pdb=" N GLU B1997 " --> pdb=" O ARG B1993 " (cutoff:3.500A) Processing helix chain 'B' and resid 2001 through 2013 removed outlier: 3.795A pdb=" N GLN B2005 " --> pdb=" O PRO B2001 " (cutoff:3.500A) removed outlier: 5.212A pdb=" N ASN B2007 " --> pdb=" O GLN B2003 " (cutoff:3.500A) removed outlier: 4.534A pdb=" N MET B2008 " --> pdb=" O GLU B2004 " (cutoff:3.500A) removed outlier: 4.338A pdb=" N LEU B2009 " --> pdb=" O GLN B2005 " (cutoff:3.500A) removed outlier: 4.832A pdb=" N LEU B2010 " --> pdb=" O ILE B2006 " (cutoff:3.500A) removed outlier: 3.858A pdb=" N HIS B2011 " --> pdb=" O ASN B2007 " (cutoff:3.500A) removed outlier: 4.783A pdb=" N PHE B2012 " --> pdb=" O MET B2008 " (cutoff:3.500A) removed outlier: 4.709A pdb=" N LYS B2013 " --> pdb=" O LEU B2009 " (cutoff:3.500A) Processing helix chain 'B' and resid 2024 through 2043 removed outlier: 4.807A pdb=" N ARG B2028 " --> pdb=" O PRO B2024 " (cutoff:3.500A) removed outlier: 5.168A pdb=" N GLN B2029 " --> pdb=" O GLU B2025 " (cutoff:3.500A) removed outlier: 4.659A pdb=" N ASP B2030 " --> pdb=" O ASP B2026 " (cutoff:3.500A) removed outlier: 3.965A pdb=" N LEU B2031 " --> pdb=" O ILE B2027 " (cutoff:3.500A) removed outlier: 3.509A pdb=" N GLN B2032 " --> pdb=" O ARG B2028 " (cutoff:3.500A) removed outlier: 4.719A pdb=" N GLY B2043 " --> pdb=" O LEU B2039 " (cutoff:3.500A) Processing helix chain 'B' and resid 2093 through 2108 removed outlier: 3.841A pdb=" N TRP B2105 " --> pdb=" O MET B2101 " (cutoff:3.500A) removed outlier: 4.008A pdb=" N ALA B2106 " --> pdb=" O VAL B2102 " (cutoff:3.500A) Processing helix chain 'B' and resid 2113 through 2130 removed outlier: 4.420A pdb=" N GLY B2130 " --> pdb=" O ARG B2126 " (cutoff:3.500A) Processing helix chain 'B' and resid 2131 through 2141 Proline residue: B2139 - end of helix Processing helix chain 'B' and resid 2148 through 2168 removed outlier: 4.283A pdb=" N SER B2154 " --> pdb=" O GLU B2150 " (cutoff:3.500A) removed outlier: 3.988A pdb=" N LEU B2155 " --> pdb=" O ASP B2151 " (cutoff:3.500A) removed outlier: 4.004A pdb=" N ILE B2167 " --> pdb=" O ARG B2163 " (cutoff:3.500A) removed outlier: 4.875A pdb=" N VAL B2168 " --> pdb=" O SER B2164 " (cutoff:3.500A) Processing helix chain 'B' and resid 2171 through 2188 removed outlier: 4.438A pdb=" N LEU B2177 " --> pdb=" O GLN B2173 " (cutoff:3.500A) removed outlier: 3.687A pdb=" N ILE B2179 " --> pdb=" O GLU B2175 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N GLN B2180 " --> pdb=" O ASN B2176 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N ILE B2185 " --> pdb=" O SER B2181 " (cutoff:3.500A) removed outlier: 4.111A pdb=" N MET B2186 " --> pdb=" O ILE B2182 " (cutoff:3.500A) removed outlier: 4.788A pdb=" N ASN B2187 " --> pdb=" O GLY B2183 " (cutoff:3.500A) removed outlier: 5.092A pdb=" N ASN B2188 " --> pdb=" O ASN B2184 " (cutoff:3.500A) Processing helix chain 'B' and resid 2189 through 2195 removed outlier: 4.618A pdb=" N GLN B2193 " --> pdb=" O LYS B2189 " (cutoff:3.500A) Proline residue: B2195 - end of helix Processing helix chain 'B' and resid 2196 through 2202 removed outlier: 4.115A pdb=" N ALA B2200 " --> pdb=" O ASN B2196 " (cutoff:3.500A) Processing helix chain 'B' and resid 2203 through 2216 removed outlier: 3.645A pdb=" N VAL B2210 " --> pdb=" O THR B2206 " (cutoff:3.500A) Processing helix chain 'B' and resid 2227 through 2244 removed outlier: 3.750A pdb=" N SER B2243 " --> pdb=" O PHE B2239 " (cutoff:3.500A) removed outlier: 5.038A pdb=" N ARG B2244 " --> pdb=" O CYS B2240 " (cutoff:3.500A) Processing helix chain 'B' and resid 2245 through 2252 removed outlier: 4.848A pdb=" N ASP B2252 " --> pdb=" O ARG B2248 " (cutoff:3.500A) Processing helix chain 'B' and resid 2253 through 2265 removed outlier: 3.699A pdb=" N ASN B2260 " --> pdb=" O TYR B2256 " (cutoff:3.500A) removed outlier: 3.531A pdb=" N GLY B2262 " --> pdb=" O LEU B2258 " (cutoff:3.500A) removed outlier: 4.604A pdb=" N ILE B2263 " --> pdb=" O GLU B2259 " (cutoff:3.500A) removed outlier: 5.089A pdb=" N LEU B2265 " --> pdb=" O SER B2261 " (cutoff:3.500A) Processing helix chain 'B' and resid 2271 through 2280 removed outlier: 3.641A pdb=" N VAL B2275 " --> pdb=" O THR B2271 " (cutoff:3.500A) removed outlier: 4.683A pdb=" N VAL B2280 " --> pdb=" O ALA B2276 " (cutoff:3.500A) Processing helix chain 'B' and resid 2294 through 2309 removed outlier: 3.828A pdb=" N VAL B2299 " --> pdb=" O LEU B2295 " (cutoff:3.500A) removed outlier: 3.599A pdb=" N LEU B2302 " --> pdb=" O VAL B2298 " (cutoff:3.500A) removed outlier: 4.992A pdb=" N SER B2309 " --> pdb=" O CYS B2305 " (cutoff:3.500A) Processing helix chain 'B' and resid 2310 through 2315 removed outlier: 3.881A pdb=" N ALA B2315 " --> pdb=" O PRO B2311 " (cutoff:3.500A) Processing helix chain 'B' and resid 2324 through 2341 removed outlier: 4.770A pdb=" N LEU B2332 " --> pdb=" O GLY B2328 " (cutoff:3.500A) removed outlier: 5.604A pdb=" N ASP B2333 " --> pdb=" O GLU B2329 " (cutoff:3.500A) removed outlier: 6.516A pdb=" N PHE B2334 " --> pdb=" O ARG B2330 " (cutoff:3.500A) removed outlier: 6.822A pdb=" N LEU B2335 " --> pdb=" O TYR B2331 " (cutoff:3.500A) removed outlier: 3.706A pdb=" N ALA B2338 " --> pdb=" O PHE B2334 " (cutoff:3.500A) removed outlier: 4.978A pdb=" N VAL B2339 " --> pdb=" O LEU B2335 " (cutoff:3.500A) removed outlier: 4.910A pdb=" N PHE B2340 " --> pdb=" O ARG B2336 " (cutoff:3.500A) removed outlier: 6.252A pdb=" N VAL B2341 " --> pdb=" O PHE B2337 " (cutoff:3.500A) Processing helix chain 'B' and resid 2346 through 2360 removed outlier: 4.160A pdb=" N ALA B2350 " --> pdb=" O VAL B2346 " (cutoff:3.500A) removed outlier: 3.923A pdb=" N ILE B2358 " --> pdb=" O VAL B2354 " (cutoff:3.500A) removed outlier: 4.198A pdb=" N ARG B2359 " --> pdb=" O ARG B2355 " (cutoff:3.500A) removed outlier: 4.489A pdb=" N LYS B2360 " --> pdb=" O LEU B2356 " (cutoff:3.500A) Processing helix chain 'B' and resid 2365 through 2371 removed outlier: 5.439A pdb=" N GLU B2371 " --> pdb=" O ALA B2367 " (cutoff:3.500A) Processing helix chain 'B' and resid 2375 through 2390 Proline residue: B2390 - end of helix Processing helix chain 'B' and resid 2417 through 2437 removed outlier: 4.173A pdb=" N ALA B2437 " --> pdb=" O LEU B2433 " (cutoff:3.500A) Processing helix chain 'B' and resid 2440 through 2448 removed outlier: 4.654A pdb=" N GLY B2448 " --> pdb=" O GLN B2444 " (cutoff:3.500A) Processing helix chain 'B' and resid 2449 through 2462 removed outlier: 3.771A pdb=" N ILE B2453 " --> pdb=" O GLU B2449 " (cutoff:3.500A) Proline residue: B2462 - end of helix Processing helix chain 'B' and resid 2464 through 2472 removed outlier: 5.215A pdb=" N GLY B2468 " --> pdb=" O ASP B2464 " (cutoff:3.500A) removed outlier: 3.896A pdb=" N ILE B2469 " --> pdb=" O ASP B2465 " (cutoff:3.500A) removed outlier: 4.270A pdb=" N LEU B2472 " --> pdb=" O GLY B2468 " (cutoff:3.500A) Processing helix chain 'B' and resid 2751 through 2772 removed outlier: 5.085A pdb=" N ILE B2755 " --> pdb=" O LEU B2751 " (cutoff:3.500A) removed outlier: 4.458A pdb=" N ASN B2756 " --> pdb=" O ASP B2752 " (cutoff:3.500A) removed outlier: 4.660A pdb=" N PHE B2758 " --> pdb=" O PHE B2754 " (cutoff:3.500A) removed outlier: 5.454A pdb=" N ALA B2759 " --> pdb=" O ILE B2755 " (cutoff:3.500A) removed outlier: 5.008A pdb=" N GLU B2760 " --> pdb=" O ASN B2756 " (cutoff:3.500A) removed outlier: 6.623A pdb=" N TYR B2761 " --> pdb=" O LYS B2757 " (cutoff:3.500A) removed outlier: 4.744A pdb=" N THR B2762 " --> pdb=" O PHE B2758 " (cutoff:3.500A) removed outlier: 4.143A pdb=" N HIS B2763 " --> pdb=" O ALA B2759 " (cutoff:3.500A) removed outlier: 4.735A pdb=" N GLU B2764 " --> pdb=" O GLU B2760 " (cutoff:3.500A) removed outlier: 3.606A pdb=" N LYS B2765 " --> pdb=" O TYR B2761 " (cutoff:3.500A) removed outlier: 3.839A pdb=" N ALA B2767 " --> pdb=" O HIS B2763 " (cutoff:3.500A) removed outlier: 4.069A pdb=" N PHE B2768 " --> pdb=" O GLU B2764 " (cutoff:3.500A) removed outlier: 4.762A pdb=" N GLN B2772 " --> pdb=" O PHE B2768 " (cutoff:3.500A) Processing helix chain 'B' and resid 2809 through 2816 removed outlier: 4.804A pdb=" N LYS B2814 " --> pdb=" O LYS B2810 " (cutoff:3.500A) removed outlier: 4.454A pdb=" N ALA B2815 " --> pdb=" O GLU B2811 " (cutoff:3.500A) Processing helix chain 'B' and resid 2870 through 2896 removed outlier: 4.075A pdb=" N GLU B2876 " --> pdb=" O GLN B2872 " (cutoff:3.500A) removed outlier: 3.831A pdb=" N ALA B2879 " --> pdb=" O ALA B2875 " (cutoff:3.500A) removed outlier: 4.560A pdb=" N GLU B2880 " --> pdb=" O GLU B2876 " (cutoff:3.500A) removed outlier: 3.697A pdb=" N ASN B2881 " --> pdb=" O GLN B2877 " (cutoff:3.500A) removed outlier: 4.803A pdb=" N TYR B2882 " --> pdb=" O LEU B2878 " (cutoff:3.500A) removed outlier: 5.994A pdb=" N HIS B2883 " --> pdb=" O ALA B2879 " (cutoff:3.500A) removed outlier: 4.590A pdb=" N ASN B2884 " --> pdb=" O GLU B2880 " (cutoff:3.500A) removed outlier: 4.491A pdb=" N THR B2885 " --> pdb=" O ASN B2881 " (cutoff:3.500A) removed outlier: 4.051A pdb=" N GLY B2887 " --> pdb=" O HIS B2883 " (cutoff:3.500A) removed outlier: 4.409A pdb=" N ARG B2888 " --> pdb=" O ASN B2884 " (cutoff:3.500A) removed outlier: 3.964A pdb=" N LYS B2889 " --> pdb=" O THR B2885 " (cutoff:3.500A) removed outlier: 4.791A pdb=" N LYS B2890 " --> pdb=" O TRP B2886 " (cutoff:3.500A) removed outlier: 3.634A pdb=" N GLU B2895 " --> pdb=" O LYS B2891 " (cutoff:3.500A) removed outlier: 3.651A pdb=" N ALA B2896 " --> pdb=" O GLN B2892 " (cutoff:3.500A) Processing helix chain 'B' and resid 2919 through 2932 removed outlier: 6.118A pdb=" N ALA B2923 " --> pdb=" O ASP B2919 " (cutoff:3.500A) removed outlier: 4.154A pdb=" N GLN B2924 " --> pdb=" O ARG B2920 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N LEU B2927 " --> pdb=" O ALA B2923 " (cutoff:3.500A) removed outlier: 3.774A pdb=" N LYS B2928 " --> pdb=" O GLN B2924 " (cutoff:3.500A) removed outlier: 4.734A pdb=" N PHE B2929 " --> pdb=" O GLU B2925 " (cutoff:3.500A) removed outlier: 5.388A pdb=" N LEU B2930 " --> pdb=" O LEU B2926 " (cutoff:3.500A) removed outlier: 3.791A pdb=" N GLN B2931 " --> pdb=" O LEU B2927 " (cutoff:3.500A) removed outlier: 4.987A pdb=" N MET B2932 " --> pdb=" O LYS B2928 " (cutoff:3.500A) Processing helix chain 'B' and resid 3645 through 3656 removed outlier: 4.007A pdb=" N ASN B3651 " --> pdb=" O HIS B3647 " (cutoff:3.500A) removed outlier: 4.225A pdb=" N MET B3652 " --> pdb=" O ARG B3648 " (cutoff:3.500A) removed outlier: 5.432A pdb=" N PHE B3653 " --> pdb=" O ALA B3649 " (cutoff:3.500A) removed outlier: 6.161A pdb=" N LEU B3654 " --> pdb=" O CYS B3650 " (cutoff:3.500A) removed outlier: 4.719A pdb=" N GLU B3655 " --> pdb=" O ASN B3651 " (cutoff:3.500A) removed outlier: 4.872A pdb=" N SER B3656 " --> pdb=" O MET B3652 " (cutoff:3.500A) Processing helix chain 'B' and resid 3669 through 3681 removed outlier: 4.118A pdb=" N MET B3673 " --> pdb=" O PHE B3669 " (cutoff:3.500A) removed outlier: 3.733A pdb=" N ILE B3674 " --> pdb=" O GLU B3670 " (cutoff:3.500A) removed outlier: 4.495A pdb=" N GLY B3681 " --> pdb=" O LEU B3677 " (cutoff:3.500A) Processing helix chain 'B' and resid 3683 through 3688 removed outlier: 4.161A pdb=" N GLU B3688 " --> pdb=" O GLU B3684 " (cutoff:3.500A) Processing helix chain 'B' and resid 3696 through 3711 removed outlier: 4.171A pdb=" N THR B3711 " --> pdb=" O ARG B3707 " (cutoff:3.500A) Processing helix chain 'B' and resid 3719 through 3738 removed outlier: 4.006A pdb=" N ASP B3727 " --> pdb=" O MET B3723 " (cutoff:3.500A) removed outlier: 4.183A pdb=" N ILE B3728 " --> pdb=" O ALA B3724 " (cutoff:3.500A) Processing helix chain 'B' and resid 3754 through 3770 removed outlier: 5.089A pdb=" N MET B3758 " --> pdb=" O GLU B3754 " (cutoff:3.500A) removed outlier: 4.336A pdb=" N GLU B3759 " --> pdb=" O GLU B3755 " (cutoff:3.500A) removed outlier: 3.538A pdb=" N LYS B3760 " --> pdb=" O LYS B3756 " (cutoff:3.500A) removed outlier: 4.145A pdb=" N ARG B3762 " --> pdb=" O MET B3758 " (cutoff:3.500A) removed outlier: 3.911A pdb=" N LEU B3770 " --> pdb=" O GLN B3766 " (cutoff:3.500A) Processing helix chain 'B' and resid 3771 through 3785 removed outlier: 4.131A pdb=" N GLU B3777 " --> pdb=" O ARG B3773 " (cutoff:3.500A) removed outlier: 3.898A pdb=" N VAL B3779 " --> pdb=" O ALA B3775 " (cutoff:3.500A) removed outlier: 5.258A pdb=" N LEU B3780 " --> pdb=" O ALA B3776 " (cutoff:3.500A) removed outlier: 4.169A pdb=" N GLN B3781 " --> pdb=" O GLU B3777 " (cutoff:3.500A) removed outlier: 4.791A pdb=" N ALA B3785 " --> pdb=" O GLN B3781 " (cutoff:3.500A) Processing helix chain 'B' and resid 3791 through 3806 removed outlier: 3.540A pdb=" N LEU B3805 " --> pdb=" O GLY B3801 " (cutoff:3.500A) removed outlier: 4.531A pdb=" N ASN B3806 " --> pdb=" O ILE B3802 " (cutoff:3.500A) Processing helix chain 'B' and resid 3809 through 3824 removed outlier: 4.046A pdb=" N LYS B3824 " --> pdb=" O LEU B3820 " (cutoff:3.500A) Processing helix chain 'B' and resid 3827 through 3839 removed outlier: 4.684A pdb=" N CYS B3839 " --> pdb=" O LEU B3835 " (cutoff:3.500A) Processing helix chain 'B' and resid 3843 through 3857 Processing helix chain 'B' and resid 3861 through 3866 removed outlier: 6.924A pdb=" N VAL B3865 " --> pdb=" O GLU B3861 " (cutoff:3.500A) removed outlier: 6.897A pdb=" N ILE B3866 " --> pdb=" O ASP B3862 " (cutoff:3.500A) No H-bonds generated for 'chain 'B' and resid 3861 through 3866' Processing helix chain 'B' and resid 3877 through 3894 removed outlier: 4.256A pdb=" N GLY B3894 " --> pdb=" O LEU B3890 " (cutoff:3.500A) Processing helix chain 'B' and resid 3897 through 3906 removed outlier: 5.879A pdb=" N ASN B3901 " --> pdb=" O ASN B3897 " (cutoff:3.500A) Processing helix chain 'B' and resid 3914 through 3939 removed outlier: 3.771A pdb=" N CYS B3918 " --> pdb=" O ASN B3914 " (cutoff:3.500A) removed outlier: 4.471A pdb=" N GLY B3939 " --> pdb=" O TRP B3935 " (cutoff:3.500A) Processing helix chain 'B' and resid 3944 through 3970 removed outlier: 3.924A pdb=" N GLU B3967 " --> pdb=" O ASN B3963 " (cutoff:3.500A) removed outlier: 4.372A pdb=" N TYR B3968 " --> pdb=" O SER B3964 " (cutoff:3.500A) removed outlier: 3.986A pdb=" N ILE B3969 " --> pdb=" O LEU B3965 " (cutoff:3.500A) Processing helix chain 'B' and resid 3973 through 3984 removed outlier: 4.285A pdb=" N GLN B3977 " --> pdb=" O CYS B3973 " (cutoff:3.500A) removed outlier: 3.998A pdb=" N GLN B3978 " --> pdb=" O THR B3974 " (cutoff:3.500A) removed outlier: 5.470A pdb=" N ARG B3984 " --> pdb=" O LEU B3980 " (cutoff:3.500A) Processing helix chain 'B' and resid 3985 through 4005 removed outlier: 3.665A pdb=" N HIS B3998 " --> pdb=" O HIS B3994 " (cutoff:3.500A) removed outlier: 3.751A pdb=" N MET B4000 " --> pdb=" O PHE B3996 " (cutoff:3.500A) removed outlier: 4.330A pdb=" N MET B4001 " --> pdb=" O ALA B3997 " (cutoff:3.500A) removed outlier: 4.453A pdb=" N ALA B4004 " --> pdb=" O MET B4000 " (cutoff:3.500A) removed outlier: 5.039A pdb=" N GLN B4005 " --> pdb=" O MET B4001 " (cutoff:3.500A) Processing helix chain 'B' and resid 4009 through 4032 removed outlier: 4.949A pdb=" N LEU B4019 " --> pdb=" O GLU B4015 " (cutoff:3.500A) removed outlier: 4.740A pdb=" N GLN B4020 " --> pdb=" O LEU B4016 " (cutoff:3.500A) removed outlier: 4.600A pdb=" N LYS B4021 " --> pdb=" O LEU B4017 " (cutoff:3.500A) removed outlier: 4.434A pdb=" N ASP B4022 " --> pdb=" O ASP B4018 " (cutoff:3.500A) removed outlier: 3.943A pdb=" N LEU B4031 " --> pdb=" O LEU B4027 " (cutoff:3.500A) Processing helix chain 'B' and resid 4039 through 4056 removed outlier: 5.926A pdb=" N GLN B4043 " --> pdb=" O MET B4039 " (cutoff:3.500A) removed outlier: 3.616A pdb=" N LEU B4048 " --> pdb=" O MET B4044 " (cutoff:3.500A) removed outlier: 5.060A pdb=" N SER B4053 " --> pdb=" O VAL B4049 " (cutoff:3.500A) removed outlier: 6.266A pdb=" N ASN B4054 " --> pdb=" O GLU B4050 " (cutoff:3.500A) removed outlier: 3.888A pdb=" N VAL B4055 " --> pdb=" O SER B4051 " (cutoff:3.500A) removed outlier: 4.380A pdb=" N GLU B4056 " --> pdb=" O SER B4052 " (cutoff:3.500A) Processing helix chain 'B' and resid 4057 through 4074 removed outlier: 5.378A pdb=" N LEU B4066 " --> pdb=" O PHE B4062 " (cutoff:3.500A) removed outlier: 4.507A pdb=" N LYS B4067 " --> pdb=" O ASP B4063 " (cutoff:3.500A) removed outlier: 5.482A pdb=" N LYS B4069 " --> pdb=" O PHE B4065 " (cutoff:3.500A) removed outlier: 5.417A pdb=" N ASP B4070 " --> pdb=" O LEU B4066 " (cutoff:3.500A) removed outlier: 5.395A pdb=" N ILE B4071 " --> pdb=" O LYS B4067 " (cutoff:3.500A) removed outlier: 4.881A pdb=" N VAL B4072 " --> pdb=" O LEU B4068 " (cutoff:3.500A) Processing helix chain 'B' and resid 4075 through 4081 removed outlier: 3.804A pdb=" N ASP B4079 " --> pdb=" O GLU B4075 " (cutoff:3.500A) removed outlier: 5.465A pdb=" N TYR B4080 " --> pdb=" O ALA B4076 " (cutoff:3.500A) removed outlier: 4.537A pdb=" N VAL B4081 " --> pdb=" O PHE B4077 " (cutoff:3.500A) No H-bonds generated for 'chain 'B' and resid 4075 through 4081' Processing helix chain 'B' and resid 4089 through 4101 removed outlier: 5.227A pdb=" N LYS B4101 " --> pdb=" O MET B4097 " (cutoff:3.500A) Processing helix chain 'B' and resid 4106 through 4116 removed outlier: 3.760A pdb=" N PHE B4110 " --> pdb=" O PRO B4106 " (cutoff:3.500A) removed outlier: 5.120A pdb=" N GLU B4116 " --> pdb=" O LEU B4112 " (cutoff:3.500A) Processing helix chain 'B' and resid 4124 through 4137 removed outlier: 3.896A pdb=" N PHE B4132 " --> pdb=" O PHE B4128 " (cutoff:3.500A) removed outlier: 3.518A pdb=" N GLN B4133 " --> pdb=" O ALA B4129 " (cutoff:3.500A) removed outlier: 4.646A pdb=" N GLU B4134 " --> pdb=" O ASN B4130 " (cutoff:3.500A) Proline residue: B4135 - end of helix Processing helix chain 'B' and resid 4138 through 4155 Proline residue: B4155 - end of helix Processing helix chain 'B' and resid 4157 through 4168 removed outlier: 4.561A pdb=" N GLU B4165 " --> pdb=" O ARG B4161 " (cutoff:3.500A) removed outlier: 4.951A pdb=" N LEU B4166 " --> pdb=" O ASN B4162 " (cutoff:3.500A) removed outlier: 4.376A pdb=" N ALA B4167 " --> pdb=" O PHE B4163 " (cutoff:3.500A) removed outlier: 4.954A pdb=" N GLU B4168 " --> pdb=" O LEU B4164 " (cutoff:3.500A) Processing helix chain 'B' and resid 4169 through 4175 removed outlier: 3.823A pdb=" N ARG B4175 " --> pdb=" O LEU B4171 " (cutoff:3.500A) Processing helix chain 'B' and resid 4198 through 4207 removed outlier: 3.812A pdb=" N GLU B4206 " --> pdb=" O ARG B4202 " (cutoff:3.500A) removed outlier: 5.261A pdb=" N MET B4207 " --> pdb=" O ALA B4203 " (cutoff:3.500A) Processing helix chain 'B' and resid 4208 through 4225 removed outlier: 4.619A pdb=" N SER B4213 " --> pdb=" O GLN B4209 " (cutoff:3.500A) removed outlier: 4.227A pdb=" N LYS B4214 " --> pdb=" O VAL B4210 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N ASP B4220 " --> pdb=" O GLN B4216 " (cutoff:3.500A) removed outlier: 4.473A pdb=" N GLU B4224 " --> pdb=" O ASP B4220 " (cutoff:3.500A) removed outlier: 4.026A pdb=" N GLY B4225 " --> pdb=" O VAL B4221 " (cutoff:3.500A) Processing helix chain 'B' and resid 4227 through 4252 removed outlier: 4.433A pdb=" N MET B4231 " --> pdb=" O GLU B4227 " (cutoff:3.500A) removed outlier: 4.303A pdb=" N GLU B4232 " --> pdb=" O ALA B4228 " (cutoff:3.500A) removed outlier: 3.716A pdb=" N ALA B4249 " --> pdb=" O MET B4245 " (cutoff:3.500A) removed outlier: 4.418A pdb=" N GLN B4250 " --> pdb=" O GLN B4246 " (cutoff:3.500A) removed outlier: 4.425A pdb=" N ILE B4251 " --> pdb=" O ILE B4247 " (cutoff:3.500A) Processing helix chain 'B' and resid 4541 through 4556 removed outlier: 5.069A pdb=" N GLU B4545 " --> pdb=" O TRP B4541 " (cutoff:3.500A) removed outlier: 4.715A pdb=" N VAL B4546 " --> pdb=" O GLY B4542 " (cutoff:3.500A) removed outlier: 4.168A pdb=" N TYR B4554 " --> pdb=" O LYS B4550 " (cutoff:3.500A) removed outlier: 3.896A pdb=" N LEU B4555 " --> pdb=" O PHE B4551 " (cutoff:3.500A) Processing helix chain 'B' and resid 4558 through 4578 removed outlier: 4.072A pdb=" N LEU B4562 " --> pdb=" O ASN B4558 " (cutoff:3.500A) removed outlier: 4.068A pdb=" N PHE B4571 " --> pdb=" O LEU B4567 " (cutoff:3.500A) removed outlier: 4.388A pdb=" N ALA B4572 " --> pdb=" O PHE B4568 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N ILE B4573 " --> pdb=" O LEU B4569 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ASN B4574 " --> pdb=" O ALA B4570 " (cutoff:3.500A) removed outlier: 3.854A pdb=" N LEU B4577 " --> pdb=" O ILE B4573 " (cutoff:3.500A) removed outlier: 5.114A pdb=" N LEU B4578 " --> pdb=" O ASN B4574 " (cutoff:3.500A) Processing helix chain 'B' and resid 4643 through 4684 removed outlier: 4.461A pdb=" N SER B4647 " --> pdb=" O LEU B4643 " (cutoff:3.500A) removed outlier: 4.487A pdb=" N LEU B4648 " --> pdb=" O TRP B4644 " (cutoff:3.500A) removed outlier: 5.923A pdb=" N LEU B4649 " --> pdb=" O CYS B4645 " (cutoff:3.500A) removed outlier: 5.303A pdb=" N HIS B4650 " --> pdb=" O LEU B4646 " (cutoff:3.500A) removed outlier: 4.443A pdb=" N THR B4651 " --> pdb=" O SER B4647 " (cutoff:3.500A) removed outlier: 3.525A pdb=" N LEU B4652 " --> pdb=" O LEU B4648 " (cutoff:3.500A) removed outlier: 4.150A pdb=" N LYS B4665 " --> pdb=" O TYR B4661 " (cutoff:3.500A) removed outlier: 4.858A pdb=" N VAL B4666 " --> pdb=" O ASN B4662 " (cutoff:3.500A) Proline residue: B4667 - end of helix removed outlier: 4.798A pdb=" N GLU B4676 " --> pdb=" O LYS B4672 " (cutoff:3.500A) removed outlier: 4.777A pdb=" N LEU B4677 " --> pdb=" O ARG B4673 " (cutoff:3.500A) removed outlier: 3.688A pdb=" N ALA B4678 " --> pdb=" O GLU B4674 " (cutoff:3.500A) Processing helix chain 'B' and resid 4685 through 4690 removed outlier: 5.307A pdb=" N THR B4689 " --> pdb=" O GLY B4685 " (cutoff:3.500A) removed outlier: 4.622A pdb=" N GLU B4690 " --> pdb=" O LEU B4686 " (cutoff:3.500A) No H-bonds generated for 'chain 'B' and resid 4685 through 4690' Processing helix chain 'B' and resid 4696 through 4701 Processing helix chain 'B' and resid 4719 through 4733 removed outlier: 3.529A pdb=" N LYS B4723 " --> pdb=" O PHE B4719 " (cutoff:3.500A) removed outlier: 3.625A pdb=" N LEU B4725 " --> pdb=" O LYS B4721 " (cutoff:3.500A) removed outlier: 4.105A pdb=" N ASP B4726 " --> pdb=" O ARG B4722 " (cutoff:3.500A) removed outlier: 4.776A pdb=" N LYS B4727 " --> pdb=" O LYS B4723 " (cutoff:3.500A) removed outlier: 3.567A pdb=" N HIS B4728 " --> pdb=" O VAL B4724 " (cutoff:3.500A) removed outlier: 4.303A pdb=" N ASP B4730 " --> pdb=" O ASP B4726 " (cutoff:3.500A) removed outlier: 6.356A pdb=" N ILE B4731 " --> pdb=" O LYS B4727 " (cutoff:3.500A) removed outlier: 4.625A pdb=" N PHE B4732 " --> pdb=" O HIS B4728 " (cutoff:3.500A) removed outlier: 4.479A pdb=" N GLY B4733 " --> pdb=" O GLY B4729 " (cutoff:3.500A) Processing helix chain 'B' and resid 4734 through 4742 removed outlier: 4.370A pdb=" N LEU B4740 " --> pdb=" O ARG B4736 " (cutoff:3.500A) removed outlier: 4.357A pdb=" N LEU B4741 " --> pdb=" O ILE B4737 " (cutoff:3.500A) Processing helix chain 'B' and resid 4745 through 4753 removed outlier: 4.319A pdb=" N THR B4751 " --> pdb=" O SER B4747 " (cutoff:3.500A) removed outlier: 3.544A pdb=" N ALA B4752 " --> pdb=" O LEU B4748 " (cutoff:3.500A) Processing helix chain 'B' and resid 4765 through 4771 removed outlier: 5.454A pdb=" N MET B4769 " --> pdb=" O LEU B4765 " (cutoff:3.500A) removed outlier: 4.952A pdb=" N SER B4770 " --> pdb=" O THR B4766 " (cutoff:3.500A) removed outlier: 4.697A pdb=" N ILE B4771 " --> pdb=" O TRP B4767 " (cutoff:3.500A) No H-bonds generated for 'chain 'B' and resid 4765 through 4771' Processing helix chain 'B' and resid 4772 through 4786 removed outlier: 3.608A pdb=" N VAL B4782 " --> pdb=" O TRP B4778 " (cutoff:3.500A) removed outlier: 3.908A pdb=" N ILE B4783 " --> pdb=" O LYS B4779 " (cutoff:3.500A) removed outlier: 4.410A pdb=" N PHE B4784 " --> pdb=" O PHE B4780 " (cutoff:3.500A) removed outlier: 4.545A pdb=" N THR B4785 " --> pdb=" O GLY B4781 " (cutoff:3.500A) removed outlier: 4.127A pdb=" N ASP B4786 " --> pdb=" O VAL B4782 " (cutoff:3.500A) Processing helix chain 'B' and resid 4787 through 4804 removed outlier: 4.757A pdb=" N TYR B4804 " --> pdb=" O LEU B4800 " (cutoff:3.500A) Processing helix chain 'B' and resid 4809 through 4819 removed outlier: 4.803A pdb=" N LEU B4813 " --> pdb=" O PHE B4809 " (cutoff:3.500A) removed outlier: 4.548A pdb=" N LEU B4814 " --> pdb=" O ALA B4810 " (cutoff:3.500A) removed outlier: 4.768A pdb=" N GLY B4819 " --> pdb=" O ASP B4815 " (cutoff:3.500A) Processing helix chain 'B' and resid 4820 through 4827 removed outlier: 4.319A pdb=" N ILE B4826 " --> pdb=" O THR B4822 " (cutoff:3.500A) Processing helix chain 'B' and resid 4828 through 4834 removed outlier: 4.105A pdb=" N HIS B4832 " --> pdb=" O SER B4828 " (cutoff:3.500A) removed outlier: 3.707A pdb=" N ASN B4833 " --> pdb=" O SER B4829 " (cutoff:3.500A) removed outlier: 4.303A pdb=" N GLY B4834 " --> pdb=" O VAL B4830 " (cutoff:3.500A) No H-bonds generated for 'chain 'B' and resid 4828 through 4834' Processing helix chain 'B' and resid 4835 through 4859 removed outlier: 4.549A pdb=" N MET B4839 " --> pdb=" O LYS B4835 " (cutoff:3.500A) removed outlier: 4.508A pdb=" N THR B4840 " --> pdb=" O GLN B4836 " (cutoff:3.500A) removed outlier: 4.500A pdb=" N GLY B4842 " --> pdb=" O VAL B4838 " (cutoff:3.500A) removed outlier: 4.922A pdb=" N LEU B4843 " --> pdb=" O MET B4839 " (cutoff:3.500A) removed outlier: 4.153A pdb=" N LEU B4844 " --> pdb=" O THR B4840 " (cutoff:3.500A) removed outlier: 3.689A pdb=" N ASN B4857 " --> pdb=" O VAL B4853 " (cutoff:3.500A) removed outlier: 3.710A pdb=" N PHE B4858 " --> pdb=" O VAL B4854 " (cutoff:3.500A) Processing helix chain 'B' and resid 4878 through 4893 removed outlier: 4.687A pdb=" N VAL B4891 " --> pdb=" O MET B4887 " (cutoff:3.500A) removed outlier: 4.510A pdb=" N ARG B4892 " --> pdb=" O TYR B4888 " (cutoff:3.500A) Processing helix chain 'B' and resid 4897 through 4902 removed outlier: 5.106A pdb=" N GLU B4902 " --> pdb=" O GLY B4898 " (cutoff:3.500A) Processing helix chain 'B' and resid 4909 through 4925 removed outlier: 3.620A pdb=" N VAL B4914 " --> pdb=" O GLU B4910 " (cutoff:3.500A) removed outlier: 4.763A pdb=" N VAL B4915 " --> pdb=" O LEU B4911 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N ILE B4918 " --> pdb=" O VAL B4914 " (cutoff:3.500A) Processing helix chain 'B' and resid 4928 through 4953 removed outlier: 4.061A pdb=" N ILE B4932 " --> pdb=" O LEU B4928 " (cutoff:3.500A) removed outlier: 3.655A pdb=" N ASP B4938 " --> pdb=" O GLY B4934 " (cutoff:3.500A) removed outlier: 3.626A pdb=" N LEU B4943 " --> pdb=" O ALA B4939 " (cutoff:3.500A) removed outlier: 3.703A pdb=" N ARG B4944 " --> pdb=" O PHE B4940 " (cutoff:3.500A) removed outlier: 3.716A pdb=" N GLU B4952 " --> pdb=" O GLU B4948 " (cutoff:3.500A) Processing helix chain 'B' and resid 4964 through 4972 removed outlier: 3.863A pdb=" N PHE B4968 " --> pdb=" O GLY B4964 " (cutoff:3.500A) removed outlier: 4.170A pdb=" N THR B4970 " --> pdb=" O ASP B4966 " (cutoff:3.500A) removed outlier: 4.830A pdb=" N THR B4971 " --> pdb=" O TYR B4967 " (cutoff:3.500A) Proline residue: B4972 - end of helix Processing helix chain 'B' and resid 4973 through 4981 removed outlier: 3.975A pdb=" N LEU B4980 " --> pdb=" O GLU B4976 " (cutoff:3.500A) removed outlier: 4.563A pdb=" N GLU B4981 " --> pdb=" O THR B4977 " (cutoff:3.500A) Processing helix chain 'B' and resid 4986 through 4999 removed outlier: 4.589A pdb=" N PHE B4990 " --> pdb=" O ALA B4986 " (cutoff:3.500A) removed outlier: 5.603A pdb=" N ASP B4999 " --> pdb=" O LEU B4995 " (cutoff:3.500A) Processing helix chain 'B' and resid 5004 through 5017 Processing helix chain 'B' and resid 5028 through 5033 removed outlier: 5.273A pdb=" N TYR B5032 " --> pdb=" O PHE B5028 " (cutoff:3.500A) removed outlier: 4.194A pdb=" N GLU B5033 " --> pdb=" O ARG B5029 " (cutoff:3.500A) No H-bonds generated for 'chain 'B' and resid 5028 through 5033' Processing helix chain 'B' and resid 956 through 961 removed outlier: 4.374A pdb=" N MET B 960 " --> pdb=" O LYS B 957 " (cutoff:3.500A) removed outlier: 4.826A pdb=" N MET B 961 " --> pdb=" O THR B 958 " (cutoff:3.500A) Processing helix chain 'B' and resid 2285 through 2290 removed outlier: 4.385A pdb=" N LEU B2288 " --> pdb=" O GLU B2285 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ALA B2289 " --> pdb=" O LEU B2286 " (cutoff:3.500A) removed outlier: 4.811A pdb=" N LEU B2290 " --> pdb=" O ALA B2287 " (cutoff:3.500A) No H-bonds generated for 'chain 'B' and resid 2285 through 2290' Processing helix chain 'B' and resid 4703 through 4708 removed outlier: 4.029A pdb=" N LEU B4706 " --> pdb=" O ARG B4703 " (cutoff:3.500A) removed outlier: 4.341A pdb=" N ASN B4707 " --> pdb=" O LEU B4704 " (cutoff:3.500A) Processing helix chain 'B' and resid 4709 through 4715 Proline residue: B4712 - end of helix Processing helix chain 'C' and resid 61 through 66 removed outlier: 4.641A pdb=" N CYS C 65 " --> pdb=" O ASP C 61 " (cutoff:3.500A) removed outlier: 3.987A pdb=" N CYS C 66 " --> pdb=" O LEU C 62 " (cutoff:3.500A) No H-bonds generated for 'chain 'C' and resid 61 through 66' Processing helix chain 'C' and resid 74 through 84 Processing helix chain 'C' and resid 250 through 256 removed outlier: 6.183A pdb=" N THR C 254 " --> pdb=" O GLY C 250 " (cutoff:3.500A) removed outlier: 5.269A pdb=" N HIS C 255 " --> pdb=" O ALA C 251 " (cutoff:3.500A) removed outlier: 5.138A pdb=" N ALA C 256 " --> pdb=" O VAL C 252 " (cutoff:3.500A) No H-bonds generated for 'chain 'C' and resid 250 through 256' Processing helix chain 'C' and resid 364 through 371 removed outlier: 3.957A pdb=" N VAL C 371 " --> pdb=" O LEU C 367 " (cutoff:3.500A) Processing helix chain 'C' and resid 396 through 425 removed outlier: 4.394A pdb=" N GLN C 413 " --> pdb=" O GLY C 409 " (cutoff:3.500A) removed outlier: 3.761A pdb=" N PHE C 414 " --> pdb=" O LEU C 410 " (cutoff:3.500A) removed outlier: 3.812A pdb=" N PHE C 421 " --> pdb=" O GLY C 417 " (cutoff:3.500A) removed outlier: 4.444A pdb=" N GLY C 423 " --> pdb=" O ASP C 419 " (cutoff:3.500A) removed outlier: 4.559A pdb=" N LYS C 424 " --> pdb=" O SER C 420 " (cutoff:3.500A) Proline residue: C 425 - end of helix Processing helix chain 'C' and resid 437 through 453 removed outlier: 4.804A pdb=" N VAL C 441 " --> pdb=" O PRO C 437 " (cutoff:3.500A) removed outlier: 3.629A pdb=" N GLN C 446 " --> pdb=" O ILE C 442 " (cutoff:3.500A) removed outlier: 3.890A pdb=" N PHE C 452 " --> pdb=" O LEU C 448 " (cutoff:3.500A) removed outlier: 5.729A pdb=" N GLU C 453 " --> pdb=" O ILE C 449 " (cutoff:3.500A) Processing helix chain 'C' and resid 461 through 481 removed outlier: 3.665A pdb=" N ARG C 469 " --> pdb=" O GLN C 465 " (cutoff:3.500A) removed outlier: 4.183A pdb=" N GLU C 480 " --> pdb=" O SER C 476 " (cutoff:3.500A) removed outlier: 5.058A pdb=" N GLU C 481 " --> pdb=" O LEU C 477 " (cutoff:3.500A) Processing helix chain 'C' and resid 484 through 496 removed outlier: 3.948A pdb=" N CYS C 490 " --> pdb=" O LEU C 486 " (cutoff:3.500A) removed outlier: 4.682A pdb=" N VAL C 496 " --> pdb=" O ASP C 492 " (cutoff:3.500A) Processing helix chain 'C' and resid 510 through 531 removed outlier: 5.211A pdb=" N SER C 514 " --> pdb=" O GLU C 510 " (cutoff:3.500A) removed outlier: 4.246A pdb=" N TRP C 515 " --> pdb=" O ALA C 511 " (cutoff:3.500A) removed outlier: 4.982A pdb=" N LYS C 516 " --> pdb=" O ALA C 512 " (cutoff:3.500A) removed outlier: 5.342A pdb=" N GLU C 517 " --> pdb=" O GLU C 513 " (cutoff:3.500A) removed outlier: 4.642A pdb=" N ILE C 518 " --> pdb=" O SER C 514 " (cutoff:3.500A) Processing helix chain 'C' and resid 533 through 540 removed outlier: 4.645A pdb=" N CYS C 537 " --> pdb=" O ASN C 533 " (cutoff:3.500A) removed outlier: 3.912A pdb=" N LEU C 539 " --> pdb=" O ALA C 535 " (cutoff:3.500A) removed outlier: 5.258A pdb=" N PHE C 540 " --> pdb=" O ASN C 536 " (cutoff:3.500A) Processing helix chain 'C' and resid 541 through 551 removed outlier: 4.634A pdb=" N ASP C 545 " --> pdb=" O SER C 541 " (cutoff:3.500A) removed outlier: 4.617A pdb=" N TRP C 546 " --> pdb=" O THR C 542 " (cutoff:3.500A) removed outlier: 3.772A pdb=" N VAL C 548 " --> pdb=" O LEU C 544 " (cutoff:3.500A) removed outlier: 4.601A pdb=" N LEU C 551 " --> pdb=" O VAL C 547 " (cutoff:3.500A) Processing helix chain 'C' and resid 555 through 571 removed outlier: 4.101A pdb=" N LEU C 561 " --> pdb=" O SER C 557 " (cutoff:3.500A) removed outlier: 6.080A pdb=" N GLU C 562 " --> pdb=" O SER C 558 " (cutoff:3.500A) removed outlier: 4.964A pdb=" N VAL C 563 " --> pdb=" O GLY C 559 " (cutoff:3.500A) Processing helix chain 'C' and resid 573 through 578 removed outlier: 4.344A pdb=" N ILE C 577 " --> pdb=" O GLU C 573 " (cutoff:3.500A) removed outlier: 4.414A pdb=" N ILE C 578 " --> pdb=" O VAL C 574 " (cutoff:3.500A) No H-bonds generated for 'chain 'C' and resid 573 through 578' Processing helix chain 'C' and resid 579 through 594 removed outlier: 6.091A pdb=" N ILE C 583 " --> pdb=" O GLN C 579 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N LEU C 590 " --> pdb=" O ILE C 586 " (cutoff:3.500A) removed outlier: 3.980A pdb=" N ASP C 591 " --> pdb=" O ILE C 587 " (cutoff:3.500A) Processing helix chain 'C' and resid 598 through 609 removed outlier: 4.223A pdb=" N VAL C 602 " --> pdb=" O LYS C 598 " (cutoff:3.500A) removed outlier: 4.376A pdb=" N LEU C 603 " --> pdb=" O VAL C 599 " (cutoff:3.500A) removed outlier: 3.683A pdb=" N CYS C 607 " --> pdb=" O LEU C 603 " (cutoff:3.500A) removed outlier: 4.495A pdb=" N VAL C 608 " --> pdb=" O CYS C 604 " (cutoff:3.500A) removed outlier: 4.550A pdb=" N CYS C 609 " --> pdb=" O SER C 605 " (cutoff:3.500A) Processing helix chain 'C' and resid 614 through 626 removed outlier: 4.328A pdb=" N GLN C 618 " --> pdb=" O VAL C 614 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N THR C 622 " --> pdb=" O GLN C 618 " (cutoff:3.500A) removed outlier: 5.402A pdb=" N LEU C 626 " --> pdb=" O THR C 622 " (cutoff:3.500A) Processing helix chain 'C' and resid 865 through 890 removed outlier: 4.745A pdb=" N ARG C 869 " --> pdb=" O PRO C 865 " (cutoff:3.500A) removed outlier: 3.967A pdb=" N ILE C 870 " --> pdb=" O HIS C 866 " (cutoff:3.500A) removed outlier: 4.021A pdb=" N GLU C 876 " --> pdb=" O GLU C 872 " (cutoff:3.500A) removed outlier: 3.716A pdb=" N ASN C 877 " --> pdb=" O LYS C 873 " (cutoff:3.500A) Processing helix chain 'C' and resid 914 through 936 removed outlier: 4.021A pdb=" N TYR C 920 " --> pdb=" O PRO C 916 " (cutoff:3.500A) removed outlier: 4.694A pdb=" N GLY C 936 " --> pdb=" O LEU C 932 " (cutoff:3.500A) Processing helix chain 'C' and resid 945 through 950 removed outlier: 4.510A pdb=" N ASN C 949 " --> pdb=" O LYS C 945 " (cutoff:3.500A) removed outlier: 4.065A pdb=" N LEU C 950 " --> pdb=" O ALA C 946 " (cutoff:3.500A) No H-bonds generated for 'chain 'C' and resid 945 through 950' Processing helix chain 'C' and resid 983 through 1002 removed outlier: 5.243A pdb=" N ARG C 987 " --> pdb=" O THR C 983 " (cutoff:3.500A) Processing helix chain 'C' and resid 1029 through 1050 removed outlier: 5.535A pdb=" N ARG C1033 " --> pdb=" O GLU C1029 " (cutoff:3.500A) removed outlier: 4.643A pdb=" N SER C1034 " --> pdb=" O ALA C1030 " (cutoff:3.500A) removed outlier: 3.805A pdb=" N SER C1038 " --> pdb=" O SER C1034 " (cutoff:3.500A) removed outlier: 4.445A pdb=" N LEU C1039 " --> pdb=" O ASN C1035 " (cutoff:3.500A) removed outlier: 3.762A pdb=" N CYS C1040 " --> pdb=" O ARG C1036 " (cutoff:3.500A) removed outlier: 3.916A pdb=" N GLN C1041 " --> pdb=" O ASP C1037 " (cutoff:3.500A) removed outlier: 3.923A pdb=" N ALA C1042 " --> pdb=" O SER C1038 " (cutoff:3.500A) removed outlier: 3.888A pdb=" N GLY C1050 " --> pdb=" O LEU C1046 " (cutoff:3.500A) Processing helix chain 'C' and resid 1574 through 1581 Processing helix chain 'C' and resid 1649 through 1657 removed outlier: 4.069A pdb=" N LEU C1653 " --> pdb=" O ASP C1649 " (cutoff:3.500A) removed outlier: 4.973A pdb=" N SER C1654 " --> pdb=" O ILE C1650 " (cutoff:3.500A) removed outlier: 5.973A pdb=" N GLU C1655 " --> pdb=" O LEU C1651 " (cutoff:3.500A) removed outlier: 4.294A pdb=" N ARG C1656 " --> pdb=" O GLU C1652 " (cutoff:3.500A) removed outlier: 4.203A pdb=" N LEU C1657 " --> pdb=" O LEU C1653 " (cutoff:3.500A) No H-bonds generated for 'chain 'C' and resid 1649 through 1657' Processing helix chain 'C' and resid 1658 through 1675 Processing helix chain 'C' and resid 1679 through 1690 removed outlier: 3.908A pdb=" N ALA C1684 " --> pdb=" O ARG C1680 " (cutoff:3.500A) removed outlier: 3.718A pdb=" N SER C1687 " --> pdb=" O HIS C1683 " (cutoff:3.500A) Processing helix chain 'C' and resid 1692 through 1701 removed outlier: 4.484A pdb=" N GLU C1699 " --> pdb=" O LEU C1695 " (cutoff:3.500A) removed outlier: 4.222A pdb=" N ASP C1700 " --> pdb=" O HIS C1696 " (cutoff:3.500A) removed outlier: 5.881A pdb=" N ALA C1701 " --> pdb=" O ALA C1697 " (cutoff:3.500A) Processing helix chain 'C' and resid 1704 through 1720 removed outlier: 7.151A pdb=" N ARG C1708 " --> pdb=" O PRO C1704 " (cutoff:3.500A) removed outlier: 3.925A pdb=" N ALA C1709 " --> pdb=" O GLY C1705 " (cutoff:3.500A) removed outlier: 3.794A pdb=" N ILE C1718 " --> pdb=" O LEU C1714 " (cutoff:3.500A) removed outlier: 4.300A pdb=" N HIS C1719 " --> pdb=" O LEU C1715 " (cutoff:3.500A) Processing helix chain 'C' and resid 1723 through 1731 removed outlier: 4.161A pdb=" N SER C1729 " --> pdb=" O ARG C1725 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N MET C1730 " --> pdb=" O SER C1726 " (cutoff:3.500A) Processing helix chain 'C' and resid 1739 through 1745 removed outlier: 3.624A pdb=" N ARG C1743 " --> pdb=" O THR C1739 " (cutoff:3.500A) removed outlier: 4.164A pdb=" N ALA C1744 " --> pdb=" O PRO C1740 " (cutoff:3.500A) removed outlier: 4.902A pdb=" N ILE C1745 " --> pdb=" O GLU C1741 " (cutoff:3.500A) No H-bonds generated for 'chain 'C' and resid 1739 through 1745' Processing helix chain 'C' and resid 1754 through 1759 removed outlier: 4.357A pdb=" N ARG C1758 " --> pdb=" O GLY C1754 " (cutoff:3.500A) removed outlier: 4.391A pdb=" N ARG C1759 " --> pdb=" O GLY C1755 " (cutoff:3.500A) No H-bonds generated for 'chain 'C' and resid 1754 through 1759' Processing helix chain 'C' and resid 1803 through 1825 removed outlier: 3.707A pdb=" N ASP C1809 " --> pdb=" O GLU C1805 " (cutoff:3.500A) removed outlier: 3.661A pdb=" N GLN C1824 " --> pdb=" O ARG C1820 " (cutoff:3.500A) removed outlier: 4.178A pdb=" N HIS C1825 " --> pdb=" O ASP C1821 " (cutoff:3.500A) Processing helix chain 'C' and resid 1833 through 1852 removed outlier: 4.024A pdb=" N GLN C1837 " --> pdb=" O SER C1833 " (cutoff:3.500A) removed outlier: 4.474A pdb=" N PHE C1838 " --> pdb=" O VAL C1834 " (cutoff:3.500A) removed outlier: 4.890A pdb=" N VAL C1839 " --> pdb=" O GLU C1835 " (cutoff:3.500A) Proline residue: C1840 - end of helix removed outlier: 4.661A pdb=" N LYS C1843 " --> pdb=" O VAL C1839 " (cutoff:3.500A) removed outlier: 3.730A pdb=" N VAL C1845 " --> pdb=" O VAL C1841 " (cutoff:3.500A) removed outlier: 3.902A pdb=" N MET C1851 " --> pdb=" O THR C1847 " (cutoff:3.500A) removed outlier: 3.961A pdb=" N GLY C1852 " --> pdb=" O LEU C1848 " (cutoff:3.500A) Processing helix chain 'C' and resid 1855 through 1865 removed outlier: 4.707A pdb=" N VAL C1859 " --> pdb=" O GLY C1855 " (cutoff:3.500A) removed outlier: 4.658A pdb=" N MET C1865 " --> pdb=" O GLN C1861 " (cutoff:3.500A) Processing helix chain 'C' and resid 1866 through 1871 Processing helix chain 'C' and resid 1925 through 1930 removed outlier: 4.560A pdb=" N MET C1929 " --> pdb=" O GLY C1925 " (cutoff:3.500A) removed outlier: 5.339A pdb=" N LYS C1930 " --> pdb=" O LEU C1926 " (cutoff:3.500A) No H-bonds generated for 'chain 'C' and resid 1925 through 1930' Processing helix chain 'C' and resid 1934 through 1984 removed outlier: 3.618A pdb=" N TYR C1945 " --> pdb=" O ASN C1941 " (cutoff:3.500A) removed outlier: 3.662A pdb=" N PHE C1946 " --> pdb=" O LEU C1942 " (cutoff:3.500A) removed outlier: 3.926A pdb=" N ARG C1964 " --> pdb=" O ALA C1960 " (cutoff:3.500A) removed outlier: 3.530A pdb=" N TYR C1965 " --> pdb=" O PHE C1961 " (cutoff:3.500A) removed outlier: 4.787A pdb=" N PHE C1984 " --> pdb=" O LEU C1980 " (cutoff:3.500A) Processing helix chain 'C' and resid 1989 through 1997 removed outlier: 4.454A pdb=" N ARG C1993 " --> pdb=" O ALA C1989 " (cutoff:3.500A) removed outlier: 5.042A pdb=" N GLU C1997 " --> pdb=" O ARG C1993 " (cutoff:3.500A) Processing helix chain 'C' and resid 2001 through 2013 removed outlier: 3.795A pdb=" N GLN C2005 " --> pdb=" O PRO C2001 " (cutoff:3.500A) removed outlier: 5.211A pdb=" N ASN C2007 " --> pdb=" O GLN C2003 " (cutoff:3.500A) removed outlier: 4.533A pdb=" N MET C2008 " --> pdb=" O GLU C2004 " (cutoff:3.500A) removed outlier: 4.338A pdb=" N LEU C2009 " --> pdb=" O GLN C2005 " (cutoff:3.500A) removed outlier: 4.831A pdb=" N LEU C2010 " --> pdb=" O ILE C2006 " (cutoff:3.500A) removed outlier: 3.858A pdb=" N HIS C2011 " --> pdb=" O ASN C2007 " (cutoff:3.500A) removed outlier: 4.783A pdb=" N PHE C2012 " --> pdb=" O MET C2008 " (cutoff:3.500A) removed outlier: 4.707A pdb=" N LYS C2013 " --> pdb=" O LEU C2009 " (cutoff:3.500A) Processing helix chain 'C' and resid 2024 through 2043 removed outlier: 4.806A pdb=" N ARG C2028 " --> pdb=" O PRO C2024 " (cutoff:3.500A) removed outlier: 5.168A pdb=" N GLN C2029 " --> pdb=" O GLU C2025 " (cutoff:3.500A) removed outlier: 4.659A pdb=" N ASP C2030 " --> pdb=" O ASP C2026 " (cutoff:3.500A) removed outlier: 3.965A pdb=" N LEU C2031 " --> pdb=" O ILE C2027 " (cutoff:3.500A) removed outlier: 3.509A pdb=" N GLN C2032 " --> pdb=" O ARG C2028 " (cutoff:3.500A) removed outlier: 4.719A pdb=" N GLY C2043 " --> pdb=" O LEU C2039 " (cutoff:3.500A) Processing helix chain 'C' and resid 2093 through 2108 removed outlier: 3.840A pdb=" N TRP C2105 " --> pdb=" O MET C2101 " (cutoff:3.500A) removed outlier: 4.008A pdb=" N ALA C2106 " --> pdb=" O VAL C2102 " (cutoff:3.500A) Processing helix chain 'C' and resid 2113 through 2130 removed outlier: 4.420A pdb=" N GLY C2130 " --> pdb=" O ARG C2126 " (cutoff:3.500A) Processing helix chain 'C' and resid 2131 through 2141 Proline residue: C2139 - end of helix Processing helix chain 'C' and resid 2148 through 2168 removed outlier: 4.284A pdb=" N SER C2154 " --> pdb=" O GLU C2150 " (cutoff:3.500A) removed outlier: 3.987A pdb=" N LEU C2155 " --> pdb=" O ASP C2151 " (cutoff:3.500A) removed outlier: 4.004A pdb=" N ILE C2167 " --> pdb=" O ARG C2163 " (cutoff:3.500A) removed outlier: 4.875A pdb=" N VAL C2168 " --> pdb=" O SER C2164 " (cutoff:3.500A) Processing helix chain 'C' and resid 2171 through 2188 removed outlier: 4.437A pdb=" N LEU C2177 " --> pdb=" O GLN C2173 " (cutoff:3.500A) removed outlier: 3.687A pdb=" N ILE C2179 " --> pdb=" O GLU C2175 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N GLN C2180 " --> pdb=" O ASN C2176 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N ILE C2185 " --> pdb=" O SER C2181 " (cutoff:3.500A) removed outlier: 4.112A pdb=" N MET C2186 " --> pdb=" O ILE C2182 " (cutoff:3.500A) removed outlier: 4.789A pdb=" N ASN C2187 " --> pdb=" O GLY C2183 " (cutoff:3.500A) removed outlier: 5.093A pdb=" N ASN C2188 " --> pdb=" O ASN C2184 " (cutoff:3.500A) Processing helix chain 'C' and resid 2189 through 2195 removed outlier: 4.617A pdb=" N GLN C2193 " --> pdb=" O LYS C2189 " (cutoff:3.500A) Proline residue: C2195 - end of helix Processing helix chain 'C' and resid 2196 through 2202 removed outlier: 4.117A pdb=" N ALA C2200 " --> pdb=" O ASN C2196 " (cutoff:3.500A) Processing helix chain 'C' and resid 2203 through 2216 removed outlier: 3.645A pdb=" N VAL C2210 " --> pdb=" O THR C2206 " (cutoff:3.500A) Processing helix chain 'C' and resid 2227 through 2244 removed outlier: 3.750A pdb=" N SER C2243 " --> pdb=" O PHE C2239 " (cutoff:3.500A) removed outlier: 5.038A pdb=" N ARG C2244 " --> pdb=" O CYS C2240 " (cutoff:3.500A) Processing helix chain 'C' and resid 2245 through 2252 removed outlier: 4.848A pdb=" N ASP C2252 " --> pdb=" O ARG C2248 " (cutoff:3.500A) Processing helix chain 'C' and resid 2253 through 2265 removed outlier: 3.699A pdb=" N ASN C2260 " --> pdb=" O TYR C2256 " (cutoff:3.500A) removed outlier: 3.531A pdb=" N GLY C2262 " --> pdb=" O LEU C2258 " (cutoff:3.500A) removed outlier: 4.604A pdb=" N ILE C2263 " --> pdb=" O GLU C2259 " (cutoff:3.500A) removed outlier: 5.089A pdb=" N LEU C2265 " --> pdb=" O SER C2261 " (cutoff:3.500A) Processing helix chain 'C' and resid 2271 through 2280 removed outlier: 3.641A pdb=" N VAL C2275 " --> pdb=" O THR C2271 " (cutoff:3.500A) removed outlier: 4.682A pdb=" N VAL C2280 " --> pdb=" O ALA C2276 " (cutoff:3.500A) Processing helix chain 'C' and resid 2294 through 2309 removed outlier: 3.827A pdb=" N VAL C2299 " --> pdb=" O LEU C2295 " (cutoff:3.500A) removed outlier: 3.599A pdb=" N LEU C2302 " --> pdb=" O VAL C2298 " (cutoff:3.500A) removed outlier: 4.992A pdb=" N SER C2309 " --> pdb=" O CYS C2305 " (cutoff:3.500A) Processing helix chain 'C' and resid 2310 through 2315 removed outlier: 3.882A pdb=" N ALA C2315 " --> pdb=" O PRO C2311 " (cutoff:3.500A) Processing helix chain 'C' and resid 2324 through 2341 removed outlier: 4.771A pdb=" N LEU C2332 " --> pdb=" O GLY C2328 " (cutoff:3.500A) removed outlier: 5.604A pdb=" N ASP C2333 " --> pdb=" O GLU C2329 " (cutoff:3.500A) removed outlier: 6.517A pdb=" N PHE C2334 " --> pdb=" O ARG C2330 " (cutoff:3.500A) removed outlier: 6.823A pdb=" N LEU C2335 " --> pdb=" O TYR C2331 " (cutoff:3.500A) removed outlier: 3.706A pdb=" N ALA C2338 " --> pdb=" O PHE C2334 " (cutoff:3.500A) removed outlier: 4.978A pdb=" N VAL C2339 " --> pdb=" O LEU C2335 " (cutoff:3.500A) removed outlier: 4.910A pdb=" N PHE C2340 " --> pdb=" O ARG C2336 " (cutoff:3.500A) removed outlier: 6.253A pdb=" N VAL C2341 " --> pdb=" O PHE C2337 " (cutoff:3.500A) Processing helix chain 'C' and resid 2346 through 2360 removed outlier: 4.159A pdb=" N ALA C2350 " --> pdb=" O VAL C2346 " (cutoff:3.500A) removed outlier: 3.923A pdb=" N ILE C2358 " --> pdb=" O VAL C2354 " (cutoff:3.500A) removed outlier: 4.198A pdb=" N ARG C2359 " --> pdb=" O ARG C2355 " (cutoff:3.500A) removed outlier: 4.489A pdb=" N LYS C2360 " --> pdb=" O LEU C2356 " (cutoff:3.500A) Processing helix chain 'C' and resid 2365 through 2371 removed outlier: 5.440A pdb=" N GLU C2371 " --> pdb=" O ALA C2367 " (cutoff:3.500A) Processing helix chain 'C' and resid 2375 through 2390 Proline residue: C2390 - end of helix Processing helix chain 'C' and resid 2417 through 2437 removed outlier: 4.173A pdb=" N ALA C2437 " --> pdb=" O LEU C2433 " (cutoff:3.500A) Processing helix chain 'C' and resid 2440 through 2448 removed outlier: 4.653A pdb=" N GLY C2448 " --> pdb=" O GLN C2444 " (cutoff:3.500A) Processing helix chain 'C' and resid 2449 through 2462 removed outlier: 3.771A pdb=" N ILE C2453 " --> pdb=" O GLU C2449 " (cutoff:3.500A) Proline residue: C2462 - end of helix Processing helix chain 'C' and resid 2464 through 2472 removed outlier: 5.215A pdb=" N GLY C2468 " --> pdb=" O ASP C2464 " (cutoff:3.500A) removed outlier: 3.897A pdb=" N ILE C2469 " --> pdb=" O ASP C2465 " (cutoff:3.500A) removed outlier: 4.270A pdb=" N LEU C2472 " --> pdb=" O GLY C2468 " (cutoff:3.500A) Processing helix chain 'C' and resid 2751 through 2772 removed outlier: 5.084A pdb=" N ILE C2755 " --> pdb=" O LEU C2751 " (cutoff:3.500A) removed outlier: 4.458A pdb=" N ASN C2756 " --> pdb=" O ASP C2752 " (cutoff:3.500A) removed outlier: 4.661A pdb=" N PHE C2758 " --> pdb=" O PHE C2754 " (cutoff:3.500A) removed outlier: 5.454A pdb=" N ALA C2759 " --> pdb=" O ILE C2755 " (cutoff:3.500A) removed outlier: 5.008A pdb=" N GLU C2760 " --> pdb=" O ASN C2756 " (cutoff:3.500A) removed outlier: 6.622A pdb=" N TYR C2761 " --> pdb=" O LYS C2757 " (cutoff:3.500A) removed outlier: 4.744A pdb=" N THR C2762 " --> pdb=" O PHE C2758 " (cutoff:3.500A) removed outlier: 4.144A pdb=" N HIS C2763 " --> pdb=" O ALA C2759 " (cutoff:3.500A) removed outlier: 4.735A pdb=" N GLU C2764 " --> pdb=" O GLU C2760 " (cutoff:3.500A) removed outlier: 3.606A pdb=" N LYS C2765 " --> pdb=" O TYR C2761 " (cutoff:3.500A) removed outlier: 3.839A pdb=" N ALA C2767 " --> pdb=" O HIS C2763 " (cutoff:3.500A) removed outlier: 4.069A pdb=" N PHE C2768 " --> pdb=" O GLU C2764 " (cutoff:3.500A) removed outlier: 4.761A pdb=" N GLN C2772 " --> pdb=" O PHE C2768 " (cutoff:3.500A) Processing helix chain 'C' and resid 2809 through 2816 removed outlier: 4.804A pdb=" N LYS C2814 " --> pdb=" O LYS C2810 " (cutoff:3.500A) removed outlier: 4.454A pdb=" N ALA C2815 " --> pdb=" O GLU C2811 " (cutoff:3.500A) Processing helix chain 'C' and resid 2870 through 2896 removed outlier: 4.075A pdb=" N GLU C2876 " --> pdb=" O GLN C2872 " (cutoff:3.500A) removed outlier: 3.830A pdb=" N ALA C2879 " --> pdb=" O ALA C2875 " (cutoff:3.500A) removed outlier: 4.560A pdb=" N GLU C2880 " --> pdb=" O GLU C2876 " (cutoff:3.500A) removed outlier: 3.697A pdb=" N ASN C2881 " --> pdb=" O GLN C2877 " (cutoff:3.500A) removed outlier: 4.803A pdb=" N TYR C2882 " --> pdb=" O LEU C2878 " (cutoff:3.500A) removed outlier: 5.993A pdb=" N HIS C2883 " --> pdb=" O ALA C2879 " (cutoff:3.500A) removed outlier: 4.591A pdb=" N ASN C2884 " --> pdb=" O GLU C2880 " (cutoff:3.500A) removed outlier: 4.492A pdb=" N THR C2885 " --> pdb=" O ASN C2881 " (cutoff:3.500A) removed outlier: 4.052A pdb=" N GLY C2887 " --> pdb=" O HIS C2883 " (cutoff:3.500A) removed outlier: 4.411A pdb=" N ARG C2888 " --> pdb=" O ASN C2884 " (cutoff:3.500A) removed outlier: 3.964A pdb=" N LYS C2889 " --> pdb=" O THR C2885 " (cutoff:3.500A) removed outlier: 4.791A pdb=" N LYS C2890 " --> pdb=" O TRP C2886 " (cutoff:3.500A) removed outlier: 3.635A pdb=" N GLU C2895 " --> pdb=" O LYS C2891 " (cutoff:3.500A) removed outlier: 3.651A pdb=" N ALA C2896 " --> pdb=" O GLN C2892 " (cutoff:3.500A) Processing helix chain 'C' and resid 2919 through 2932 removed outlier: 6.118A pdb=" N ALA C2923 " --> pdb=" O ASP C2919 " (cutoff:3.500A) removed outlier: 4.154A pdb=" N GLN C2924 " --> pdb=" O ARG C2920 " (cutoff:3.500A) removed outlier: 3.827A pdb=" N LEU C2927 " --> pdb=" O ALA C2923 " (cutoff:3.500A) removed outlier: 3.773A pdb=" N LYS C2928 " --> pdb=" O GLN C2924 " (cutoff:3.500A) removed outlier: 4.734A pdb=" N PHE C2929 " --> pdb=" O GLU C2925 " (cutoff:3.500A) removed outlier: 5.388A pdb=" N LEU C2930 " --> pdb=" O LEU C2926 " (cutoff:3.500A) removed outlier: 3.790A pdb=" N GLN C2931 " --> pdb=" O LEU C2927 " (cutoff:3.500A) removed outlier: 4.987A pdb=" N MET C2932 " --> pdb=" O LYS C2928 " (cutoff:3.500A) Processing helix chain 'C' and resid 3645 through 3656 removed outlier: 4.007A pdb=" N ASN C3651 " --> pdb=" O HIS C3647 " (cutoff:3.500A) removed outlier: 4.225A pdb=" N MET C3652 " --> pdb=" O ARG C3648 " (cutoff:3.500A) removed outlier: 5.432A pdb=" N PHE C3653 " --> pdb=" O ALA C3649 " (cutoff:3.500A) removed outlier: 6.161A pdb=" N LEU C3654 " --> pdb=" O CYS C3650 " (cutoff:3.500A) removed outlier: 4.719A pdb=" N GLU C3655 " --> pdb=" O ASN C3651 " (cutoff:3.500A) removed outlier: 4.873A pdb=" N SER C3656 " --> pdb=" O MET C3652 " (cutoff:3.500A) Processing helix chain 'C' and resid 3669 through 3681 removed outlier: 4.119A pdb=" N MET C3673 " --> pdb=" O PHE C3669 " (cutoff:3.500A) removed outlier: 3.733A pdb=" N ILE C3674 " --> pdb=" O GLU C3670 " (cutoff:3.500A) removed outlier: 4.495A pdb=" N GLY C3681 " --> pdb=" O LEU C3677 " (cutoff:3.500A) Processing helix chain 'C' and resid 3683 through 3688 removed outlier: 4.161A pdb=" N GLU C3688 " --> pdb=" O GLU C3684 " (cutoff:3.500A) Processing helix chain 'C' and resid 3696 through 3711 removed outlier: 4.171A pdb=" N THR C3711 " --> pdb=" O ARG C3707 " (cutoff:3.500A) Processing helix chain 'C' and resid 3719 through 3738 removed outlier: 4.006A pdb=" N ASP C3727 " --> pdb=" O MET C3723 " (cutoff:3.500A) removed outlier: 4.183A pdb=" N ILE C3728 " --> pdb=" O ALA C3724 " (cutoff:3.500A) Processing helix chain 'C' and resid 3754 through 3770 removed outlier: 5.088A pdb=" N MET C3758 " --> pdb=" O GLU C3754 " (cutoff:3.500A) removed outlier: 4.335A pdb=" N GLU C3759 " --> pdb=" O GLU C3755 " (cutoff:3.500A) removed outlier: 3.538A pdb=" N LYS C3760 " --> pdb=" O LYS C3756 " (cutoff:3.500A) removed outlier: 4.145A pdb=" N ARG C3762 " --> pdb=" O MET C3758 " (cutoff:3.500A) removed outlier: 3.911A pdb=" N LEU C3770 " --> pdb=" O GLN C3766 " (cutoff:3.500A) Processing helix chain 'C' and resid 3771 through 3785 removed outlier: 4.130A pdb=" N GLU C3777 " --> pdb=" O ARG C3773 " (cutoff:3.500A) removed outlier: 3.897A pdb=" N VAL C3779 " --> pdb=" O ALA C3775 " (cutoff:3.500A) removed outlier: 5.258A pdb=" N LEU C3780 " --> pdb=" O ALA C3776 " (cutoff:3.500A) removed outlier: 4.169A pdb=" N GLN C3781 " --> pdb=" O GLU C3777 " (cutoff:3.500A) removed outlier: 4.791A pdb=" N ALA C3785 " --> pdb=" O GLN C3781 " (cutoff:3.500A) Processing helix chain 'C' and resid 3791 through 3806 removed outlier: 3.540A pdb=" N LEU C3805 " --> pdb=" O GLY C3801 " (cutoff:3.500A) removed outlier: 4.531A pdb=" N ASN C3806 " --> pdb=" O ILE C3802 " (cutoff:3.500A) Processing helix chain 'C' and resid 3809 through 3824 removed outlier: 4.046A pdb=" N LYS C3824 " --> pdb=" O LEU C3820 " (cutoff:3.500A) Processing helix chain 'C' and resid 3827 through 3839 removed outlier: 4.685A pdb=" N CYS C3839 " --> pdb=" O LEU C3835 " (cutoff:3.500A) Processing helix chain 'C' and resid 3843 through 3857 Processing helix chain 'C' and resid 3861 through 3866 removed outlier: 6.925A pdb=" N VAL C3865 " --> pdb=" O GLU C3861 " (cutoff:3.500A) removed outlier: 6.896A pdb=" N ILE C3866 " --> pdb=" O ASP C3862 " (cutoff:3.500A) No H-bonds generated for 'chain 'C' and resid 3861 through 3866' Processing helix chain 'C' and resid 3877 through 3894 removed outlier: 4.257A pdb=" N GLY C3894 " --> pdb=" O LEU C3890 " (cutoff:3.500A) Processing helix chain 'C' and resid 3897 through 3906 removed outlier: 5.878A pdb=" N ASN C3901 " --> pdb=" O ASN C3897 " (cutoff:3.500A) Processing helix chain 'C' and resid 3914 through 3939 removed outlier: 3.771A pdb=" N CYS C3918 " --> pdb=" O ASN C3914 " (cutoff:3.500A) removed outlier: 4.472A pdb=" N GLY C3939 " --> pdb=" O TRP C3935 " (cutoff:3.500A) Processing helix chain 'C' and resid 3944 through 3970 removed outlier: 3.924A pdb=" N GLU C3967 " --> pdb=" O ASN C3963 " (cutoff:3.500A) removed outlier: 4.372A pdb=" N TYR C3968 " --> pdb=" O SER C3964 " (cutoff:3.500A) removed outlier: 3.985A pdb=" N ILE C3969 " --> pdb=" O LEU C3965 " (cutoff:3.500A) Processing helix chain 'C' and resid 3973 through 3984 removed outlier: 4.284A pdb=" N GLN C3977 " --> pdb=" O CYS C3973 " (cutoff:3.500A) removed outlier: 3.999A pdb=" N GLN C3978 " --> pdb=" O THR C3974 " (cutoff:3.500A) removed outlier: 5.469A pdb=" N ARG C3984 " --> pdb=" O LEU C3980 " (cutoff:3.500A) Processing helix chain 'C' and resid 3985 through 4005 removed outlier: 3.665A pdb=" N HIS C3998 " --> pdb=" O HIS C3994 " (cutoff:3.500A) removed outlier: 3.751A pdb=" N MET C4000 " --> pdb=" O PHE C3996 " (cutoff:3.500A) removed outlier: 4.330A pdb=" N MET C4001 " --> pdb=" O ALA C3997 " (cutoff:3.500A) removed outlier: 4.452A pdb=" N ALA C4004 " --> pdb=" O MET C4000 " (cutoff:3.500A) removed outlier: 5.039A pdb=" N GLN C4005 " --> pdb=" O MET C4001 " (cutoff:3.500A) Processing helix chain 'C' and resid 4009 through 4032 removed outlier: 4.949A pdb=" N LEU C4019 " --> pdb=" O GLU C4015 " (cutoff:3.500A) removed outlier: 4.740A pdb=" N GLN C4020 " --> pdb=" O LEU C4016 " (cutoff:3.500A) removed outlier: 4.601A pdb=" N LYS C4021 " --> pdb=" O LEU C4017 " (cutoff:3.500A) removed outlier: 4.435A pdb=" N ASP C4022 " --> pdb=" O ASP C4018 " (cutoff:3.500A) removed outlier: 3.943A pdb=" N LEU C4031 " --> pdb=" O LEU C4027 " (cutoff:3.500A) Processing helix chain 'C' and resid 4039 through 4056 removed outlier: 5.925A pdb=" N GLN C4043 " --> pdb=" O MET C4039 " (cutoff:3.500A) removed outlier: 3.616A pdb=" N LEU C4048 " --> pdb=" O MET C4044 " (cutoff:3.500A) removed outlier: 5.062A pdb=" N SER C4053 " --> pdb=" O VAL C4049 " (cutoff:3.500A) removed outlier: 6.266A pdb=" N ASN C4054 " --> pdb=" O GLU C4050 " (cutoff:3.500A) removed outlier: 3.889A pdb=" N VAL C4055 " --> pdb=" O SER C4051 " (cutoff:3.500A) removed outlier: 4.380A pdb=" N GLU C4056 " --> pdb=" O SER C4052 " (cutoff:3.500A) Processing helix chain 'C' and resid 4057 through 4074 removed outlier: 5.378A pdb=" N LEU C4066 " --> pdb=" O PHE C4062 " (cutoff:3.500A) removed outlier: 4.507A pdb=" N LYS C4067 " --> pdb=" O ASP C4063 " (cutoff:3.500A) removed outlier: 5.482A pdb=" N LYS C4069 " --> pdb=" O PHE C4065 " (cutoff:3.500A) removed outlier: 5.417A pdb=" N ASP C4070 " --> pdb=" O LEU C4066 " (cutoff:3.500A) removed outlier: 5.395A pdb=" N ILE C4071 " --> pdb=" O LYS C4067 " (cutoff:3.500A) removed outlier: 4.881A pdb=" N VAL C4072 " --> pdb=" O LEU C4068 " (cutoff:3.500A) Processing helix chain 'C' and resid 4075 through 4081 removed outlier: 3.803A pdb=" N ASP C4079 " --> pdb=" O GLU C4075 " (cutoff:3.500A) removed outlier: 5.465A pdb=" N TYR C4080 " --> pdb=" O ALA C4076 " (cutoff:3.500A) removed outlier: 4.537A pdb=" N VAL C4081 " --> pdb=" O PHE C4077 " (cutoff:3.500A) No H-bonds generated for 'chain 'C' and resid 4075 through 4081' Processing helix chain 'C' and resid 4089 through 4101 removed outlier: 5.227A pdb=" N LYS C4101 " --> pdb=" O MET C4097 " (cutoff:3.500A) Processing helix chain 'C' and resid 4106 through 4116 removed outlier: 3.759A pdb=" N PHE C4110 " --> pdb=" O PRO C4106 " (cutoff:3.500A) removed outlier: 5.119A pdb=" N GLU C4116 " --> pdb=" O LEU C4112 " (cutoff:3.500A) Processing helix chain 'C' and resid 4124 through 4137 removed outlier: 3.896A pdb=" N PHE C4132 " --> pdb=" O PHE C4128 " (cutoff:3.500A) removed outlier: 3.518A pdb=" N GLN C4133 " --> pdb=" O ALA C4129 " (cutoff:3.500A) removed outlier: 4.646A pdb=" N GLU C4134 " --> pdb=" O ASN C4130 " (cutoff:3.500A) Proline residue: C4135 - end of helix Processing helix chain 'C' and resid 4138 through 4155 Proline residue: C4155 - end of helix Processing helix chain 'C' and resid 4157 through 4168 removed outlier: 4.561A pdb=" N GLU C4165 " --> pdb=" O ARG C4161 " (cutoff:3.500A) removed outlier: 4.951A pdb=" N LEU C4166 " --> pdb=" O ASN C4162 " (cutoff:3.500A) removed outlier: 4.377A pdb=" N ALA C4167 " --> pdb=" O PHE C4163 " (cutoff:3.500A) removed outlier: 4.954A pdb=" N GLU C4168 " --> pdb=" O LEU C4164 " (cutoff:3.500A) Processing helix chain 'C' and resid 4169 through 4175 removed outlier: 3.824A pdb=" N ARG C4175 " --> pdb=" O LEU C4171 " (cutoff:3.500A) Processing helix chain 'C' and resid 4198 through 4207 removed outlier: 3.811A pdb=" N GLU C4206 " --> pdb=" O ARG C4202 " (cutoff:3.500A) removed outlier: 5.261A pdb=" N MET C4207 " --> pdb=" O ALA C4203 " (cutoff:3.500A) Processing helix chain 'C' and resid 4208 through 4225 removed outlier: 4.619A pdb=" N SER C4213 " --> pdb=" O GLN C4209 " (cutoff:3.500A) removed outlier: 4.228A pdb=" N LYS C4214 " --> pdb=" O VAL C4210 " (cutoff:3.500A) removed outlier: 3.523A pdb=" N ASP C4220 " --> pdb=" O GLN C4216 " (cutoff:3.500A) removed outlier: 4.472A pdb=" N GLU C4224 " --> pdb=" O ASP C4220 " (cutoff:3.500A) removed outlier: 4.026A pdb=" N GLY C4225 " --> pdb=" O VAL C4221 " (cutoff:3.500A) Processing helix chain 'C' and resid 4227 through 4252 removed outlier: 4.432A pdb=" N MET C4231 " --> pdb=" O GLU C4227 " (cutoff:3.500A) removed outlier: 4.304A pdb=" N GLU C4232 " --> pdb=" O ALA C4228 " (cutoff:3.500A) removed outlier: 3.715A pdb=" N ALA C4249 " --> pdb=" O MET C4245 " (cutoff:3.500A) removed outlier: 4.416A pdb=" N GLN C4250 " --> pdb=" O GLN C4246 " (cutoff:3.500A) removed outlier: 4.425A pdb=" N ILE C4251 " --> pdb=" O ILE C4247 " (cutoff:3.500A) Processing helix chain 'C' and resid 4541 through 4556 removed outlier: 5.069A pdb=" N GLU C4545 " --> pdb=" O TRP C4541 " (cutoff:3.500A) removed outlier: 4.715A pdb=" N VAL C4546 " --> pdb=" O GLY C4542 " (cutoff:3.500A) removed outlier: 4.168A pdb=" N TYR C4554 " --> pdb=" O LYS C4550 " (cutoff:3.500A) removed outlier: 3.895A pdb=" N LEU C4555 " --> pdb=" O PHE C4551 " (cutoff:3.500A) Processing helix chain 'C' and resid 4558 through 4578 removed outlier: 4.071A pdb=" N LEU C4562 " --> pdb=" O ASN C4558 " (cutoff:3.500A) removed outlier: 4.068A pdb=" N PHE C4571 " --> pdb=" O LEU C4567 " (cutoff:3.500A) removed outlier: 4.388A pdb=" N ALA C4572 " --> pdb=" O PHE C4568 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N ILE C4573 " --> pdb=" O LEU C4569 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ASN C4574 " --> pdb=" O ALA C4570 " (cutoff:3.500A) removed outlier: 3.853A pdb=" N LEU C4577 " --> pdb=" O ILE C4573 " (cutoff:3.500A) removed outlier: 5.114A pdb=" N LEU C4578 " --> pdb=" O ASN C4574 " (cutoff:3.500A) Processing helix chain 'C' and resid 4643 through 4684 removed outlier: 4.460A pdb=" N SER C4647 " --> pdb=" O LEU C4643 " (cutoff:3.500A) removed outlier: 4.486A pdb=" N LEU C4648 " --> pdb=" O TRP C4644 " (cutoff:3.500A) removed outlier: 5.924A pdb=" N LEU C4649 " --> pdb=" O CYS C4645 " (cutoff:3.500A) removed outlier: 5.303A pdb=" N HIS C4650 " --> pdb=" O LEU C4646 " (cutoff:3.500A) removed outlier: 4.443A pdb=" N THR C4651 " --> pdb=" O SER C4647 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N LEU C4652 " --> pdb=" O LEU C4648 " (cutoff:3.500A) removed outlier: 4.151A pdb=" N LYS C4665 " --> pdb=" O TYR C4661 " (cutoff:3.500A) removed outlier: 4.859A pdb=" N VAL C4666 " --> pdb=" O ASN C4662 " (cutoff:3.500A) Proline residue: C4667 - end of helix removed outlier: 4.798A pdb=" N GLU C4676 " --> pdb=" O LYS C4672 " (cutoff:3.500A) removed outlier: 4.777A pdb=" N LEU C4677 " --> pdb=" O ARG C4673 " (cutoff:3.500A) removed outlier: 3.688A pdb=" N ALA C4678 " --> pdb=" O GLU C4674 " (cutoff:3.500A) Processing helix chain 'C' and resid 4685 through 4690 removed outlier: 5.305A pdb=" N THR C4689 " --> pdb=" O GLY C4685 " (cutoff:3.500A) removed outlier: 4.622A pdb=" N GLU C4690 " --> pdb=" O LEU C4686 " (cutoff:3.500A) No H-bonds generated for 'chain 'C' and resid 4685 through 4690' Processing helix chain 'C' and resid 4696 through 4701 Processing helix chain 'C' and resid 4719 through 4733 removed outlier: 3.530A pdb=" N LYS C4723 " --> pdb=" O PHE C4719 " (cutoff:3.500A) removed outlier: 3.625A pdb=" N LEU C4725 " --> pdb=" O LYS C4721 " (cutoff:3.500A) removed outlier: 4.105A pdb=" N ASP C4726 " --> pdb=" O ARG C4722 " (cutoff:3.500A) removed outlier: 4.776A pdb=" N LYS C4727 " --> pdb=" O LYS C4723 " (cutoff:3.500A) removed outlier: 3.566A pdb=" N HIS C4728 " --> pdb=" O VAL C4724 " (cutoff:3.500A) removed outlier: 4.302A pdb=" N ASP C4730 " --> pdb=" O ASP C4726 " (cutoff:3.500A) removed outlier: 6.356A pdb=" N ILE C4731 " --> pdb=" O LYS C4727 " (cutoff:3.500A) removed outlier: 4.625A pdb=" N PHE C4732 " --> pdb=" O HIS C4728 " (cutoff:3.500A) removed outlier: 4.478A pdb=" N GLY C4733 " --> pdb=" O GLY C4729 " (cutoff:3.500A) Processing helix chain 'C' and resid 4734 through 4742 removed outlier: 4.370A pdb=" N LEU C4740 " --> pdb=" O ARG C4736 " (cutoff:3.500A) removed outlier: 4.357A pdb=" N LEU C4741 " --> pdb=" O ILE C4737 " (cutoff:3.500A) Processing helix chain 'C' and resid 4745 through 4753 removed outlier: 4.319A pdb=" N THR C4751 " --> pdb=" O SER C4747 " (cutoff:3.500A) removed outlier: 3.544A pdb=" N ALA C4752 " --> pdb=" O LEU C4748 " (cutoff:3.500A) Processing helix chain 'C' and resid 4765 through 4771 removed outlier: 5.455A pdb=" N MET C4769 " --> pdb=" O LEU C4765 " (cutoff:3.500A) removed outlier: 4.953A pdb=" N SER C4770 " --> pdb=" O THR C4766 " (cutoff:3.500A) removed outlier: 4.695A pdb=" N ILE C4771 " --> pdb=" O TRP C4767 " (cutoff:3.500A) No H-bonds generated for 'chain 'C' and resid 4765 through 4771' Processing helix chain 'C' and resid 4772 through 4786 removed outlier: 3.608A pdb=" N VAL C4782 " --> pdb=" O TRP C4778 " (cutoff:3.500A) removed outlier: 3.908A pdb=" N ILE C4783 " --> pdb=" O LYS C4779 " (cutoff:3.500A) removed outlier: 4.410A pdb=" N PHE C4784 " --> pdb=" O PHE C4780 " (cutoff:3.500A) removed outlier: 4.545A pdb=" N THR C4785 " --> pdb=" O GLY C4781 " (cutoff:3.500A) removed outlier: 4.127A pdb=" N ASP C4786 " --> pdb=" O VAL C4782 " (cutoff:3.500A) Processing helix chain 'C' and resid 4787 through 4804 removed outlier: 4.757A pdb=" N TYR C4804 " --> pdb=" O LEU C4800 " (cutoff:3.500A) Processing helix chain 'C' and resid 4809 through 4819 removed outlier: 4.802A pdb=" N LEU C4813 " --> pdb=" O PHE C4809 " (cutoff:3.500A) removed outlier: 4.548A pdb=" N LEU C4814 " --> pdb=" O ALA C4810 " (cutoff:3.500A) removed outlier: 4.766A pdb=" N GLY C4819 " --> pdb=" O ASP C4815 " (cutoff:3.500A) Processing helix chain 'C' and resid 4820 through 4827 removed outlier: 4.319A pdb=" N ILE C4826 " --> pdb=" O THR C4822 " (cutoff:3.500A) Processing helix chain 'C' and resid 4828 through 4834 removed outlier: 4.103A pdb=" N HIS C4832 " --> pdb=" O SER C4828 " (cutoff:3.500A) removed outlier: 3.706A pdb=" N ASN C4833 " --> pdb=" O SER C4829 " (cutoff:3.500A) removed outlier: 4.304A pdb=" N GLY C4834 " --> pdb=" O VAL C4830 " (cutoff:3.500A) No H-bonds generated for 'chain 'C' and resid 4828 through 4834' Processing helix chain 'C' and resid 4835 through 4859 removed outlier: 4.549A pdb=" N MET C4839 " --> pdb=" O LYS C4835 " (cutoff:3.500A) removed outlier: 4.508A pdb=" N THR C4840 " --> pdb=" O GLN C4836 " (cutoff:3.500A) removed outlier: 4.501A pdb=" N GLY C4842 " --> pdb=" O VAL C4838 " (cutoff:3.500A) removed outlier: 4.923A pdb=" N LEU C4843 " --> pdb=" O MET C4839 " (cutoff:3.500A) removed outlier: 4.152A pdb=" N LEU C4844 " --> pdb=" O THR C4840 " (cutoff:3.500A) removed outlier: 3.689A pdb=" N ASN C4857 " --> pdb=" O VAL C4853 " (cutoff:3.500A) removed outlier: 3.709A pdb=" N PHE C4858 " --> pdb=" O VAL C4854 " (cutoff:3.500A) Processing helix chain 'C' and resid 4878 through 4893 removed outlier: 4.688A pdb=" N VAL C4891 " --> pdb=" O MET C4887 " (cutoff:3.500A) removed outlier: 4.510A pdb=" N ARG C4892 " --> pdb=" O TYR C4888 " (cutoff:3.500A) Processing helix chain 'C' and resid 4897 through 4902 removed outlier: 5.105A pdb=" N GLU C4902 " --> pdb=" O GLY C4898 " (cutoff:3.500A) Processing helix chain 'C' and resid 4909 through 4925 removed outlier: 3.620A pdb=" N VAL C4914 " --> pdb=" O GLU C4910 " (cutoff:3.500A) removed outlier: 4.763A pdb=" N VAL C4915 " --> pdb=" O LEU C4911 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N ILE C4918 " --> pdb=" O VAL C4914 " (cutoff:3.500A) Processing helix chain 'C' and resid 4928 through 4953 removed outlier: 4.061A pdb=" N ILE C4932 " --> pdb=" O LEU C4928 " (cutoff:3.500A) removed outlier: 3.655A pdb=" N ASP C4938 " --> pdb=" O GLY C4934 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N LEU C4943 " --> pdb=" O ALA C4939 " (cutoff:3.500A) removed outlier: 3.702A pdb=" N ARG C4944 " --> pdb=" O PHE C4940 " (cutoff:3.500A) removed outlier: 3.715A pdb=" N GLU C4952 " --> pdb=" O GLU C4948 " (cutoff:3.500A) Processing helix chain 'C' and resid 4964 through 4972 removed outlier: 3.863A pdb=" N PHE C4968 " --> pdb=" O GLY C4964 " (cutoff:3.500A) removed outlier: 4.169A pdb=" N THR C4970 " --> pdb=" O ASP C4966 " (cutoff:3.500A) removed outlier: 4.830A pdb=" N THR C4971 " --> pdb=" O TYR C4967 " (cutoff:3.500A) Proline residue: C4972 - end of helix Processing helix chain 'C' and resid 4973 through 4981 removed outlier: 3.976A pdb=" N LEU C4980 " --> pdb=" O GLU C4976 " (cutoff:3.500A) removed outlier: 4.563A pdb=" N GLU C4981 " --> pdb=" O THR C4977 " (cutoff:3.500A) Processing helix chain 'C' and resid 4986 through 4999 removed outlier: 4.588A pdb=" N PHE C4990 " --> pdb=" O ALA C4986 " (cutoff:3.500A) removed outlier: 5.604A pdb=" N ASP C4999 " --> pdb=" O LEU C4995 " (cutoff:3.500A) Processing helix chain 'C' and resid 5004 through 5017 Processing helix chain 'C' and resid 5028 through 5033 removed outlier: 5.274A pdb=" N TYR C5032 " --> pdb=" O PHE C5028 " (cutoff:3.500A) removed outlier: 4.194A pdb=" N GLU C5033 " --> pdb=" O ARG C5029 " (cutoff:3.500A) No H-bonds generated for 'chain 'C' and resid 5028 through 5033' Processing helix chain 'C' and resid 956 through 961 removed outlier: 4.374A pdb=" N MET C 960 " --> pdb=" O LYS C 957 " (cutoff:3.500A) removed outlier: 4.826A pdb=" N MET C 961 " --> pdb=" O THR C 958 " (cutoff:3.500A) Processing helix chain 'C' and resid 2285 through 2290 removed outlier: 4.386A pdb=" N LEU C2288 " --> pdb=" O GLU C2285 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ALA C2289 " --> pdb=" O LEU C2286 " (cutoff:3.500A) removed outlier: 4.812A pdb=" N LEU C2290 " --> pdb=" O ALA C2287 " (cutoff:3.500A) No H-bonds generated for 'chain 'C' and resid 2285 through 2290' Processing helix chain 'C' and resid 4703 through 4708 removed outlier: 4.029A pdb=" N LEU C4706 " --> pdb=" O ARG C4703 " (cutoff:3.500A) removed outlier: 4.341A pdb=" N ASN C4707 " --> pdb=" O LEU C4704 " (cutoff:3.500A) Processing helix chain 'C' and resid 4709 through 4715 Proline residue: C4712 - end of helix Processing helix chain 'D' and resid 61 through 66 removed outlier: 4.642A pdb=" N CYS D 65 " --> pdb=" O ASP D 61 " (cutoff:3.500A) removed outlier: 3.987A pdb=" N CYS D 66 " --> pdb=" O LEU D 62 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 61 through 66' Processing helix chain 'D' and resid 74 through 84 Processing helix chain 'D' and resid 250 through 256 removed outlier: 6.184A pdb=" N THR D 254 " --> pdb=" O GLY D 250 " (cutoff:3.500A) removed outlier: 5.268A pdb=" N HIS D 255 " --> pdb=" O ALA D 251 " (cutoff:3.500A) removed outlier: 5.137A pdb=" N ALA D 256 " --> pdb=" O VAL D 252 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 250 through 256' Processing helix chain 'D' and resid 364 through 371 removed outlier: 3.957A pdb=" N VAL D 371 " --> pdb=" O LEU D 367 " (cutoff:3.500A) Processing helix chain 'D' and resid 396 through 425 removed outlier: 4.393A pdb=" N GLN D 413 " --> pdb=" O GLY D 409 " (cutoff:3.500A) removed outlier: 3.760A pdb=" N PHE D 414 " --> pdb=" O LEU D 410 " (cutoff:3.500A) removed outlier: 3.812A pdb=" N PHE D 421 " --> pdb=" O GLY D 417 " (cutoff:3.500A) removed outlier: 4.444A pdb=" N GLY D 423 " --> pdb=" O ASP D 419 " (cutoff:3.500A) removed outlier: 4.559A pdb=" N LYS D 424 " --> pdb=" O SER D 420 " (cutoff:3.500A) Proline residue: D 425 - end of helix Processing helix chain 'D' and resid 437 through 453 removed outlier: 4.803A pdb=" N VAL D 441 " --> pdb=" O PRO D 437 " (cutoff:3.500A) removed outlier: 3.629A pdb=" N GLN D 446 " --> pdb=" O ILE D 442 " (cutoff:3.500A) removed outlier: 3.891A pdb=" N PHE D 452 " --> pdb=" O LEU D 448 " (cutoff:3.500A) removed outlier: 5.728A pdb=" N GLU D 453 " --> pdb=" O ILE D 449 " (cutoff:3.500A) Processing helix chain 'D' and resid 461 through 481 removed outlier: 3.666A pdb=" N ARG D 469 " --> pdb=" O GLN D 465 " (cutoff:3.500A) removed outlier: 4.184A pdb=" N GLU D 480 " --> pdb=" O SER D 476 " (cutoff:3.500A) removed outlier: 5.058A pdb=" N GLU D 481 " --> pdb=" O LEU D 477 " (cutoff:3.500A) Processing helix chain 'D' and resid 484 through 496 removed outlier: 3.948A pdb=" N CYS D 490 " --> pdb=" O LEU D 486 " (cutoff:3.500A) removed outlier: 4.682A pdb=" N VAL D 496 " --> pdb=" O ASP D 492 " (cutoff:3.500A) Processing helix chain 'D' and resid 510 through 531 removed outlier: 5.212A pdb=" N SER D 514 " --> pdb=" O GLU D 510 " (cutoff:3.500A) removed outlier: 4.246A pdb=" N TRP D 515 " --> pdb=" O ALA D 511 " (cutoff:3.500A) removed outlier: 4.981A pdb=" N LYS D 516 " --> pdb=" O ALA D 512 " (cutoff:3.500A) removed outlier: 5.342A pdb=" N GLU D 517 " --> pdb=" O GLU D 513 " (cutoff:3.500A) removed outlier: 4.642A pdb=" N ILE D 518 " --> pdb=" O SER D 514 " (cutoff:3.500A) Processing helix chain 'D' and resid 533 through 540 removed outlier: 4.645A pdb=" N CYS D 537 " --> pdb=" O ASN D 533 " (cutoff:3.500A) removed outlier: 3.911A pdb=" N LEU D 539 " --> pdb=" O ALA D 535 " (cutoff:3.500A) removed outlier: 5.258A pdb=" N PHE D 540 " --> pdb=" O ASN D 536 " (cutoff:3.500A) Processing helix chain 'D' and resid 541 through 551 removed outlier: 4.634A pdb=" N ASP D 545 " --> pdb=" O SER D 541 " (cutoff:3.500A) removed outlier: 4.617A pdb=" N TRP D 546 " --> pdb=" O THR D 542 " (cutoff:3.500A) removed outlier: 3.774A pdb=" N VAL D 548 " --> pdb=" O LEU D 544 " (cutoff:3.500A) removed outlier: 4.600A pdb=" N LEU D 551 " --> pdb=" O VAL D 547 " (cutoff:3.500A) Processing helix chain 'D' and resid 555 through 571 removed outlier: 4.103A pdb=" N LEU D 561 " --> pdb=" O SER D 557 " (cutoff:3.500A) removed outlier: 6.080A pdb=" N GLU D 562 " --> pdb=" O SER D 558 " (cutoff:3.500A) removed outlier: 4.964A pdb=" N VAL D 563 " --> pdb=" O GLY D 559 " (cutoff:3.500A) Processing helix chain 'D' and resid 573 through 578 removed outlier: 4.345A pdb=" N ILE D 577 " --> pdb=" O GLU D 573 " (cutoff:3.500A) removed outlier: 4.414A pdb=" N ILE D 578 " --> pdb=" O VAL D 574 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 573 through 578' Processing helix chain 'D' and resid 579 through 594 removed outlier: 6.091A pdb=" N ILE D 583 " --> pdb=" O GLN D 579 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N LEU D 590 " --> pdb=" O ILE D 586 " (cutoff:3.500A) removed outlier: 3.980A pdb=" N ASP D 591 " --> pdb=" O ILE D 587 " (cutoff:3.500A) Processing helix chain 'D' and resid 598 through 609 removed outlier: 4.224A pdb=" N VAL D 602 " --> pdb=" O LYS D 598 " (cutoff:3.500A) removed outlier: 4.377A pdb=" N LEU D 603 " --> pdb=" O VAL D 599 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N CYS D 607 " --> pdb=" O LEU D 603 " (cutoff:3.500A) removed outlier: 4.494A pdb=" N VAL D 608 " --> pdb=" O CYS D 604 " (cutoff:3.500A) removed outlier: 4.551A pdb=" N CYS D 609 " --> pdb=" O SER D 605 " (cutoff:3.500A) Processing helix chain 'D' and resid 614 through 626 removed outlier: 4.328A pdb=" N GLN D 618 " --> pdb=" O VAL D 614 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N THR D 622 " --> pdb=" O GLN D 618 " (cutoff:3.500A) removed outlier: 5.402A pdb=" N LEU D 626 " --> pdb=" O THR D 622 " (cutoff:3.500A) Processing helix chain 'D' and resid 865 through 890 removed outlier: 4.745A pdb=" N ARG D 869 " --> pdb=" O PRO D 865 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N ILE D 870 " --> pdb=" O HIS D 866 " (cutoff:3.500A) removed outlier: 4.020A pdb=" N GLU D 876 " --> pdb=" O GLU D 872 " (cutoff:3.500A) removed outlier: 3.715A pdb=" N ASN D 877 " --> pdb=" O LYS D 873 " (cutoff:3.500A) Processing helix chain 'D' and resid 914 through 936 removed outlier: 4.022A pdb=" N TYR D 920 " --> pdb=" O PRO D 916 " (cutoff:3.500A) removed outlier: 4.694A pdb=" N GLY D 936 " --> pdb=" O LEU D 932 " (cutoff:3.500A) Processing helix chain 'D' and resid 945 through 950 removed outlier: 4.510A pdb=" N ASN D 949 " --> pdb=" O LYS D 945 " (cutoff:3.500A) removed outlier: 4.064A pdb=" N LEU D 950 " --> pdb=" O ALA D 946 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 945 through 950' Processing helix chain 'D' and resid 983 through 1002 removed outlier: 5.244A pdb=" N ARG D 987 " --> pdb=" O THR D 983 " (cutoff:3.500A) Processing helix chain 'D' and resid 1029 through 1050 removed outlier: 5.535A pdb=" N ARG D1033 " --> pdb=" O GLU D1029 " (cutoff:3.500A) removed outlier: 4.643A pdb=" N SER D1034 " --> pdb=" O ALA D1030 " (cutoff:3.500A) removed outlier: 3.806A pdb=" N SER D1038 " --> pdb=" O SER D1034 " (cutoff:3.500A) removed outlier: 4.446A pdb=" N LEU D1039 " --> pdb=" O ASN D1035 " (cutoff:3.500A) removed outlier: 3.761A pdb=" N CYS D1040 " --> pdb=" O ARG D1036 " (cutoff:3.500A) removed outlier: 3.916A pdb=" N GLN D1041 " --> pdb=" O ASP D1037 " (cutoff:3.500A) removed outlier: 3.923A pdb=" N ALA D1042 " --> pdb=" O SER D1038 " (cutoff:3.500A) removed outlier: 3.888A pdb=" N GLY D1050 " --> pdb=" O LEU D1046 " (cutoff:3.500A) Processing helix chain 'D' and resid 1574 through 1581 Processing helix chain 'D' and resid 1649 through 1657 removed outlier: 4.069A pdb=" N LEU D1653 " --> pdb=" O ASP D1649 " (cutoff:3.500A) removed outlier: 4.972A pdb=" N SER D1654 " --> pdb=" O ILE D1650 " (cutoff:3.500A) removed outlier: 5.973A pdb=" N GLU D1655 " --> pdb=" O LEU D1651 " (cutoff:3.500A) removed outlier: 4.293A pdb=" N ARG D1656 " --> pdb=" O GLU D1652 " (cutoff:3.500A) removed outlier: 4.203A pdb=" N LEU D1657 " --> pdb=" O LEU D1653 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 1649 through 1657' Processing helix chain 'D' and resid 1658 through 1675 Processing helix chain 'D' and resid 1679 through 1690 removed outlier: 3.907A pdb=" N ALA D1684 " --> pdb=" O ARG D1680 " (cutoff:3.500A) removed outlier: 3.718A pdb=" N SER D1687 " --> pdb=" O HIS D1683 " (cutoff:3.500A) Processing helix chain 'D' and resid 1692 through 1701 removed outlier: 4.484A pdb=" N GLU D1699 " --> pdb=" O LEU D1695 " (cutoff:3.500A) removed outlier: 4.222A pdb=" N ASP D1700 " --> pdb=" O HIS D1696 " (cutoff:3.500A) removed outlier: 5.880A pdb=" N ALA D1701 " --> pdb=" O ALA D1697 " (cutoff:3.500A) Processing helix chain 'D' and resid 1704 through 1720 removed outlier: 7.151A pdb=" N ARG D1708 " --> pdb=" O PRO D1704 " (cutoff:3.500A) removed outlier: 3.926A pdb=" N ALA D1709 " --> pdb=" O GLY D1705 " (cutoff:3.500A) removed outlier: 3.795A pdb=" N ILE D1718 " --> pdb=" O LEU D1714 " (cutoff:3.500A) removed outlier: 4.300A pdb=" N HIS D1719 " --> pdb=" O LEU D1715 " (cutoff:3.500A) Processing helix chain 'D' and resid 1723 through 1731 removed outlier: 4.161A pdb=" N SER D1729 " --> pdb=" O ARG D1725 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N MET D1730 " --> pdb=" O SER D1726 " (cutoff:3.500A) Processing helix chain 'D' and resid 1739 through 1745 removed outlier: 3.624A pdb=" N ARG D1743 " --> pdb=" O THR D1739 " (cutoff:3.500A) removed outlier: 4.164A pdb=" N ALA D1744 " --> pdb=" O PRO D1740 " (cutoff:3.500A) removed outlier: 4.903A pdb=" N ILE D1745 " --> pdb=" O GLU D1741 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 1739 through 1745' Processing helix chain 'D' and resid 1754 through 1759 removed outlier: 4.356A pdb=" N ARG D1758 " --> pdb=" O GLY D1754 " (cutoff:3.500A) removed outlier: 4.390A pdb=" N ARG D1759 " --> pdb=" O GLY D1755 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 1754 through 1759' Processing helix chain 'D' and resid 1803 through 1825 removed outlier: 3.707A pdb=" N ASP D1809 " --> pdb=" O GLU D1805 " (cutoff:3.500A) removed outlier: 3.660A pdb=" N GLN D1824 " --> pdb=" O ARG D1820 " (cutoff:3.500A) removed outlier: 4.178A pdb=" N HIS D1825 " --> pdb=" O ASP D1821 " (cutoff:3.500A) Processing helix chain 'D' and resid 1833 through 1852 removed outlier: 4.023A pdb=" N GLN D1837 " --> pdb=" O SER D1833 " (cutoff:3.500A) removed outlier: 4.475A pdb=" N PHE D1838 " --> pdb=" O VAL D1834 " (cutoff:3.500A) removed outlier: 4.890A pdb=" N VAL D1839 " --> pdb=" O GLU D1835 " (cutoff:3.500A) Proline residue: D1840 - end of helix removed outlier: 4.662A pdb=" N LYS D1843 " --> pdb=" O VAL D1839 " (cutoff:3.500A) removed outlier: 3.730A pdb=" N VAL D1845 " --> pdb=" O VAL D1841 " (cutoff:3.500A) removed outlier: 3.903A pdb=" N MET D1851 " --> pdb=" O THR D1847 " (cutoff:3.500A) removed outlier: 3.959A pdb=" N GLY D1852 " --> pdb=" O LEU D1848 " (cutoff:3.500A) Processing helix chain 'D' and resid 1855 through 1865 removed outlier: 4.707A pdb=" N VAL D1859 " --> pdb=" O GLY D1855 " (cutoff:3.500A) removed outlier: 4.659A pdb=" N MET D1865 " --> pdb=" O GLN D1861 " (cutoff:3.500A) Processing helix chain 'D' and resid 1866 through 1871 Processing helix chain 'D' and resid 1925 through 1930 removed outlier: 4.561A pdb=" N MET D1929 " --> pdb=" O GLY D1925 " (cutoff:3.500A) removed outlier: 5.339A pdb=" N LYS D1930 " --> pdb=" O LEU D1926 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 1925 through 1930' Processing helix chain 'D' and resid 1934 through 1984 removed outlier: 3.618A pdb=" N TYR D1945 " --> pdb=" O ASN D1941 " (cutoff:3.500A) removed outlier: 3.663A pdb=" N PHE D1946 " --> pdb=" O LEU D1942 " (cutoff:3.500A) removed outlier: 3.925A pdb=" N ARG D1964 " --> pdb=" O ALA D1960 " (cutoff:3.500A) removed outlier: 3.530A pdb=" N TYR D1965 " --> pdb=" O PHE D1961 " (cutoff:3.500A) removed outlier: 4.787A pdb=" N PHE D1984 " --> pdb=" O LEU D1980 " (cutoff:3.500A) Processing helix chain 'D' and resid 1989 through 1997 removed outlier: 4.453A pdb=" N ARG D1993 " --> pdb=" O ALA D1989 " (cutoff:3.500A) removed outlier: 5.042A pdb=" N GLU D1997 " --> pdb=" O ARG D1993 " (cutoff:3.500A) Processing helix chain 'D' and resid 2001 through 2013 removed outlier: 3.795A pdb=" N GLN D2005 " --> pdb=" O PRO D2001 " (cutoff:3.500A) removed outlier: 5.211A pdb=" N ASN D2007 " --> pdb=" O GLN D2003 " (cutoff:3.500A) removed outlier: 4.533A pdb=" N MET D2008 " --> pdb=" O GLU D2004 " (cutoff:3.500A) removed outlier: 4.338A pdb=" N LEU D2009 " --> pdb=" O GLN D2005 " (cutoff:3.500A) removed outlier: 4.832A pdb=" N LEU D2010 " --> pdb=" O ILE D2006 " (cutoff:3.500A) removed outlier: 3.858A pdb=" N HIS D2011 " --> pdb=" O ASN D2007 " (cutoff:3.500A) removed outlier: 4.783A pdb=" N PHE D2012 " --> pdb=" O MET D2008 " (cutoff:3.500A) removed outlier: 4.707A pdb=" N LYS D2013 " --> pdb=" O LEU D2009 " (cutoff:3.500A) Processing helix chain 'D' and resid 2024 through 2043 removed outlier: 4.807A pdb=" N ARG D2028 " --> pdb=" O PRO D2024 " (cutoff:3.500A) removed outlier: 5.168A pdb=" N GLN D2029 " --> pdb=" O GLU D2025 " (cutoff:3.500A) removed outlier: 4.659A pdb=" N ASP D2030 " --> pdb=" O ASP D2026 " (cutoff:3.500A) removed outlier: 3.966A pdb=" N LEU D2031 " --> pdb=" O ILE D2027 " (cutoff:3.500A) removed outlier: 3.509A pdb=" N GLN D2032 " --> pdb=" O ARG D2028 " (cutoff:3.500A) removed outlier: 4.718A pdb=" N GLY D2043 " --> pdb=" O LEU D2039 " (cutoff:3.500A) Processing helix chain 'D' and resid 2093 through 2108 removed outlier: 3.841A pdb=" N TRP D2105 " --> pdb=" O MET D2101 " (cutoff:3.500A) removed outlier: 4.007A pdb=" N ALA D2106 " --> pdb=" O VAL D2102 " (cutoff:3.500A) Processing helix chain 'D' and resid 2113 through 2130 removed outlier: 4.420A pdb=" N GLY D2130 " --> pdb=" O ARG D2126 " (cutoff:3.500A) Processing helix chain 'D' and resid 2131 through 2141 Proline residue: D2139 - end of helix Processing helix chain 'D' and resid 2148 through 2168 removed outlier: 4.284A pdb=" N SER D2154 " --> pdb=" O GLU D2150 " (cutoff:3.500A) removed outlier: 3.988A pdb=" N LEU D2155 " --> pdb=" O ASP D2151 " (cutoff:3.500A) removed outlier: 4.004A pdb=" N ILE D2167 " --> pdb=" O ARG D2163 " (cutoff:3.500A) removed outlier: 4.875A pdb=" N VAL D2168 " --> pdb=" O SER D2164 " (cutoff:3.500A) Processing helix chain 'D' and resid 2171 through 2188 removed outlier: 4.438A pdb=" N LEU D2177 " --> pdb=" O GLN D2173 " (cutoff:3.500A) removed outlier: 3.687A pdb=" N ILE D2179 " --> pdb=" O GLU D2175 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N GLN D2180 " --> pdb=" O ASN D2176 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N ILE D2185 " --> pdb=" O SER D2181 " (cutoff:3.500A) removed outlier: 4.111A pdb=" N MET D2186 " --> pdb=" O ILE D2182 " (cutoff:3.500A) removed outlier: 4.788A pdb=" N ASN D2187 " --> pdb=" O GLY D2183 " (cutoff:3.500A) removed outlier: 5.092A pdb=" N ASN D2188 " --> pdb=" O ASN D2184 " (cutoff:3.500A) Processing helix chain 'D' and resid 2189 through 2195 removed outlier: 4.618A pdb=" N GLN D2193 " --> pdb=" O LYS D2189 " (cutoff:3.500A) Proline residue: D2195 - end of helix Processing helix chain 'D' and resid 2196 through 2202 removed outlier: 4.117A pdb=" N ALA D2200 " --> pdb=" O ASN D2196 " (cutoff:3.500A) Processing helix chain 'D' and resid 2203 through 2216 removed outlier: 3.645A pdb=" N VAL D2210 " --> pdb=" O THR D2206 " (cutoff:3.500A) Processing helix chain 'D' and resid 2227 through 2244 removed outlier: 3.751A pdb=" N SER D2243 " --> pdb=" O PHE D2239 " (cutoff:3.500A) removed outlier: 5.037A pdb=" N ARG D2244 " --> pdb=" O CYS D2240 " (cutoff:3.500A) Processing helix chain 'D' and resid 2245 through 2252 removed outlier: 4.848A pdb=" N ASP D2252 " --> pdb=" O ARG D2248 " (cutoff:3.500A) Processing helix chain 'D' and resid 2253 through 2265 removed outlier: 3.698A pdb=" N ASN D2260 " --> pdb=" O TYR D2256 " (cutoff:3.500A) removed outlier: 3.532A pdb=" N GLY D2262 " --> pdb=" O LEU D2258 " (cutoff:3.500A) removed outlier: 4.603A pdb=" N ILE D2263 " --> pdb=" O GLU D2259 " (cutoff:3.500A) removed outlier: 5.089A pdb=" N LEU D2265 " --> pdb=" O SER D2261 " (cutoff:3.500A) Processing helix chain 'D' and resid 2271 through 2280 removed outlier: 3.641A pdb=" N VAL D2275 " --> pdb=" O THR D2271 " (cutoff:3.500A) removed outlier: 4.683A pdb=" N VAL D2280 " --> pdb=" O ALA D2276 " (cutoff:3.500A) Processing helix chain 'D' and resid 2294 through 2309 removed outlier: 3.828A pdb=" N VAL D2299 " --> pdb=" O LEU D2295 " (cutoff:3.500A) removed outlier: 3.599A pdb=" N LEU D2302 " --> pdb=" O VAL D2298 " (cutoff:3.500A) removed outlier: 4.993A pdb=" N SER D2309 " --> pdb=" O CYS D2305 " (cutoff:3.500A) Processing helix chain 'D' and resid 2310 through 2315 removed outlier: 3.882A pdb=" N ALA D2315 " --> pdb=" O PRO D2311 " (cutoff:3.500A) Processing helix chain 'D' and resid 2324 through 2341 removed outlier: 4.770A pdb=" N LEU D2332 " --> pdb=" O GLY D2328 " (cutoff:3.500A) removed outlier: 5.605A pdb=" N ASP D2333 " --> pdb=" O GLU D2329 " (cutoff:3.500A) removed outlier: 6.517A pdb=" N PHE D2334 " --> pdb=" O ARG D2330 " (cutoff:3.500A) removed outlier: 6.823A pdb=" N LEU D2335 " --> pdb=" O TYR D2331 " (cutoff:3.500A) removed outlier: 3.706A pdb=" N ALA D2338 " --> pdb=" O PHE D2334 " (cutoff:3.500A) removed outlier: 4.978A pdb=" N VAL D2339 " --> pdb=" O LEU D2335 " (cutoff:3.500A) removed outlier: 4.910A pdb=" N PHE D2340 " --> pdb=" O ARG D2336 " (cutoff:3.500A) removed outlier: 6.253A pdb=" N VAL D2341 " --> pdb=" O PHE D2337 " (cutoff:3.500A) Processing helix chain 'D' and resid 2346 through 2360 removed outlier: 4.159A pdb=" N ALA D2350 " --> pdb=" O VAL D2346 " (cutoff:3.500A) removed outlier: 3.923A pdb=" N ILE D2358 " --> pdb=" O VAL D2354 " (cutoff:3.500A) removed outlier: 4.198A pdb=" N ARG D2359 " --> pdb=" O ARG D2355 " (cutoff:3.500A) removed outlier: 4.489A pdb=" N LYS D2360 " --> pdb=" O LEU D2356 " (cutoff:3.500A) Processing helix chain 'D' and resid 2365 through 2371 removed outlier: 5.439A pdb=" N GLU D2371 " --> pdb=" O ALA D2367 " (cutoff:3.500A) Processing helix chain 'D' and resid 2375 through 2390 Proline residue: D2390 - end of helix Processing helix chain 'D' and resid 2417 through 2437 removed outlier: 4.173A pdb=" N ALA D2437 " --> pdb=" O LEU D2433 " (cutoff:3.500A) Processing helix chain 'D' and resid 2440 through 2448 removed outlier: 4.654A pdb=" N GLY D2448 " --> pdb=" O GLN D2444 " (cutoff:3.500A) Processing helix chain 'D' and resid 2449 through 2462 removed outlier: 3.771A pdb=" N ILE D2453 " --> pdb=" O GLU D2449 " (cutoff:3.500A) Proline residue: D2462 - end of helix Processing helix chain 'D' and resid 2464 through 2472 removed outlier: 5.215A pdb=" N GLY D2468 " --> pdb=" O ASP D2464 " (cutoff:3.500A) removed outlier: 3.896A pdb=" N ILE D2469 " --> pdb=" O ASP D2465 " (cutoff:3.500A) removed outlier: 4.270A pdb=" N LEU D2472 " --> pdb=" O GLY D2468 " (cutoff:3.500A) Processing helix chain 'D' and resid 2751 through 2772 removed outlier: 5.084A pdb=" N ILE D2755 " --> pdb=" O LEU D2751 " (cutoff:3.500A) removed outlier: 4.458A pdb=" N ASN D2756 " --> pdb=" O ASP D2752 " (cutoff:3.500A) removed outlier: 4.662A pdb=" N PHE D2758 " --> pdb=" O PHE D2754 " (cutoff:3.500A) removed outlier: 5.454A pdb=" N ALA D2759 " --> pdb=" O ILE D2755 " (cutoff:3.500A) removed outlier: 5.008A pdb=" N GLU D2760 " --> pdb=" O ASN D2756 " (cutoff:3.500A) removed outlier: 6.623A pdb=" N TYR D2761 " --> pdb=" O LYS D2757 " (cutoff:3.500A) removed outlier: 4.745A pdb=" N THR D2762 " --> pdb=" O PHE D2758 " (cutoff:3.500A) removed outlier: 4.143A pdb=" N HIS D2763 " --> pdb=" O ALA D2759 " (cutoff:3.500A) removed outlier: 4.734A pdb=" N GLU D2764 " --> pdb=" O GLU D2760 " (cutoff:3.500A) removed outlier: 3.606A pdb=" N LYS D2765 " --> pdb=" O TYR D2761 " (cutoff:3.500A) removed outlier: 3.839A pdb=" N ALA D2767 " --> pdb=" O HIS D2763 " (cutoff:3.500A) removed outlier: 4.069A pdb=" N PHE D2768 " --> pdb=" O GLU D2764 " (cutoff:3.500A) removed outlier: 4.761A pdb=" N GLN D2772 " --> pdb=" O PHE D2768 " (cutoff:3.500A) Processing helix chain 'D' and resid 2809 through 2816 removed outlier: 4.803A pdb=" N LYS D2814 " --> pdb=" O LYS D2810 " (cutoff:3.500A) removed outlier: 4.454A pdb=" N ALA D2815 " --> pdb=" O GLU D2811 " (cutoff:3.500A) Processing helix chain 'D' and resid 2870 through 2896 removed outlier: 4.074A pdb=" N GLU D2876 " --> pdb=" O GLN D2872 " (cutoff:3.500A) removed outlier: 3.830A pdb=" N ALA D2879 " --> pdb=" O ALA D2875 " (cutoff:3.500A) removed outlier: 4.560A pdb=" N GLU D2880 " --> pdb=" O GLU D2876 " (cutoff:3.500A) removed outlier: 3.697A pdb=" N ASN D2881 " --> pdb=" O GLN D2877 " (cutoff:3.500A) removed outlier: 4.802A pdb=" N TYR D2882 " --> pdb=" O LEU D2878 " (cutoff:3.500A) removed outlier: 5.992A pdb=" N HIS D2883 " --> pdb=" O ALA D2879 " (cutoff:3.500A) removed outlier: 4.590A pdb=" N ASN D2884 " --> pdb=" O GLU D2880 " (cutoff:3.500A) removed outlier: 4.492A pdb=" N THR D2885 " --> pdb=" O ASN D2881 " (cutoff:3.500A) removed outlier: 4.052A pdb=" N GLY D2887 " --> pdb=" O HIS D2883 " (cutoff:3.500A) removed outlier: 4.410A pdb=" N ARG D2888 " --> pdb=" O ASN D2884 " (cutoff:3.500A) removed outlier: 3.964A pdb=" N LYS D2889 " --> pdb=" O THR D2885 " (cutoff:3.500A) removed outlier: 4.792A pdb=" N LYS D2890 " --> pdb=" O TRP D2886 " (cutoff:3.500A) removed outlier: 3.635A pdb=" N GLU D2895 " --> pdb=" O LYS D2891 " (cutoff:3.500A) removed outlier: 3.652A pdb=" N ALA D2896 " --> pdb=" O GLN D2892 " (cutoff:3.500A) Processing helix chain 'D' and resid 2919 through 2932 removed outlier: 6.117A pdb=" N ALA D2923 " --> pdb=" O ASP D2919 " (cutoff:3.500A) removed outlier: 4.154A pdb=" N GLN D2924 " --> pdb=" O ARG D2920 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N LEU D2927 " --> pdb=" O ALA D2923 " (cutoff:3.500A) removed outlier: 3.773A pdb=" N LYS D2928 " --> pdb=" O GLN D2924 " (cutoff:3.500A) removed outlier: 4.734A pdb=" N PHE D2929 " --> pdb=" O GLU D2925 " (cutoff:3.500A) removed outlier: 5.388A pdb=" N LEU D2930 " --> pdb=" O LEU D2926 " (cutoff:3.500A) removed outlier: 3.790A pdb=" N GLN D2931 " --> pdb=" O LEU D2927 " (cutoff:3.500A) removed outlier: 4.986A pdb=" N MET D2932 " --> pdb=" O LYS D2928 " (cutoff:3.500A) Processing helix chain 'D' and resid 3645 through 3656 removed outlier: 4.006A pdb=" N ASN D3651 " --> pdb=" O HIS D3647 " (cutoff:3.500A) removed outlier: 4.226A pdb=" N MET D3652 " --> pdb=" O ARG D3648 " (cutoff:3.500A) removed outlier: 5.433A pdb=" N PHE D3653 " --> pdb=" O ALA D3649 " (cutoff:3.500A) removed outlier: 6.161A pdb=" N LEU D3654 " --> pdb=" O CYS D3650 " (cutoff:3.500A) removed outlier: 4.719A pdb=" N GLU D3655 " --> pdb=" O ASN D3651 " (cutoff:3.500A) removed outlier: 4.872A pdb=" N SER D3656 " --> pdb=" O MET D3652 " (cutoff:3.500A) Processing helix chain 'D' and resid 3669 through 3681 removed outlier: 4.118A pdb=" N MET D3673 " --> pdb=" O PHE D3669 " (cutoff:3.500A) removed outlier: 3.732A pdb=" N ILE D3674 " --> pdb=" O GLU D3670 " (cutoff:3.500A) removed outlier: 4.495A pdb=" N GLY D3681 " --> pdb=" O LEU D3677 " (cutoff:3.500A) Processing helix chain 'D' and resid 3683 through 3688 removed outlier: 4.160A pdb=" N GLU D3688 " --> pdb=" O GLU D3684 " (cutoff:3.500A) Processing helix chain 'D' and resid 3696 through 3711 removed outlier: 4.170A pdb=" N THR D3711 " --> pdb=" O ARG D3707 " (cutoff:3.500A) Processing helix chain 'D' and resid 3719 through 3738 removed outlier: 4.007A pdb=" N ASP D3727 " --> pdb=" O MET D3723 " (cutoff:3.500A) removed outlier: 4.182A pdb=" N ILE D3728 " --> pdb=" O ALA D3724 " (cutoff:3.500A) Processing helix chain 'D' and resid 3754 through 3770 removed outlier: 5.089A pdb=" N MET D3758 " --> pdb=" O GLU D3754 " (cutoff:3.500A) removed outlier: 4.336A pdb=" N GLU D3759 " --> pdb=" O GLU D3755 " (cutoff:3.500A) removed outlier: 3.538A pdb=" N LYS D3760 " --> pdb=" O LYS D3756 " (cutoff:3.500A) removed outlier: 4.145A pdb=" N ARG D3762 " --> pdb=" O MET D3758 " (cutoff:3.500A) removed outlier: 3.910A pdb=" N LEU D3770 " --> pdb=" O GLN D3766 " (cutoff:3.500A) Processing helix chain 'D' and resid 3771 through 3785 removed outlier: 4.130A pdb=" N GLU D3777 " --> pdb=" O ARG D3773 " (cutoff:3.500A) removed outlier: 3.897A pdb=" N VAL D3779 " --> pdb=" O ALA D3775 " (cutoff:3.500A) removed outlier: 5.258A pdb=" N LEU D3780 " --> pdb=" O ALA D3776 " (cutoff:3.500A) removed outlier: 4.170A pdb=" N GLN D3781 " --> pdb=" O GLU D3777 " (cutoff:3.500A) removed outlier: 4.791A pdb=" N ALA D3785 " --> pdb=" O GLN D3781 " (cutoff:3.500A) Processing helix chain 'D' and resid 3791 through 3806 removed outlier: 3.540A pdb=" N LEU D3805 " --> pdb=" O GLY D3801 " (cutoff:3.500A) removed outlier: 4.531A pdb=" N ASN D3806 " --> pdb=" O ILE D3802 " (cutoff:3.500A) Processing helix chain 'D' and resid 3809 through 3824 removed outlier: 4.046A pdb=" N LYS D3824 " --> pdb=" O LEU D3820 " (cutoff:3.500A) Processing helix chain 'D' and resid 3827 through 3839 removed outlier: 4.684A pdb=" N CYS D3839 " --> pdb=" O LEU D3835 " (cutoff:3.500A) Processing helix chain 'D' and resid 3843 through 3857 Processing helix chain 'D' and resid 3861 through 3866 removed outlier: 6.924A pdb=" N VAL D3865 " --> pdb=" O GLU D3861 " (cutoff:3.500A) removed outlier: 6.897A pdb=" N ILE D3866 " --> pdb=" O ASP D3862 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 3861 through 3866' Processing helix chain 'D' and resid 3877 through 3894 removed outlier: 4.256A pdb=" N GLY D3894 " --> pdb=" O LEU D3890 " (cutoff:3.500A) Processing helix chain 'D' and resid 3897 through 3906 removed outlier: 5.879A pdb=" N ASN D3901 " --> pdb=" O ASN D3897 " (cutoff:3.500A) Processing helix chain 'D' and resid 3914 through 3939 removed outlier: 3.771A pdb=" N CYS D3918 " --> pdb=" O ASN D3914 " (cutoff:3.500A) removed outlier: 4.471A pdb=" N GLY D3939 " --> pdb=" O TRP D3935 " (cutoff:3.500A) Processing helix chain 'D' and resid 3944 through 3970 removed outlier: 3.924A pdb=" N GLU D3967 " --> pdb=" O ASN D3963 " (cutoff:3.500A) removed outlier: 4.372A pdb=" N TYR D3968 " --> pdb=" O SER D3964 " (cutoff:3.500A) removed outlier: 3.985A pdb=" N ILE D3969 " --> pdb=" O LEU D3965 " (cutoff:3.500A) Processing helix chain 'D' and resid 3973 through 3984 removed outlier: 4.284A pdb=" N GLN D3977 " --> pdb=" O CYS D3973 " (cutoff:3.500A) removed outlier: 3.998A pdb=" N GLN D3978 " --> pdb=" O THR D3974 " (cutoff:3.500A) removed outlier: 5.470A pdb=" N ARG D3984 " --> pdb=" O LEU D3980 " (cutoff:3.500A) Processing helix chain 'D' and resid 3985 through 4005 removed outlier: 3.664A pdb=" N HIS D3998 " --> pdb=" O HIS D3994 " (cutoff:3.500A) removed outlier: 3.750A pdb=" N MET D4000 " --> pdb=" O PHE D3996 " (cutoff:3.500A) removed outlier: 4.330A pdb=" N MET D4001 " --> pdb=" O ALA D3997 " (cutoff:3.500A) removed outlier: 4.453A pdb=" N ALA D4004 " --> pdb=" O MET D4000 " (cutoff:3.500A) removed outlier: 5.040A pdb=" N GLN D4005 " --> pdb=" O MET D4001 " (cutoff:3.500A) Processing helix chain 'D' and resid 4009 through 4032 removed outlier: 4.950A pdb=" N LEU D4019 " --> pdb=" O GLU D4015 " (cutoff:3.500A) removed outlier: 4.740A pdb=" N GLN D4020 " --> pdb=" O LEU D4016 " (cutoff:3.500A) removed outlier: 4.600A pdb=" N LYS D4021 " --> pdb=" O LEU D4017 " (cutoff:3.500A) removed outlier: 4.434A pdb=" N ASP D4022 " --> pdb=" O ASP D4018 " (cutoff:3.500A) removed outlier: 3.943A pdb=" N LEU D4031 " --> pdb=" O LEU D4027 " (cutoff:3.500A) Processing helix chain 'D' and resid 4039 through 4056 removed outlier: 5.925A pdb=" N GLN D4043 " --> pdb=" O MET D4039 " (cutoff:3.500A) removed outlier: 3.616A pdb=" N LEU D4048 " --> pdb=" O MET D4044 " (cutoff:3.500A) removed outlier: 5.061A pdb=" N SER D4053 " --> pdb=" O VAL D4049 " (cutoff:3.500A) removed outlier: 6.266A pdb=" N ASN D4054 " --> pdb=" O GLU D4050 " (cutoff:3.500A) removed outlier: 3.889A pdb=" N VAL D4055 " --> pdb=" O SER D4051 " (cutoff:3.500A) removed outlier: 4.380A pdb=" N GLU D4056 " --> pdb=" O SER D4052 " (cutoff:3.500A) Processing helix chain 'D' and resid 4057 through 4074 removed outlier: 5.377A pdb=" N LEU D4066 " --> pdb=" O PHE D4062 " (cutoff:3.500A) removed outlier: 4.507A pdb=" N LYS D4067 " --> pdb=" O ASP D4063 " (cutoff:3.500A) removed outlier: 5.482A pdb=" N LYS D4069 " --> pdb=" O PHE D4065 " (cutoff:3.500A) removed outlier: 5.416A pdb=" N ASP D4070 " --> pdb=" O LEU D4066 " (cutoff:3.500A) removed outlier: 5.395A pdb=" N ILE D4071 " --> pdb=" O LYS D4067 " (cutoff:3.500A) removed outlier: 4.881A pdb=" N VAL D4072 " --> pdb=" O LEU D4068 " (cutoff:3.500A) Processing helix chain 'D' and resid 4075 through 4081 removed outlier: 3.805A pdb=" N ASP D4079 " --> pdb=" O GLU D4075 " (cutoff:3.500A) removed outlier: 5.465A pdb=" N TYR D4080 " --> pdb=" O ALA D4076 " (cutoff:3.500A) removed outlier: 4.537A pdb=" N VAL D4081 " --> pdb=" O PHE D4077 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 4075 through 4081' Processing helix chain 'D' and resid 4089 through 4101 removed outlier: 5.227A pdb=" N LYS D4101 " --> pdb=" O MET D4097 " (cutoff:3.500A) Processing helix chain 'D' and resid 4106 through 4116 removed outlier: 3.760A pdb=" N PHE D4110 " --> pdb=" O PRO D4106 " (cutoff:3.500A) removed outlier: 5.119A pdb=" N GLU D4116 " --> pdb=" O LEU D4112 " (cutoff:3.500A) Processing helix chain 'D' and resid 4124 through 4137 removed outlier: 3.896A pdb=" N PHE D4132 " --> pdb=" O PHE D4128 " (cutoff:3.500A) removed outlier: 3.518A pdb=" N GLN D4133 " --> pdb=" O ALA D4129 " (cutoff:3.500A) removed outlier: 4.646A pdb=" N GLU D4134 " --> pdb=" O ASN D4130 " (cutoff:3.500A) Proline residue: D4135 - end of helix Processing helix chain 'D' and resid 4138 through 4155 Proline residue: D4155 - end of helix Processing helix chain 'D' and resid 4157 through 4168 removed outlier: 4.561A pdb=" N GLU D4165 " --> pdb=" O ARG D4161 " (cutoff:3.500A) removed outlier: 4.952A pdb=" N LEU D4166 " --> pdb=" O ASN D4162 " (cutoff:3.500A) removed outlier: 4.376A pdb=" N ALA D4167 " --> pdb=" O PHE D4163 " (cutoff:3.500A) removed outlier: 4.954A pdb=" N GLU D4168 " --> pdb=" O LEU D4164 " (cutoff:3.500A) Processing helix chain 'D' and resid 4169 through 4175 removed outlier: 3.824A pdb=" N ARG D4175 " --> pdb=" O LEU D4171 " (cutoff:3.500A) Processing helix chain 'D' and resid 4198 through 4207 removed outlier: 3.811A pdb=" N GLU D4206 " --> pdb=" O ARG D4202 " (cutoff:3.500A) removed outlier: 5.261A pdb=" N MET D4207 " --> pdb=" O ALA D4203 " (cutoff:3.500A) Processing helix chain 'D' and resid 4208 through 4225 removed outlier: 4.619A pdb=" N SER D4213 " --> pdb=" O GLN D4209 " (cutoff:3.500A) removed outlier: 4.227A pdb=" N LYS D4214 " --> pdb=" O VAL D4210 " (cutoff:3.500A) removed outlier: 3.523A pdb=" N ASP D4220 " --> pdb=" O GLN D4216 " (cutoff:3.500A) removed outlier: 4.472A pdb=" N GLU D4224 " --> pdb=" O ASP D4220 " (cutoff:3.500A) removed outlier: 4.027A pdb=" N GLY D4225 " --> pdb=" O VAL D4221 " (cutoff:3.500A) Processing helix chain 'D' and resid 4227 through 4252 removed outlier: 4.433A pdb=" N MET D4231 " --> pdb=" O GLU D4227 " (cutoff:3.500A) removed outlier: 4.303A pdb=" N GLU D4232 " --> pdb=" O ALA D4228 " (cutoff:3.500A) removed outlier: 3.716A pdb=" N ALA D4249 " --> pdb=" O MET D4245 " (cutoff:3.500A) removed outlier: 4.416A pdb=" N GLN D4250 " --> pdb=" O GLN D4246 " (cutoff:3.500A) removed outlier: 4.426A pdb=" N ILE D4251 " --> pdb=" O ILE D4247 " (cutoff:3.500A) Processing helix chain 'D' and resid 4541 through 4556 removed outlier: 5.069A pdb=" N GLU D4545 " --> pdb=" O TRP D4541 " (cutoff:3.500A) removed outlier: 4.715A pdb=" N VAL D4546 " --> pdb=" O GLY D4542 " (cutoff:3.500A) removed outlier: 4.169A pdb=" N TYR D4554 " --> pdb=" O LYS D4550 " (cutoff:3.500A) removed outlier: 3.895A pdb=" N LEU D4555 " --> pdb=" O PHE D4551 " (cutoff:3.500A) Processing helix chain 'D' and resid 4558 through 4578 removed outlier: 4.072A pdb=" N LEU D4562 " --> pdb=" O ASN D4558 " (cutoff:3.500A) removed outlier: 4.069A pdb=" N PHE D4571 " --> pdb=" O LEU D4567 " (cutoff:3.500A) removed outlier: 4.388A pdb=" N ALA D4572 " --> pdb=" O PHE D4568 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N ILE D4573 " --> pdb=" O LEU D4569 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ASN D4574 " --> pdb=" O ALA D4570 " (cutoff:3.500A) removed outlier: 3.854A pdb=" N LEU D4577 " --> pdb=" O ILE D4573 " (cutoff:3.500A) removed outlier: 5.114A pdb=" N LEU D4578 " --> pdb=" O ASN D4574 " (cutoff:3.500A) Processing helix chain 'D' and resid 4643 through 4684 removed outlier: 4.461A pdb=" N SER D4647 " --> pdb=" O LEU D4643 " (cutoff:3.500A) removed outlier: 4.486A pdb=" N LEU D4648 " --> pdb=" O TRP D4644 " (cutoff:3.500A) removed outlier: 5.923A pdb=" N LEU D4649 " --> pdb=" O CYS D4645 " (cutoff:3.500A) removed outlier: 5.303A pdb=" N HIS D4650 " --> pdb=" O LEU D4646 " (cutoff:3.500A) removed outlier: 4.443A pdb=" N THR D4651 " --> pdb=" O SER D4647 " (cutoff:3.500A) removed outlier: 3.525A pdb=" N LEU D4652 " --> pdb=" O LEU D4648 " (cutoff:3.500A) removed outlier: 4.151A pdb=" N LYS D4665 " --> pdb=" O TYR D4661 " (cutoff:3.500A) removed outlier: 4.859A pdb=" N VAL D4666 " --> pdb=" O ASN D4662 " (cutoff:3.500A) Proline residue: D4667 - end of helix removed outlier: 4.798A pdb=" N GLU D4676 " --> pdb=" O LYS D4672 " (cutoff:3.500A) removed outlier: 4.776A pdb=" N LEU D4677 " --> pdb=" O ARG D4673 " (cutoff:3.500A) removed outlier: 3.688A pdb=" N ALA D4678 " --> pdb=" O GLU D4674 " (cutoff:3.500A) Processing helix chain 'D' and resid 4685 through 4690 removed outlier: 5.305A pdb=" N THR D4689 " --> pdb=" O GLY D4685 " (cutoff:3.500A) removed outlier: 4.622A pdb=" N GLU D4690 " --> pdb=" O LEU D4686 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 4685 through 4690' Processing helix chain 'D' and resid 4696 through 4701 Processing helix chain 'D' and resid 4719 through 4733 removed outlier: 3.529A pdb=" N LYS D4723 " --> pdb=" O PHE D4719 " (cutoff:3.500A) removed outlier: 3.625A pdb=" N LEU D4725 " --> pdb=" O LYS D4721 " (cutoff:3.500A) removed outlier: 4.106A pdb=" N ASP D4726 " --> pdb=" O ARG D4722 " (cutoff:3.500A) removed outlier: 4.775A pdb=" N LYS D4727 " --> pdb=" O LYS D4723 " (cutoff:3.500A) removed outlier: 3.567A pdb=" N HIS D4728 " --> pdb=" O VAL D4724 " (cutoff:3.500A) removed outlier: 4.302A pdb=" N ASP D4730 " --> pdb=" O ASP D4726 " (cutoff:3.500A) removed outlier: 6.356A pdb=" N ILE D4731 " --> pdb=" O LYS D4727 " (cutoff:3.500A) removed outlier: 4.625A pdb=" N PHE D4732 " --> pdb=" O HIS D4728 " (cutoff:3.500A) removed outlier: 4.479A pdb=" N GLY D4733 " --> pdb=" O GLY D4729 " (cutoff:3.500A) Processing helix chain 'D' and resid 4734 through 4742 removed outlier: 4.370A pdb=" N LEU D4740 " --> pdb=" O ARG D4736 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N LEU D4741 " --> pdb=" O ILE D4737 " (cutoff:3.500A) Processing helix chain 'D' and resid 4745 through 4753 removed outlier: 4.319A pdb=" N THR D4751 " --> pdb=" O SER D4747 " (cutoff:3.500A) removed outlier: 3.544A pdb=" N ALA D4752 " --> pdb=" O LEU D4748 " (cutoff:3.500A) Processing helix chain 'D' and resid 4765 through 4771 removed outlier: 5.454A pdb=" N MET D4769 " --> pdb=" O LEU D4765 " (cutoff:3.500A) removed outlier: 4.951A pdb=" N SER D4770 " --> pdb=" O THR D4766 " (cutoff:3.500A) removed outlier: 4.697A pdb=" N ILE D4771 " --> pdb=" O TRP D4767 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 4765 through 4771' Processing helix chain 'D' and resid 4772 through 4786 removed outlier: 3.608A pdb=" N VAL D4782 " --> pdb=" O TRP D4778 " (cutoff:3.500A) removed outlier: 3.907A pdb=" N ILE D4783 " --> pdb=" O LYS D4779 " (cutoff:3.500A) removed outlier: 4.410A pdb=" N PHE D4784 " --> pdb=" O PHE D4780 " (cutoff:3.500A) removed outlier: 4.544A pdb=" N THR D4785 " --> pdb=" O GLY D4781 " (cutoff:3.500A) removed outlier: 4.127A pdb=" N ASP D4786 " --> pdb=" O VAL D4782 " (cutoff:3.500A) Processing helix chain 'D' and resid 4787 through 4804 removed outlier: 4.756A pdb=" N TYR D4804 " --> pdb=" O LEU D4800 " (cutoff:3.500A) Processing helix chain 'D' and resid 4809 through 4819 removed outlier: 4.803A pdb=" N LEU D4813 " --> pdb=" O PHE D4809 " (cutoff:3.500A) removed outlier: 4.548A pdb=" N LEU D4814 " --> pdb=" O ALA D4810 " (cutoff:3.500A) removed outlier: 4.767A pdb=" N GLY D4819 " --> pdb=" O ASP D4815 " (cutoff:3.500A) Processing helix chain 'D' and resid 4820 through 4827 removed outlier: 4.320A pdb=" N ILE D4826 " --> pdb=" O THR D4822 " (cutoff:3.500A) Processing helix chain 'D' and resid 4828 through 4834 removed outlier: 4.104A pdb=" N HIS D4832 " --> pdb=" O SER D4828 " (cutoff:3.500A) removed outlier: 3.706A pdb=" N ASN D4833 " --> pdb=" O SER D4829 " (cutoff:3.500A) removed outlier: 4.303A pdb=" N GLY D4834 " --> pdb=" O VAL D4830 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 4828 through 4834' Processing helix chain 'D' and resid 4835 through 4859 removed outlier: 4.548A pdb=" N MET D4839 " --> pdb=" O LYS D4835 " (cutoff:3.500A) removed outlier: 4.508A pdb=" N THR D4840 " --> pdb=" O GLN D4836 " (cutoff:3.500A) removed outlier: 4.499A pdb=" N GLY D4842 " --> pdb=" O VAL D4838 " (cutoff:3.500A) removed outlier: 4.923A pdb=" N LEU D4843 " --> pdb=" O MET D4839 " (cutoff:3.500A) removed outlier: 4.152A pdb=" N LEU D4844 " --> pdb=" O THR D4840 " (cutoff:3.500A) removed outlier: 3.690A pdb=" N ASN D4857 " --> pdb=" O VAL D4853 " (cutoff:3.500A) removed outlier: 3.710A pdb=" N PHE D4858 " --> pdb=" O VAL D4854 " (cutoff:3.500A) Processing helix chain 'D' and resid 4878 through 4893 removed outlier: 4.687A pdb=" N VAL D4891 " --> pdb=" O MET D4887 " (cutoff:3.500A) removed outlier: 4.510A pdb=" N ARG D4892 " --> pdb=" O TYR D4888 " (cutoff:3.500A) Processing helix chain 'D' and resid 4897 through 4902 removed outlier: 5.105A pdb=" N GLU D4902 " --> pdb=" O GLY D4898 " (cutoff:3.500A) Processing helix chain 'D' and resid 4909 through 4925 removed outlier: 3.621A pdb=" N VAL D4914 " --> pdb=" O GLU D4910 " (cutoff:3.500A) removed outlier: 4.764A pdb=" N VAL D4915 " --> pdb=" O LEU D4911 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N ILE D4918 " --> pdb=" O VAL D4914 " (cutoff:3.500A) Processing helix chain 'D' and resid 4928 through 4953 removed outlier: 4.061A pdb=" N ILE D4932 " --> pdb=" O LEU D4928 " (cutoff:3.500A) removed outlier: 3.655A pdb=" N ASP D4938 " --> pdb=" O GLY D4934 " (cutoff:3.500A) removed outlier: 3.626A pdb=" N LEU D4943 " --> pdb=" O ALA D4939 " (cutoff:3.500A) removed outlier: 3.701A pdb=" N ARG D4944 " --> pdb=" O PHE D4940 " (cutoff:3.500A) removed outlier: 3.716A pdb=" N GLU D4952 " --> pdb=" O GLU D4948 " (cutoff:3.500A) Processing helix chain 'D' and resid 4964 through 4972 removed outlier: 3.862A pdb=" N PHE D4968 " --> pdb=" O GLY D4964 " (cutoff:3.500A) removed outlier: 4.170A pdb=" N THR D4970 " --> pdb=" O ASP D4966 " (cutoff:3.500A) removed outlier: 4.831A pdb=" N THR D4971 " --> pdb=" O TYR D4967 " (cutoff:3.500A) Proline residue: D4972 - end of helix Processing helix chain 'D' and resid 4973 through 4981 removed outlier: 3.976A pdb=" N LEU D4980 " --> pdb=" O GLU D4976 " (cutoff:3.500A) removed outlier: 4.563A pdb=" N GLU D4981 " --> pdb=" O THR D4977 " (cutoff:3.500A) Processing helix chain 'D' and resid 4986 through 4999 removed outlier: 4.588A pdb=" N PHE D4990 " --> pdb=" O ALA D4986 " (cutoff:3.500A) removed outlier: 5.603A pdb=" N ASP D4999 " --> pdb=" O LEU D4995 " (cutoff:3.500A) Processing helix chain 'D' and resid 5004 through 5017 Processing helix chain 'D' and resid 5028 through 5033 removed outlier: 5.273A pdb=" N TYR D5032 " --> pdb=" O PHE D5028 " (cutoff:3.500A) removed outlier: 4.194A pdb=" N GLU D5033 " --> pdb=" O ARG D5029 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 5028 through 5033' Processing helix chain 'D' and resid 956 through 961 removed outlier: 4.374A pdb=" N MET D 960 " --> pdb=" O LYS D 957 " (cutoff:3.500A) removed outlier: 4.826A pdb=" N MET D 961 " --> pdb=" O THR D 958 " (cutoff:3.500A) Processing helix chain 'D' and resid 2285 through 2290 removed outlier: 4.386A pdb=" N LEU D2288 " --> pdb=" O GLU D2285 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ALA D2289 " --> pdb=" O LEU D2286 " (cutoff:3.500A) removed outlier: 4.812A pdb=" N LEU D2290 " --> pdb=" O ALA D2287 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 2285 through 2290' Processing helix chain 'D' and resid 4703 through 4708 removed outlier: 4.030A pdb=" N LEU D4706 " --> pdb=" O ARG D4703 " (cutoff:3.500A) removed outlier: 4.341A pdb=" N ASN D4707 " --> pdb=" O LEU D4704 " (cutoff:3.500A) Processing helix chain 'D' and resid 4709 through 4715 Proline residue: D4712 - end of helix Processing sheet with id= 1, first strand: chain 'A' and resid 47 through 52 removed outlier: 6.550A pdb=" N LYS A 34 " --> pdb=" O THR A 52 " (cutoff:3.500A) removed outlier: 4.360A pdb=" N LEU A 37 " --> pdb=" O LEU A 22 " (cutoff:3.500A) removed outlier: 6.630A pdb=" N LEU A 22 " --> pdb=" O LEU A 37 " (cutoff:3.500A) removed outlier: 12.077A pdb=" N ALA A 39 " --> pdb=" O VAL A 20 " (cutoff:3.500A) removed outlier: 14.947A pdb=" N VAL A 20 " --> pdb=" O ALA A 39 " (cutoff:3.500A) Processing sheet with id= 2, first strand: chain 'A' and resid 105 through 108 removed outlier: 4.622A pdb=" N HIS A 105 " --> pdb=" O MET A 150 " (cutoff:3.500A) Processing sheet with id= 3, first strand: chain 'A' and resid 116 through 120 removed outlier: 3.678A pdb=" N SER A 119 " --> pdb=" O GLY A 136 " (cutoff:3.500A) Processing sheet with id= 4, first strand: chain 'A' and resid 260 through 264 Processing sheet with id= 5, first strand: chain 'A' and resid 314 through 317 removed outlier: 3.881A pdb=" N PHE A 347 " --> pdb=" O ARG A 317 " (cutoff:3.500A) Processing sheet with id= 6, first strand: chain 'A' and resid 355 through 359 removed outlier: 3.684A pdb=" N TRP A 356 " --> pdb=" O HIS A 379 " (cutoff:3.500A) removed outlier: 4.999A pdb=" N THR A 358 " --> pdb=" O ILE A 377 " (cutoff:3.500A) removed outlier: 4.079A pdb=" N ILE A 377 " --> pdb=" O THR A 358 " (cutoff:3.500A) Processing sheet with id= 7, first strand: chain 'A' and resid 682 through 686 Processing sheet with id= 8, first strand: chain 'A' and resid 753 through 759 removed outlier: 8.213A pdb=" N GLY A 660 " --> pdb=" O LEU A 750 " (cutoff:3.500A) removed outlier: 5.779A pdb=" N GLU A 665 " --> pdb=" O LEU A 792 " (cutoff:3.500A) removed outlier: 3.598A pdb=" N LEU A 792 " --> pdb=" O GLU A 665 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N LYS A 788 " --> pdb=" O ASP A 669 " (cutoff:3.500A) Processing sheet with id= 9, first strand: chain 'A' and resid 829 through 833 removed outlier: 4.595A pdb=" N TYR A 829 " --> pdb=" O VAL A 840 " (cutoff:3.500A) removed outlier: 5.812A pdb=" N LEU A1202 " --> pdb=" O PRO A 837 " (cutoff:3.500A) removed outlier: 5.301A pdb=" N GLN A1198 " --> pdb=" O GLY A 841 " (cutoff:3.500A) removed outlier: 6.618A pdb=" N SER A 843 " --> pdb=" O PRO A1196 " (cutoff:3.500A) Processing sheet with id= 10, first strand: chain 'A' and resid 1134 through 1137 removed outlier: 3.583A pdb=" N GLN A1130 " --> pdb=" O ASN A1125 " (cutoff:3.500A) removed outlier: 4.079A pdb=" N VAL A1123 " --> pdb=" O TRP A1132 " (cutoff:3.500A) removed outlier: 3.582A pdb=" N PHE A1124 " --> pdb=" O VAL A1102 " (cutoff:3.500A) removed outlier: 3.630A pdb=" N VAL A1102 " --> pdb=" O PHE A1124 " (cutoff:3.500A) removed outlier: 5.998A pdb=" N MET A1100 " --> pdb=" O GLY A1126 " (cutoff:3.500A) removed outlier: 6.431A pdb=" N GLU A1099 " --> pdb=" O GLY A1195 " (cutoff:3.500A) removed outlier: 3.798A pdb=" N ALA A1077 " --> pdb=" O PRO A1190 " (cutoff:3.500A) removed outlier: 9.788A pdb=" N VAL A1072 " --> pdb=" O SER A1241 " (cutoff:3.500A) removed outlier: 6.556A pdb=" N SER A1241 " --> pdb=" O VAL A1072 " (cutoff:3.500A) removed outlier: 4.896A pdb=" N ILE A1074 " --> pdb=" O SER A1239 " (cutoff:3.500A) Processing sheet with id= 11, first strand: chain 'A' and resid 1255 through 1264 removed outlier: 7.924A pdb=" N TYR A1255 " --> pdb=" O HIS A1274 " (cutoff:3.500A) removed outlier: 7.300A pdb=" N HIS A1274 " --> pdb=" O TYR A1255 " (cutoff:3.500A) removed outlier: 6.857A pdb=" N VAL A1257 " --> pdb=" O LEU A1272 " (cutoff:3.500A) removed outlier: 7.258A pdb=" N LEU A1272 " --> pdb=" O VAL A1257 " (cutoff:3.500A) removed outlier: 8.013A pdb=" N ARG A1259 " --> pdb=" O LEU A1270 " (cutoff:3.500A) removed outlier: 8.105A pdb=" N LEU A1270 " --> pdb=" O ARG A1259 " (cutoff:3.500A) removed outlier: 8.411A pdb=" N ASP A1261 " --> pdb=" O PRO A1268 " (cutoff:3.500A) removed outlier: 3.860A pdb=" N THR A1266 " --> pdb=" O THR A1263 " (cutoff:3.500A) Processing sheet with id= 12, first strand: chain 'A' and resid 4579 through 4584 removed outlier: 5.663A pdb=" N PHE A4579 " --> pdb=" O LEU A4632 " (cutoff:3.500A) removed outlier: 3.501A pdb=" N LEU A4632 " --> pdb=" O PHE A4579 " (cutoff:3.500A) Processing sheet with id= 13, first strand: chain 'B' and resid 47 through 52 removed outlier: 6.550A pdb=" N LYS B 34 " --> pdb=" O THR B 52 " (cutoff:3.500A) removed outlier: 4.361A pdb=" N LEU B 37 " --> pdb=" O LEU B 22 " (cutoff:3.500A) removed outlier: 6.631A pdb=" N LEU B 22 " --> pdb=" O LEU B 37 " (cutoff:3.500A) removed outlier: 12.077A pdb=" N ALA B 39 " --> pdb=" O VAL B 20 " (cutoff:3.500A) removed outlier: 14.947A pdb=" N VAL B 20 " --> pdb=" O ALA B 39 " (cutoff:3.500A) Processing sheet with id= 14, first strand: chain 'B' and resid 105 through 108 removed outlier: 4.622A pdb=" N HIS B 105 " --> pdb=" O MET B 150 " (cutoff:3.500A) Processing sheet with id= 15, first strand: chain 'B' and resid 116 through 120 removed outlier: 3.678A pdb=" N SER B 119 " --> pdb=" O GLY B 136 " (cutoff:3.500A) Processing sheet with id= 16, first strand: chain 'B' and resid 260 through 264 Processing sheet with id= 17, first strand: chain 'B' and resid 314 through 317 removed outlier: 3.881A pdb=" N PHE B 347 " --> pdb=" O ARG B 317 " (cutoff:3.500A) Processing sheet with id= 18, first strand: chain 'B' and resid 355 through 359 removed outlier: 3.685A pdb=" N TRP B 356 " --> pdb=" O HIS B 379 " (cutoff:3.500A) removed outlier: 4.999A pdb=" N THR B 358 " --> pdb=" O ILE B 377 " (cutoff:3.500A) removed outlier: 4.079A pdb=" N ILE B 377 " --> pdb=" O THR B 358 " (cutoff:3.500A) Processing sheet with id= 19, first strand: chain 'B' and resid 682 through 686 Processing sheet with id= 20, first strand: chain 'B' and resid 753 through 759 removed outlier: 8.213A pdb=" N GLY B 660 " --> pdb=" O LEU B 750 " (cutoff:3.500A) removed outlier: 5.780A pdb=" N GLU B 665 " --> pdb=" O LEU B 792 " (cutoff:3.500A) removed outlier: 3.598A pdb=" N LEU B 792 " --> pdb=" O GLU B 665 " (cutoff:3.500A) removed outlier: 7.115A pdb=" N LYS B 788 " --> pdb=" O ASP B 669 " (cutoff:3.500A) Processing sheet with id= 21, first strand: chain 'B' and resid 829 through 833 removed outlier: 4.596A pdb=" N TYR B 829 " --> pdb=" O VAL B 840 " (cutoff:3.500A) removed outlier: 5.811A pdb=" N LEU B1202 " --> pdb=" O PRO B 837 " (cutoff:3.500A) removed outlier: 5.301A pdb=" N GLN B1198 " --> pdb=" O GLY B 841 " (cutoff:3.500A) removed outlier: 6.618A pdb=" N SER B 843 " --> pdb=" O PRO B1196 " (cutoff:3.500A) Processing sheet with id= 22, first strand: chain 'B' and resid 1134 through 1137 removed outlier: 3.583A pdb=" N GLN B1130 " --> pdb=" O ASN B1125 " (cutoff:3.500A) removed outlier: 4.078A pdb=" N VAL B1123 " --> pdb=" O TRP B1132 " (cutoff:3.500A) removed outlier: 3.582A pdb=" N PHE B1124 " --> pdb=" O VAL B1102 " (cutoff:3.500A) removed outlier: 3.630A pdb=" N VAL B1102 " --> pdb=" O PHE B1124 " (cutoff:3.500A) removed outlier: 5.998A pdb=" N MET B1100 " --> pdb=" O GLY B1126 " (cutoff:3.500A) removed outlier: 6.432A pdb=" N GLU B1099 " --> pdb=" O GLY B1195 " (cutoff:3.500A) removed outlier: 3.798A pdb=" N ALA B1077 " --> pdb=" O PRO B1190 " (cutoff:3.500A) removed outlier: 9.789A pdb=" N VAL B1072 " --> pdb=" O SER B1241 " (cutoff:3.500A) removed outlier: 6.555A pdb=" N SER B1241 " --> pdb=" O VAL B1072 " (cutoff:3.500A) removed outlier: 4.898A pdb=" N ILE B1074 " --> pdb=" O SER B1239 " (cutoff:3.500A) Processing sheet with id= 23, first strand: chain 'B' and resid 1255 through 1264 removed outlier: 7.924A pdb=" N TYR B1255 " --> pdb=" O HIS B1274 " (cutoff:3.500A) removed outlier: 7.300A pdb=" N HIS B1274 " --> pdb=" O TYR B1255 " (cutoff:3.500A) removed outlier: 6.858A pdb=" N VAL B1257 " --> pdb=" O LEU B1272 " (cutoff:3.500A) removed outlier: 7.258A pdb=" N LEU B1272 " --> pdb=" O VAL B1257 " (cutoff:3.500A) removed outlier: 8.013A pdb=" N ARG B1259 " --> pdb=" O LEU B1270 " (cutoff:3.500A) removed outlier: 8.105A pdb=" N LEU B1270 " --> pdb=" O ARG B1259 " (cutoff:3.500A) removed outlier: 8.411A pdb=" N ASP B1261 " --> pdb=" O PRO B1268 " (cutoff:3.500A) removed outlier: 3.860A pdb=" N THR B1266 " --> pdb=" O THR B1263 " (cutoff:3.500A) Processing sheet with id= 24, first strand: chain 'B' and resid 4579 through 4584 removed outlier: 5.663A pdb=" N PHE B4579 " --> pdb=" O LEU B4632 " (cutoff:3.500A) removed outlier: 3.501A pdb=" N LEU B4632 " --> pdb=" O PHE B4579 " (cutoff:3.500A) Processing sheet with id= 25, first strand: chain 'C' and resid 47 through 52 removed outlier: 6.550A pdb=" N LYS C 34 " --> pdb=" O THR C 52 " (cutoff:3.500A) removed outlier: 4.360A pdb=" N LEU C 37 " --> pdb=" O LEU C 22 " (cutoff:3.500A) removed outlier: 6.630A pdb=" N LEU C 22 " --> pdb=" O LEU C 37 " (cutoff:3.500A) removed outlier: 12.077A pdb=" N ALA C 39 " --> pdb=" O VAL C 20 " (cutoff:3.500A) removed outlier: 14.947A pdb=" N VAL C 20 " --> pdb=" O ALA C 39 " (cutoff:3.500A) Processing sheet with id= 26, first strand: chain 'C' and resid 105 through 108 removed outlier: 4.622A pdb=" N HIS C 105 " --> pdb=" O MET C 150 " (cutoff:3.500A) Processing sheet with id= 27, first strand: chain 'C' and resid 116 through 120 removed outlier: 3.677A pdb=" N SER C 119 " --> pdb=" O GLY C 136 " (cutoff:3.500A) Processing sheet with id= 28, first strand: chain 'C' and resid 260 through 264 Processing sheet with id= 29, first strand: chain 'C' and resid 314 through 317 removed outlier: 3.881A pdb=" N PHE C 347 " --> pdb=" O ARG C 317 " (cutoff:3.500A) Processing sheet with id= 30, first strand: chain 'C' and resid 355 through 359 removed outlier: 3.685A pdb=" N TRP C 356 " --> pdb=" O HIS C 379 " (cutoff:3.500A) removed outlier: 5.000A pdb=" N THR C 358 " --> pdb=" O ILE C 377 " (cutoff:3.500A) removed outlier: 4.079A pdb=" N ILE C 377 " --> pdb=" O THR C 358 " (cutoff:3.500A) Processing sheet with id= 31, first strand: chain 'C' and resid 682 through 686 Processing sheet with id= 32, first strand: chain 'C' and resid 753 through 759 removed outlier: 8.213A pdb=" N GLY C 660 " --> pdb=" O LEU C 750 " (cutoff:3.500A) removed outlier: 5.780A pdb=" N GLU C 665 " --> pdb=" O LEU C 792 " (cutoff:3.500A) removed outlier: 3.598A pdb=" N LEU C 792 " --> pdb=" O GLU C 665 " (cutoff:3.500A) removed outlier: 7.114A pdb=" N LYS C 788 " --> pdb=" O ASP C 669 " (cutoff:3.500A) Processing sheet with id= 33, first strand: chain 'C' and resid 829 through 833 removed outlier: 4.596A pdb=" N TYR C 829 " --> pdb=" O VAL C 840 " (cutoff:3.500A) removed outlier: 5.812A pdb=" N LEU C1202 " --> pdb=" O PRO C 837 " (cutoff:3.500A) removed outlier: 5.302A pdb=" N GLN C1198 " --> pdb=" O GLY C 841 " (cutoff:3.500A) removed outlier: 6.618A pdb=" N SER C 843 " --> pdb=" O PRO C1196 " (cutoff:3.500A) Processing sheet with id= 34, first strand: chain 'C' and resid 1134 through 1137 removed outlier: 3.582A pdb=" N GLN C1130 " --> pdb=" O ASN C1125 " (cutoff:3.500A) removed outlier: 4.078A pdb=" N VAL C1123 " --> pdb=" O TRP C1132 " (cutoff:3.500A) removed outlier: 3.583A pdb=" N PHE C1124 " --> pdb=" O VAL C1102 " (cutoff:3.500A) removed outlier: 3.629A pdb=" N VAL C1102 " --> pdb=" O PHE C1124 " (cutoff:3.500A) removed outlier: 5.998A pdb=" N MET C1100 " --> pdb=" O GLY C1126 " (cutoff:3.500A) removed outlier: 6.432A pdb=" N GLU C1099 " --> pdb=" O GLY C1195 " (cutoff:3.500A) removed outlier: 3.798A pdb=" N ALA C1077 " --> pdb=" O PRO C1190 " (cutoff:3.500A) removed outlier: 9.788A pdb=" N VAL C1072 " --> pdb=" O SER C1241 " (cutoff:3.500A) removed outlier: 6.555A pdb=" N SER C1241 " --> pdb=" O VAL C1072 " (cutoff:3.500A) removed outlier: 4.898A pdb=" N ILE C1074 " --> pdb=" O SER C1239 " (cutoff:3.500A) Processing sheet with id= 35, first strand: chain 'C' and resid 1255 through 1264 removed outlier: 7.925A pdb=" N TYR C1255 " --> pdb=" O HIS C1274 " (cutoff:3.500A) removed outlier: 7.300A pdb=" N HIS C1274 " --> pdb=" O TYR C1255 " (cutoff:3.500A) removed outlier: 6.857A pdb=" N VAL C1257 " --> pdb=" O LEU C1272 " (cutoff:3.500A) removed outlier: 7.258A pdb=" N LEU C1272 " --> pdb=" O VAL C1257 " (cutoff:3.500A) removed outlier: 8.014A pdb=" N ARG C1259 " --> pdb=" O LEU C1270 " (cutoff:3.500A) removed outlier: 8.106A pdb=" N LEU C1270 " --> pdb=" O ARG C1259 " (cutoff:3.500A) removed outlier: 8.411A pdb=" N ASP C1261 " --> pdb=" O PRO C1268 " (cutoff:3.500A) removed outlier: 3.859A pdb=" N THR C1266 " --> pdb=" O THR C1263 " (cutoff:3.500A) Processing sheet with id= 36, first strand: chain 'C' and resid 4579 through 4584 removed outlier: 5.663A pdb=" N PHE C4579 " --> pdb=" O LEU C4632 " (cutoff:3.500A) removed outlier: 3.501A pdb=" N LEU C4632 " --> pdb=" O PHE C4579 " (cutoff:3.500A) Processing sheet with id= 37, first strand: chain 'D' and resid 47 through 52 removed outlier: 6.549A pdb=" N LYS D 34 " --> pdb=" O THR D 52 " (cutoff:3.500A) removed outlier: 4.360A pdb=" N LEU D 37 " --> pdb=" O LEU D 22 " (cutoff:3.500A) removed outlier: 6.631A pdb=" N LEU D 22 " --> pdb=" O LEU D 37 " (cutoff:3.500A) removed outlier: 12.078A pdb=" N ALA D 39 " --> pdb=" O VAL D 20 " (cutoff:3.500A) removed outlier: 14.946A pdb=" N VAL D 20 " --> pdb=" O ALA D 39 " (cutoff:3.500A) Processing sheet with id= 38, first strand: chain 'D' and resid 105 through 108 removed outlier: 4.622A pdb=" N HIS D 105 " --> pdb=" O MET D 150 " (cutoff:3.500A) Processing sheet with id= 39, first strand: chain 'D' and resid 116 through 120 removed outlier: 3.678A pdb=" N SER D 119 " --> pdb=" O GLY D 136 " (cutoff:3.500A) Processing sheet with id= 40, first strand: chain 'D' and resid 260 through 264 Processing sheet with id= 41, first strand: chain 'D' and resid 314 through 317 removed outlier: 3.881A pdb=" N PHE D 347 " --> pdb=" O ARG D 317 " (cutoff:3.500A) Processing sheet with id= 42, first strand: chain 'D' and resid 355 through 359 removed outlier: 3.684A pdb=" N TRP D 356 " --> pdb=" O HIS D 379 " (cutoff:3.500A) removed outlier: 5.000A pdb=" N THR D 358 " --> pdb=" O ILE D 377 " (cutoff:3.500A) removed outlier: 4.079A pdb=" N ILE D 377 " --> pdb=" O THR D 358 " (cutoff:3.500A) Processing sheet with id= 43, first strand: chain 'D' and resid 682 through 686 Processing sheet with id= 44, first strand: chain 'D' and resid 753 through 759 removed outlier: 8.213A pdb=" N GLY D 660 " --> pdb=" O LEU D 750 " (cutoff:3.500A) removed outlier: 5.779A pdb=" N GLU D 665 " --> pdb=" O LEU D 792 " (cutoff:3.500A) removed outlier: 3.598A pdb=" N LEU D 792 " --> pdb=" O GLU D 665 " (cutoff:3.500A) removed outlier: 7.115A pdb=" N LYS D 788 " --> pdb=" O ASP D 669 " (cutoff:3.500A) Processing sheet with id= 45, first strand: chain 'D' and resid 829 through 833 removed outlier: 4.597A pdb=" N TYR D 829 " --> pdb=" O VAL D 840 " (cutoff:3.500A) removed outlier: 5.811A pdb=" N LEU D1202 " --> pdb=" O PRO D 837 " (cutoff:3.500A) removed outlier: 5.301A pdb=" N GLN D1198 " --> pdb=" O GLY D 841 " (cutoff:3.500A) removed outlier: 6.619A pdb=" N SER D 843 " --> pdb=" O PRO D1196 " (cutoff:3.500A) Processing sheet with id= 46, first strand: chain 'D' and resid 1134 through 1137 removed outlier: 3.583A pdb=" N GLN D1130 " --> pdb=" O ASN D1125 " (cutoff:3.500A) removed outlier: 4.078A pdb=" N VAL D1123 " --> pdb=" O TRP D1132 " (cutoff:3.500A) removed outlier: 3.582A pdb=" N PHE D1124 " --> pdb=" O VAL D1102 " (cutoff:3.500A) removed outlier: 3.629A pdb=" N VAL D1102 " --> pdb=" O PHE D1124 " (cutoff:3.500A) removed outlier: 5.999A pdb=" N MET D1100 " --> pdb=" O GLY D1126 " (cutoff:3.500A) removed outlier: 6.431A pdb=" N GLU D1099 " --> pdb=" O GLY D1195 " (cutoff:3.500A) removed outlier: 3.798A pdb=" N ALA D1077 " --> pdb=" O PRO D1190 " (cutoff:3.500A) removed outlier: 9.789A pdb=" N VAL D1072 " --> pdb=" O SER D1241 " (cutoff:3.500A) removed outlier: 6.556A pdb=" N SER D1241 " --> pdb=" O VAL D1072 " (cutoff:3.500A) removed outlier: 4.898A pdb=" N ILE D1074 " --> pdb=" O SER D1239 " (cutoff:3.500A) Processing sheet with id= 47, first strand: chain 'D' and resid 1255 through 1264 removed outlier: 7.924A pdb=" N TYR D1255 " --> pdb=" O HIS D1274 " (cutoff:3.500A) removed outlier: 7.300A pdb=" N HIS D1274 " --> pdb=" O TYR D1255 " (cutoff:3.500A) removed outlier: 6.857A pdb=" N VAL D1257 " --> pdb=" O LEU D1272 " (cutoff:3.500A) removed outlier: 7.258A pdb=" N LEU D1272 " --> pdb=" O VAL D1257 " (cutoff:3.500A) removed outlier: 8.013A pdb=" N ARG D1259 " --> pdb=" O LEU D1270 " (cutoff:3.500A) removed outlier: 8.105A pdb=" N LEU D1270 " --> pdb=" O ARG D1259 " (cutoff:3.500A) removed outlier: 8.412A pdb=" N ASP D1261 " --> pdb=" O PRO D1268 " (cutoff:3.500A) removed outlier: 3.859A pdb=" N THR D1266 " --> pdb=" O THR D1263 " (cutoff:3.500A) Processing sheet with id= 48, first strand: chain 'D' and resid 4579 through 4584 removed outlier: 5.664A pdb=" N PHE D4579 " --> pdb=" O LEU D4632 " (cutoff:3.500A) removed outlier: 3.501A pdb=" N LEU D4632 " --> pdb=" O PHE D4579 " (cutoff:3.500A) 3888 hydrogen bonds defined for protein. 11604 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: 54.66 Time building geometry restraints manager: 36.85 seconds NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Histogram of bond lengths: 1.20 - 1.33: 22824 1.33 - 1.45: 28316 1.45 - 1.58: 67548 1.58 - 1.70: 32 1.70 - 1.82: 1004 Bond restraints: 119724 Sorted by residual: bond pdb=" O2B ACP B5104 " pdb=" PB ACP B5104 " ideal model delta sigma weight residual 1.507 1.606 -0.099 2.00e-02 2.50e+03 2.47e+01 bond pdb=" O3A ACP C5104 " pdb=" PB ACP C5104 " ideal model delta sigma weight residual 1.698 1.599 0.099 2.00e-02 2.50e+03 2.44e+01 bond pdb=" O2B ACP A5104 " pdb=" PB ACP A5104 " ideal model delta sigma weight residual 1.507 1.605 -0.098 2.00e-02 2.50e+03 2.42e+01 bond pdb=" O2B ACP D5104 " pdb=" PB ACP D5104 " ideal model delta sigma weight residual 1.507 1.605 -0.098 2.00e-02 2.50e+03 2.42e+01 bond pdb=" O3A ACP D5104 " pdb=" PB ACP D5104 " ideal model delta sigma weight residual 1.698 1.601 0.097 2.00e-02 2.50e+03 2.38e+01 ... (remaining 119719 not shown) Histogram of bond angle deviations from ideal: 98.74 - 106.32: 3140 106.32 - 113.89: 66563 113.89 - 121.47: 61137 121.47 - 129.05: 31732 129.05 - 136.62: 752 Bond angle restraints: 163324 Sorted by residual: angle pdb=" N ILE B1866 " pdb=" CA ILE B1866 " pdb=" C ILE B1866 " ideal model delta sigma weight residual 112.90 106.81 6.09 9.60e-01 1.09e+00 4.03e+01 angle pdb=" N ILE A1866 " pdb=" CA ILE A1866 " pdb=" C ILE A1866 " ideal model delta sigma weight residual 112.90 106.84 6.06 9.60e-01 1.09e+00 3.99e+01 angle pdb=" N ILE D1866 " pdb=" CA ILE D1866 " pdb=" C ILE D1866 " ideal model delta sigma weight residual 112.90 106.86 6.04 9.60e-01 1.09e+00 3.96e+01 angle pdb=" N ILE C1866 " pdb=" CA ILE C1866 " pdb=" C ILE C1866 " ideal model delta sigma weight residual 112.90 106.88 6.02 9.60e-01 1.09e+00 3.94e+01 angle pdb=" C VAL A3995 " pdb=" N PHE A3996 " pdb=" CA PHE A3996 " ideal model delta sigma weight residual 122.38 114.01 8.37 1.81e+00 3.05e-01 2.14e+01 ... (remaining 163319 not shown) Histogram of dihedral angle deviations from ideal: 0.00 - 28.04: 68762 28.04 - 56.09: 2457 56.09 - 84.13: 241 84.13 - 112.17: 31 112.17 - 140.21: 1 Dihedral angle restraints: 71492 sinusoidal: 22944 harmonic: 48548 Sorted by residual: dihedral pdb=" CA GLN D 460 " pdb=" C GLN D 460 " pdb=" N HIS D 461 " pdb=" CA HIS D 461 " ideal model delta harmonic sigma weight residual -180.00 -150.58 -29.42 0 5.00e+00 4.00e-02 3.46e+01 dihedral pdb=" CA GLN B 460 " pdb=" C GLN B 460 " pdb=" N HIS B 461 " pdb=" CA HIS B 461 " ideal model delta harmonic sigma weight residual -180.00 -150.59 -29.41 0 5.00e+00 4.00e-02 3.46e+01 dihedral pdb=" CA GLN C 460 " pdb=" C GLN C 460 " pdb=" N HIS C 461 " pdb=" CA HIS C 461 " ideal model delta harmonic sigma weight residual -180.00 -150.59 -29.41 0 5.00e+00 4.00e-02 3.46e+01 ... (remaining 71489 not shown) Histogram of chiral volume deviations from ideal: 0.000 - 0.052: 15704 0.052 - 0.103: 2875 0.103 - 0.155: 487 0.155 - 0.206: 46 0.206 - 0.258: 4 Chirality restraints: 19116 Sorted by residual: chirality pdb=" CB VAL C4705 " pdb=" CA VAL C4705 " pdb=" CG1 VAL C4705 " pdb=" CG2 VAL C4705 " both_signs ideal model delta sigma weight residual False -2.63 -2.37 -0.26 2.00e-01 2.50e+01 1.66e+00 chirality pdb=" CB VAL D4705 " pdb=" CA VAL D4705 " pdb=" CG1 VAL D4705 " pdb=" CG2 VAL D4705 " both_signs ideal model delta sigma weight residual False -2.63 -2.37 -0.26 2.00e-01 2.50e+01 1.65e+00 chirality pdb=" CB VAL B4705 " pdb=" CA VAL B4705 " pdb=" CG1 VAL B4705 " pdb=" CG2 VAL B4705 " both_signs ideal model delta sigma weight residual False -2.63 -2.37 -0.26 2.00e-01 2.50e+01 1.63e+00 ... (remaining 19113 not shown) Planarity restraints: 21488 Sorted by residual: delta sigma weight rms_deltas residual plane pdb=" C ASP D3696 " 0.048 5.00e-02 4.00e+02 7.26e-02 8.43e+00 pdb=" N PRO D3697 " -0.126 5.00e-02 4.00e+02 pdb=" CA PRO D3697 " 0.037 5.00e-02 4.00e+02 pdb=" CD PRO D3697 " 0.040 5.00e-02 4.00e+02 delta sigma weight rms_deltas residual plane pdb=" C ASP A3696 " -0.048 5.00e-02 4.00e+02 7.26e-02 8.43e+00 pdb=" N PRO A3697 " 0.126 5.00e-02 4.00e+02 pdb=" CA PRO A3697 " -0.037 5.00e-02 4.00e+02 pdb=" CD PRO A3697 " -0.040 5.00e-02 4.00e+02 delta sigma weight rms_deltas residual plane pdb=" C ASP B3696 " -0.048 5.00e-02 4.00e+02 7.26e-02 8.43e+00 pdb=" N PRO B3697 " 0.126 5.00e-02 4.00e+02 pdb=" CA PRO B3697 " -0.037 5.00e-02 4.00e+02 pdb=" CD PRO B3697 " -0.040 5.00e-02 4.00e+02 ... (remaining 21485 not shown) Histogram of nonbonded interaction distances: 2.25 - 2.78: 28510 2.78 - 3.31: 104840 3.31 - 3.84: 183930 3.84 - 4.37: 188817 4.37 - 4.90: 328160 Nonbonded interactions: 834257 Sorted by model distance: nonbonded pdb=" OD1 ASP A 749 " pdb=" OG SER A 751 " model vdw 2.254 2.440 nonbonded pdb=" OD2 ASP C 749 " pdb=" OG SER C 751 " model vdw 2.254 2.440 nonbonded pdb=" OD2 ASP B 749 " pdb=" OG SER B 751 " model vdw 2.254 2.440 nonbonded pdb=" OD1 ASP D 749 " pdb=" OG SER D 751 " model vdw 2.254 2.440 nonbonded pdb=" O LEU C4048 " pdb=" OG SER C4052 " model vdw 2.273 2.440 ... (remaining 834252 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 'B' selection = chain 'C' selection = chain 'D' } Set up NCS constraints No NCS constraints will be used in refinement. Set refine NCS operators Adjust number of macro_cycles Number of macro_cycles: 10 Reset NCS operators Extract rigid body selections Check and reset occupancies Occupancies: min=1.00 max=1.00 mean=1.00 Load rotamer database and sin/cos tables Set ADP refinement strategy ADPs will be refined as group one per residue Make a string to write initial .geo file Internal consistency checks Time: Set random seed: 0.000 Set model cs if undefined: 0.000 Decide on map wrapping: 0.000 Normalize map: mean=0, sd=1: 3.930 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: 19.800 Check model and map are aligned: 1.260 Set scattering table: 0.790 Process input model: 262.800 Find NCS groups from input model: 5.650 Set up NCS constraints: 0.580 Set refine NCS operators: 0.000 Adjust number of macro_cycles: 0.000 Reset NCS operators: 0.000 Extract rigid body selections: 0.000 Check and reset occupancies: 0.020 Load rotamer database and sin/cos tables:2.270 Set ADP refinement strategy: 0.000 Make a string to write initial .geo file:0.000 Internal consistency checks: 0.000 Total: 297.210 ------------------------------------------------------------------------------- Set refinement monitor ********************** ------------------------------------------------------------------------------- Setup refinement engine *********************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.6779 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 : 0.003 0.099 119724 Z= 0.205 Angle : 0.771 13.482 163324 Z= 0.401 Chirality : 0.041 0.258 19116 Planarity : 0.004 0.073 21488 Dihedral : 13.850 140.214 39908 Min Nonbonded Distance : 2.254 Molprobity Statistics. All-atom Clashscore : 4.64 Ramachandran Plot: Outliers : 0.03 % Allowed : 5.07 % Favored : 94.90 % Rotamer: Outliers : 0.00 % Allowed : 0.45 % Favored : 99.55 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.64 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -1.74 (0.07), residues: 12924 helix: -0.64 (0.07), residues: 5604 sheet: 0.26 (0.19), residues: 780 loop : -1.79 (0.07), residues: 6540 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.034 0.001 TRP D3935 HIS 0.006 0.001 HIS D4983 PHE 0.034 0.001 PHE B2235 TYR 0.027 0.001 TYR D4849 ARG 0.011 0.000 ARG A3849 *********************** REFINEMENT MACRO_CYCLE 1 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 25848 Ramachandran restraints generated. 12924 Oldfield, 0 Emsley, 12924 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 25848 Ramachandran restraints generated. 12924 Oldfield, 0 Emsley, 12924 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1195 residues out of total 11344 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 1195 time to evaluate : 8.680 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 194 SER cc_start: 0.6767 (m) cc_final: 0.6440 (m) REVERT: A 961 MET cc_start: -0.1833 (mpp) cc_final: -0.2471 (mtp) REVERT: A 2208 MET cc_start: 0.8732 (mmm) cc_final: 0.8461 (mmm) REVERT: A 2790 MET cc_start: -0.3566 (mtp) cc_final: -0.3894 (mmm) REVERT: A 3758 MET cc_start: 0.8090 (ppp) cc_final: 0.7798 (ppp) REVERT: A 4013 LEU cc_start: 0.8870 (tp) cc_final: 0.8639 (tp) REVERT: A 4023 MET cc_start: 0.9079 (mpp) cc_final: 0.8708 (mpp) REVERT: A 4039 MET cc_start: 0.8006 (tpt) cc_final: 0.7518 (tmm) REVERT: A 4719 PHE cc_start: 0.8981 (m-80) cc_final: 0.8706 (m-80) REVERT: A 4839 MET cc_start: 0.6297 (ptt) cc_final: 0.5989 (tmm) REVERT: A 4879 MET cc_start: 0.8134 (pmm) cc_final: 0.7619 (pmm) REVERT: A 4880 MET cc_start: 0.8550 (tmm) cc_final: 0.8325 (tmm) REVERT: A 4954 MET cc_start: 0.6063 (mtp) cc_final: 0.5598 (mmt) REVERT: B 194 SER cc_start: 0.6770 (m) cc_final: 0.6450 (m) REVERT: B 961 MET cc_start: -0.1783 (mpp) cc_final: -0.2405 (mtp) REVERT: B 2208 MET cc_start: 0.8724 (mmm) cc_final: 0.8436 (mmm) REVERT: B 2790 MET cc_start: -0.3578 (mtp) cc_final: -0.3907 (mmm) REVERT: B 3758 MET cc_start: 0.8065 (ppp) cc_final: 0.7763 (ppp) REVERT: B 3878 ASP cc_start: 0.8425 (p0) cc_final: 0.8196 (p0) REVERT: B 4013 LEU cc_start: 0.8876 (tp) cc_final: 0.8643 (tp) REVERT: B 4023 MET cc_start: 0.9080 (mpp) cc_final: 0.8710 (mpp) REVERT: B 4039 MET cc_start: 0.7974 (tpt) cc_final: 0.7506 (tmm) REVERT: B 4719 PHE cc_start: 0.8989 (m-80) cc_final: 0.8709 (m-80) REVERT: B 4839 MET cc_start: 0.6374 (ptt) cc_final: 0.6035 (tmm) REVERT: B 4879 MET cc_start: 0.8120 (pmm) cc_final: 0.7640 (pmm) REVERT: B 4880 MET cc_start: 0.8594 (tmm) cc_final: 0.8387 (tmm) REVERT: B 4954 MET cc_start: 0.5556 (mtp) cc_final: 0.4987 (mmt) REVERT: C 194 SER cc_start: 0.6751 (m) cc_final: 0.6433 (m) REVERT: C 961 MET cc_start: -0.1756 (mpp) cc_final: -0.2389 (mtp) REVERT: C 2208 MET cc_start: 0.8735 (mmm) cc_final: 0.8446 (mmm) REVERT: C 2790 MET cc_start: -0.3577 (mtp) cc_final: -0.3908 (mmm) REVERT: C 3758 MET cc_start: 0.8118 (ppp) cc_final: 0.7826 (ppp) REVERT: C 3878 ASP cc_start: 0.8440 (p0) cc_final: 0.8210 (p0) REVERT: C 4013 LEU cc_start: 0.8874 (tp) cc_final: 0.8639 (tp) REVERT: C 4023 MET cc_start: 0.9085 (mpp) cc_final: 0.8705 (mpp) REVERT: C 4039 MET cc_start: 0.8017 (tpt) cc_final: 0.7531 (tmm) REVERT: C 4719 PHE cc_start: 0.8982 (m-80) cc_final: 0.8707 (m-80) REVERT: C 4839 MET cc_start: 0.6285 (ptt) cc_final: 0.5935 (tmm) REVERT: C 4879 MET cc_start: 0.8037 (pmm) cc_final: 0.7620 (pmm) REVERT: C 4880 MET cc_start: 0.8552 (tmm) cc_final: 0.8332 (tmm) REVERT: C 4954 MET cc_start: 0.6028 (mtp) cc_final: 0.5259 (mmt) REVERT: D 194 SER cc_start: 0.6697 (m) cc_final: 0.6397 (m) REVERT: D 961 MET cc_start: -0.1755 (mpp) cc_final: -0.2388 (mtp) REVERT: D 2208 MET cc_start: 0.8735 (mmm) cc_final: 0.8463 (mmm) REVERT: D 2790 MET cc_start: -0.3577 (mtp) cc_final: -0.3900 (mmm) REVERT: D 3758 MET cc_start: 0.8074 (ppp) cc_final: 0.7780 (ppp) REVERT: D 3878 ASP cc_start: 0.8443 (p0) cc_final: 0.8205 (p0) REVERT: D 4013 LEU cc_start: 0.8882 (tp) cc_final: 0.8650 (tp) REVERT: D 4023 MET cc_start: 0.9072 (mpp) cc_final: 0.8698 (mpp) REVERT: D 4039 MET cc_start: 0.7990 (tpt) cc_final: 0.7503 (tmm) REVERT: D 4044 MET cc_start: 0.9395 (mmp) cc_final: 0.9190 (mmm) REVERT: D 4719 PHE cc_start: 0.8979 (m-80) cc_final: 0.8706 (m-80) REVERT: D 4839 MET cc_start: 0.6403 (ptt) cc_final: 0.6123 (tmm) REVERT: D 4879 MET cc_start: 0.8145 (pmm) cc_final: 0.7660 (pmm) REVERT: D 4880 MET cc_start: 0.8612 (tmm) cc_final: 0.8397 (tmm) REVERT: D 4954 MET cc_start: 0.5053 (mtp) cc_final: 0.4560 (mmt) outliers start: 0 outliers final: 0 residues processed: 1195 average time/residue: 0.8769 time to fit residues: 1891.1637 Evaluate side-chains 908 residues out of total 11344 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 908 time to evaluate : 8.742 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=5.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 0 random chunks: chunk None optimal weight: 10.0000 overall best weight: 50.0000 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** A 57 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 156 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 218 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A 224 HIS ** A 255 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 308 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 460 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 475 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 479 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 495 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 582 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 610 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 618 GLN ** A 624 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 634 GLN ** A 639 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 678 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A 681 HIS ** A 705 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 725 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 735 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 772 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 877 ASN A 904 HIS ** A1130 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1158 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1165 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A1203 ASN ** A1244 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A1590 GLN ** A1665 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A1679 ASN ** A1683 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A1702 HIS ** A1837 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2032 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2041 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A2100 HIS ** A2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2161 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2184 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2268 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A2856 ASN ** A2877 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2924 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3643 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A3704 HIS ** A3767 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A3845 ASN A3896 ASN ** A3927 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A3960 GLN ** A3976 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4078 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4094 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4100 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A4204 GLN ** A4223 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A4553 ASN ** A4574 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4812 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A4857 ASN ** A4978 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4987 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B 23 GLN ** B 57 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 156 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 218 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B 224 HIS ** B 255 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 308 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 460 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 475 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 479 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 495 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 582 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 610 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B 618 GLN ** B 624 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B 634 GLN ** B 639 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 678 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 681 HIS ** B 705 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 725 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 735 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 772 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B 877 ASN B 904 HIS ** B1130 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1158 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1165 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B1203 ASN B1231 GLN ** B1244 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1254 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B1590 GLN ** B1665 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B1679 ASN ** B1683 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B1702 HIS ** B1837 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2032 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2041 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B2100 HIS ** B2161 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2184 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B2856 ASN ** B2877 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3643 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B3704 HIS ** B3767 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B3845 ASN B3896 ASN ** B3927 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B3960 GLN ** B3976 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4078 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4094 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4100 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B4204 GLN ** B4223 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B4553 ASN ** B4574 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4812 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B4857 ASN ** B4987 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B5003 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 57 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 156 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 218 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C 224 HIS ** C 255 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 308 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 394 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 460 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 475 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 479 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 495 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 582 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 610 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 618 GLN ** C 624 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 634 GLN ** C 639 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 678 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 681 HIS ** C 705 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 725 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 735 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 772 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 877 ASN C 904 HIS ** C1130 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1158 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1165 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C1203 ASN ** C1244 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1254 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1665 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C1679 ASN ** C1683 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C1702 HIS ** C1837 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2032 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2041 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C2100 HIS ** C2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2184 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2268 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C2856 ASN ** C2877 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3643 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C3704 HIS ** C3767 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C3845 ASN C3896 ASN ** C3927 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C3960 GLN ** C3976 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4078 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4094 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4100 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C4204 GLN ** C4223 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C4553 ASN ** C4574 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4812 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C4857 ASN ** C4978 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4987 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 57 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 156 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 218 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D 224 HIS ** D 255 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 308 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 460 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 475 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 479 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 495 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 582 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 610 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D 618 GLN ** D 624 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D 634 GLN ** D 639 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 678 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D 681 HIS ** D 705 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 725 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 735 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 772 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D 877 ASN D 904 HIS ** D1130 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1158 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1165 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D1203 ASN ** D1244 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D1590 GLN ** D1665 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D1679 ASN ** D1683 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D1702 HIS ** D1837 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2032 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2041 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D2100 HIS ** D2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2184 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2268 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D2856 ASN ** D2877 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3643 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3767 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D3845 ASN D3896 ASN ** D3927 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D3960 GLN ** D3976 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4078 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4094 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4100 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D4204 GLN ** D4223 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D4553 ASN ** D4574 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4714 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4812 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D4857 ASN ** D4978 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4987 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D5003 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 76 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8099 moved from start: 1.0229 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.031 0.262 119724 Z= 1.990 Angle : 2.761 31.311 163324 Z= 1.419 Chirality : 0.105 0.631 19116 Planarity : 0.020 0.319 21488 Dihedral : 12.178 146.337 17724 Min Nonbonded Distance : 1.731 Molprobity Statistics. All-atom Clashscore : 117.51 Ramachandran Plot: Outliers : 2.53 % Allowed : 18.25 % Favored : 79.22 % Rotamer: Outliers : 12.67 % Allowed : 21.04 % Favored : 66.29 % Cbeta Deviations : 0.15 % Peptide Plane: Cis-proline : 0.64 % Cis-general : 0.00 % Twisted Proline : 1.27 % Twisted General : 1.55 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -5.39 (0.06), residues: 12924 helix: -3.82 (0.04), residues: 5404 sheet: -2.53 (0.17), residues: 772 loop : -3.55 (0.06), residues: 6748 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.089 0.009 TRP A1132 HIS 0.040 0.009 HIS B 111 PHE 0.093 0.011 PHE B4077 TYR 0.085 0.010 TYR B4849 ARG 0.041 0.004 ARG B2452 *********************** REFINEMENT MACRO_CYCLE 2 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 25848 Ramachandran restraints generated. 12924 Oldfield, 0 Emsley, 12924 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 25848 Ramachandran restraints generated. 12924 Oldfield, 0 Emsley, 12924 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1899 residues out of total 11344 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 1263 poor density : 636 time to evaluate : 9.393 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: A 152 PRO cc_start: 0.9040 (OUTLIER) cc_final: 0.8662 (Cg_exo) REVERT: A 244 LEU cc_start: 0.9042 (OUTLIER) cc_final: 0.8806 (pp) REVERT: A 247 TYR cc_start: 0.8416 (OUTLIER) cc_final: 0.7641 (m-80) REVERT: A 263 GLU cc_start: 0.8855 (OUTLIER) cc_final: 0.8523 (mp0) REVERT: A 334 MET cc_start: 0.7515 (mmm) cc_final: 0.7099 (mmm) REVERT: A 483 MET cc_start: 0.7648 (pmm) cc_final: 0.7268 (pmm) REVERT: A 961 MET cc_start: 0.2124 (mpp) cc_final: 0.1868 (mpp) REVERT: A 1260 MET cc_start: 0.8097 (ppp) cc_final: 0.7776 (ppp) REVERT: A 1630 CYS cc_start: 0.7144 (OUTLIER) cc_final: 0.6716 (t) REVERT: A 1680 ARG cc_start: 0.9219 (OUTLIER) cc_final: 0.8939 (mmm160) REVERT: A 1813 ARG cc_start: 0.8695 (OUTLIER) cc_final: 0.7916 (ptm-80) REVERT: A 1842 LEU cc_start: 0.9301 (OUTLIER) cc_final: 0.9060 (pp) REVERT: A 1857 GLU cc_start: 0.9331 (OUTLIER) cc_final: 0.8726 (pp20) REVERT: A 1927 LEU cc_start: 0.8841 (OUTLIER) cc_final: 0.8436 (pp) REVERT: A 1928 GLN cc_start: 0.9433 (OUTLIER) cc_final: 0.8853 (mp10) REVERT: A 2186 MET cc_start: 0.9530 (OUTLIER) cc_final: 0.9094 (mmm) REVERT: A 2301 TYR cc_start: 0.9064 (OUTLIER) cc_final: 0.8563 (m-80) REVERT: A 2768 PHE cc_start: 0.1661 (OUTLIER) cc_final: 0.1317 (t80) REVERT: A 2804 ILE cc_start: 0.6274 (OUTLIER) cc_final: 0.5740 (mp) REVERT: A 2811 GLU cc_start: 0.8419 (OUTLIER) cc_final: 0.7805 (tp30) REVERT: A 2935 TYR cc_start: 0.5890 (OUTLIER) cc_final: 0.4940 (m-80) REVERT: A 3697 PRO cc_start: 0.9515 (OUTLIER) cc_final: 0.9142 (Cg_endo) REVERT: A 3715 LYS cc_start: 0.9405 (tmtt) cc_final: 0.9168 (tptp) REVERT: A 3875 MET cc_start: 0.8575 (OUTLIER) cc_final: 0.8263 (tpt) REVERT: A 3937 TYR cc_start: 0.8733 (OUTLIER) cc_final: 0.8236 (t80) REVERT: A 4020 GLN cc_start: 0.9211 (OUTLIER) cc_final: 0.8855 (mp10) REVERT: A 4039 MET cc_start: 0.9201 (tpt) cc_final: 0.8957 (tmm) REVERT: A 4047 MET cc_start: 0.9328 (ppp) cc_final: 0.9059 (ppp) REVERT: A 4103 PHE cc_start: 0.5766 (OUTLIER) cc_final: 0.5513 (m-10) REVERT: A 4560 TYR cc_start: 0.9299 (OUTLIER) cc_final: 0.9056 (m-10) REVERT: A 4568 PHE cc_start: 0.9183 (OUTLIER) cc_final: 0.8967 (t80) REVERT: A 4643 LEU cc_start: 0.8747 (OUTLIER) cc_final: 0.8430 (pp) REVERT: A 4686 LEU cc_start: 0.8987 (pt) cc_final: 0.8762 (tt) REVERT: A 4704 LEU cc_start: 0.9481 (OUTLIER) cc_final: 0.9279 (tt) REVERT: B 152 PRO cc_start: 0.9034 (OUTLIER) cc_final: 0.8641 (Cg_exo) REVERT: B 244 LEU cc_start: 0.9045 (OUTLIER) cc_final: 0.8810 (pp) REVERT: B 247 TYR cc_start: 0.8414 (OUTLIER) cc_final: 0.7736 (m-80) REVERT: B 263 GLU cc_start: 0.8862 (OUTLIER) cc_final: 0.8528 (mp0) REVERT: B 334 MET cc_start: 0.7524 (mmm) cc_final: 0.7116 (mmm) REVERT: B 483 MET cc_start: 0.7744 (pmm) cc_final: 0.7402 (pmm) REVERT: B 961 MET cc_start: 0.2169 (mpp) cc_final: 0.1907 (mpp) REVERT: B 1260 MET cc_start: 0.8104 (ppp) cc_final: 0.7781 (ppp) REVERT: B 1630 CYS cc_start: 0.7152 (OUTLIER) cc_final: 0.6717 (t) REVERT: B 1680 ARG cc_start: 0.9217 (OUTLIER) cc_final: 0.8731 (ttp80) REVERT: B 1786 LEU cc_start: 0.3375 (OUTLIER) cc_final: 0.2998 (mp) REVERT: B 1813 ARG cc_start: 0.8700 (OUTLIER) cc_final: 0.7945 (ptm-80) REVERT: B 1842 LEU cc_start: 0.9297 (OUTLIER) cc_final: 0.9057 (pp) REVERT: B 1857 GLU cc_start: 0.9332 (OUTLIER) cc_final: 0.8723 (pp20) REVERT: B 1927 LEU cc_start: 0.8864 (OUTLIER) cc_final: 0.8468 (pp) REVERT: B 1928 GLN cc_start: 0.9439 (OUTLIER) cc_final: 0.8852 (mp10) REVERT: B 2178 MET cc_start: 0.8748 (ppp) cc_final: 0.8528 (ppp) REVERT: B 2186 MET cc_start: 0.9531 (OUTLIER) cc_final: 0.9097 (mmm) REVERT: B 2301 TYR cc_start: 0.9061 (OUTLIER) cc_final: 0.8560 (m-80) REVERT: B 2768 PHE cc_start: 0.1643 (OUTLIER) cc_final: 0.1294 (t80) REVERT: B 2804 ILE cc_start: 0.6291 (OUTLIER) cc_final: 0.5762 (mp) REVERT: B 2811 GLU cc_start: 0.8418 (OUTLIER) cc_final: 0.7801 (tp30) REVERT: B 2935 TYR cc_start: 0.5870 (OUTLIER) cc_final: 0.4963 (m-80) REVERT: B 3697 PRO cc_start: 0.9523 (OUTLIER) cc_final: 0.9150 (Cg_endo) REVERT: B 3715 LYS cc_start: 0.9412 (tmtt) cc_final: 0.9176 (tptp) REVERT: B 3875 MET cc_start: 0.8578 (OUTLIER) cc_final: 0.8261 (tpt) REVERT: B 3937 TYR cc_start: 0.8723 (OUTLIER) cc_final: 0.8233 (t80) REVERT: B 4020 GLN cc_start: 0.9215 (OUTLIER) cc_final: 0.8853 (mp10) REVERT: B 4039 MET cc_start: 0.9201 (tpt) cc_final: 0.8962 (tmm) REVERT: B 4047 MET cc_start: 0.9300 (ppp) cc_final: 0.9019 (ppp) REVERT: B 4103 PHE cc_start: 0.5768 (OUTLIER) cc_final: 0.5511 (m-10) REVERT: B 4209 GLN cc_start: 0.9224 (OUTLIER) cc_final: 0.9016 (pp30) REVERT: B 4560 TYR cc_start: 0.9295 (OUTLIER) cc_final: 0.9056 (m-10) REVERT: B 4568 PHE cc_start: 0.9179 (OUTLIER) cc_final: 0.8968 (t80) REVERT: B 4643 LEU cc_start: 0.8733 (OUTLIER) cc_final: 0.8443 (pp) REVERT: B 4686 LEU cc_start: 0.8958 (pt) cc_final: 0.8754 (tt) REVERT: C 152 PRO cc_start: 0.9039 (OUTLIER) cc_final: 0.8662 (Cg_exo) REVERT: C 244 LEU cc_start: 0.9046 (OUTLIER) cc_final: 0.8810 (pp) REVERT: C 247 TYR cc_start: 0.8416 (OUTLIER) cc_final: 0.7646 (m-80) REVERT: C 263 GLU cc_start: 0.8862 (OUTLIER) cc_final: 0.8530 (mp0) REVERT: C 334 MET cc_start: 0.7525 (mmm) cc_final: 0.7123 (mmm) REVERT: C 483 MET cc_start: 0.7749 (pmm) cc_final: 0.7417 (pmm) REVERT: C 961 MET cc_start: 0.2113 (mpp) cc_final: 0.1857 (mpp) REVERT: C 1260 MET cc_start: 0.8094 (ppp) cc_final: 0.7769 (ppp) REVERT: C 1630 CYS cc_start: 0.7144 (OUTLIER) cc_final: 0.6714 (t) REVERT: C 1680 ARG cc_start: 0.9218 (OUTLIER) cc_final: 0.8936 (mmm160) REVERT: C 1813 ARG cc_start: 0.8698 (OUTLIER) cc_final: 0.7944 (ptm-80) REVERT: C 1842 LEU cc_start: 0.9300 (OUTLIER) cc_final: 0.9067 (pp) REVERT: C 1857 GLU cc_start: 0.9331 (OUTLIER) cc_final: 0.8725 (pp20) REVERT: C 1927 LEU cc_start: 0.8854 (OUTLIER) cc_final: 0.8446 (pp) REVERT: C 1928 GLN cc_start: 0.9437 (OUTLIER) cc_final: 0.8851 (mp10) REVERT: C 2186 MET cc_start: 0.9531 (OUTLIER) cc_final: 0.9097 (mmm) REVERT: C 2301 TYR cc_start: 0.9061 (OUTLIER) cc_final: 0.8562 (m-80) REVERT: C 2768 PHE cc_start: 0.1673 (OUTLIER) cc_final: 0.1326 (t80) REVERT: C 2804 ILE cc_start: 0.6288 (OUTLIER) cc_final: 0.5758 (mp) REVERT: C 2811 GLU cc_start: 0.8418 (OUTLIER) cc_final: 0.7802 (tp30) REVERT: C 2935 TYR cc_start: 0.5887 (OUTLIER) cc_final: 0.4939 (m-80) REVERT: C 3697 PRO cc_start: 0.9513 (OUTLIER) cc_final: 0.9139 (Cg_endo) REVERT: C 3715 LYS cc_start: 0.9409 (tmtt) cc_final: 0.9177 (tptp) REVERT: C 3875 MET cc_start: 0.8573 (OUTLIER) cc_final: 0.8268 (tpt) REVERT: C 3937 TYR cc_start: 0.8731 (OUTLIER) cc_final: 0.8235 (t80) REVERT: C 4020 GLN cc_start: 0.9212 (OUTLIER) cc_final: 0.8856 (mp10) REVERT: C 4039 MET cc_start: 0.9207 (tpt) cc_final: 0.8961 (tmm) REVERT: C 4047 MET cc_start: 0.9294 (ppp) cc_final: 0.9017 (ppp) REVERT: C 4103 PHE cc_start: 0.5775 (OUTLIER) cc_final: 0.5521 (m-10) REVERT: C 4560 TYR cc_start: 0.9317 (OUTLIER) cc_final: 0.9079 (m-10) REVERT: C 4568 PHE cc_start: 0.9174 (OUTLIER) cc_final: 0.8965 (t80) REVERT: C 4643 LEU cc_start: 0.8748 (OUTLIER) cc_final: 0.8431 (pp) REVERT: C 4686 LEU cc_start: 0.8978 (pt) cc_final: 0.8754 (tt) REVERT: D 152 PRO cc_start: 0.9036 (OUTLIER) cc_final: 0.8644 (Cg_exo) REVERT: D 244 LEU cc_start: 0.9044 (OUTLIER) cc_final: 0.8793 (pp) REVERT: D 247 TYR cc_start: 0.8416 (OUTLIER) cc_final: 0.7642 (m-80) REVERT: D 263 GLU cc_start: 0.8859 (OUTLIER) cc_final: 0.8526 (mp0) REVERT: D 334 MET cc_start: 0.7518 (mmm) cc_final: 0.7107 (mmm) REVERT: D 483 MET cc_start: 0.7752 (pmm) cc_final: 0.7422 (pmm) REVERT: D 961 MET cc_start: 0.2140 (mpp) cc_final: 0.1875 (mpp) REVERT: D 1260 MET cc_start: 0.8099 (ppp) cc_final: 0.7780 (ppp) REVERT: D 1630 CYS cc_start: 0.7152 (OUTLIER) cc_final: 0.6720 (t) REVERT: D 1680 ARG cc_start: 0.9218 (OUTLIER) cc_final: 0.8939 (mmm160) REVERT: D 1813 ARG cc_start: 0.8695 (OUTLIER) cc_final: 0.7943 (ptm-80) REVERT: D 1842 LEU cc_start: 0.9300 (OUTLIER) cc_final: 0.9058 (pp) REVERT: D 1857 GLU cc_start: 0.9332 (OUTLIER) cc_final: 0.8725 (pp20) REVERT: D 1927 LEU cc_start: 0.8843 (OUTLIER) cc_final: 0.8439 (pp) REVERT: D 1928 GLN cc_start: 0.9431 (OUTLIER) cc_final: 0.8851 (mp10) REVERT: D 2186 MET cc_start: 0.9528 (OUTLIER) cc_final: 0.9095 (mmm) REVERT: D 2301 TYR cc_start: 0.9063 (OUTLIER) cc_final: 0.8563 (m-80) REVERT: D 2768 PHE cc_start: 0.1681 (OUTLIER) cc_final: 0.1212 (t80) REVERT: D 2804 ILE cc_start: 0.6287 (OUTLIER) cc_final: 0.5757 (mp) REVERT: D 2811 GLU cc_start: 0.8427 (OUTLIER) cc_final: 0.7810 (tp30) REVERT: D 2935 TYR cc_start: 0.5881 (OUTLIER) cc_final: 0.4939 (m-80) REVERT: D 3697 PRO cc_start: 0.9513 (OUTLIER) cc_final: 0.9140 (Cg_endo) REVERT: D 3715 LYS cc_start: 0.9406 (tmtt) cc_final: 0.9168 (tptp) REVERT: D 3875 MET cc_start: 0.8576 (OUTLIER) cc_final: 0.8263 (tpt) REVERT: D 3937 TYR cc_start: 0.8728 (OUTLIER) cc_final: 0.8232 (t80) REVERT: D 4020 GLN cc_start: 0.9218 (OUTLIER) cc_final: 0.8856 (mp10) REVERT: D 4039 MET cc_start: 0.9208 (tpt) cc_final: 0.9001 (tmm) REVERT: D 4044 MET cc_start: 0.9710 (mmp) cc_final: 0.9422 (mmm) REVERT: D 4047 MET cc_start: 0.9301 (ppp) cc_final: 0.9021 (ppp) REVERT: D 4103 PHE cc_start: 0.5723 (OUTLIER) cc_final: 0.5481 (m-10) REVERT: D 4560 TYR cc_start: 0.9307 (OUTLIER) cc_final: 0.9065 (m-10) REVERT: D 4643 LEU cc_start: 0.8762 (OUTLIER) cc_final: 0.8429 (pp) REVERT: D 4686 LEU cc_start: 0.8985 (pt) cc_final: 0.8763 (tt) REVERT: D 4704 LEU cc_start: 0.9484 (OUTLIER) cc_final: 0.9278 (tt) outliers start: 1263 outliers final: 651 residues processed: 1794 average time/residue: 0.8561 time to fit residues: 2805.1797 Evaluate side-chains 1324 residues out of total 11344 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 754 poor density : 570 time to evaluate : 8.747 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 14 LEU Chi-restraints excluded: chain A residue 17 ASP Chi-restraints excluded: chain A residue 18 ASP Chi-restraints excluded: chain A residue 62 LEU Chi-restraints excluded: chain A residue 76 ARG Chi-restraints excluded: chain A residue 109 LEU Chi-restraints excluded: chain A residue 111 HIS Chi-restraints excluded: chain A residue 121 LEU Chi-restraints excluded: chain A residue 123 THR Chi-restraints excluded: chain A residue 134 ASP Chi-restraints excluded: chain A residue 135 VAL Chi-restraints excluded: chain A residue 144 GLU Chi-restraints excluded: chain A residue 152 PRO Chi-restraints excluded: chain A residue 165 VAL Chi-restraints excluded: chain A residue 173 SER Chi-restraints excluded: chain A residue 176 SER Chi-restraints excluded: chain A residue 244 LEU Chi-restraints excluded: chain A residue 247 TYR Chi-restraints excluded: chain A residue 259 LEU Chi-restraints excluded: chain A residue 262 LEU Chi-restraints excluded: chain A residue 263 GLU Chi-restraints excluded: chain A residue 299 LEU Chi-restraints excluded: chain A residue 313 SER Chi-restraints excluded: chain A residue 345 LEU Chi-restraints excluded: chain A residue 391 THR Chi-restraints excluded: chain A residue 403 MET Chi-restraints excluded: chain A residue 407 THR Chi-restraints excluded: chain A residue 462 GLU Chi-restraints excluded: chain A residue 471 LEU Chi-restraints excluded: chain A residue 491 ILE Chi-restraints excluded: chain A residue 513 GLU Chi-restraints excluded: chain A residue 522 LEU Chi-restraints excluded: chain A residue 529 LEU Chi-restraints excluded: chain A residue 536 ASN Chi-restraints excluded: chain A residue 539 LEU Chi-restraints excluded: chain A residue 575 LEU Chi-restraints excluded: chain A residue 586 ILE Chi-restraints excluded: chain A residue 614 VAL Chi-restraints excluded: chain A residue 631 LEU Chi-restraints excluded: chain A residue 635 THR Chi-restraints excluded: chain A residue 669 ASP Chi-restraints excluded: chain A residue 680 THR Chi-restraints excluded: chain A residue 695 TYR Chi-restraints excluded: chain A residue 737 LEU Chi-restraints excluded: chain A residue 757 PHE Chi-restraints excluded: chain A residue 771 PHE Chi-restraints excluded: chain A residue 772 ASN Chi-restraints excluded: chain A residue 815 VAL Chi-restraints excluded: chain A residue 924 MET Chi-restraints excluded: chain A residue 971 ASP Chi-restraints excluded: chain A residue 1081 TYR Chi-restraints excluded: chain A residue 1108 GLU Chi-restraints excluded: chain A residue 1133 HIS Chi-restraints excluded: chain A residue 1158 ASN Chi-restraints excluded: chain A residue 1172 ASP Chi-restraints excluded: chain A residue 1184 ILE Chi-restraints excluded: chain A residue 1191 VAL Chi-restraints excluded: chain A residue 1204 LEU Chi-restraints excluded: chain A residue 1257 VAL Chi-restraints excluded: chain A residue 1597 VAL Chi-restraints excluded: chain A residue 1608 MET Chi-restraints excluded: chain A residue 1613 LEU Chi-restraints excluded: chain A residue 1630 CYS Chi-restraints excluded: chain A residue 1641 ILE Chi-restraints excluded: chain A residue 1680 ARG Chi-restraints excluded: chain A residue 1695 LEU Chi-restraints excluded: chain A residue 1703 LEU Chi-restraints excluded: chain A residue 1731 LEU Chi-restraints excluded: chain A residue 1768 THR Chi-restraints excluded: chain A residue 1786 LEU Chi-restraints excluded: chain A residue 1798 LEU Chi-restraints excluded: chain A residue 1813 ARG Chi-restraints excluded: chain A residue 1842 LEU Chi-restraints excluded: chain A residue 1849 LEU Chi-restraints excluded: chain A residue 1850 VAL Chi-restraints excluded: chain A residue 1857 GLU Chi-restraints excluded: chain A residue 1866 ILE Chi-restraints excluded: chain A residue 1927 LEU Chi-restraints excluded: chain A residue 1928 GLN Chi-restraints excluded: chain A residue 1939 MET Chi-restraints excluded: chain A residue 1943 LEU Chi-restraints excluded: chain A residue 1966 VAL Chi-restraints excluded: chain A residue 2030 ASP Chi-restraints excluded: chain A residue 2098 VAL Chi-restraints excluded: chain A residue 2101 MET Chi-restraints excluded: chain A residue 2102 VAL Chi-restraints excluded: chain A residue 2117 VAL Chi-restraints excluded: chain A residue 2125 HIS Chi-restraints excluded: chain A residue 2166 LEU Chi-restraints excluded: chain A residue 2186 MET Chi-restraints excluded: chain A residue 2187 ASN Chi-restraints excluded: chain A residue 2229 VAL Chi-restraints excluded: chain A residue 2254 LEU Chi-restraints excluded: chain A residue 2260 ASN Chi-restraints excluded: chain A residue 2279 SER Chi-restraints excluded: chain A residue 2291 GLN Chi-restraints excluded: chain A residue 2301 TYR Chi-restraints excluded: chain A residue 2349 ASN Chi-restraints excluded: chain A residue 2357 LEU Chi-restraints excluded: chain A residue 2377 LEU Chi-restraints excluded: chain A residue 2440 MET Chi-restraints excluded: chain A residue 2457 LEU Chi-restraints excluded: chain A residue 2740 VAL Chi-restraints excluded: chain A residue 2768 PHE Chi-restraints excluded: chain A residue 2804 ILE Chi-restraints excluded: chain A residue 2811 GLU Chi-restraints excluded: chain A residue 2816 MET Chi-restraints excluded: chain A residue 2885 THR Chi-restraints excluded: chain A residue 2902 HIS Chi-restraints excluded: chain A residue 2929 PHE Chi-restraints excluded: chain A residue 2935 TYR Chi-restraints excluded: chain A residue 3697 PRO Chi-restraints excluded: chain A residue 3719 ASP Chi-restraints excluded: chain A residue 3751 VAL Chi-restraints excluded: chain A residue 3763 LEU Chi-restraints excluded: chain A residue 3773 ARG Chi-restraints excluded: chain A residue 3786 CYS Chi-restraints excluded: chain A residue 3790 THR Chi-restraints excluded: chain A residue 3796 SER Chi-restraints excluded: chain A residue 3798 LEU Chi-restraints excluded: chain A residue 3812 VAL Chi-restraints excluded: chain A residue 3816 MET Chi-restraints excluded: chain A residue 3838 THR Chi-restraints excluded: chain A residue 3875 MET Chi-restraints excluded: chain A residue 3907 THR Chi-restraints excluded: chain A residue 3916 ILE Chi-restraints excluded: chain A residue 3920 VAL Chi-restraints excluded: chain A residue 3931 SER Chi-restraints excluded: chain A residue 3937 TYR Chi-restraints excluded: chain A residue 3957 VAL Chi-restraints excluded: chain A residue 3961 VAL Chi-restraints excluded: chain A residue 3973 CYS Chi-restraints excluded: chain A residue 3974 THR Chi-restraints excluded: chain A residue 3990 VAL Chi-restraints excluded: chain A residue 4020 GLN Chi-restraints excluded: chain A residue 4030 LEU Chi-restraints excluded: chain A residue 4034 ASN Chi-restraints excluded: chain A residue 4036 VAL Chi-restraints excluded: chain A residue 4045 VAL Chi-restraints excluded: chain A residue 4046 ASP Chi-restraints excluded: chain A residue 4065 PHE Chi-restraints excluded: chain A residue 4097 MET Chi-restraints excluded: chain A residue 4098 ASP Chi-restraints excluded: chain A residue 4103 PHE Chi-restraints excluded: chain A residue 4139 ILE Chi-restraints excluded: chain A residue 4143 VAL Chi-restraints excluded: chain A residue 4154 VAL Chi-restraints excluded: chain A residue 4159 ARG Chi-restraints excluded: chain A residue 4184 MET Chi-restraints excluded: chain A residue 4190 ILE Chi-restraints excluded: chain A residue 4200 THR Chi-restraints excluded: chain A residue 4241 THR Chi-restraints excluded: chain A residue 4245 MET Chi-restraints excluded: chain A residue 4247 ILE Chi-restraints excluded: chain A residue 4560 TYR Chi-restraints excluded: chain A residue 4565 LEU Chi-restraints excluded: chain A residue 4568 PHE Chi-restraints excluded: chain A residue 4575 PHE Chi-restraints excluded: chain A residue 4577 LEU Chi-restraints excluded: chain A residue 4630 TYR Chi-restraints excluded: chain A residue 4631 PHE Chi-restraints excluded: chain A residue 4643 LEU Chi-restraints excluded: chain A residue 4649 LEU Chi-restraints excluded: chain A residue 4652 LEU Chi-restraints excluded: chain A residue 4653 VAL Chi-restraints excluded: chain A residue 4675 LYS Chi-restraints excluded: chain A residue 4682 GLU Chi-restraints excluded: chain A residue 4684 ASP Chi-restraints excluded: chain A residue 4688 ILE Chi-restraints excluded: chain A residue 4694 ASP Chi-restraints excluded: chain A residue 4701 TRP Chi-restraints excluded: chain A residue 4704 LEU Chi-restraints excluded: chain A residue 4740 LEU Chi-restraints excluded: chain A residue 4770 SER Chi-restraints excluded: chain A residue 4777 ILE Chi-restraints excluded: chain A residue 4786 ASP Chi-restraints excluded: chain A residue 4792 LEU Chi-restraints excluded: chain A residue 4818 MET Chi-restraints excluded: chain A residue 4838 VAL Chi-restraints excluded: chain A residue 4854 VAL Chi-restraints excluded: chain A residue 4862 PHE Chi-restraints excluded: chain A residue 4877 ASP Chi-restraints excluded: chain A residue 4915 VAL Chi-restraints excluded: chain A residue 4918 ILE Chi-restraints excluded: chain A residue 4922 PHE Chi-restraints excluded: chain A residue 4960 ILE Chi-restraints excluded: chain A residue 4979 THR Chi-restraints excluded: chain A residue 4985 LEU Chi-restraints excluded: chain A residue 4990 PHE Chi-restraints excluded: chain A residue 5010 VAL Chi-restraints excluded: chain A residue 5016 GLU Chi-restraints excluded: chain A residue 5027 CYS Chi-restraints excluded: chain B residue 14 LEU Chi-restraints excluded: chain B residue 17 ASP Chi-restraints excluded: chain B residue 18 ASP Chi-restraints excluded: chain B residue 76 ARG Chi-restraints excluded: chain B residue 109 LEU Chi-restraints excluded: chain B residue 111 HIS Chi-restraints excluded: chain B residue 121 LEU Chi-restraints excluded: chain B residue 123 THR Chi-restraints excluded: chain B residue 134 ASP Chi-restraints excluded: chain B residue 135 VAL Chi-restraints excluded: chain B residue 144 GLU Chi-restraints excluded: chain B residue 152 PRO Chi-restraints excluded: chain B residue 165 VAL Chi-restraints excluded: chain B residue 173 SER Chi-restraints excluded: chain B residue 176 SER Chi-restraints excluded: chain B residue 244 LEU Chi-restraints excluded: chain B residue 247 TYR Chi-restraints excluded: chain B residue 259 LEU Chi-restraints excluded: chain B residue 262 LEU Chi-restraints excluded: chain B residue 263 GLU Chi-restraints excluded: chain B residue 299 LEU Chi-restraints excluded: chain B residue 313 SER Chi-restraints excluded: chain B residue 315 CYS Chi-restraints excluded: chain B residue 345 LEU Chi-restraints excluded: chain B residue 391 THR Chi-restraints excluded: chain B residue 403 MET Chi-restraints excluded: chain B residue 407 THR Chi-restraints excluded: chain B residue 462 GLU Chi-restraints excluded: chain B residue 471 LEU Chi-restraints excluded: chain B residue 491 ILE Chi-restraints excluded: chain B residue 513 GLU Chi-restraints excluded: chain B residue 522 LEU Chi-restraints excluded: chain B residue 529 LEU Chi-restraints excluded: chain B residue 536 ASN Chi-restraints excluded: chain B residue 539 LEU Chi-restraints excluded: chain B residue 575 LEU Chi-restraints excluded: chain B residue 586 ILE Chi-restraints excluded: chain B residue 614 VAL Chi-restraints excluded: chain B residue 631 LEU Chi-restraints excluded: chain B residue 635 THR Chi-restraints excluded: chain B residue 669 ASP Chi-restraints excluded: chain B residue 680 THR Chi-restraints excluded: chain B residue 695 TYR Chi-restraints excluded: chain B residue 737 LEU Chi-restraints excluded: chain B residue 757 PHE Chi-restraints excluded: chain B residue 771 PHE Chi-restraints excluded: chain B residue 772 ASN Chi-restraints excluded: chain B residue 815 VAL Chi-restraints excluded: chain B residue 924 MET Chi-restraints excluded: chain B residue 971 ASP Chi-restraints excluded: chain B residue 1081 TYR Chi-restraints excluded: chain B residue 1108 GLU Chi-restraints excluded: chain B residue 1133 HIS Chi-restraints excluded: chain B residue 1158 ASN Chi-restraints excluded: chain B residue 1172 ASP Chi-restraints excluded: chain B residue 1184 ILE Chi-restraints excluded: chain B residue 1191 VAL Chi-restraints excluded: chain B residue 1204 LEU Chi-restraints excluded: chain B residue 1257 VAL Chi-restraints excluded: chain B residue 1597 VAL Chi-restraints excluded: chain B residue 1613 LEU Chi-restraints excluded: chain B residue 1630 CYS Chi-restraints excluded: chain B residue 1641 ILE Chi-restraints excluded: chain B residue 1680 ARG Chi-restraints excluded: chain B residue 1695 LEU Chi-restraints excluded: chain B residue 1703 LEU Chi-restraints excluded: chain B residue 1731 LEU Chi-restraints excluded: chain B residue 1768 THR Chi-restraints excluded: chain B residue 1786 LEU Chi-restraints excluded: chain B residue 1798 LEU Chi-restraints excluded: chain B residue 1813 ARG Chi-restraints excluded: chain B residue 1842 LEU Chi-restraints excluded: chain B residue 1849 LEU Chi-restraints excluded: chain B residue 1850 VAL Chi-restraints excluded: chain B residue 1857 GLU Chi-restraints excluded: chain B residue 1866 ILE Chi-restraints excluded: chain B residue 1927 LEU Chi-restraints excluded: chain B residue 1928 GLN Chi-restraints excluded: chain B residue 1939 MET Chi-restraints excluded: chain B residue 1943 LEU Chi-restraints excluded: chain B residue 1966 VAL Chi-restraints excluded: chain B residue 2030 ASP Chi-restraints excluded: chain B residue 2098 VAL Chi-restraints excluded: chain B residue 2101 MET Chi-restraints excluded: chain B residue 2102 VAL Chi-restraints excluded: chain B residue 2117 VAL Chi-restraints excluded: chain B residue 2125 HIS Chi-restraints excluded: chain B residue 2166 LEU Chi-restraints excluded: chain B residue 2186 MET Chi-restraints excluded: chain B residue 2187 ASN Chi-restraints excluded: chain B residue 2229 VAL Chi-restraints excluded: chain B residue 2254 LEU Chi-restraints excluded: chain B residue 2260 ASN Chi-restraints excluded: chain B residue 2279 SER Chi-restraints excluded: chain B residue 2291 GLN Chi-restraints excluded: chain B residue 2301 TYR Chi-restraints excluded: chain B residue 2349 ASN Chi-restraints excluded: chain B residue 2357 LEU Chi-restraints excluded: chain B residue 2377 LEU Chi-restraints excluded: chain B residue 2440 MET Chi-restraints excluded: chain B residue 2457 LEU Chi-restraints excluded: chain B residue 2740 VAL Chi-restraints excluded: chain B residue 2768 PHE Chi-restraints excluded: chain B residue 2804 ILE Chi-restraints excluded: chain B residue 2811 GLU Chi-restraints excluded: chain B residue 2816 MET Chi-restraints excluded: chain B residue 2885 THR Chi-restraints excluded: chain B residue 2902 HIS Chi-restraints excluded: chain B residue 2929 PHE Chi-restraints excluded: chain B residue 2935 TYR Chi-restraints excluded: chain B residue 3697 PRO Chi-restraints excluded: chain B residue 3719 ASP Chi-restraints excluded: chain B residue 3751 VAL Chi-restraints excluded: chain B residue 3763 LEU Chi-restraints excluded: chain B residue 3773 ARG Chi-restraints excluded: chain B residue 3786 CYS Chi-restraints excluded: chain B residue 3790 THR Chi-restraints excluded: chain B residue 3796 SER Chi-restraints excluded: chain B residue 3798 LEU Chi-restraints excluded: chain B residue 3812 VAL Chi-restraints excluded: chain B residue 3816 MET Chi-restraints excluded: chain B residue 3838 THR Chi-restraints excluded: chain B residue 3875 MET Chi-restraints excluded: chain B residue 3907 THR Chi-restraints excluded: chain B residue 3916 ILE Chi-restraints excluded: chain B residue 3920 VAL Chi-restraints excluded: chain B residue 3931 SER Chi-restraints excluded: chain B residue 3937 TYR Chi-restraints excluded: chain B residue 3957 VAL Chi-restraints excluded: chain B residue 3961 VAL Chi-restraints excluded: chain B residue 3973 CYS Chi-restraints excluded: chain B residue 3974 THR Chi-restraints excluded: chain B residue 3990 VAL Chi-restraints excluded: chain B residue 4020 GLN Chi-restraints excluded: chain B residue 4030 LEU Chi-restraints excluded: chain B residue 4034 ASN Chi-restraints excluded: chain B residue 4036 VAL Chi-restraints excluded: chain B residue 4045 VAL Chi-restraints excluded: chain B residue 4046 ASP Chi-restraints excluded: chain B residue 4065 PHE Chi-restraints excluded: chain B residue 4097 MET Chi-restraints excluded: chain B residue 4098 ASP Chi-restraints excluded: chain B residue 4103 PHE Chi-restraints excluded: chain B residue 4139 ILE Chi-restraints excluded: chain B residue 4143 VAL Chi-restraints excluded: chain B residue 4154 VAL Chi-restraints excluded: chain B residue 4184 MET Chi-restraints excluded: chain B residue 4200 THR Chi-restraints excluded: chain B residue 4209 GLN Chi-restraints excluded: chain B residue 4241 THR Chi-restraints excluded: chain B residue 4245 MET Chi-restraints excluded: chain B residue 4560 TYR Chi-restraints excluded: chain B residue 4565 LEU Chi-restraints excluded: chain B residue 4568 PHE Chi-restraints excluded: chain B residue 4575 PHE Chi-restraints excluded: chain B residue 4577 LEU Chi-restraints excluded: chain B residue 4630 TYR Chi-restraints excluded: chain B residue 4631 PHE Chi-restraints excluded: chain B residue 4643 LEU Chi-restraints excluded: chain B residue 4649 LEU Chi-restraints excluded: chain B residue 4652 LEU Chi-restraints excluded: chain B residue 4653 VAL Chi-restraints excluded: chain B residue 4682 GLU Chi-restraints excluded: chain B residue 4684 ASP Chi-restraints excluded: chain B residue 4688 ILE Chi-restraints excluded: chain B residue 4694 ASP Chi-restraints excluded: chain B residue 4701 TRP Chi-restraints excluded: chain B residue 4740 LEU Chi-restraints excluded: chain B residue 4770 SER Chi-restraints excluded: chain B residue 4777 ILE Chi-restraints excluded: chain B residue 4786 ASP Chi-restraints excluded: chain B residue 4792 LEU Chi-restraints excluded: chain B residue 4818 MET Chi-restraints excluded: chain B residue 4838 VAL Chi-restraints excluded: chain B residue 4854 VAL Chi-restraints excluded: chain B residue 4862 PHE Chi-restraints excluded: chain B residue 4877 ASP Chi-restraints excluded: chain B residue 4915 VAL Chi-restraints excluded: chain B residue 4918 ILE Chi-restraints excluded: chain B residue 4922 PHE Chi-restraints excluded: chain B residue 4928 LEU Chi-restraints excluded: chain B residue 4960 ILE Chi-restraints excluded: chain B residue 4979 THR Chi-restraints excluded: chain B residue 4990 PHE Chi-restraints excluded: chain B residue 5010 VAL Chi-restraints excluded: chain B residue 5016 GLU Chi-restraints excluded: chain B residue 5027 CYS Chi-restraints excluded: chain C residue 14 LEU Chi-restraints excluded: chain C residue 17 ASP Chi-restraints excluded: chain C residue 18 ASP Chi-restraints excluded: chain C residue 76 ARG Chi-restraints excluded: chain C residue 109 LEU Chi-restraints excluded: chain C residue 111 HIS Chi-restraints excluded: chain C residue 121 LEU Chi-restraints excluded: chain C residue 123 THR Chi-restraints excluded: chain C residue 134 ASP Chi-restraints excluded: chain C residue 135 VAL Chi-restraints excluded: chain C residue 144 GLU Chi-restraints excluded: chain C residue 152 PRO Chi-restraints excluded: chain C residue 165 VAL Chi-restraints excluded: chain C residue 173 SER Chi-restraints excluded: chain C residue 176 SER Chi-restraints excluded: chain C residue 244 LEU Chi-restraints excluded: chain C residue 247 TYR Chi-restraints excluded: chain C residue 259 LEU Chi-restraints excluded: chain C residue 262 LEU Chi-restraints excluded: chain C residue 263 GLU Chi-restraints excluded: chain C residue 299 LEU Chi-restraints excluded: chain C residue 313 SER Chi-restraints excluded: chain C residue 315 CYS Chi-restraints excluded: chain C residue 345 LEU Chi-restraints excluded: chain C residue 391 THR Chi-restraints excluded: chain C residue 403 MET Chi-restraints excluded: chain C residue 407 THR Chi-restraints excluded: chain C residue 462 GLU Chi-restraints excluded: chain C residue 471 LEU Chi-restraints excluded: chain C residue 491 ILE Chi-restraints excluded: chain C residue 513 GLU Chi-restraints excluded: chain C residue 522 LEU Chi-restraints excluded: chain C residue 529 LEU Chi-restraints excluded: chain C residue 536 ASN Chi-restraints excluded: chain C residue 539 LEU Chi-restraints excluded: chain C residue 575 LEU Chi-restraints excluded: chain C residue 586 ILE Chi-restraints excluded: chain C residue 614 VAL Chi-restraints excluded: chain C residue 631 LEU Chi-restraints excluded: chain C residue 635 THR Chi-restraints excluded: chain C residue 669 ASP Chi-restraints excluded: chain C residue 680 THR Chi-restraints excluded: chain C residue 695 TYR Chi-restraints excluded: chain C residue 737 LEU Chi-restraints excluded: chain C residue 757 PHE Chi-restraints excluded: chain C residue 771 PHE Chi-restraints excluded: chain C residue 772 ASN Chi-restraints excluded: chain C residue 815 VAL Chi-restraints excluded: chain C residue 924 MET Chi-restraints excluded: chain C residue 971 ASP Chi-restraints excluded: chain C residue 1081 TYR Chi-restraints excluded: chain C residue 1108 GLU Chi-restraints excluded: chain C residue 1133 HIS Chi-restraints excluded: chain C residue 1158 ASN Chi-restraints excluded: chain C residue 1172 ASP Chi-restraints excluded: chain C residue 1184 ILE Chi-restraints excluded: chain C residue 1191 VAL Chi-restraints excluded: chain C residue 1204 LEU Chi-restraints excluded: chain C residue 1257 VAL Chi-restraints excluded: chain C residue 1597 VAL Chi-restraints excluded: chain C residue 1613 LEU Chi-restraints excluded: chain C residue 1630 CYS Chi-restraints excluded: chain C residue 1641 ILE Chi-restraints excluded: chain C residue 1680 ARG Chi-restraints excluded: chain C residue 1695 LEU Chi-restraints excluded: chain C residue 1703 LEU Chi-restraints excluded: chain C residue 1731 LEU Chi-restraints excluded: chain C residue 1768 THR Chi-restraints excluded: chain C residue 1786 LEU Chi-restraints excluded: chain C residue 1798 LEU Chi-restraints excluded: chain C residue 1813 ARG Chi-restraints excluded: chain C residue 1842 LEU Chi-restraints excluded: chain C residue 1849 LEU Chi-restraints excluded: chain C residue 1850 VAL Chi-restraints excluded: chain C residue 1857 GLU Chi-restraints excluded: chain C residue 1866 ILE Chi-restraints excluded: chain C residue 1927 LEU Chi-restraints excluded: chain C residue 1928 GLN Chi-restraints excluded: chain C residue 1939 MET Chi-restraints excluded: chain C residue 1943 LEU Chi-restraints excluded: chain C residue 1966 VAL Chi-restraints excluded: chain C residue 2030 ASP Chi-restraints excluded: chain C residue 2098 VAL Chi-restraints excluded: chain C residue 2101 MET Chi-restraints excluded: chain C residue 2102 VAL Chi-restraints excluded: chain C residue 2117 VAL Chi-restraints excluded: chain C residue 2125 HIS Chi-restraints excluded: chain C residue 2166 LEU Chi-restraints excluded: chain C residue 2186 MET Chi-restraints excluded: chain C residue 2187 ASN Chi-restraints excluded: chain C residue 2229 VAL Chi-restraints excluded: chain C residue 2254 LEU Chi-restraints excluded: chain C residue 2260 ASN Chi-restraints excluded: chain C residue 2279 SER Chi-restraints excluded: chain C residue 2291 GLN Chi-restraints excluded: chain C residue 2301 TYR Chi-restraints excluded: chain C residue 2349 ASN Chi-restraints excluded: chain C residue 2357 LEU Chi-restraints excluded: chain C residue 2377 LEU Chi-restraints excluded: chain C residue 2440 MET Chi-restraints excluded: chain C residue 2457 LEU Chi-restraints excluded: chain C residue 2740 VAL Chi-restraints excluded: chain C residue 2768 PHE Chi-restraints excluded: chain C residue 2804 ILE Chi-restraints excluded: chain C residue 2811 GLU Chi-restraints excluded: chain C residue 2816 MET Chi-restraints excluded: chain C residue 2885 THR Chi-restraints excluded: chain C residue 2902 HIS Chi-restraints excluded: chain C residue 2929 PHE Chi-restraints excluded: chain C residue 2935 TYR Chi-restraints excluded: chain C residue 3697 PRO Chi-restraints excluded: chain C residue 3719 ASP Chi-restraints excluded: chain C residue 3751 VAL Chi-restraints excluded: chain C residue 3763 LEU Chi-restraints excluded: chain C residue 3773 ARG Chi-restraints excluded: chain C residue 3786 CYS Chi-restraints excluded: chain C residue 3790 THR Chi-restraints excluded: chain C residue 3796 SER Chi-restraints excluded: chain C residue 3798 LEU Chi-restraints excluded: chain C residue 3812 VAL Chi-restraints excluded: chain C residue 3816 MET Chi-restraints excluded: chain C residue 3838 THR Chi-restraints excluded: chain C residue 3875 MET Chi-restraints excluded: chain C residue 3907 THR Chi-restraints excluded: chain C residue 3916 ILE Chi-restraints excluded: chain C residue 3920 VAL Chi-restraints excluded: chain C residue 3931 SER Chi-restraints excluded: chain C residue 3937 TYR Chi-restraints excluded: chain C residue 3957 VAL Chi-restraints excluded: chain C residue 3961 VAL Chi-restraints excluded: chain C residue 3973 CYS Chi-restraints excluded: chain C residue 3974 THR Chi-restraints excluded: chain C residue 3990 VAL Chi-restraints excluded: chain C residue 4020 GLN Chi-restraints excluded: chain C residue 4030 LEU Chi-restraints excluded: chain C residue 4034 ASN Chi-restraints excluded: chain C residue 4036 VAL Chi-restraints excluded: chain C residue 4045 VAL Chi-restraints excluded: chain C residue 4046 ASP Chi-restraints excluded: chain C residue 4065 PHE Chi-restraints excluded: chain C residue 4097 MET Chi-restraints excluded: chain C residue 4098 ASP Chi-restraints excluded: chain C residue 4103 PHE Chi-restraints excluded: chain C residue 4139 ILE Chi-restraints excluded: chain C residue 4143 VAL Chi-restraints excluded: chain C residue 4154 VAL Chi-restraints excluded: chain C residue 4184 MET Chi-restraints excluded: chain C residue 4190 ILE Chi-restraints excluded: chain C residue 4200 THR Chi-restraints excluded: chain C residue 4241 THR Chi-restraints excluded: chain C residue 4245 MET Chi-restraints excluded: chain C residue 4560 TYR Chi-restraints excluded: chain C residue 4565 LEU Chi-restraints excluded: chain C residue 4568 PHE Chi-restraints excluded: chain C residue 4575 PHE Chi-restraints excluded: chain C residue 4577 LEU Chi-restraints excluded: chain C residue 4630 TYR Chi-restraints excluded: chain C residue 4631 PHE Chi-restraints excluded: chain C residue 4643 LEU Chi-restraints excluded: chain C residue 4649 LEU Chi-restraints excluded: chain C residue 4652 LEU Chi-restraints excluded: chain C residue 4653 VAL Chi-restraints excluded: chain C residue 4675 LYS Chi-restraints excluded: chain C residue 4682 GLU Chi-restraints excluded: chain C residue 4684 ASP Chi-restraints excluded: chain C residue 4688 ILE Chi-restraints excluded: chain C residue 4694 ASP Chi-restraints excluded: chain C residue 4701 TRP Chi-restraints excluded: chain C residue 4740 LEU Chi-restraints excluded: chain C residue 4770 SER Chi-restraints excluded: chain C residue 4777 ILE Chi-restraints excluded: chain C residue 4786 ASP Chi-restraints excluded: chain C residue 4792 LEU Chi-restraints excluded: chain C residue 4818 MET Chi-restraints excluded: chain C residue 4838 VAL Chi-restraints excluded: chain C residue 4854 VAL Chi-restraints excluded: chain C residue 4862 PHE Chi-restraints excluded: chain C residue 4877 ASP Chi-restraints excluded: chain C residue 4915 VAL Chi-restraints excluded: chain C residue 4918 ILE Chi-restraints excluded: chain C residue 4922 PHE Chi-restraints excluded: chain C residue 4960 ILE Chi-restraints excluded: chain C residue 4979 THR Chi-restraints excluded: chain C residue 4990 PHE Chi-restraints excluded: chain C residue 5010 VAL Chi-restraints excluded: chain C residue 5016 GLU Chi-restraints excluded: chain C residue 5027 CYS Chi-restraints excluded: chain D residue 14 LEU Chi-restraints excluded: chain D residue 17 ASP Chi-restraints excluded: chain D residue 18 ASP Chi-restraints excluded: chain D residue 76 ARG Chi-restraints excluded: chain D residue 109 LEU Chi-restraints excluded: chain D residue 111 HIS Chi-restraints excluded: chain D residue 121 LEU Chi-restraints excluded: chain D residue 123 THR Chi-restraints excluded: chain D residue 134 ASP Chi-restraints excluded: chain D residue 135 VAL Chi-restraints excluded: chain D residue 144 GLU Chi-restraints excluded: chain D residue 152 PRO Chi-restraints excluded: chain D residue 165 VAL Chi-restraints excluded: chain D residue 173 SER Chi-restraints excluded: chain D residue 176 SER Chi-restraints excluded: chain D residue 244 LEU Chi-restraints excluded: chain D residue 247 TYR Chi-restraints excluded: chain D residue 259 LEU Chi-restraints excluded: chain D residue 262 LEU Chi-restraints excluded: chain D residue 263 GLU Chi-restraints excluded: chain D residue 299 LEU Chi-restraints excluded: chain D residue 313 SER Chi-restraints excluded: chain D residue 315 CYS Chi-restraints excluded: chain D residue 345 LEU Chi-restraints excluded: chain D residue 391 THR Chi-restraints excluded: chain D residue 403 MET Chi-restraints excluded: chain D residue 407 THR Chi-restraints excluded: chain D residue 462 GLU Chi-restraints excluded: chain D residue 471 LEU Chi-restraints excluded: chain D residue 491 ILE Chi-restraints excluded: chain D residue 513 GLU Chi-restraints excluded: chain D residue 522 LEU Chi-restraints excluded: chain D residue 529 LEU Chi-restraints excluded: chain D residue 536 ASN Chi-restraints excluded: chain D residue 539 LEU Chi-restraints excluded: chain D residue 575 LEU Chi-restraints excluded: chain D residue 586 ILE Chi-restraints excluded: chain D residue 614 VAL Chi-restraints excluded: chain D residue 631 LEU Chi-restraints excluded: chain D residue 635 THR Chi-restraints excluded: chain D residue 669 ASP Chi-restraints excluded: chain D residue 680 THR Chi-restraints excluded: chain D residue 695 TYR Chi-restraints excluded: chain D residue 737 LEU Chi-restraints excluded: chain D residue 757 PHE Chi-restraints excluded: chain D residue 771 PHE Chi-restraints excluded: chain D residue 772 ASN Chi-restraints excluded: chain D residue 815 VAL Chi-restraints excluded: chain D residue 924 MET Chi-restraints excluded: chain D residue 971 ASP Chi-restraints excluded: chain D residue 1081 TYR Chi-restraints excluded: chain D residue 1108 GLU Chi-restraints excluded: chain D residue 1133 HIS Chi-restraints excluded: chain D residue 1158 ASN Chi-restraints excluded: chain D residue 1172 ASP Chi-restraints excluded: chain D residue 1184 ILE Chi-restraints excluded: chain D residue 1191 VAL Chi-restraints excluded: chain D residue 1204 LEU Chi-restraints excluded: chain D residue 1257 VAL Chi-restraints excluded: chain D residue 1597 VAL Chi-restraints excluded: chain D residue 1613 LEU Chi-restraints excluded: chain D residue 1630 CYS Chi-restraints excluded: chain D residue 1641 ILE Chi-restraints excluded: chain D residue 1680 ARG Chi-restraints excluded: chain D residue 1695 LEU Chi-restraints excluded: chain D residue 1703 LEU Chi-restraints excluded: chain D residue 1731 LEU Chi-restraints excluded: chain D residue 1768 THR Chi-restraints excluded: chain D residue 1786 LEU Chi-restraints excluded: chain D residue 1798 LEU Chi-restraints excluded: chain D residue 1813 ARG Chi-restraints excluded: chain D residue 1842 LEU Chi-restraints excluded: chain D residue 1849 LEU Chi-restraints excluded: chain D residue 1850 VAL Chi-restraints excluded: chain D residue 1857 GLU Chi-restraints excluded: chain D residue 1866 ILE Chi-restraints excluded: chain D residue 1927 LEU Chi-restraints excluded: chain D residue 1928 GLN Chi-restraints excluded: chain D residue 1939 MET Chi-restraints excluded: chain D residue 1943 LEU Chi-restraints excluded: chain D residue 1966 VAL Chi-restraints excluded: chain D residue 2030 ASP Chi-restraints excluded: chain D residue 2098 VAL Chi-restraints excluded: chain D residue 2101 MET Chi-restraints excluded: chain D residue 2102 VAL Chi-restraints excluded: chain D residue 2117 VAL Chi-restraints excluded: chain D residue 2125 HIS Chi-restraints excluded: chain D residue 2166 LEU Chi-restraints excluded: chain D residue 2186 MET Chi-restraints excluded: chain D residue 2187 ASN Chi-restraints excluded: chain D residue 2229 VAL Chi-restraints excluded: chain D residue 2254 LEU Chi-restraints excluded: chain D residue 2260 ASN Chi-restraints excluded: chain D residue 2279 SER Chi-restraints excluded: chain D residue 2291 GLN Chi-restraints excluded: chain D residue 2301 TYR Chi-restraints excluded: chain D residue 2349 ASN Chi-restraints excluded: chain D residue 2357 LEU Chi-restraints excluded: chain D residue 2377 LEU Chi-restraints excluded: chain D residue 2440 MET Chi-restraints excluded: chain D residue 2457 LEU Chi-restraints excluded: chain D residue 2740 VAL Chi-restraints excluded: chain D residue 2768 PHE Chi-restraints excluded: chain D residue 2804 ILE Chi-restraints excluded: chain D residue 2811 GLU Chi-restraints excluded: chain D residue 2816 MET Chi-restraints excluded: chain D residue 2885 THR Chi-restraints excluded: chain D residue 2902 HIS Chi-restraints excluded: chain D residue 2929 PHE Chi-restraints excluded: chain D residue 2935 TYR Chi-restraints excluded: chain D residue 3697 PRO Chi-restraints excluded: chain D residue 3719 ASP Chi-restraints excluded: chain D residue 3751 VAL Chi-restraints excluded: chain D residue 3763 LEU Chi-restraints excluded: chain D residue 3773 ARG Chi-restraints excluded: chain D residue 3786 CYS Chi-restraints excluded: chain D residue 3790 THR Chi-restraints excluded: chain D residue 3796 SER Chi-restraints excluded: chain D residue 3798 LEU Chi-restraints excluded: chain D residue 3812 VAL Chi-restraints excluded: chain D residue 3816 MET Chi-restraints excluded: chain D residue 3838 THR Chi-restraints excluded: chain D residue 3875 MET Chi-restraints excluded: chain D residue 3907 THR Chi-restraints excluded: chain D residue 3916 ILE Chi-restraints excluded: chain D residue 3920 VAL Chi-restraints excluded: chain D residue 3931 SER Chi-restraints excluded: chain D residue 3937 TYR Chi-restraints excluded: chain D residue 3957 VAL Chi-restraints excluded: chain D residue 3961 VAL Chi-restraints excluded: chain D residue 3973 CYS Chi-restraints excluded: chain D residue 3974 THR Chi-restraints excluded: chain D residue 3990 VAL Chi-restraints excluded: chain D residue 4020 GLN Chi-restraints excluded: chain D residue 4030 LEU Chi-restraints excluded: chain D residue 4034 ASN Chi-restraints excluded: chain D residue 4036 VAL Chi-restraints excluded: chain D residue 4045 VAL Chi-restraints excluded: chain D residue 4046 ASP Chi-restraints excluded: chain D residue 4065 PHE Chi-restraints excluded: chain D residue 4097 MET Chi-restraints excluded: chain D residue 4098 ASP Chi-restraints excluded: chain D residue 4103 PHE Chi-restraints excluded: chain D residue 4139 ILE Chi-restraints excluded: chain D residue 4143 VAL Chi-restraints excluded: chain D residue 4154 VAL Chi-restraints excluded: chain D residue 4184 MET Chi-restraints excluded: chain D residue 4190 ILE Chi-restraints excluded: chain D residue 4200 THR Chi-restraints excluded: chain D residue 4241 THR Chi-restraints excluded: chain D residue 4245 MET Chi-restraints excluded: chain D residue 4247 ILE Chi-restraints excluded: chain D residue 4560 TYR Chi-restraints excluded: chain D residue 4565 LEU Chi-restraints excluded: chain D residue 4568 PHE Chi-restraints excluded: chain D residue 4575 PHE Chi-restraints excluded: chain D residue 4630 TYR Chi-restraints excluded: chain D residue 4631 PHE Chi-restraints excluded: chain D residue 4643 LEU Chi-restraints excluded: chain D residue 4649 LEU Chi-restraints excluded: chain D residue 4652 LEU Chi-restraints excluded: chain D residue 4653 VAL Chi-restraints excluded: chain D residue 4682 GLU Chi-restraints excluded: chain D residue 4684 ASP Chi-restraints excluded: chain D residue 4688 ILE Chi-restraints excluded: chain D residue 4694 ASP Chi-restraints excluded: chain D residue 4701 TRP Chi-restraints excluded: chain D residue 4704 LEU Chi-restraints excluded: chain D residue 4740 LEU Chi-restraints excluded: chain D residue 4770 SER Chi-restraints excluded: chain D residue 4777 ILE Chi-restraints excluded: chain D residue 4786 ASP Chi-restraints excluded: chain D residue 4792 LEU Chi-restraints excluded: chain D residue 4818 MET Chi-restraints excluded: chain D residue 4838 VAL Chi-restraints excluded: chain D residue 4854 VAL Chi-restraints excluded: chain D residue 4862 PHE Chi-restraints excluded: chain D residue 4877 ASP Chi-restraints excluded: chain D residue 4915 VAL Chi-restraints excluded: chain D residue 4918 ILE Chi-restraints excluded: chain D residue 4922 PHE Chi-restraints excluded: chain D residue 4960 ILE Chi-restraints excluded: chain D residue 4979 THR Chi-restraints excluded: chain D residue 4985 LEU Chi-restraints excluded: chain D residue 4990 PHE Chi-restraints excluded: chain D residue 5010 VAL Chi-restraints excluded: chain D residue 5016 GLU Chi-restraints excluded: chain D residue 5027 CYS Rotamers are restrained with sigma=4.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 0 random chunks: chunk None optimal weight: 9.9990 overall best weight: 50.0000 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** A 57 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 105 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 255 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 284 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 308 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 460 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 461 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 479 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A 495 ASN ** A 610 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 624 ASN ** A 705 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 725 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 772 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 949 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1158 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1165 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1231 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1640 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1665 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1837 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A1861 GLN ** A1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2032 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2161 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2184 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2324 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2877 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2924 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2931 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3900 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3927 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A3970 GLN ** A4223 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4650 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4700 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A4832 HIS ** A4978 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 23 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 57 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 105 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 255 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 284 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 308 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 460 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 479 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 495 ASN ** B 610 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 618 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 624 ASN ** B 705 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 725 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 772 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 949 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1158 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1165 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1640 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1665 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1837 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B1861 GLN ** B1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2032 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B2036 GLN ** B2161 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2184 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2324 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2877 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2924 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2931 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3900 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3927 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3970 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4209 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4223 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4650 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4700 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B4832 HIS ** B4987 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B5003 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 57 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 105 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 255 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 284 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 308 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 460 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 461 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 479 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 495 ASN ** C 610 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 618 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 624 ASN ** C 705 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 725 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 772 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 949 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1158 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1165 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C1231 GLN ** C1640 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1665 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1837 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C1861 GLN ** C1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2032 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2161 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2184 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2324 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2877 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2924 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2931 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3900 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3927 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C3970 GLN ** C4223 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4650 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4700 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C4832 HIS ** C4978 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4987 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 57 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 105 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 255 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 284 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 308 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 460 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 479 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D 495 ASN ** D 610 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D 624 ASN ** D 705 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 725 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 772 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 949 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1158 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1165 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1231 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1640 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1665 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1837 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D1861 GLN ** D1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2032 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2161 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2184 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2324 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2877 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2924 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2931 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D3704 HIS ** D3900 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3927 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3970 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4223 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4650 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4700 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D4832 HIS ** D4978 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4987 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D5003 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 21 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8220 moved from start: 1.3005 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.029 0.282 119724 Z= 1.887 Angle : 2.613 31.825 163324 Z= 1.329 Chirality : 0.102 0.920 19116 Planarity : 0.019 0.248 21488 Dihedral : 13.493 141.235 17724 Min Nonbonded Distance : 1.716 Molprobity Statistics. All-atom Clashscore : 136.73 Ramachandran Plot: Outliers : 2.89 % Allowed : 30.71 % Favored : 66.40 % Rotamer: Outliers : 22.17 % Allowed : 25.33 % Favored : 52.50 % Cbeta Deviations : 0.18 % Peptide Plane: Cis-proline : 0.64 % Cis-general : 0.00 % Twisted Proline : 8.12 % Twisted General : 3.18 % 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: -6.57 (0.05), residues: 12924 helix: -4.44 (0.04), residues: 5208 sheet: -3.47 (0.15), residues: 808 loop : -4.56 (0.06), residues: 6908 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.078 0.009 TRP C4205 HIS 0.033 0.008 HIS B1696 PHE 0.084 0.010 PHE A4077 TYR 0.091 0.010 TYR D4177 ARG 0.038 0.003 ARG C1661 *********************** REFINEMENT MACRO_CYCLE 3 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 25848 Ramachandran restraints generated. 12924 Oldfield, 0 Emsley, 12924 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 25848 Ramachandran restraints generated. 12924 Oldfield, 0 Emsley, 12924 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 2727 residues out of total 11344 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2210 poor density : 517 time to evaluate : 8.953 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 12 GLN cc_start: 0.8371 (OUTLIER) cc_final: 0.7812 (mm110) REVERT: A 15 ARG cc_start: 0.8173 (OUTLIER) cc_final: 0.7897 (ttm-80) REVERT: A 67 PHE cc_start: 0.9209 (OUTLIER) cc_final: 0.8704 (m-80) REVERT: A 71 GLN cc_start: 0.8850 (OUTLIER) cc_final: 0.8566 (pm20) REVERT: A 72 SER cc_start: 0.8870 (OUTLIER) cc_final: 0.8569 (t) REVERT: A 102 LEU cc_start: 0.8602 (OUTLIER) cc_final: 0.8339 (mp) REVERT: A 144 GLU cc_start: 0.8321 (OUTLIER) cc_final: 0.7997 (pm20) REVERT: A 172 VAL cc_start: 0.9082 (OUTLIER) cc_final: 0.8814 (t) REVERT: A 210 GLU cc_start: 0.8874 (OUTLIER) cc_final: 0.8610 (tm-30) REVERT: A 244 LEU cc_start: 0.8825 (OUTLIER) cc_final: 0.8409 (pp) REVERT: A 394 GLN cc_start: 0.6593 (OUTLIER) cc_final: 0.6139 (mp10) REVERT: A 411 TYR cc_start: 0.9016 (OUTLIER) cc_final: 0.8674 (m-80) REVERT: A 471 LEU cc_start: 0.9667 (OUTLIER) cc_final: 0.9457 (pp) REVERT: A 475 GLN cc_start: 0.9201 (OUTLIER) cc_final: 0.8708 (pm20) REVERT: A 497 TYR cc_start: 0.8927 (OUTLIER) cc_final: 0.8581 (m-80) REVERT: A 573 GLU cc_start: 0.9431 (OUTLIER) cc_final: 0.8742 (pp20) REVERT: A 574 VAL cc_start: 0.9705 (OUTLIER) cc_final: 0.9483 (t) REVERT: A 801 LYS cc_start: 0.9546 (OUTLIER) cc_final: 0.9327 (tppt) REVERT: A 893 TYR cc_start: 0.7827 (OUTLIER) cc_final: 0.7606 (t80) REVERT: A 960 MET cc_start: 0.7629 (mpp) cc_final: 0.6060 (tpp) REVERT: A 961 MET cc_start: 0.5506 (mpp) cc_final: 0.2775 (ptt) REVERT: A 1054 GLU cc_start: 0.0646 (OUTLIER) cc_final: 0.0444 (tm-30) REVERT: A 1132 TRP cc_start: 0.8045 (OUTLIER) cc_final: 0.7757 (m-10) REVERT: A 1170 MET cc_start: 0.8229 (OUTLIER) cc_final: 0.7996 (tpp) REVERT: A 1254 HIS cc_start: 0.8809 (OUTLIER) cc_final: 0.8476 (m-70) REVERT: A 1260 MET cc_start: 0.8136 (ppp) cc_final: 0.7595 (ppp) REVERT: A 1605 TRP cc_start: 0.8951 (OUTLIER) cc_final: 0.8158 (m-10) REVERT: A 1630 CYS cc_start: 0.7356 (OUTLIER) cc_final: 0.6937 (m) REVERT: A 1772 ARG cc_start: 0.8724 (OUTLIER) cc_final: 0.7903 (mmt180) REVERT: A 1786 LEU cc_start: 0.5834 (OUTLIER) cc_final: 0.5483 (mp) REVERT: A 1813 ARG cc_start: 0.8929 (OUTLIER) cc_final: 0.8051 (ptm-80) REVERT: A 1937 LEU cc_start: 0.9072 (OUTLIER) cc_final: 0.8853 (pp) REVERT: A 1997 GLU cc_start: 0.7173 (OUTLIER) cc_final: 0.6620 (mp0) REVERT: A 2118 ARG cc_start: 0.9200 (OUTLIER) cc_final: 0.8881 (ttp80) REVERT: A 2186 MET cc_start: 0.9421 (OUTLIER) cc_final: 0.8846 (mmm) REVERT: A 2250 MET cc_start: 0.8585 (OUTLIER) cc_final: 0.8375 (tpp) REVERT: A 2742 THR cc_start: 0.7729 (OUTLIER) cc_final: 0.7529 (p) REVERT: A 2811 GLU cc_start: 0.8709 (OUTLIER) cc_final: 0.8234 (pm20) REVERT: A 2935 TYR cc_start: 0.6276 (OUTLIER) cc_final: 0.5299 (m-80) REVERT: A 3697 PRO cc_start: 0.9405 (OUTLIER) cc_final: 0.9132 (Cg_endo) REVERT: A 3715 LYS cc_start: 0.9334 (tmtt) cc_final: 0.8982 (tmtt) REVERT: A 3729 MET cc_start: 0.8596 (ppp) cc_final: 0.8375 (ppp) REVERT: A 3896 ASN cc_start: 0.9445 (OUTLIER) cc_final: 0.9189 (m110) REVERT: A 3929 SER cc_start: 0.8842 (OUTLIER) cc_final: 0.8432 (t) REVERT: A 4020 GLN cc_start: 0.9156 (OUTLIER) cc_final: 0.8824 (mp10) REVERT: A 4039 MET cc_start: 0.9108 (tpt) cc_final: 0.8808 (tmm) REVERT: A 4133 GLN cc_start: 0.8838 (OUTLIER) cc_final: 0.8573 (tp40) REVERT: A 4195 PHE cc_start: 0.9167 (OUTLIER) cc_final: 0.8345 (p90) REVERT: A 4212 GLU cc_start: 0.9310 (OUTLIER) cc_final: 0.9012 (pp20) REVERT: A 4798 MET cc_start: 0.7892 (tmm) cc_final: 0.7653 (tmm) REVERT: A 4849 TYR cc_start: 0.8886 (OUTLIER) cc_final: 0.8465 (t80) REVERT: A 4913 ARG cc_start: 0.8221 (OUTLIER) cc_final: 0.7792 (ttm170) REVERT: A 4946 GLN cc_start: 0.9296 (OUTLIER) cc_final: 0.9018 (pp30) REVERT: B 12 GLN cc_start: 0.8303 (OUTLIER) cc_final: 0.7833 (mm110) REVERT: B 15 ARG cc_start: 0.8195 (OUTLIER) cc_final: 0.7781 (ttm-80) REVERT: B 67 PHE cc_start: 0.9204 (OUTLIER) cc_final: 0.8698 (m-80) REVERT: B 71 GLN cc_start: 0.8852 (OUTLIER) cc_final: 0.8589 (pm20) REVERT: B 72 SER cc_start: 0.8827 (OUTLIER) cc_final: 0.8553 (t) REVERT: B 102 LEU cc_start: 0.8671 (OUTLIER) cc_final: 0.8390 (mp) REVERT: B 172 VAL cc_start: 0.9082 (OUTLIER) cc_final: 0.8818 (t) REVERT: B 210 GLU cc_start: 0.8884 (OUTLIER) cc_final: 0.8622 (tm-30) REVERT: B 244 LEU cc_start: 0.8827 (OUTLIER) cc_final: 0.8412 (pp) REVERT: B 411 TYR cc_start: 0.9003 (OUTLIER) cc_final: 0.8672 (m-80) REVERT: B 471 LEU cc_start: 0.9659 (OUTLIER) cc_final: 0.9440 (pp) REVERT: B 475 GLN cc_start: 0.9198 (OUTLIER) cc_final: 0.8718 (pm20) REVERT: B 497 TYR cc_start: 0.8965 (OUTLIER) cc_final: 0.8505 (m-80) REVERT: B 573 GLU cc_start: 0.9427 (OUTLIER) cc_final: 0.8735 (pp20) REVERT: B 574 VAL cc_start: 0.9703 (OUTLIER) cc_final: 0.9481 (t) REVERT: B 801 LYS cc_start: 0.9561 (OUTLIER) cc_final: 0.9346 (tppt) REVERT: B 893 TYR cc_start: 0.7840 (OUTLIER) cc_final: 0.7616 (t80) REVERT: B 960 MET cc_start: 0.7614 (mpp) cc_final: 0.5979 (tpp) REVERT: B 961 MET cc_start: 0.5455 (mpp) cc_final: 0.2823 (ptt) REVERT: B 1132 TRP cc_start: 0.8046 (OUTLIER) cc_final: 0.7759 (m-10) REVERT: B 1170 MET cc_start: 0.8227 (OUTLIER) cc_final: 0.8002 (tpp) REVERT: B 1254 HIS cc_start: 0.8775 (OUTLIER) cc_final: 0.8479 (m-70) REVERT: B 1260 MET cc_start: 0.8140 (ppp) cc_final: 0.7651 (ppp) REVERT: B 1605 TRP cc_start: 0.8950 (OUTLIER) cc_final: 0.8154 (m-10) REVERT: B 1630 CYS cc_start: 0.7351 (OUTLIER) cc_final: 0.6959 (m) REVERT: B 1680 ARG cc_start: 0.9157 (OUTLIER) cc_final: 0.8951 (tpt90) REVERT: B 1772 ARG cc_start: 0.8731 (OUTLIER) cc_final: 0.7918 (mmt180) REVERT: B 1786 LEU cc_start: 0.5782 (OUTLIER) cc_final: 0.5412 (mp) REVERT: B 1813 ARG cc_start: 0.8946 (OUTLIER) cc_final: 0.8077 (ptm-80) REVERT: B 1997 GLU cc_start: 0.7030 (OUTLIER) cc_final: 0.6518 (mp0) REVERT: B 2118 ARG cc_start: 0.9188 (OUTLIER) cc_final: 0.8872 (ttp80) REVERT: B 2186 MET cc_start: 0.9427 (OUTLIER) cc_final: 0.8875 (mmm) REVERT: B 2250 MET cc_start: 0.8602 (OUTLIER) cc_final: 0.8391 (tpp) REVERT: B 2811 GLU cc_start: 0.8707 (OUTLIER) cc_final: 0.8231 (pm20) REVERT: B 2935 TYR cc_start: 0.6297 (OUTLIER) cc_final: 0.5287 (m-80) REVERT: B 3697 PRO cc_start: 0.9404 (OUTLIER) cc_final: 0.9132 (Cg_endo) REVERT: B 3715 LYS cc_start: 0.9334 (tmtt) cc_final: 0.8983 (tmtt) REVERT: B 3729 MET cc_start: 0.8602 (ppp) cc_final: 0.8382 (ppp) REVERT: B 3896 ASN cc_start: 0.9441 (OUTLIER) cc_final: 0.9096 (m110) REVERT: B 4020 GLN cc_start: 0.9157 (OUTLIER) cc_final: 0.8827 (mp10) REVERT: B 4039 MET cc_start: 0.9109 (tpt) cc_final: 0.8811 (tmm) REVERT: B 4133 GLN cc_start: 0.8828 (OUTLIER) cc_final: 0.8566 (tp40) REVERT: B 4150 LEU cc_start: 0.9593 (OUTLIER) cc_final: 0.9382 (mm) REVERT: B 4195 PHE cc_start: 0.9174 (OUTLIER) cc_final: 0.8337 (p90) REVERT: B 4209 GLN cc_start: 0.9156 (OUTLIER) cc_final: 0.8574 (pp30) REVERT: B 4798 MET cc_start: 0.7912 (tmm) cc_final: 0.7671 (tmm) REVERT: B 4849 TYR cc_start: 0.8885 (OUTLIER) cc_final: 0.8459 (t80) REVERT: B 4913 ARG cc_start: 0.8221 (OUTLIER) cc_final: 0.7796 (ttm170) REVERT: B 4946 GLN cc_start: 0.9309 (OUTLIER) cc_final: 0.9021 (pp30) REVERT: C 12 GLN cc_start: 0.8369 (OUTLIER) cc_final: 0.7803 (mm110) REVERT: C 15 ARG cc_start: 0.8261 (OUTLIER) cc_final: 0.7908 (ttm-80) REVERT: C 67 PHE cc_start: 0.9207 (OUTLIER) cc_final: 0.8700 (m-80) REVERT: C 71 GLN cc_start: 0.8851 (OUTLIER) cc_final: 0.8582 (pm20) REVERT: C 72 SER cc_start: 0.8861 (OUTLIER) cc_final: 0.8571 (t) REVERT: C 102 LEU cc_start: 0.8629 (OUTLIER) cc_final: 0.8337 (mp) REVERT: C 144 GLU cc_start: 0.8331 (OUTLIER) cc_final: 0.8001 (pm20) REVERT: C 172 VAL cc_start: 0.9091 (OUTLIER) cc_final: 0.8824 (t) REVERT: C 210 GLU cc_start: 0.8880 (OUTLIER) cc_final: 0.8613 (tm-30) REVERT: C 244 LEU cc_start: 0.8826 (OUTLIER) cc_final: 0.8409 (pp) REVERT: C 355 LEU cc_start: 0.9155 (OUTLIER) cc_final: 0.8912 (mp) REVERT: C 394 GLN cc_start: 0.6594 (OUTLIER) cc_final: 0.6132 (mp10) REVERT: C 411 TYR cc_start: 0.9016 (OUTLIER) cc_final: 0.8673 (m-80) REVERT: C 471 LEU cc_start: 0.9662 (OUTLIER) cc_final: 0.9450 (pp) REVERT: C 475 GLN cc_start: 0.9202 (OUTLIER) cc_final: 0.8711 (pm20) REVERT: C 497 TYR cc_start: 0.8924 (OUTLIER) cc_final: 0.8586 (m-80) REVERT: C 573 GLU cc_start: 0.9430 (OUTLIER) cc_final: 0.8738 (pp20) REVERT: C 574 VAL cc_start: 0.9704 (OUTLIER) cc_final: 0.9480 (t) REVERT: C 801 LYS cc_start: 0.9556 (OUTLIER) cc_final: 0.9342 (tppt) REVERT: C 893 TYR cc_start: 0.7833 (OUTLIER) cc_final: 0.7610 (t80) REVERT: C 960 MET cc_start: 0.7612 (mpp) cc_final: 0.5994 (tpp) REVERT: C 961 MET cc_start: 0.5461 (mpp) cc_final: 0.2829 (ptt) REVERT: C 1132 TRP cc_start: 0.8043 (OUTLIER) cc_final: 0.7754 (m-10) REVERT: C 1170 MET cc_start: 0.8226 (OUTLIER) cc_final: 0.7999 (tpp) REVERT: C 1254 HIS cc_start: 0.8808 (OUTLIER) cc_final: 0.8479 (m-70) REVERT: C 1260 MET cc_start: 0.8132 (ppp) cc_final: 0.7592 (ppp) REVERT: C 1605 TRP cc_start: 0.8959 (OUTLIER) cc_final: 0.8159 (m-10) REVERT: C 1630 CYS cc_start: 0.7354 (OUTLIER) cc_final: 0.6958 (m) REVERT: C 1772 ARG cc_start: 0.8723 (OUTLIER) cc_final: 0.7907 (mmt180) REVERT: C 1786 LEU cc_start: 0.5783 (OUTLIER) cc_final: 0.5422 (mp) REVERT: C 1813 ARG cc_start: 0.8928 (OUTLIER) cc_final: 0.8046 (ptm-80) REVERT: C 1997 GLU cc_start: 0.7026 (OUTLIER) cc_final: 0.6511 (mp0) REVERT: C 2118 ARG cc_start: 0.9199 (OUTLIER) cc_final: 0.8879 (ttp80) REVERT: C 2186 MET cc_start: 0.9422 (OUTLIER) cc_final: 0.8849 (mmm) REVERT: C 2250 MET cc_start: 0.8583 (OUTLIER) cc_final: 0.8371 (tpp) REVERT: C 2742 THR cc_start: 0.7686 (OUTLIER) cc_final: 0.7477 (p) REVERT: C 2811 GLU cc_start: 0.8742 (OUTLIER) cc_final: 0.8339 (pm20) REVERT: C 2935 TYR cc_start: 0.6298 (OUTLIER) cc_final: 0.5288 (m-80) REVERT: C 3697 PRO cc_start: 0.9404 (OUTLIER) cc_final: 0.9131 (Cg_endo) REVERT: C 3715 LYS cc_start: 0.9335 (tmtt) cc_final: 0.8983 (tmtt) REVERT: C 3729 MET cc_start: 0.8596 (ppp) cc_final: 0.8377 (ppp) REVERT: C 3896 ASN cc_start: 0.9443 (OUTLIER) cc_final: 0.9189 (m110) REVERT: C 3929 SER cc_start: 0.8843 (OUTLIER) cc_final: 0.8431 (t) REVERT: C 4020 GLN cc_start: 0.9156 (OUTLIER) cc_final: 0.8837 (mp10) REVERT: C 4039 MET cc_start: 0.9112 (tpt) cc_final: 0.8814 (tmm) REVERT: C 4150 LEU cc_start: 0.9590 (OUTLIER) cc_final: 0.9377 (mm) REVERT: C 4195 PHE cc_start: 0.9173 (OUTLIER) cc_final: 0.8355 (p90) REVERT: C 4212 GLU cc_start: 0.9291 (OUTLIER) cc_final: 0.8995 (pp20) REVERT: C 4798 MET cc_start: 0.7892 (tmm) cc_final: 0.7653 (tmm) REVERT: C 4849 TYR cc_start: 0.8867 (OUTLIER) cc_final: 0.8436 (t80) REVERT: C 4913 ARG cc_start: 0.8220 (OUTLIER) cc_final: 0.7792 (ttm170) REVERT: D 12 GLN cc_start: 0.8309 (OUTLIER) cc_final: 0.7834 (mm110) REVERT: D 15 ARG cc_start: 0.8248 (OUTLIER) cc_final: 0.7862 (ttm-80) REVERT: D 67 PHE cc_start: 0.9202 (OUTLIER) cc_final: 0.8694 (m-80) REVERT: D 71 GLN cc_start: 0.8846 (OUTLIER) cc_final: 0.8578 (pm20) REVERT: D 72 SER cc_start: 0.8825 (OUTLIER) cc_final: 0.8550 (t) REVERT: D 102 LEU cc_start: 0.8666 (OUTLIER) cc_final: 0.8386 (mp) REVERT: D 172 VAL cc_start: 0.9079 (OUTLIER) cc_final: 0.8814 (t) REVERT: D 210 GLU cc_start: 0.8882 (OUTLIER) cc_final: 0.8621 (tm-30) REVERT: D 244 LEU cc_start: 0.8829 (OUTLIER) cc_final: 0.8416 (pp) REVERT: D 355 LEU cc_start: 0.9173 (OUTLIER) cc_final: 0.8934 (mp) REVERT: D 394 GLN cc_start: 0.6596 (OUTLIER) cc_final: 0.6129 (mp10) REVERT: D 411 TYR cc_start: 0.9015 (OUTLIER) cc_final: 0.8673 (m-80) REVERT: D 471 LEU cc_start: 0.9657 (OUTLIER) cc_final: 0.9435 (pp) REVERT: D 475 GLN cc_start: 0.9198 (OUTLIER) cc_final: 0.8712 (pm20) REVERT: D 497 TYR cc_start: 0.8957 (OUTLIER) cc_final: 0.8515 (m-80) REVERT: D 573 GLU cc_start: 0.9427 (OUTLIER) cc_final: 0.8740 (pp20) REVERT: D 574 VAL cc_start: 0.9704 (OUTLIER) cc_final: 0.9483 (t) REVERT: D 801 LYS cc_start: 0.9548 (OUTLIER) cc_final: 0.9330 (tppt) REVERT: D 893 TYR cc_start: 0.7834 (OUTLIER) cc_final: 0.7609 (t80) REVERT: D 960 MET cc_start: 0.7615 (mpp) cc_final: 0.5989 (tpp) REVERT: D 961 MET cc_start: 0.5448 (mpp) cc_final: 0.2822 (ptt) REVERT: D 1132 TRP cc_start: 0.8045 (OUTLIER) cc_final: 0.7755 (m-10) REVERT: D 1170 MET cc_start: 0.8223 (OUTLIER) cc_final: 0.7993 (tpp) REVERT: D 1254 HIS cc_start: 0.8797 (OUTLIER) cc_final: 0.8476 (m-70) REVERT: D 1260 MET cc_start: 0.8135 (ppp) cc_final: 0.7596 (ppp) REVERT: D 1605 TRP cc_start: 0.8958 (OUTLIER) cc_final: 0.8155 (m-10) REVERT: D 1630 CYS cc_start: 0.7352 (OUTLIER) cc_final: 0.6933 (m) REVERT: D 1772 ARG cc_start: 0.8726 (OUTLIER) cc_final: 0.7928 (mmt180) REVERT: D 1786 LEU cc_start: 0.5832 (OUTLIER) cc_final: 0.5482 (mp) REVERT: D 1813 ARG cc_start: 0.8928 (OUTLIER) cc_final: 0.8030 (ptm-80) REVERT: D 1937 LEU cc_start: 0.9070 (OUTLIER) cc_final: 0.8853 (pp) REVERT: D 1997 GLU cc_start: 0.6972 (OUTLIER) cc_final: 0.6445 (mp0) REVERT: D 2118 ARG cc_start: 0.9210 (OUTLIER) cc_final: 0.8914 (ttp80) REVERT: D 2120 MET cc_start: 0.8910 (OUTLIER) cc_final: 0.8688 (ppp) REVERT: D 2186 MET cc_start: 0.9422 (OUTLIER) cc_final: 0.8846 (mmm) REVERT: D 2250 MET cc_start: 0.8585 (OUTLIER) cc_final: 0.8374 (tpp) REVERT: D 2741 GLU cc_start: 0.7268 (OUTLIER) cc_final: 0.7068 (tm-30) REVERT: D 2742 THR cc_start: 0.7701 (OUTLIER) cc_final: 0.7495 (p) REVERT: D 2811 GLU cc_start: 0.8746 (OUTLIER) cc_final: 0.8337 (pm20) REVERT: D 2935 TYR cc_start: 0.6291 (OUTLIER) cc_final: 0.5308 (m-80) REVERT: D 3697 PRO cc_start: 0.9404 (OUTLIER) cc_final: 0.9132 (Cg_endo) REVERT: D 3715 LYS cc_start: 0.9333 (tmtt) cc_final: 0.8982 (tmtt) REVERT: D 3729 MET cc_start: 0.8585 (ppp) cc_final: 0.8365 (ppp) REVERT: D 3896 ASN cc_start: 0.9447 (OUTLIER) cc_final: 0.9199 (m110) REVERT: D 4020 GLN cc_start: 0.9153 (OUTLIER) cc_final: 0.8831 (mp10) REVERT: D 4133 GLN cc_start: 0.8834 (OUTLIER) cc_final: 0.8572 (tp40) REVERT: D 4150 LEU cc_start: 0.9590 (OUTLIER) cc_final: 0.9380 (mm) REVERT: D 4195 PHE cc_start: 0.9168 (OUTLIER) cc_final: 0.8307 (p90) REVERT: D 4212 GLU cc_start: 0.9310 (OUTLIER) cc_final: 0.8994 (pp20) REVERT: D 4798 MET cc_start: 0.7951 (tmm) cc_final: 0.7718 (tmm) REVERT: D 4849 TYR cc_start: 0.8884 (OUTLIER) cc_final: 0.8427 (t80) REVERT: D 4913 ARG cc_start: 0.8223 (OUTLIER) cc_final: 0.7798 (ttm170) REVERT: D 4946 GLN cc_start: 0.9301 (OUTLIER) cc_final: 0.9021 (pp30) REVERT: D 4954 MET cc_start: 0.6375 (OUTLIER) cc_final: 0.5925 (mtp) outliers start: 2210 outliers final: 1293 residues processed: 2593 average time/residue: 0.8945 time to fit residues: 4161.9141 Evaluate side-chains 1980 residues out of total 11344 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 1473 poor density : 507 time to evaluate : 8.769 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 12 GLN Chi-restraints excluded: chain A residue 15 ARG Chi-restraints excluded: chain A residue 17 ASP Chi-restraints excluded: chain A residue 18 ASP Chi-restraints excluded: chain A residue 40 GLU Chi-restraints excluded: chain A residue 52 THR Chi-restraints excluded: chain A residue 62 LEU Chi-restraints excluded: chain A residue 67 PHE Chi-restraints excluded: chain A residue 70 GLU Chi-restraints excluded: chain A residue 71 GLN Chi-restraints excluded: chain A residue 72 SER Chi-restraints excluded: chain A residue 76 ARG Chi-restraints excluded: chain A residue 78 LEU Chi-restraints excluded: chain A residue 100 THR Chi-restraints excluded: chain A residue 102 LEU Chi-restraints excluded: chain A residue 109 LEU Chi-restraints excluded: chain A residue 111 HIS Chi-restraints excluded: chain A residue 113 HIS Chi-restraints excluded: chain A residue 121 LEU Chi-restraints excluded: chain A residue 134 ASP Chi-restraints excluded: chain A residue 144 GLU Chi-restraints excluded: chain A residue 163 VAL Chi-restraints excluded: chain A residue 167 ASP Chi-restraints excluded: chain A residue 169 LEU Chi-restraints excluded: chain A residue 172 VAL Chi-restraints excluded: chain A residue 176 SER Chi-restraints excluded: chain A residue 179 TYR Chi-restraints excluded: chain A residue 181 HIS Chi-restraints excluded: chain A residue 210 GLU Chi-restraints excluded: chain A residue 222 LEU Chi-restraints excluded: chain A residue 232 THR Chi-restraints excluded: chain A residue 244 LEU Chi-restraints excluded: chain A residue 270 SER Chi-restraints excluded: chain A residue 282 ILE Chi-restraints excluded: chain A residue 299 LEU Chi-restraints excluded: chain A residue 301 VAL Chi-restraints excluded: chain A residue 313 SER Chi-restraints excluded: chain A residue 343 GLU Chi-restraints excluded: chain A residue 345 LEU Chi-restraints excluded: chain A residue 355 LEU Chi-restraints excluded: chain A residue 372 LEU Chi-restraints excluded: chain A residue 385 ASP Chi-restraints excluded: chain A residue 390 LEU Chi-restraints excluded: chain A residue 391 THR Chi-restraints excluded: chain A residue 394 GLN Chi-restraints excluded: chain A residue 396 GLU Chi-restraints excluded: chain A residue 397 GLU Chi-restraints excluded: chain A residue 403 MET Chi-restraints excluded: chain A residue 411 TYR Chi-restraints excluded: chain A residue 415 ILE Chi-restraints excluded: chain A residue 438 ILE Chi-restraints excluded: chain A residue 439 GLU Chi-restraints excluded: chain A residue 442 ILE Chi-restraints excluded: chain A residue 447 ASP Chi-restraints excluded: chain A residue 455 PRO Chi-restraints excluded: chain A residue 462 GLU Chi-restraints excluded: chain A residue 471 LEU Chi-restraints excluded: chain A residue 475 GLN Chi-restraints excluded: chain A residue 483 MET Chi-restraints excluded: chain A residue 486 LEU Chi-restraints excluded: chain A residue 491 ILE Chi-restraints excluded: chain A residue 497 TYR Chi-restraints excluded: chain A residue 513 GLU Chi-restraints excluded: chain A residue 514 SER Chi-restraints excluded: chain A residue 515 TRP Chi-restraints excluded: chain A residue 517 GLU Chi-restraints excluded: chain A residue 522 LEU Chi-restraints excluded: chain A residue 533 ASN Chi-restraints excluded: chain A residue 536 ASN Chi-restraints excluded: chain A residue 539 LEU Chi-restraints excluded: chain A residue 541 SER Chi-restraints excluded: chain A residue 547 VAL Chi-restraints excluded: chain A residue 561 LEU Chi-restraints excluded: chain A residue 563 VAL Chi-restraints excluded: chain A residue 564 LEU Chi-restraints excluded: chain A residue 569 ILE Chi-restraints excluded: chain A residue 573 GLU Chi-restraints excluded: chain A residue 574 VAL Chi-restraints excluded: chain A residue 575 LEU Chi-restraints excluded: chain A residue 579 GLN Chi-restraints excluded: chain A residue 586 ILE Chi-restraints excluded: chain A residue 590 LEU Chi-restraints excluded: chain A residue 591 ASP Chi-restraints excluded: chain A residue 599 VAL Chi-restraints excluded: chain A residue 609 CYS Chi-restraints excluded: chain A residue 614 VAL Chi-restraints excluded: chain A residue 635 THR Chi-restraints excluded: chain A residue 638 ILE Chi-restraints excluded: chain A residue 642 THR Chi-restraints excluded: chain A residue 665 GLU Chi-restraints excluded: chain A residue 671 VAL Chi-restraints excluded: chain A residue 695 TYR Chi-restraints excluded: chain A residue 702 TRP Chi-restraints excluded: chain A residue 709 ASP Chi-restraints excluded: chain A residue 760 ASN Chi-restraints excluded: chain A residue 801 LYS Chi-restraints excluded: chain A residue 829 TYR Chi-restraints excluded: chain A residue 839 LEU Chi-restraints excluded: chain A residue 867 LEU Chi-restraints excluded: chain A residue 881 LEU Chi-restraints excluded: chain A residue 892 THR Chi-restraints excluded: chain A residue 893 TYR Chi-restraints excluded: chain A residue 900 ASN Chi-restraints excluded: chain A residue 908 VAL Chi-restraints excluded: chain A residue 923 GLN Chi-restraints excluded: chain A residue 924 MET Chi-restraints excluded: chain A residue 972 LEU Chi-restraints excluded: chain A residue 974 HIS Chi-restraints excluded: chain A residue 978 THR Chi-restraints excluded: chain A residue 1036 ARG Chi-restraints excluded: chain A residue 1037 ASP Chi-restraints excluded: chain A residue 1054 GLU Chi-restraints excluded: chain A residue 1081 TYR Chi-restraints excluded: chain A residue 1101 ARG Chi-restraints excluded: chain A residue 1108 GLU Chi-restraints excluded: chain A residue 1132 TRP Chi-restraints excluded: chain A residue 1133 HIS Chi-restraints excluded: chain A residue 1134 LEU Chi-restraints excluded: chain A residue 1139 PHE Chi-restraints excluded: chain A residue 1143 TRP Chi-restraints excluded: chain A residue 1155 LEU Chi-restraints excluded: chain A residue 1163 THR Chi-restraints excluded: chain A residue 1169 LEU Chi-restraints excluded: chain A residue 1170 MET Chi-restraints excluded: chain A residue 1172 ASP Chi-restraints excluded: chain A residue 1181 GLU Chi-restraints excluded: chain A residue 1184 ILE Chi-restraints excluded: chain A residue 1191 VAL Chi-restraints excluded: chain A residue 1204 LEU Chi-restraints excluded: chain A residue 1240 LYS Chi-restraints excluded: chain A residue 1242 LEU Chi-restraints excluded: chain A residue 1251 GLU Chi-restraints excluded: chain A residue 1254 HIS Chi-restraints excluded: chain A residue 1597 VAL Chi-restraints excluded: chain A residue 1600 LEU Chi-restraints excluded: chain A residue 1605 TRP Chi-restraints excluded: chain A residue 1630 CYS Chi-restraints excluded: chain A residue 1641 ILE Chi-restraints excluded: chain A residue 1657 LEU Chi-restraints excluded: chain A residue 1666 THR Chi-restraints excluded: chain A residue 1673 VAL Chi-restraints excluded: chain A residue 1695 LEU Chi-restraints excluded: chain A residue 1700 ASP Chi-restraints excluded: chain A residue 1707 LEU Chi-restraints excluded: chain A residue 1713 ASP Chi-restraints excluded: chain A residue 1720 LEU Chi-restraints excluded: chain A residue 1731 LEU Chi-restraints excluded: chain A residue 1743 ARG Chi-restraints excluded: chain A residue 1768 THR Chi-restraints excluded: chain A residue 1772 ARG Chi-restraints excluded: chain A residue 1786 LEU Chi-restraints excluded: chain A residue 1798 LEU Chi-restraints excluded: chain A residue 1813 ARG Chi-restraints excluded: chain A residue 1839 VAL Chi-restraints excluded: chain A residue 1842 LEU Chi-restraints excluded: chain A residue 1848 LEU Chi-restraints excluded: chain A residue 1850 VAL Chi-restraints excluded: chain A residue 1857 GLU Chi-restraints excluded: chain A residue 1866 ILE Chi-restraints excluded: chain A residue 1937 LEU Chi-restraints excluded: chain A residue 1939 MET Chi-restraints excluded: chain A residue 1942 LEU Chi-restraints excluded: chain A residue 1943 LEU Chi-restraints excluded: chain A residue 1944 GLU Chi-restraints excluded: chain A residue 1961 PHE Chi-restraints excluded: chain A residue 1963 GLU Chi-restraints excluded: chain A residue 1966 VAL Chi-restraints excluded: chain A residue 1976 ARG Chi-restraints excluded: chain A residue 1997 GLU Chi-restraints excluded: chain A residue 2009 LEU Chi-restraints excluded: chain A residue 2030 ASP Chi-restraints excluded: chain A residue 2031 LEU Chi-restraints excluded: chain A residue 2095 GLN Chi-restraints excluded: chain A residue 2098 VAL Chi-restraints excluded: chain A residue 2101 MET Chi-restraints excluded: chain A residue 2102 VAL Chi-restraints excluded: chain A residue 2103 VAL Chi-restraints excluded: chain A residue 2115 GLU Chi-restraints excluded: chain A residue 2117 VAL Chi-restraints excluded: chain A residue 2118 ARG Chi-restraints excluded: chain A residue 2138 LEU Chi-restraints excluded: chain A residue 2143 THR Chi-restraints excluded: chain A residue 2150 GLU Chi-restraints excluded: chain A residue 2164 SER Chi-restraints excluded: chain A residue 2166 LEU Chi-restraints excluded: chain A residue 2178 MET Chi-restraints excluded: chain A residue 2180 GLN Chi-restraints excluded: chain A residue 2184 ASN Chi-restraints excluded: chain A residue 2185 ILE Chi-restraints excluded: chain A residue 2186 MET Chi-restraints excluded: chain A residue 2187 ASN Chi-restraints excluded: chain A residue 2204 HIS Chi-restraints excluded: chain A residue 2228 MET Chi-restraints excluded: chain A residue 2229 VAL Chi-restraints excluded: chain A residue 2237 CYS Chi-restraints excluded: chain A residue 2246 ASN Chi-restraints excluded: chain A residue 2250 MET Chi-restraints excluded: chain A residue 2254 LEU Chi-restraints excluded: chain A residue 2256 TYR Chi-restraints excluded: chain A residue 2258 LEU Chi-restraints excluded: chain A residue 2260 ASN Chi-restraints excluded: chain A residue 2267 MET Chi-restraints excluded: chain A residue 2271 THR Chi-restraints excluded: chain A residue 2275 VAL Chi-restraints excluded: chain A residue 2279 SER Chi-restraints excluded: chain A residue 2280 VAL Chi-restraints excluded: chain A residue 2292 GLU Chi-restraints excluded: chain A residue 2298 VAL Chi-restraints excluded: chain A residue 2341 VAL Chi-restraints excluded: chain A residue 2348 GLU Chi-restraints excluded: chain A residue 2349 ASN Chi-restraints excluded: chain A residue 2356 LEU Chi-restraints excluded: chain A residue 2357 LEU Chi-restraints excluded: chain A residue 2358 ILE Chi-restraints excluded: chain A residue 2376 LEU Chi-restraints excluded: chain A residue 2377 LEU Chi-restraints excluded: chain A residue 2380 ILE Chi-restraints excluded: chain A residue 2432 LEU Chi-restraints excluded: chain A residue 2433 LEU Chi-restraints excluded: chain A residue 2451 LEU Chi-restraints excluded: chain A residue 2460 LEU Chi-restraints excluded: chain A residue 2463 LEU Chi-restraints excluded: chain A residue 2466 LEU Chi-restraints excluded: chain A residue 2742 THR Chi-restraints excluded: chain A residue 2756 ASN Chi-restraints excluded: chain A residue 2773 ASN Chi-restraints excluded: chain A residue 2811 GLU Chi-restraints excluded: chain A residue 2816 MET Chi-restraints excluded: chain A residue 2855 TYR Chi-restraints excluded: chain A residue 2856 ASN Chi-restraints excluded: chain A residue 2867 LEU Chi-restraints excluded: chain A residue 2885 THR Chi-restraints excluded: chain A residue 2902 HIS Chi-restraints excluded: chain A residue 2906 VAL Chi-restraints excluded: chain A residue 2908 TYR Chi-restraints excluded: chain A residue 2911 LEU Chi-restraints excluded: chain A residue 2912 THR Chi-restraints excluded: chain A residue 2929 PHE Chi-restraints excluded: chain A residue 2935 TYR Chi-restraints excluded: chain A residue 3646 THR Chi-restraints excluded: chain A residue 3653 PHE Chi-restraints excluded: chain A residue 3661 TRP Chi-restraints excluded: chain A residue 3665 GLU Chi-restraints excluded: chain A residue 3676 ASP Chi-restraints excluded: chain A residue 3679 LYS Chi-restraints excluded: chain A residue 3697 PRO Chi-restraints excluded: chain A residue 3702 VAL Chi-restraints excluded: chain A residue 3708 THR Chi-restraints excluded: chain A residue 3714 SER Chi-restraints excluded: chain A residue 3719 ASP Chi-restraints excluded: chain A residue 3720 TYR Chi-restraints excluded: chain A residue 3722 TYR Chi-restraints excluded: chain A residue 3725 TYR Chi-restraints excluded: chain A residue 3727 ASP Chi-restraints excluded: chain A residue 3732 SER Chi-restraints excluded: chain A residue 3751 VAL Chi-restraints excluded: chain A residue 3763 LEU Chi-restraints excluded: chain A residue 3773 ARG Chi-restraints excluded: chain A residue 3787 LYS Chi-restraints excluded: chain A residue 3790 THR Chi-restraints excluded: chain A residue 3802 ILE Chi-restraints excluded: chain A residue 3816 MET Chi-restraints excluded: chain A residue 3838 THR Chi-restraints excluded: chain A residue 3843 ASP Chi-restraints excluded: chain A residue 3882 GLN Chi-restraints excluded: chain A residue 3883 ASP Chi-restraints excluded: chain A residue 3891 LEU Chi-restraints excluded: chain A residue 3895 HIS Chi-restraints excluded: chain A residue 3896 ASN Chi-restraints excluded: chain A residue 3913 ILE Chi-restraints excluded: chain A residue 3916 ILE Chi-restraints excluded: chain A residue 3920 VAL Chi-restraints excluded: chain A residue 3927 GLN Chi-restraints excluded: chain A residue 3929 SER Chi-restraints excluded: chain A residue 3937 TYR Chi-restraints excluded: chain A residue 3957 VAL Chi-restraints excluded: chain A residue 3961 VAL Chi-restraints excluded: chain A residue 3964 SER Chi-restraints excluded: chain A residue 3974 THR Chi-restraints excluded: chain A residue 3982 HIS Chi-restraints excluded: chain A residue 3987 ASP Chi-restraints excluded: chain A residue 3990 VAL Chi-restraints excluded: chain A residue 3993 LEU Chi-restraints excluded: chain A residue 3996 PHE Chi-restraints excluded: chain A residue 4013 LEU Chi-restraints excluded: chain A residue 4020 GLN Chi-restraints excluded: chain A residue 4022 ASP Chi-restraints excluded: chain A residue 4025 VAL Chi-restraints excluded: chain A residue 4030 LEU Chi-restraints excluded: chain A residue 4034 ASN Chi-restraints excluded: chain A residue 4036 VAL Chi-restraints excluded: chain A residue 4045 VAL Chi-restraints excluded: chain A residue 4046 ASP Chi-restraints excluded: chain A residue 4049 VAL Chi-restraints excluded: chain A residue 4066 LEU Chi-restraints excluded: chain A residue 4090 LYS Chi-restraints excluded: chain A residue 4102 GLN Chi-restraints excluded: chain A residue 4133 GLN Chi-restraints excluded: chain A residue 4139 ILE Chi-restraints excluded: chain A residue 4143 VAL Chi-restraints excluded: chain A residue 4146 LEU Chi-restraints excluded: chain A residue 4162 ASN Chi-restraints excluded: chain A residue 4164 LEU Chi-restraints excluded: chain A residue 4166 LEU Chi-restraints excluded: chain A residue 4181 ILE Chi-restraints excluded: chain A residue 4184 MET Chi-restraints excluded: chain A residue 4195 PHE Chi-restraints excluded: chain A residue 4200 THR Chi-restraints excluded: chain A residue 4212 GLU Chi-restraints excluded: chain A residue 4231 MET Chi-restraints excluded: chain A residue 4237 PHE Chi-restraints excluded: chain A residue 4251 ILE Chi-restraints excluded: chain A residue 4252 SER Chi-restraints excluded: chain A residue 4558 ASN Chi-restraints excluded: chain A residue 4565 LEU Chi-restraints excluded: chain A residue 4573 ILE Chi-restraints excluded: chain A residue 4575 PHE Chi-restraints excluded: chain A residue 4577 LEU Chi-restraints excluded: chain A residue 4630 TYR Chi-restraints excluded: chain A residue 4631 PHE Chi-restraints excluded: chain A residue 4638 TYR Chi-restraints excluded: chain A residue 4649 LEU Chi-restraints excluded: chain A residue 4652 LEU Chi-restraints excluded: chain A residue 4653 VAL Chi-restraints excluded: chain A residue 4656 LEU Chi-restraints excluded: chain A residue 4657 CYS Chi-restraints excluded: chain A residue 4668 LEU Chi-restraints excluded: chain A residue 4671 PHE Chi-restraints excluded: chain A residue 4677 LEU Chi-restraints excluded: chain A residue 4684 ASP Chi-restraints excluded: chain A residue 4688 ILE Chi-restraints excluded: chain A residue 4691 GLN Chi-restraints excluded: chain A residue 4694 ASP Chi-restraints excluded: chain A residue 4701 TRP Chi-restraints excluded: chain A residue 4720 VAL Chi-restraints excluded: chain A residue 4740 LEU Chi-restraints excluded: chain A residue 4743 MET Chi-restraints excluded: chain A residue 4770 SER Chi-restraints excluded: chain A residue 4777 ILE Chi-restraints excluded: chain A residue 4783 ILE Chi-restraints excluded: chain A residue 4786 ASP Chi-restraints excluded: chain A residue 4788 SER Chi-restraints excluded: chain A residue 4797 VAL Chi-restraints excluded: chain A residue 4800 LEU Chi-restraints excluded: chain A residue 4814 LEU Chi-restraints excluded: chain A residue 4818 MET Chi-restraints excluded: chain A residue 4827 LEU Chi-restraints excluded: chain A residue 4849 TYR Chi-restraints excluded: chain A residue 4853 VAL Chi-restraints excluded: chain A residue 4854 VAL Chi-restraints excluded: chain A residue 4870 ASP Chi-restraints excluded: chain A residue 4877 ASP Chi-restraints excluded: chain A residue 4904 PRO Chi-restraints excluded: chain A residue 4913 ARG Chi-restraints excluded: chain A residue 4915 VAL Chi-restraints excluded: chain A residue 4920 PHE Chi-restraints excluded: chain A residue 4921 PHE Chi-restraints excluded: chain A residue 4936 ILE Chi-restraints excluded: chain A residue 4940 PHE Chi-restraints excluded: chain A residue 4945 ASP Chi-restraints excluded: chain A residue 4946 GLN Chi-restraints excluded: chain A residue 4950 VAL Chi-restraints excluded: chain A residue 4966 ASP Chi-restraints excluded: chain A residue 4983 HIS Chi-restraints excluded: chain A residue 4990 PHE Chi-restraints excluded: chain A residue 5010 VAL Chi-restraints excluded: chain A residue 5013 MET Chi-restraints excluded: chain A residue 5020 ASP Chi-restraints excluded: chain A residue 5027 CYS Chi-restraints excluded: chain B residue 12 GLN Chi-restraints excluded: chain B residue 15 ARG Chi-restraints excluded: chain B residue 17 ASP Chi-restraints excluded: chain B residue 18 ASP Chi-restraints excluded: chain B residue 40 GLU Chi-restraints excluded: chain B residue 52 THR Chi-restraints excluded: chain B residue 67 PHE Chi-restraints excluded: chain B residue 70 GLU Chi-restraints excluded: chain B residue 71 GLN Chi-restraints excluded: chain B residue 72 SER Chi-restraints excluded: chain B residue 76 ARG Chi-restraints excluded: chain B residue 78 LEU Chi-restraints excluded: chain B residue 100 THR Chi-restraints excluded: chain B residue 102 LEU Chi-restraints excluded: chain B residue 109 LEU Chi-restraints excluded: chain B residue 111 HIS Chi-restraints excluded: chain B residue 113 HIS Chi-restraints excluded: chain B residue 121 LEU Chi-restraints excluded: chain B residue 134 ASP Chi-restraints excluded: chain B residue 144 GLU Chi-restraints excluded: chain B residue 163 VAL Chi-restraints excluded: chain B residue 167 ASP Chi-restraints excluded: chain B residue 169 LEU Chi-restraints excluded: chain B residue 172 VAL Chi-restraints excluded: chain B residue 176 SER Chi-restraints excluded: chain B residue 179 TYR Chi-restraints excluded: chain B residue 181 HIS Chi-restraints excluded: chain B residue 210 GLU Chi-restraints excluded: chain B residue 220 LEU Chi-restraints excluded: chain B residue 222 LEU Chi-restraints excluded: chain B residue 232 THR Chi-restraints excluded: chain B residue 244 LEU Chi-restraints excluded: chain B residue 270 SER Chi-restraints excluded: chain B residue 282 ILE Chi-restraints excluded: chain B residue 299 LEU Chi-restraints excluded: chain B residue 301 VAL Chi-restraints excluded: chain B residue 313 SER Chi-restraints excluded: chain B residue 315 CYS Chi-restraints excluded: chain B residue 343 GLU Chi-restraints excluded: chain B residue 345 LEU Chi-restraints excluded: chain B residue 355 LEU Chi-restraints excluded: chain B residue 372 LEU Chi-restraints excluded: chain B residue 385 ASP Chi-restraints excluded: chain B residue 390 LEU Chi-restraints excluded: chain B residue 391 THR Chi-restraints excluded: chain B residue 396 GLU Chi-restraints excluded: chain B residue 397 GLU Chi-restraints excluded: chain B residue 403 MET Chi-restraints excluded: chain B residue 411 TYR Chi-restraints excluded: chain B residue 415 ILE Chi-restraints excluded: chain B residue 438 ILE Chi-restraints excluded: chain B residue 439 GLU Chi-restraints excluded: chain B residue 447 ASP Chi-restraints excluded: chain B residue 455 PRO Chi-restraints excluded: chain B residue 462 GLU Chi-restraints excluded: chain B residue 463 GLU Chi-restraints excluded: chain B residue 471 LEU Chi-restraints excluded: chain B residue 475 GLN Chi-restraints excluded: chain B residue 483 MET Chi-restraints excluded: chain B residue 486 LEU Chi-restraints excluded: chain B residue 491 ILE Chi-restraints excluded: chain B residue 497 TYR Chi-restraints excluded: chain B residue 513 GLU Chi-restraints excluded: chain B residue 514 SER Chi-restraints excluded: chain B residue 515 TRP Chi-restraints excluded: chain B residue 517 GLU Chi-restraints excluded: chain B residue 522 LEU Chi-restraints excluded: chain B residue 533 ASN Chi-restraints excluded: chain B residue 536 ASN Chi-restraints excluded: chain B residue 539 LEU Chi-restraints excluded: chain B residue 541 SER Chi-restraints excluded: chain B residue 547 VAL Chi-restraints excluded: chain B residue 561 LEU Chi-restraints excluded: chain B residue 563 VAL Chi-restraints excluded: chain B residue 564 LEU Chi-restraints excluded: chain B residue 569 ILE Chi-restraints excluded: chain B residue 573 GLU Chi-restraints excluded: chain B residue 574 VAL Chi-restraints excluded: chain B residue 575 LEU Chi-restraints excluded: chain B residue 579 GLN Chi-restraints excluded: chain B residue 586 ILE Chi-restraints excluded: chain B residue 590 LEU Chi-restraints excluded: chain B residue 591 ASP Chi-restraints excluded: chain B residue 599 VAL Chi-restraints excluded: chain B residue 609 CYS Chi-restraints excluded: chain B residue 614 VAL Chi-restraints excluded: chain B residue 635 THR Chi-restraints excluded: chain B residue 638 ILE Chi-restraints excluded: chain B residue 642 THR Chi-restraints excluded: chain B residue 665 GLU Chi-restraints excluded: chain B residue 671 VAL Chi-restraints excluded: chain B residue 695 TYR Chi-restraints excluded: chain B residue 702 TRP Chi-restraints excluded: chain B residue 709 ASP Chi-restraints excluded: chain B residue 760 ASN Chi-restraints excluded: chain B residue 801 LYS Chi-restraints excluded: chain B residue 829 TYR Chi-restraints excluded: chain B residue 867 LEU Chi-restraints excluded: chain B residue 881 LEU Chi-restraints excluded: chain B residue 892 THR Chi-restraints excluded: chain B residue 893 TYR Chi-restraints excluded: chain B residue 900 ASN Chi-restraints excluded: chain B residue 908 VAL Chi-restraints excluded: chain B residue 923 GLN Chi-restraints excluded: chain B residue 924 MET Chi-restraints excluded: chain B residue 972 LEU Chi-restraints excluded: chain B residue 974 HIS Chi-restraints excluded: chain B residue 978 THR Chi-restraints excluded: chain B residue 1036 ARG Chi-restraints excluded: chain B residue 1037 ASP Chi-restraints excluded: chain B residue 1081 TYR Chi-restraints excluded: chain B residue 1101 ARG Chi-restraints excluded: chain B residue 1108 GLU Chi-restraints excluded: chain B residue 1132 TRP Chi-restraints excluded: chain B residue 1133 HIS Chi-restraints excluded: chain B residue 1134 LEU Chi-restraints excluded: chain B residue 1139 PHE Chi-restraints excluded: chain B residue 1143 TRP Chi-restraints excluded: chain B residue 1155 LEU Chi-restraints excluded: chain B residue 1163 THR Chi-restraints excluded: chain B residue 1169 LEU Chi-restraints excluded: chain B residue 1170 MET Chi-restraints excluded: chain B residue 1172 ASP Chi-restraints excluded: chain B residue 1181 GLU Chi-restraints excluded: chain B residue 1184 ILE Chi-restraints excluded: chain B residue 1191 VAL Chi-restraints excluded: chain B residue 1204 LEU Chi-restraints excluded: chain B residue 1240 LYS Chi-restraints excluded: chain B residue 1242 LEU Chi-restraints excluded: chain B residue 1251 GLU Chi-restraints excluded: chain B residue 1254 HIS Chi-restraints excluded: chain B residue 1597 VAL Chi-restraints excluded: chain B residue 1600 LEU Chi-restraints excluded: chain B residue 1605 TRP Chi-restraints excluded: chain B residue 1630 CYS Chi-restraints excluded: chain B residue 1641 ILE Chi-restraints excluded: chain B residue 1657 LEU Chi-restraints excluded: chain B residue 1666 THR Chi-restraints excluded: chain B residue 1673 VAL Chi-restraints excluded: chain B residue 1680 ARG Chi-restraints excluded: chain B residue 1695 LEU Chi-restraints excluded: chain B residue 1700 ASP Chi-restraints excluded: chain B residue 1707 LEU Chi-restraints excluded: chain B residue 1713 ASP Chi-restraints excluded: chain B residue 1720 LEU Chi-restraints excluded: chain B residue 1731 LEU Chi-restraints excluded: chain B residue 1743 ARG Chi-restraints excluded: chain B residue 1768 THR Chi-restraints excluded: chain B residue 1772 ARG Chi-restraints excluded: chain B residue 1786 LEU Chi-restraints excluded: chain B residue 1798 LEU Chi-restraints excluded: chain B residue 1813 ARG Chi-restraints excluded: chain B residue 1839 VAL Chi-restraints excluded: chain B residue 1842 LEU Chi-restraints excluded: chain B residue 1848 LEU Chi-restraints excluded: chain B residue 1850 VAL Chi-restraints excluded: chain B residue 1857 GLU Chi-restraints excluded: chain B residue 1866 ILE Chi-restraints excluded: chain B residue 1870 VAL Chi-restraints excluded: chain B residue 1939 MET Chi-restraints excluded: chain B residue 1942 LEU Chi-restraints excluded: chain B residue 1943 LEU Chi-restraints excluded: chain B residue 1944 GLU Chi-restraints excluded: chain B residue 1961 PHE Chi-restraints excluded: chain B residue 1963 GLU Chi-restraints excluded: chain B residue 1966 VAL Chi-restraints excluded: chain B residue 1976 ARG Chi-restraints excluded: chain B residue 1997 GLU Chi-restraints excluded: chain B residue 2009 LEU Chi-restraints excluded: chain B residue 2030 ASP Chi-restraints excluded: chain B residue 2031 LEU Chi-restraints excluded: chain B residue 2095 GLN Chi-restraints excluded: chain B residue 2098 VAL Chi-restraints excluded: chain B residue 2101 MET Chi-restraints excluded: chain B residue 2102 VAL Chi-restraints excluded: chain B residue 2103 VAL Chi-restraints excluded: chain B residue 2115 GLU Chi-restraints excluded: chain B residue 2117 VAL Chi-restraints excluded: chain B residue 2118 ARG Chi-restraints excluded: chain B residue 2138 LEU Chi-restraints excluded: chain B residue 2143 THR Chi-restraints excluded: chain B residue 2150 GLU Chi-restraints excluded: chain B residue 2164 SER Chi-restraints excluded: chain B residue 2166 LEU Chi-restraints excluded: chain B residue 2184 ASN Chi-restraints excluded: chain B residue 2185 ILE Chi-restraints excluded: chain B residue 2186 MET Chi-restraints excluded: chain B residue 2187 ASN Chi-restraints excluded: chain B residue 2203 MET Chi-restraints excluded: chain B residue 2228 MET Chi-restraints excluded: chain B residue 2229 VAL Chi-restraints excluded: chain B residue 2237 CYS Chi-restraints excluded: chain B residue 2246 ASN Chi-restraints excluded: chain B residue 2250 MET Chi-restraints excluded: chain B residue 2254 LEU Chi-restraints excluded: chain B residue 2256 TYR Chi-restraints excluded: chain B residue 2258 LEU Chi-restraints excluded: chain B residue 2260 ASN Chi-restraints excluded: chain B residue 2267 MET Chi-restraints excluded: chain B residue 2271 THR Chi-restraints excluded: chain B residue 2275 VAL Chi-restraints excluded: chain B residue 2279 SER Chi-restraints excluded: chain B residue 2280 VAL Chi-restraints excluded: chain B residue 2292 GLU Chi-restraints excluded: chain B residue 2298 VAL Chi-restraints excluded: chain B residue 2348 GLU Chi-restraints excluded: chain B residue 2349 ASN Chi-restraints excluded: chain B residue 2356 LEU Chi-restraints excluded: chain B residue 2357 LEU Chi-restraints excluded: chain B residue 2358 ILE Chi-restraints excluded: chain B residue 2376 LEU Chi-restraints excluded: chain B residue 2377 LEU Chi-restraints excluded: chain B residue 2380 ILE Chi-restraints excluded: chain B residue 2432 LEU Chi-restraints excluded: chain B residue 2451 LEU Chi-restraints excluded: chain B residue 2460 LEU Chi-restraints excluded: chain B residue 2463 LEU Chi-restraints excluded: chain B residue 2466 LEU Chi-restraints excluded: chain B residue 2756 ASN Chi-restraints excluded: chain B residue 2773 ASN Chi-restraints excluded: chain B residue 2811 GLU Chi-restraints excluded: chain B residue 2816 MET Chi-restraints excluded: chain B residue 2855 TYR Chi-restraints excluded: chain B residue 2856 ASN Chi-restraints excluded: chain B residue 2867 LEU Chi-restraints excluded: chain B residue 2885 THR Chi-restraints excluded: chain B residue 2902 HIS Chi-restraints excluded: chain B residue 2906 VAL Chi-restraints excluded: chain B residue 2908 TYR Chi-restraints excluded: chain B residue 2911 LEU Chi-restraints excluded: chain B residue 2912 THR Chi-restraints excluded: chain B residue 2929 PHE Chi-restraints excluded: chain B residue 2935 TYR Chi-restraints excluded: chain B residue 3646 THR Chi-restraints excluded: chain B residue 3653 PHE Chi-restraints excluded: chain B residue 3661 TRP Chi-restraints excluded: chain B residue 3665 GLU Chi-restraints excluded: chain B residue 3676 ASP Chi-restraints excluded: chain B residue 3679 LYS Chi-restraints excluded: chain B residue 3697 PRO Chi-restraints excluded: chain B residue 3702 VAL Chi-restraints excluded: chain B residue 3708 THR Chi-restraints excluded: chain B residue 3714 SER Chi-restraints excluded: chain B residue 3719 ASP Chi-restraints excluded: chain B residue 3720 TYR Chi-restraints excluded: chain B residue 3722 TYR Chi-restraints excluded: chain B residue 3725 TYR Chi-restraints excluded: chain B residue 3727 ASP Chi-restraints excluded: chain B residue 3732 SER Chi-restraints excluded: chain B residue 3751 VAL Chi-restraints excluded: chain B residue 3763 LEU Chi-restraints excluded: chain B residue 3773 ARG Chi-restraints excluded: chain B residue 3787 LYS Chi-restraints excluded: chain B residue 3790 THR Chi-restraints excluded: chain B residue 3802 ILE Chi-restraints excluded: chain B residue 3812 VAL Chi-restraints excluded: chain B residue 3816 MET Chi-restraints excluded: chain B residue 3838 THR Chi-restraints excluded: chain B residue 3843 ASP Chi-restraints excluded: chain B residue 3882 GLN Chi-restraints excluded: chain B residue 3883 ASP Chi-restraints excluded: chain B residue 3891 LEU Chi-restraints excluded: chain B residue 3895 HIS Chi-restraints excluded: chain B residue 3896 ASN Chi-restraints excluded: chain B residue 3913 ILE Chi-restraints excluded: chain B residue 3916 ILE Chi-restraints excluded: chain B residue 3920 VAL Chi-restraints excluded: chain B residue 3923 LEU Chi-restraints excluded: chain B residue 3937 TYR Chi-restraints excluded: chain B residue 3957 VAL Chi-restraints excluded: chain B residue 3961 VAL Chi-restraints excluded: chain B residue 3964 SER Chi-restraints excluded: chain B residue 3974 THR Chi-restraints excluded: chain B residue 3982 HIS Chi-restraints excluded: chain B residue 3987 ASP Chi-restraints excluded: chain B residue 3990 VAL Chi-restraints excluded: chain B residue 3993 LEU Chi-restraints excluded: chain B residue 3996 PHE Chi-restraints excluded: chain B residue 4013 LEU Chi-restraints excluded: chain B residue 4020 GLN Chi-restraints excluded: chain B residue 4022 ASP Chi-restraints excluded: chain B residue 4025 VAL Chi-restraints excluded: chain B residue 4030 LEU Chi-restraints excluded: chain B residue 4034 ASN Chi-restraints excluded: chain B residue 4036 VAL Chi-restraints excluded: chain B residue 4045 VAL Chi-restraints excluded: chain B residue 4046 ASP Chi-restraints excluded: chain B residue 4049 VAL Chi-restraints excluded: chain B residue 4066 LEU Chi-restraints excluded: chain B residue 4090 LYS Chi-restraints excluded: chain B residue 4102 GLN Chi-restraints excluded: chain B residue 4133 GLN Chi-restraints excluded: chain B residue 4139 ILE Chi-restraints excluded: chain B residue 4143 VAL Chi-restraints excluded: chain B residue 4146 LEU Chi-restraints excluded: chain B residue 4150 LEU Chi-restraints excluded: chain B residue 4159 ARG Chi-restraints excluded: chain B residue 4162 ASN Chi-restraints excluded: chain B residue 4164 LEU Chi-restraints excluded: chain B residue 4166 LEU Chi-restraints excluded: chain B residue 4181 ILE Chi-restraints excluded: chain B residue 4184 MET Chi-restraints excluded: chain B residue 4190 ILE Chi-restraints excluded: chain B residue 4195 PHE Chi-restraints excluded: chain B residue 4200 THR Chi-restraints excluded: chain B residue 4209 GLN Chi-restraints excluded: chain B residue 4231 MET Chi-restraints excluded: chain B residue 4237 PHE Chi-restraints excluded: chain B residue 4251 ILE Chi-restraints excluded: chain B residue 4252 SER Chi-restraints excluded: chain B residue 4558 ASN Chi-restraints excluded: chain B residue 4565 LEU Chi-restraints excluded: chain B residue 4573 ILE Chi-restraints excluded: chain B residue 4575 PHE Chi-restraints excluded: chain B residue 4577 LEU Chi-restraints excluded: chain B residue 4630 TYR Chi-restraints excluded: chain B residue 4631 PHE Chi-restraints excluded: chain B residue 4638 TYR Chi-restraints excluded: chain B residue 4649 LEU Chi-restraints excluded: chain B residue 4652 LEU Chi-restraints excluded: chain B residue 4653 VAL Chi-restraints excluded: chain B residue 4656 LEU Chi-restraints excluded: chain B residue 4657 CYS Chi-restraints excluded: chain B residue 4668 LEU Chi-restraints excluded: chain B residue 4671 PHE Chi-restraints excluded: chain B residue 4677 LEU Chi-restraints excluded: chain B residue 4684 ASP Chi-restraints excluded: chain B residue 4688 ILE Chi-restraints excluded: chain B residue 4691 GLN Chi-restraints excluded: chain B residue 4694 ASP Chi-restraints excluded: chain B residue 4701 TRP Chi-restraints excluded: chain B residue 4720 VAL Chi-restraints excluded: chain B residue 4740 LEU Chi-restraints excluded: chain B residue 4743 MET Chi-restraints excluded: chain B residue 4770 SER Chi-restraints excluded: chain B residue 4783 ILE Chi-restraints excluded: chain B residue 4786 ASP Chi-restraints excluded: chain B residue 4788 SER Chi-restraints excluded: chain B residue 4797 VAL Chi-restraints excluded: chain B residue 4800 LEU Chi-restraints excluded: chain B residue 4814 LEU Chi-restraints excluded: chain B residue 4818 MET Chi-restraints excluded: chain B residue 4827 LEU Chi-restraints excluded: chain B residue 4849 TYR Chi-restraints excluded: chain B residue 4853 VAL Chi-restraints excluded: chain B residue 4854 VAL Chi-restraints excluded: chain B residue 4870 ASP Chi-restraints excluded: chain B residue 4877 ASP Chi-restraints excluded: chain B residue 4904 PRO Chi-restraints excluded: chain B residue 4913 ARG Chi-restraints excluded: chain B residue 4915 VAL Chi-restraints excluded: chain B residue 4920 PHE Chi-restraints excluded: chain B residue 4921 PHE Chi-restraints excluded: chain B residue 4936 ILE Chi-restraints excluded: chain B residue 4940 PHE Chi-restraints excluded: chain B residue 4945 ASP Chi-restraints excluded: chain B residue 4946 GLN Chi-restraints excluded: chain B residue 4950 VAL Chi-restraints excluded: chain B residue 4960 ILE Chi-restraints excluded: chain B residue 4961 CYS Chi-restraints excluded: chain B residue 4966 ASP Chi-restraints excluded: chain B residue 4979 THR Chi-restraints excluded: chain B residue 4983 HIS Chi-restraints excluded: chain B residue 4990 PHE Chi-restraints excluded: chain B residue 5010 VAL Chi-restraints excluded: chain B residue 5013 MET Chi-restraints excluded: chain B residue 5020 ASP Chi-restraints excluded: chain C residue 12 GLN Chi-restraints excluded: chain C residue 15 ARG Chi-restraints excluded: chain C residue 17 ASP Chi-restraints excluded: chain C residue 18 ASP Chi-restraints excluded: chain C residue 40 GLU Chi-restraints excluded: chain C residue 52 THR Chi-restraints excluded: chain C residue 67 PHE Chi-restraints excluded: chain C residue 70 GLU Chi-restraints excluded: chain C residue 71 GLN Chi-restraints excluded: chain C residue 72 SER Chi-restraints excluded: chain C residue 76 ARG Chi-restraints excluded: chain C residue 78 LEU Chi-restraints excluded: chain C residue 100 THR Chi-restraints excluded: chain C residue 102 LEU Chi-restraints excluded: chain C residue 109 LEU Chi-restraints excluded: chain C residue 111 HIS Chi-restraints excluded: chain C residue 113 HIS Chi-restraints excluded: chain C residue 121 LEU Chi-restraints excluded: chain C residue 134 ASP Chi-restraints excluded: chain C residue 144 GLU Chi-restraints excluded: chain C residue 163 VAL Chi-restraints excluded: chain C residue 167 ASP Chi-restraints excluded: chain C residue 169 LEU Chi-restraints excluded: chain C residue 172 VAL Chi-restraints excluded: chain C residue 176 SER Chi-restraints excluded: chain C residue 179 TYR Chi-restraints excluded: chain C residue 181 HIS Chi-restraints excluded: chain C residue 210 GLU Chi-restraints excluded: chain C residue 222 LEU Chi-restraints excluded: chain C residue 232 THR Chi-restraints excluded: chain C residue 244 LEU Chi-restraints excluded: chain C residue 270 SER Chi-restraints excluded: chain C residue 282 ILE Chi-restraints excluded: chain C residue 299 LEU Chi-restraints excluded: chain C residue 301 VAL Chi-restraints excluded: chain C residue 313 SER Chi-restraints excluded: chain C residue 315 CYS Chi-restraints excluded: chain C residue 343 GLU Chi-restraints excluded: chain C residue 345 LEU Chi-restraints excluded: chain C residue 355 LEU Chi-restraints excluded: chain C residue 372 LEU Chi-restraints excluded: chain C residue 385 ASP Chi-restraints excluded: chain C residue 390 LEU Chi-restraints excluded: chain C residue 391 THR Chi-restraints excluded: chain C residue 394 GLN Chi-restraints excluded: chain C residue 396 GLU Chi-restraints excluded: chain C residue 397 GLU Chi-restraints excluded: chain C residue 403 MET Chi-restraints excluded: chain C residue 411 TYR Chi-restraints excluded: chain C residue 415 ILE Chi-restraints excluded: chain C residue 438 ILE Chi-restraints excluded: chain C residue 439 GLU Chi-restraints excluded: chain C residue 442 ILE Chi-restraints excluded: chain C residue 447 ASP Chi-restraints excluded: chain C residue 455 PRO Chi-restraints excluded: chain C residue 462 GLU Chi-restraints excluded: chain C residue 471 LEU Chi-restraints excluded: chain C residue 475 GLN Chi-restraints excluded: chain C residue 483 MET Chi-restraints excluded: chain C residue 486 LEU Chi-restraints excluded: chain C residue 491 ILE Chi-restraints excluded: chain C residue 497 TYR Chi-restraints excluded: chain C residue 513 GLU Chi-restraints excluded: chain C residue 514 SER Chi-restraints excluded: chain C residue 515 TRP Chi-restraints excluded: chain C residue 517 GLU Chi-restraints excluded: chain C residue 522 LEU Chi-restraints excluded: chain C residue 533 ASN Chi-restraints excluded: chain C residue 536 ASN Chi-restraints excluded: chain C residue 539 LEU Chi-restraints excluded: chain C residue 541 SER Chi-restraints excluded: chain C residue 547 VAL Chi-restraints excluded: chain C residue 561 LEU Chi-restraints excluded: chain C residue 563 VAL Chi-restraints excluded: chain C residue 564 LEU Chi-restraints excluded: chain C residue 569 ILE Chi-restraints excluded: chain C residue 573 GLU Chi-restraints excluded: chain C residue 574 VAL Chi-restraints excluded: chain C residue 575 LEU Chi-restraints excluded: chain C residue 579 GLN Chi-restraints excluded: chain C residue 586 ILE Chi-restraints excluded: chain C residue 590 LEU Chi-restraints excluded: chain C residue 591 ASP Chi-restraints excluded: chain C residue 599 VAL Chi-restraints excluded: chain C residue 609 CYS Chi-restraints excluded: chain C residue 614 VAL Chi-restraints excluded: chain C residue 635 THR Chi-restraints excluded: chain C residue 638 ILE Chi-restraints excluded: chain C residue 642 THR Chi-restraints excluded: chain C residue 665 GLU Chi-restraints excluded: chain C residue 671 VAL Chi-restraints excluded: chain C residue 695 TYR Chi-restraints excluded: chain C residue 702 TRP Chi-restraints excluded: chain C residue 709 ASP Chi-restraints excluded: chain C residue 760 ASN Chi-restraints excluded: chain C residue 801 LYS Chi-restraints excluded: chain C residue 829 TYR Chi-restraints excluded: chain C residue 867 LEU Chi-restraints excluded: chain C residue 881 LEU Chi-restraints excluded: chain C residue 892 THR Chi-restraints excluded: chain C residue 893 TYR Chi-restraints excluded: chain C residue 900 ASN Chi-restraints excluded: chain C residue 908 VAL Chi-restraints excluded: chain C residue 923 GLN Chi-restraints excluded: chain C residue 924 MET Chi-restraints excluded: chain C residue 972 LEU Chi-restraints excluded: chain C residue 974 HIS Chi-restraints excluded: chain C residue 978 THR Chi-restraints excluded: chain C residue 1036 ARG Chi-restraints excluded: chain C residue 1037 ASP Chi-restraints excluded: chain C residue 1081 TYR Chi-restraints excluded: chain C residue 1101 ARG Chi-restraints excluded: chain C residue 1108 GLU Chi-restraints excluded: chain C residue 1132 TRP Chi-restraints excluded: chain C residue 1133 HIS Chi-restraints excluded: chain C residue 1134 LEU Chi-restraints excluded: chain C residue 1139 PHE Chi-restraints excluded: chain C residue 1143 TRP Chi-restraints excluded: chain C residue 1155 LEU Chi-restraints excluded: chain C residue 1163 THR Chi-restraints excluded: chain C residue 1169 LEU Chi-restraints excluded: chain C residue 1170 MET Chi-restraints excluded: chain C residue 1172 ASP Chi-restraints excluded: chain C residue 1181 GLU Chi-restraints excluded: chain C residue 1184 ILE Chi-restraints excluded: chain C residue 1191 VAL Chi-restraints excluded: chain C residue 1204 LEU Chi-restraints excluded: chain C residue 1240 LYS Chi-restraints excluded: chain C residue 1242 LEU Chi-restraints excluded: chain C residue 1251 GLU Chi-restraints excluded: chain C residue 1254 HIS Chi-restraints excluded: chain C residue 1597 VAL Chi-restraints excluded: chain C residue 1600 LEU Chi-restraints excluded: chain C residue 1605 TRP Chi-restraints excluded: chain C residue 1630 CYS Chi-restraints excluded: chain C residue 1641 ILE Chi-restraints excluded: chain C residue 1657 LEU Chi-restraints excluded: chain C residue 1666 THR Chi-restraints excluded: chain C residue 1673 VAL Chi-restraints excluded: chain C residue 1695 LEU Chi-restraints excluded: chain C residue 1700 ASP Chi-restraints excluded: chain C residue 1707 LEU Chi-restraints excluded: chain C residue 1713 ASP Chi-restraints excluded: chain C residue 1720 LEU Chi-restraints excluded: chain C residue 1731 LEU Chi-restraints excluded: chain C residue 1743 ARG Chi-restraints excluded: chain C residue 1768 THR Chi-restraints excluded: chain C residue 1772 ARG Chi-restraints excluded: chain C residue 1786 LEU Chi-restraints excluded: chain C residue 1798 LEU Chi-restraints excluded: chain C residue 1813 ARG Chi-restraints excluded: chain C residue 1839 VAL Chi-restraints excluded: chain C residue 1842 LEU Chi-restraints excluded: chain C residue 1848 LEU Chi-restraints excluded: chain C residue 1850 VAL Chi-restraints excluded: chain C residue 1857 GLU Chi-restraints excluded: chain C residue 1866 ILE Chi-restraints excluded: chain C residue 1939 MET Chi-restraints excluded: chain C residue 1942 LEU Chi-restraints excluded: chain C residue 1943 LEU Chi-restraints excluded: chain C residue 1944 GLU Chi-restraints excluded: chain C residue 1961 PHE Chi-restraints excluded: chain C residue 1963 GLU Chi-restraints excluded: chain C residue 1966 VAL Chi-restraints excluded: chain C residue 1976 ARG Chi-restraints excluded: chain C residue 1997 GLU Chi-restraints excluded: chain C residue 2009 LEU Chi-restraints excluded: chain C residue 2030 ASP Chi-restraints excluded: chain C residue 2031 LEU Chi-restraints excluded: chain C residue 2095 GLN Chi-restraints excluded: chain C residue 2098 VAL Chi-restraints excluded: chain C residue 2101 MET Chi-restraints excluded: chain C residue 2102 VAL Chi-restraints excluded: chain C residue 2103 VAL Chi-restraints excluded: chain C residue 2115 GLU Chi-restraints excluded: chain C residue 2117 VAL Chi-restraints excluded: chain C residue 2118 ARG Chi-restraints excluded: chain C residue 2138 LEU Chi-restraints excluded: chain C residue 2143 THR Chi-restraints excluded: chain C residue 2150 GLU Chi-restraints excluded: chain C residue 2164 SER Chi-restraints excluded: chain C residue 2166 LEU Chi-restraints excluded: chain C residue 2178 MET Chi-restraints excluded: chain C residue 2180 GLN Chi-restraints excluded: chain C residue 2184 ASN Chi-restraints excluded: chain C residue 2185 ILE Chi-restraints excluded: chain C residue 2186 MET Chi-restraints excluded: chain C residue 2187 ASN Chi-restraints excluded: chain C residue 2204 HIS Chi-restraints excluded: chain C residue 2228 MET Chi-restraints excluded: chain C residue 2229 VAL Chi-restraints excluded: chain C residue 2237 CYS Chi-restraints excluded: chain C residue 2246 ASN Chi-restraints excluded: chain C residue 2250 MET Chi-restraints excluded: chain C residue 2254 LEU Chi-restraints excluded: chain C residue 2256 TYR Chi-restraints excluded: chain C residue 2258 LEU Chi-restraints excluded: chain C residue 2260 ASN Chi-restraints excluded: chain C residue 2267 MET Chi-restraints excluded: chain C residue 2271 THR Chi-restraints excluded: chain C residue 2275 VAL Chi-restraints excluded: chain C residue 2279 SER Chi-restraints excluded: chain C residue 2280 VAL Chi-restraints excluded: chain C residue 2292 GLU Chi-restraints excluded: chain C residue 2298 VAL Chi-restraints excluded: chain C residue 2348 GLU Chi-restraints excluded: chain C residue 2349 ASN Chi-restraints excluded: chain C residue 2356 LEU Chi-restraints excluded: chain C residue 2357 LEU Chi-restraints excluded: chain C residue 2358 ILE Chi-restraints excluded: chain C residue 2376 LEU Chi-restraints excluded: chain C residue 2377 LEU Chi-restraints excluded: chain C residue 2380 ILE Chi-restraints excluded: chain C residue 2432 LEU Chi-restraints excluded: chain C residue 2451 LEU Chi-restraints excluded: chain C residue 2460 LEU Chi-restraints excluded: chain C residue 2463 LEU Chi-restraints excluded: chain C residue 2466 LEU Chi-restraints excluded: chain C residue 2742 THR Chi-restraints excluded: chain C residue 2756 ASN Chi-restraints excluded: chain C residue 2773 ASN Chi-restraints excluded: chain C residue 2811 GLU Chi-restraints excluded: chain C residue 2816 MET Chi-restraints excluded: chain C residue 2855 TYR Chi-restraints excluded: chain C residue 2856 ASN Chi-restraints excluded: chain C residue 2867 LEU Chi-restraints excluded: chain C residue 2885 THR Chi-restraints excluded: chain C residue 2902 HIS Chi-restraints excluded: chain C residue 2906 VAL Chi-restraints excluded: chain C residue 2908 TYR Chi-restraints excluded: chain C residue 2911 LEU Chi-restraints excluded: chain C residue 2912 THR Chi-restraints excluded: chain C residue 2929 PHE Chi-restraints excluded: chain C residue 2935 TYR Chi-restraints excluded: chain C residue 3646 THR Chi-restraints excluded: chain C residue 3653 PHE Chi-restraints excluded: chain C residue 3661 TRP Chi-restraints excluded: chain C residue 3665 GLU Chi-restraints excluded: chain C residue 3676 ASP Chi-restraints excluded: chain C residue 3679 LYS Chi-restraints excluded: chain C residue 3697 PRO Chi-restraints excluded: chain C residue 3702 VAL Chi-restraints excluded: chain C residue 3708 THR Chi-restraints excluded: chain C residue 3714 SER Chi-restraints excluded: chain C residue 3719 ASP Chi-restraints excluded: chain C residue 3720 TYR Chi-restraints excluded: chain C residue 3722 TYR Chi-restraints excluded: chain C residue 3725 TYR Chi-restraints excluded: chain C residue 3727 ASP Chi-restraints excluded: chain C residue 3732 SER Chi-restraints excluded: chain C residue 3751 VAL Chi-restraints excluded: chain C residue 3763 LEU Chi-restraints excluded: chain C residue 3773 ARG Chi-restraints excluded: chain C residue 3787 LYS Chi-restraints excluded: chain C residue 3790 THR Chi-restraints excluded: chain C residue 3802 ILE Chi-restraints excluded: chain C residue 3816 MET Chi-restraints excluded: chain C residue 3838 THR Chi-restraints excluded: chain C residue 3843 ASP Chi-restraints excluded: chain C residue 3882 GLN Chi-restraints excluded: chain C residue 3883 ASP Chi-restraints excluded: chain C residue 3891 LEU Chi-restraints excluded: chain C residue 3895 HIS Chi-restraints excluded: chain C residue 3896 ASN Chi-restraints excluded: chain C residue 3913 ILE Chi-restraints excluded: chain C residue 3916 ILE Chi-restraints excluded: chain C residue 3920 VAL Chi-restraints excluded: chain C residue 3927 GLN Chi-restraints excluded: chain C residue 3929 SER Chi-restraints excluded: chain C residue 3937 TYR Chi-restraints excluded: chain C residue 3957 VAL Chi-restraints excluded: chain C residue 3961 VAL Chi-restraints excluded: chain C residue 3964 SER Chi-restraints excluded: chain C residue 3974 THR Chi-restraints excluded: chain C residue 3982 HIS Chi-restraints excluded: chain C residue 3987 ASP Chi-restraints excluded: chain C residue 3990 VAL Chi-restraints excluded: chain C residue 3993 LEU Chi-restraints excluded: chain C residue 3996 PHE Chi-restraints excluded: chain C residue 4013 LEU Chi-restraints excluded: chain C residue 4020 GLN Chi-restraints excluded: chain C residue 4022 ASP Chi-restraints excluded: chain C residue 4025 VAL Chi-restraints excluded: chain C residue 4029 SER Chi-restraints excluded: chain C residue 4030 LEU Chi-restraints excluded: chain C residue 4034 ASN Chi-restraints excluded: chain C residue 4036 VAL Chi-restraints excluded: chain C residue 4045 VAL Chi-restraints excluded: chain C residue 4046 ASP Chi-restraints excluded: chain C residue 4049 VAL Chi-restraints excluded: chain C residue 4066 LEU Chi-restraints excluded: chain C residue 4090 LYS Chi-restraints excluded: chain C residue 4102 GLN Chi-restraints excluded: chain C residue 4139 ILE Chi-restraints excluded: chain C residue 4143 VAL Chi-restraints excluded: chain C residue 4146 LEU Chi-restraints excluded: chain C residue 4150 LEU Chi-restraints excluded: chain C residue 4159 ARG Chi-restraints excluded: chain C residue 4162 ASN Chi-restraints excluded: chain C residue 4164 LEU Chi-restraints excluded: chain C residue 4166 LEU Chi-restraints excluded: chain C residue 4181 ILE Chi-restraints excluded: chain C residue 4184 MET Chi-restraints excluded: chain C residue 4195 PHE Chi-restraints excluded: chain C residue 4200 THR Chi-restraints excluded: chain C residue 4212 GLU Chi-restraints excluded: chain C residue 4231 MET Chi-restraints excluded: chain C residue 4237 PHE Chi-restraints excluded: chain C residue 4251 ILE Chi-restraints excluded: chain C residue 4252 SER Chi-restraints excluded: chain C residue 4558 ASN Chi-restraints excluded: chain C residue 4565 LEU Chi-restraints excluded: chain C residue 4573 ILE Chi-restraints excluded: chain C residue 4575 PHE Chi-restraints excluded: chain C residue 4577 LEU Chi-restraints excluded: chain C residue 4630 TYR Chi-restraints excluded: chain C residue 4631 PHE Chi-restraints excluded: chain C residue 4638 TYR Chi-restraints excluded: chain C residue 4649 LEU Chi-restraints excluded: chain C residue 4652 LEU Chi-restraints excluded: chain C residue 4653 VAL Chi-restraints excluded: chain C residue 4656 LEU Chi-restraints excluded: chain C residue 4657 CYS Chi-restraints excluded: chain C residue 4668 LEU Chi-restraints excluded: chain C residue 4671 PHE Chi-restraints excluded: chain C residue 4677 LEU Chi-restraints excluded: chain C residue 4684 ASP Chi-restraints excluded: chain C residue 4688 ILE Chi-restraints excluded: chain C residue 4691 GLN Chi-restraints excluded: chain C residue 4694 ASP Chi-restraints excluded: chain C residue 4701 TRP Chi-restraints excluded: chain C residue 4720 VAL Chi-restraints excluded: chain C residue 4740 LEU Chi-restraints excluded: chain C residue 4743 MET Chi-restraints excluded: chain C residue 4770 SER Chi-restraints excluded: chain C residue 4777 ILE Chi-restraints excluded: chain C residue 4783 ILE Chi-restraints excluded: chain C residue 4786 ASP Chi-restraints excluded: chain C residue 4788 SER Chi-restraints excluded: chain C residue 4797 VAL Chi-restraints excluded: chain C residue 4800 LEU Chi-restraints excluded: chain C residue 4814 LEU Chi-restraints excluded: chain C residue 4818 MET Chi-restraints excluded: chain C residue 4827 LEU Chi-restraints excluded: chain C residue 4849 TYR Chi-restraints excluded: chain C residue 4853 VAL Chi-restraints excluded: chain C residue 4854 VAL Chi-restraints excluded: chain C residue 4870 ASP Chi-restraints excluded: chain C residue 4877 ASP Chi-restraints excluded: chain C residue 4913 ARG Chi-restraints excluded: chain C residue 4915 VAL Chi-restraints excluded: chain C residue 4920 PHE Chi-restraints excluded: chain C residue 4921 PHE Chi-restraints excluded: chain C residue 4936 ILE Chi-restraints excluded: chain C residue 4940 PHE Chi-restraints excluded: chain C residue 4945 ASP Chi-restraints excluded: chain C residue 4950 VAL Chi-restraints excluded: chain C residue 4960 ILE Chi-restraints excluded: chain C residue 4966 ASP Chi-restraints excluded: chain C residue 4983 HIS Chi-restraints excluded: chain C residue 4990 PHE Chi-restraints excluded: chain C residue 5010 VAL Chi-restraints excluded: chain C residue 5013 MET Chi-restraints excluded: chain C residue 5020 ASP Chi-restraints excluded: chain C residue 5027 CYS Chi-restraints excluded: chain D residue 12 GLN Chi-restraints excluded: chain D residue 15 ARG Chi-restraints excluded: chain D residue 17 ASP Chi-restraints excluded: chain D residue 18 ASP Chi-restraints excluded: chain D residue 40 GLU Chi-restraints excluded: chain D residue 52 THR Chi-restraints excluded: chain D residue 58 VAL Chi-restraints excluded: chain D residue 67 PHE Chi-restraints excluded: chain D residue 70 GLU Chi-restraints excluded: chain D residue 71 GLN Chi-restraints excluded: chain D residue 72 SER Chi-restraints excluded: chain D residue 76 ARG Chi-restraints excluded: chain D residue 78 LEU Chi-restraints excluded: chain D residue 100 THR Chi-restraints excluded: chain D residue 102 LEU Chi-restraints excluded: chain D residue 109 LEU Chi-restraints excluded: chain D residue 111 HIS Chi-restraints excluded: chain D residue 113 HIS Chi-restraints excluded: chain D residue 121 LEU Chi-restraints excluded: chain D residue 134 ASP Chi-restraints excluded: chain D residue 144 GLU Chi-restraints excluded: chain D residue 163 VAL Chi-restraints excluded: chain D residue 167 ASP Chi-restraints excluded: chain D residue 169 LEU Chi-restraints excluded: chain D residue 172 VAL Chi-restraints excluded: chain D residue 176 SER Chi-restraints excluded: chain D residue 179 TYR Chi-restraints excluded: chain D residue 181 HIS Chi-restraints excluded: chain D residue 210 GLU Chi-restraints excluded: chain D residue 222 LEU Chi-restraints excluded: chain D residue 232 THR Chi-restraints excluded: chain D residue 244 LEU Chi-restraints excluded: chain D residue 270 SER Chi-restraints excluded: chain D residue 282 ILE Chi-restraints excluded: chain D residue 299 LEU Chi-restraints excluded: chain D residue 301 VAL Chi-restraints excluded: chain D residue 313 SER Chi-restraints excluded: chain D residue 315 CYS Chi-restraints excluded: chain D residue 343 GLU Chi-restraints excluded: chain D residue 345 LEU Chi-restraints excluded: chain D residue 355 LEU Chi-restraints excluded: chain D residue 372 LEU Chi-restraints excluded: chain D residue 385 ASP Chi-restraints excluded: chain D residue 390 LEU Chi-restraints excluded: chain D residue 391 THR Chi-restraints excluded: chain D residue 394 GLN Chi-restraints excluded: chain D residue 396 GLU Chi-restraints excluded: chain D residue 397 GLU Chi-restraints excluded: chain D residue 403 MET Chi-restraints excluded: chain D residue 411 TYR Chi-restraints excluded: chain D residue 415 ILE Chi-restraints excluded: chain D residue 438 ILE Chi-restraints excluded: chain D residue 439 GLU Chi-restraints excluded: chain D residue 442 ILE Chi-restraints excluded: chain D residue 447 ASP Chi-restraints excluded: chain D residue 455 PRO Chi-restraints excluded: chain D residue 462 GLU Chi-restraints excluded: chain D residue 463 GLU Chi-restraints excluded: chain D residue 471 LEU Chi-restraints excluded: chain D residue 475 GLN Chi-restraints excluded: chain D residue 483 MET Chi-restraints excluded: chain D residue 486 LEU Chi-restraints excluded: chain D residue 491 ILE Chi-restraints excluded: chain D residue 497 TYR Chi-restraints excluded: chain D residue 513 GLU Chi-restraints excluded: chain D residue 514 SER Chi-restraints excluded: chain D residue 515 TRP Chi-restraints excluded: chain D residue 517 GLU Chi-restraints excluded: chain D residue 522 LEU Chi-restraints excluded: chain D residue 533 ASN Chi-restraints excluded: chain D residue 536 ASN Chi-restraints excluded: chain D residue 539 LEU Chi-restraints excluded: chain D residue 541 SER Chi-restraints excluded: chain D residue 547 VAL Chi-restraints excluded: chain D residue 561 LEU Chi-restraints excluded: chain D residue 563 VAL Chi-restraints excluded: chain D residue 564 LEU Chi-restraints excluded: chain D residue 569 ILE Chi-restraints excluded: chain D residue 573 GLU Chi-restraints excluded: chain D residue 574 VAL Chi-restraints excluded: chain D residue 575 LEU Chi-restraints excluded: chain D residue 579 GLN Chi-restraints excluded: chain D residue 586 ILE Chi-restraints excluded: chain D residue 590 LEU Chi-restraints excluded: chain D residue 591 ASP Chi-restraints excluded: chain D residue 599 VAL Chi-restraints excluded: chain D residue 609 CYS Chi-restraints excluded: chain D residue 614 VAL Chi-restraints excluded: chain D residue 635 THR Chi-restraints excluded: chain D residue 638 ILE Chi-restraints excluded: chain D residue 642 THR Chi-restraints excluded: chain D residue 665 GLU Chi-restraints excluded: chain D residue 671 VAL Chi-restraints excluded: chain D residue 695 TYR Chi-restraints excluded: chain D residue 702 TRP Chi-restraints excluded: chain D residue 709 ASP Chi-restraints excluded: chain D residue 760 ASN Chi-restraints excluded: chain D residue 801 LYS Chi-restraints excluded: chain D residue 829 TYR Chi-restraints excluded: chain D residue 867 LEU Chi-restraints excluded: chain D residue 881 LEU Chi-restraints excluded: chain D residue 892 THR Chi-restraints excluded: chain D residue 893 TYR Chi-restraints excluded: chain D residue 900 ASN Chi-restraints excluded: chain D residue 908 VAL Chi-restraints excluded: chain D residue 923 GLN Chi-restraints excluded: chain D residue 924 MET Chi-restraints excluded: chain D residue 972 LEU Chi-restraints excluded: chain D residue 974 HIS Chi-restraints excluded: chain D residue 978 THR Chi-restraints excluded: chain D residue 1036 ARG Chi-restraints excluded: chain D residue 1037 ASP Chi-restraints excluded: chain D residue 1081 TYR Chi-restraints excluded: chain D residue 1101 ARG Chi-restraints excluded: chain D residue 1108 GLU Chi-restraints excluded: chain D residue 1132 TRP Chi-restraints excluded: chain D residue 1133 HIS Chi-restraints excluded: chain D residue 1134 LEU Chi-restraints excluded: chain D residue 1139 PHE Chi-restraints excluded: chain D residue 1143 TRP Chi-restraints excluded: chain D residue 1155 LEU Chi-restraints excluded: chain D residue 1163 THR Chi-restraints excluded: chain D residue 1169 LEU Chi-restraints excluded: chain D residue 1170 MET Chi-restraints excluded: chain D residue 1172 ASP Chi-restraints excluded: chain D residue 1181 GLU Chi-restraints excluded: chain D residue 1184 ILE Chi-restraints excluded: chain D residue 1191 VAL Chi-restraints excluded: chain D residue 1204 LEU Chi-restraints excluded: chain D residue 1240 LYS Chi-restraints excluded: chain D residue 1242 LEU Chi-restraints excluded: chain D residue 1251 GLU Chi-restraints excluded: chain D residue 1254 HIS Chi-restraints excluded: chain D residue 1597 VAL Chi-restraints excluded: chain D residue 1600 LEU Chi-restraints excluded: chain D residue 1605 TRP Chi-restraints excluded: chain D residue 1630 CYS Chi-restraints excluded: chain D residue 1641 ILE Chi-restraints excluded: chain D residue 1657 LEU Chi-restraints excluded: chain D residue 1666 THR Chi-restraints excluded: chain D residue 1673 VAL Chi-restraints excluded: chain D residue 1695 LEU Chi-restraints excluded: chain D residue 1700 ASP Chi-restraints excluded: chain D residue 1707 LEU Chi-restraints excluded: chain D residue 1713 ASP Chi-restraints excluded: chain D residue 1720 LEU Chi-restraints excluded: chain D residue 1731 LEU Chi-restraints excluded: chain D residue 1743 ARG Chi-restraints excluded: chain D residue 1768 THR Chi-restraints excluded: chain D residue 1772 ARG Chi-restraints excluded: chain D residue 1786 LEU Chi-restraints excluded: chain D residue 1798 LEU Chi-restraints excluded: chain D residue 1813 ARG Chi-restraints excluded: chain D residue 1839 VAL Chi-restraints excluded: chain D residue 1842 LEU Chi-restraints excluded: chain D residue 1848 LEU Chi-restraints excluded: chain D residue 1850 VAL Chi-restraints excluded: chain D residue 1857 GLU Chi-restraints excluded: chain D residue 1866 ILE Chi-restraints excluded: chain D residue 1937 LEU Chi-restraints excluded: chain D residue 1939 MET Chi-restraints excluded: chain D residue 1942 LEU Chi-restraints excluded: chain D residue 1943 LEU Chi-restraints excluded: chain D residue 1944 GLU Chi-restraints excluded: chain D residue 1961 PHE Chi-restraints excluded: chain D residue 1963 GLU Chi-restraints excluded: chain D residue 1966 VAL Chi-restraints excluded: chain D residue 1976 ARG Chi-restraints excluded: chain D residue 1997 GLU Chi-restraints excluded: chain D residue 2009 LEU Chi-restraints excluded: chain D residue 2030 ASP Chi-restraints excluded: chain D residue 2031 LEU Chi-restraints excluded: chain D residue 2095 GLN Chi-restraints excluded: chain D residue 2098 VAL Chi-restraints excluded: chain D residue 2101 MET Chi-restraints excluded: chain D residue 2103 VAL Chi-restraints excluded: chain D residue 2115 GLU Chi-restraints excluded: chain D residue 2117 VAL Chi-restraints excluded: chain D residue 2118 ARG Chi-restraints excluded: chain D residue 2120 MET Chi-restraints excluded: chain D residue 2138 LEU Chi-restraints excluded: chain D residue 2143 THR Chi-restraints excluded: chain D residue 2150 GLU Chi-restraints excluded: chain D residue 2164 SER Chi-restraints excluded: chain D residue 2166 LEU Chi-restraints excluded: chain D residue 2178 MET Chi-restraints excluded: chain D residue 2180 GLN Chi-restraints excluded: chain D residue 2184 ASN Chi-restraints excluded: chain D residue 2185 ILE Chi-restraints excluded: chain D residue 2186 MET Chi-restraints excluded: chain D residue 2187 ASN Chi-restraints excluded: chain D residue 2204 HIS Chi-restraints excluded: chain D residue 2228 MET Chi-restraints excluded: chain D residue 2229 VAL Chi-restraints excluded: chain D residue 2237 CYS Chi-restraints excluded: chain D residue 2246 ASN Chi-restraints excluded: chain D residue 2250 MET Chi-restraints excluded: chain D residue 2254 LEU Chi-restraints excluded: chain D residue 2256 TYR Chi-restraints excluded: chain D residue 2258 LEU Chi-restraints excluded: chain D residue 2260 ASN Chi-restraints excluded: chain D residue 2267 MET Chi-restraints excluded: chain D residue 2271 THR Chi-restraints excluded: chain D residue 2275 VAL Chi-restraints excluded: chain D residue 2279 SER Chi-restraints excluded: chain D residue 2280 VAL Chi-restraints excluded: chain D residue 2292 GLU Chi-restraints excluded: chain D residue 2298 VAL Chi-restraints excluded: chain D residue 2341 VAL Chi-restraints excluded: chain D residue 2348 GLU Chi-restraints excluded: chain D residue 2349 ASN Chi-restraints excluded: chain D residue 2356 LEU Chi-restraints excluded: chain D residue 2357 LEU Chi-restraints excluded: chain D residue 2358 ILE Chi-restraints excluded: chain D residue 2376 LEU Chi-restraints excluded: chain D residue 2377 LEU Chi-restraints excluded: chain D residue 2380 ILE Chi-restraints excluded: chain D residue 2432 LEU Chi-restraints excluded: chain D residue 2451 LEU Chi-restraints excluded: chain D residue 2460 LEU Chi-restraints excluded: chain D residue 2463 LEU Chi-restraints excluded: chain D residue 2466 LEU Chi-restraints excluded: chain D residue 2741 GLU Chi-restraints excluded: chain D residue 2742 THR Chi-restraints excluded: chain D residue 2756 ASN Chi-restraints excluded: chain D residue 2773 ASN Chi-restraints excluded: chain D residue 2811 GLU Chi-restraints excluded: chain D residue 2816 MET Chi-restraints excluded: chain D residue 2855 TYR Chi-restraints excluded: chain D residue 2856 ASN Chi-restraints excluded: chain D residue 2867 LEU Chi-restraints excluded: chain D residue 2885 THR Chi-restraints excluded: chain D residue 2902 HIS Chi-restraints excluded: chain D residue 2906 VAL Chi-restraints excluded: chain D residue 2908 TYR Chi-restraints excluded: chain D residue 2911 LEU Chi-restraints excluded: chain D residue 2912 THR Chi-restraints excluded: chain D residue 2929 PHE Chi-restraints excluded: chain D residue 2935 TYR Chi-restraints excluded: chain D residue 3646 THR Chi-restraints excluded: chain D residue 3651 ASN Chi-restraints excluded: chain D residue 3653 PHE Chi-restraints excluded: chain D residue 3661 TRP Chi-restraints excluded: chain D residue 3665 GLU Chi-restraints excluded: chain D residue 3676 ASP Chi-restraints excluded: chain D residue 3679 LYS Chi-restraints excluded: chain D residue 3697 PRO Chi-restraints excluded: chain D residue 3702 VAL Chi-restraints excluded: chain D residue 3708 THR Chi-restraints excluded: chain D residue 3714 SER Chi-restraints excluded: chain D residue 3719 ASP Chi-restraints excluded: chain D residue 3720 TYR Chi-restraints excluded: chain D residue 3722 TYR Chi-restraints excluded: chain D residue 3725 TYR Chi-restraints excluded: chain D residue 3727 ASP Chi-restraints excluded: chain D residue 3732 SER Chi-restraints excluded: chain D residue 3751 VAL Chi-restraints excluded: chain D residue 3763 LEU Chi-restraints excluded: chain D residue 3773 ARG Chi-restraints excluded: chain D residue 3787 LYS Chi-restraints excluded: chain D residue 3790 THR Chi-restraints excluded: chain D residue 3802 ILE Chi-restraints excluded: chain D residue 3816 MET Chi-restraints excluded: chain D residue 3838 THR Chi-restraints excluded: chain D residue 3843 ASP Chi-restraints excluded: chain D residue 3882 GLN Chi-restraints excluded: chain D residue 3883 ASP Chi-restraints excluded: chain D residue 3891 LEU Chi-restraints excluded: chain D residue 3895 HIS Chi-restraints excluded: chain D residue 3896 ASN Chi-restraints excluded: chain D residue 3913 ILE Chi-restraints excluded: chain D residue 3916 ILE Chi-restraints excluded: chain D residue 3920 VAL Chi-restraints excluded: chain D residue 3923 LEU Chi-restraints excluded: chain D residue 3929 SER Chi-restraints excluded: chain D residue 3937 TYR Chi-restraints excluded: chain D residue 3957 VAL Chi-restraints excluded: chain D residue 3961 VAL Chi-restraints excluded: chain D residue 3964 SER Chi-restraints excluded: chain D residue 3974 THR Chi-restraints excluded: chain D residue 3982 HIS Chi-restraints excluded: chain D residue 3987 ASP Chi-restraints excluded: chain D residue 3990 VAL Chi-restraints excluded: chain D residue 3993 LEU Chi-restraints excluded: chain D residue 3996 PHE Chi-restraints excluded: chain D residue 4013 LEU Chi-restraints excluded: chain D residue 4020 GLN Chi-restraints excluded: chain D residue 4022 ASP Chi-restraints excluded: chain D residue 4025 VAL Chi-restraints excluded: chain D residue 4030 LEU Chi-restraints excluded: chain D residue 4034 ASN Chi-restraints excluded: chain D residue 4036 VAL Chi-restraints excluded: chain D residue 4045 VAL Chi-restraints excluded: chain D residue 4046 ASP Chi-restraints excluded: chain D residue 4049 VAL Chi-restraints excluded: chain D residue 4066 LEU Chi-restraints excluded: chain D residue 4090 LYS Chi-restraints excluded: chain D residue 4102 GLN Chi-restraints excluded: chain D residue 4133 GLN Chi-restraints excluded: chain D residue 4139 ILE Chi-restraints excluded: chain D residue 4143 VAL Chi-restraints excluded: chain D residue 4146 LEU Chi-restraints excluded: chain D residue 4150 LEU Chi-restraints excluded: chain D residue 4159 ARG Chi-restraints excluded: chain D residue 4162 ASN Chi-restraints excluded: chain D residue 4164 LEU Chi-restraints excluded: chain D residue 4166 LEU Chi-restraints excluded: chain D residue 4181 ILE Chi-restraints excluded: chain D residue 4184 MET Chi-restraints excluded: chain D residue 4195 PHE Chi-restraints excluded: chain D residue 4200 THR Chi-restraints excluded: chain D residue 4212 GLU Chi-restraints excluded: chain D residue 4231 MET Chi-restraints excluded: chain D residue 4237 PHE Chi-restraints excluded: chain D residue 4251 ILE Chi-restraints excluded: chain D residue 4252 SER Chi-restraints excluded: chain D residue 4558 ASN Chi-restraints excluded: chain D residue 4565 LEU Chi-restraints excluded: chain D residue 4573 ILE Chi-restraints excluded: chain D residue 4575 PHE Chi-restraints excluded: chain D residue 4630 TYR Chi-restraints excluded: chain D residue 4631 PHE Chi-restraints excluded: chain D residue 4638 TYR Chi-restraints excluded: chain D residue 4649 LEU Chi-restraints excluded: chain D residue 4652 LEU Chi-restraints excluded: chain D residue 4653 VAL Chi-restraints excluded: chain D residue 4656 LEU Chi-restraints excluded: chain D residue 4657 CYS Chi-restraints excluded: chain D residue 4668 LEU Chi-restraints excluded: chain D residue 4671 PHE Chi-restraints excluded: chain D residue 4677 LEU Chi-restraints excluded: chain D residue 4684 ASP Chi-restraints excluded: chain D residue 4688 ILE Chi-restraints excluded: chain D residue 4691 GLN Chi-restraints excluded: chain D residue 4694 ASP Chi-restraints excluded: chain D residue 4701 TRP Chi-restraints excluded: chain D residue 4720 VAL Chi-restraints excluded: chain D residue 4740 LEU Chi-restraints excluded: chain D residue 4743 MET Chi-restraints excluded: chain D residue 4770 SER Chi-restraints excluded: chain D residue 4777 ILE Chi-restraints excluded: chain D residue 4783 ILE Chi-restraints excluded: chain D residue 4786 ASP Chi-restraints excluded: chain D residue 4788 SER Chi-restraints excluded: chain D residue 4797 VAL Chi-restraints excluded: chain D residue 4800 LEU Chi-restraints excluded: chain D residue 4814 LEU Chi-restraints excluded: chain D residue 4818 MET Chi-restraints excluded: chain D residue 4849 TYR Chi-restraints excluded: chain D residue 4853 VAL Chi-restraints excluded: chain D residue 4854 VAL Chi-restraints excluded: chain D residue 4870 ASP Chi-restraints excluded: chain D residue 4877 ASP Chi-restraints excluded: chain D residue 4913 ARG Chi-restraints excluded: chain D residue 4915 VAL Chi-restraints excluded: chain D residue 4920 PHE Chi-restraints excluded: chain D residue 4921 PHE Chi-restraints excluded: chain D residue 4936 ILE Chi-restraints excluded: chain D residue 4940 PHE Chi-restraints excluded: chain D residue 4945 ASP Chi-restraints excluded: chain D residue 4946 GLN Chi-restraints excluded: chain D residue 4950 VAL Chi-restraints excluded: chain D residue 4954 MET Chi-restraints excluded: chain D residue 4960 ILE Chi-restraints excluded: chain D residue 4966 ASP Chi-restraints excluded: chain D residue 4983 HIS Chi-restraints excluded: chain D residue 4984 ASN Chi-restraints excluded: chain D residue 4990 PHE Chi-restraints excluded: chain D residue 5010 VAL Chi-restraints excluded: chain D residue 5013 MET Chi-restraints excluded: chain D residue 5020 ASP Chi-restraints excluded: chain D residue 5027 CYS Rotamers are restrained with sigma=4.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 0 random chunks: chunk None optimal weight: 10.0000 overall best weight: 50.0000 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** A 57 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 105 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 255 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 273 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 308 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 460 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 461 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 479 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 610 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 639 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 678 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 735 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 772 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 904 HIS ** A 949 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1130 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1158 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1165 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A1231 GLN ** A1760 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1837 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A2036 GLN ** A2161 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2184 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2253 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2324 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2858 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2877 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2931 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3643 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4078 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4094 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4204 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4223 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4650 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4700 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A4886 HIS ** A4973 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A4997 ASN ** B 23 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 57 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 105 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 255 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 273 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 308 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 460 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 479 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 610 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 639 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 678 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 735 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 736 HIS ** B 772 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B 904 HIS ** B 949 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1130 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1158 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1165 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1640 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1760 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1837 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2161 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2184 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2253 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2324 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2858 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2877 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2931 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3643 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3809 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3927 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4078 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4094 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4204 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4223 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4650 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4700 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B4886 HIS ** B4973 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4987 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 57 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 105 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 255 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 273 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 308 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 460 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 461 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 479 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 610 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 735 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 736 HIS ** C 772 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 904 HIS ** C 949 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1130 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1158 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1165 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1640 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1760 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1837 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C2036 GLN ** C2161 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2184 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2253 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C2858 GLN ** C2877 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2931 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3643 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4078 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4094 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4204 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4223 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4650 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4700 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C4886 HIS ** C4973 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4987 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C4997 ASN ** D 57 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 105 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 255 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 273 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 308 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 460 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 479 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 610 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 735 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 772 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D 904 HIS ** D 949 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1130 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1158 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1165 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D1231 GLN ** D1760 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1837 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D2036 GLN ** D2161 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2184 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2253 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2324 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D2858 GLN ** D2877 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2931 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3643 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3927 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4078 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4094 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4204 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4223 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4650 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4700 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D4886 HIS ** D4973 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 19 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8257 moved from start: 1.4090 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.029 0.260 119724 Z= 1.903 Angle : 2.579 33.172 163324 Z= 1.316 Chirality : 0.100 0.767 19116 Planarity : 0.018 0.222 21488 Dihedral : 13.665 142.274 17724 Min Nonbonded Distance : 1.747 Molprobity Statistics. All-atom Clashscore : 144.10 Ramachandran Plot: Outliers : 1.86 % Allowed : 36.27 % Favored : 61.87 % Rotamer: Outliers : 26.24 % Allowed : 27.17 % Favored : 46.59 % Cbeta Deviations : 0.26 % Peptide Plane: Cis-proline : 0.64 % Cis-general : 0.00 % Twisted Proline : 6.37 % Twisted General : 3.54 % 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: -6.95 (0.05), residues: 12924 helix: -4.59 (0.04), residues: 5168 sheet: -3.81 (0.16), residues: 732 loop : -4.92 (0.05), residues: 7024 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.085 0.008 TRP C1132 HIS 0.035 0.008 HIS B 582 PHE 0.084 0.009 PHE D2121 TYR 0.084 0.009 TYR B4849 ARG 0.049 0.003 ARG D1661 *********************** REFINEMENT MACRO_CYCLE 4 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 25848 Ramachandran restraints generated. 12924 Oldfield, 0 Emsley, 12924 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 25848 Ramachandran restraints generated. 12924 Oldfield, 0 Emsley, 12924 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3108 residues out of total 11344 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2616 poor density : 492 time to evaluate : 10.370 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 12 GLN cc_start: 0.8061 (OUTLIER) cc_final: 0.7607 (mm110) REVERT: A 67 PHE cc_start: 0.9159 (OUTLIER) cc_final: 0.8537 (m-80) REVERT: A 71 GLN cc_start: 0.8795 (OUTLIER) cc_final: 0.8451 (pm20) REVERT: A 102 LEU cc_start: 0.8751 (OUTLIER) cc_final: 0.8506 (mp) REVERT: A 152 PRO cc_start: 0.9402 (OUTLIER) cc_final: 0.9120 (Cg_exo) REVERT: A 263 GLU cc_start: 0.8916 (OUTLIER) cc_final: 0.8581 (pm20) REVERT: A 394 GLN cc_start: 0.6829 (OUTLIER) cc_final: 0.6446 (mp10) REVERT: A 396 GLU cc_start: 0.9335 (OUTLIER) cc_final: 0.8801 (pp20) REVERT: A 475 GLN cc_start: 0.9233 (OUTLIER) cc_final: 0.8720 (pm20) REVERT: A 497 TYR cc_start: 0.9087 (OUTLIER) cc_final: 0.8304 (m-80) REVERT: A 510 GLU cc_start: 0.9368 (OUTLIER) cc_final: 0.8836 (pm20) REVERT: A 573 GLU cc_start: 0.9367 (OUTLIER) cc_final: 0.8758 (pp20) REVERT: A 960 MET cc_start: 0.7666 (mpp) cc_final: 0.6401 (tpp) REVERT: A 961 MET cc_start: 0.5637 (OUTLIER) cc_final: 0.3842 (ptp) REVERT: A 1076 ARG cc_start: 0.9170 (OUTLIER) cc_final: 0.8769 (ptt-90) REVERT: A 1087 ARG cc_start: 0.9195 (OUTLIER) cc_final: 0.8639 (mtt90) REVERT: A 1100 MET cc_start: 0.7565 (pmm) cc_final: 0.6978 (pmm) REVERT: A 1254 HIS cc_start: 0.8810 (OUTLIER) cc_final: 0.8387 (m-70) REVERT: A 1260 MET cc_start: 0.8354 (ppp) cc_final: 0.7823 (ppp) REVERT: A 1605 TRP cc_start: 0.8930 (OUTLIER) cc_final: 0.8549 (m-10) REVERT: A 1652 GLU cc_start: 0.9028 (OUTLIER) cc_final: 0.8471 (pp20) REVERT: A 1772 ARG cc_start: 0.8743 (OUTLIER) cc_final: 0.7903 (mmt180) REVERT: A 1786 LEU cc_start: 0.5581 (OUTLIER) cc_final: 0.5126 (mp) REVERT: A 1810 LYS cc_start: 0.9487 (OUTLIER) cc_final: 0.9115 (tptm) REVERT: A 1813 ARG cc_start: 0.9032 (OUTLIER) cc_final: 0.8481 (ptm-80) REVERT: A 1861 GLN cc_start: 0.8973 (OUTLIER) cc_final: 0.8736 (tm-30) REVERT: A 1928 GLN cc_start: 0.9437 (OUTLIER) cc_final: 0.9086 (mt0) REVERT: A 1937 LEU cc_start: 0.9133 (OUTLIER) cc_final: 0.8828 (pp) REVERT: A 1997 GLU cc_start: 0.7287 (OUTLIER) cc_final: 0.6728 (mp0) REVERT: A 2186 MET cc_start: 0.9323 (OUTLIER) cc_final: 0.9073 (mmm) REVERT: A 2193 GLN cc_start: 0.8561 (OUTLIER) cc_final: 0.8137 (mm110) REVERT: A 2228 MET cc_start: 0.9079 (OUTLIER) cc_final: 0.8714 (mmm) REVERT: A 2472 LEU cc_start: 0.8692 (OUTLIER) cc_final: 0.8306 (mt) REVERT: A 2792 ARG cc_start: 0.4451 (OUTLIER) cc_final: 0.3986 (tmm-80) REVERT: A 2811 GLU cc_start: 0.8605 (OUTLIER) cc_final: 0.8195 (pm20) REVERT: A 2935 TYR cc_start: 0.6289 (OUTLIER) cc_final: 0.5382 (m-80) REVERT: A 3697 PRO cc_start: 0.9378 (OUTLIER) cc_final: 0.9120 (Cg_endo) REVERT: A 3725 TYR cc_start: 0.9547 (OUTLIER) cc_final: 0.8984 (t80) REVERT: A 3753 PHE cc_start: 0.8465 (OUTLIER) cc_final: 0.8175 (t80) REVERT: A 3778 MET cc_start: 0.9547 (ppp) cc_final: 0.9311 (ppp) REVERT: A 3890 LEU cc_start: 0.9307 (OUTLIER) cc_final: 0.9077 (tp) REVERT: A 3937 TYR cc_start: 0.8460 (OUTLIER) cc_final: 0.7939 (m-10) REVERT: A 4026 MET cc_start: 0.9502 (tmm) cc_final: 0.9282 (tmm) REVERT: A 4068 LEU cc_start: 0.9052 (OUTLIER) cc_final: 0.8843 (pp) REVERT: A 4133 GLN cc_start: 0.8883 (OUTLIER) cc_final: 0.8583 (tp40) REVERT: A 4175 ARG cc_start: 0.9445 (OUTLIER) cc_final: 0.9018 (tpm170) REVERT: A 4212 GLU cc_start: 0.9367 (OUTLIER) cc_final: 0.9053 (pp20) REVERT: A 4640 GLU cc_start: 0.8036 (OUTLIER) cc_final: 0.7316 (tp30) REVERT: A 4643 LEU cc_start: 0.8598 (OUTLIER) cc_final: 0.8213 (tp) REVERT: A 4701 TRP cc_start: 0.8231 (OUTLIER) cc_final: 0.7409 (t-100) REVERT: A 4780 PHE cc_start: 0.9240 (OUTLIER) cc_final: 0.8855 (m-80) REVERT: A 4849 TYR cc_start: 0.8924 (OUTLIER) cc_final: 0.8353 (t80) REVERT: A 4886 HIS cc_start: 0.9194 (OUTLIER) cc_final: 0.8653 (m90) REVERT: A 4913 ARG cc_start: 0.8148 (OUTLIER) cc_final: 0.7795 (ttm170) REVERT: B 12 GLN cc_start: 0.7894 (OUTLIER) cc_final: 0.7498 (mm110) REVERT: B 67 PHE cc_start: 0.9150 (OUTLIER) cc_final: 0.8524 (m-80) REVERT: B 102 LEU cc_start: 0.8719 (OUTLIER) cc_final: 0.8482 (mp) REVERT: B 152 PRO cc_start: 0.9401 (OUTLIER) cc_final: 0.9112 (Cg_exo) REVERT: B 263 GLU cc_start: 0.8907 (OUTLIER) cc_final: 0.8537 (pm20) REVERT: B 475 GLN cc_start: 0.9233 (OUTLIER) cc_final: 0.8720 (pm20) REVERT: B 497 TYR cc_start: 0.9080 (OUTLIER) cc_final: 0.8312 (m-80) REVERT: B 510 GLU cc_start: 0.9365 (OUTLIER) cc_final: 0.8831 (pm20) REVERT: B 573 GLU cc_start: 0.9367 (OUTLIER) cc_final: 0.8758 (pp20) REVERT: B 960 MET cc_start: 0.7661 (mpp) cc_final: 0.6388 (tpp) REVERT: B 961 MET cc_start: 0.5703 (OUTLIER) cc_final: 0.3904 (ptp) REVERT: B 1087 ARG cc_start: 0.9193 (OUTLIER) cc_final: 0.8639 (mtt90) REVERT: B 1100 MET cc_start: 0.7567 (pmm) cc_final: 0.6978 (pmm) REVERT: B 1254 HIS cc_start: 0.8794 (OUTLIER) cc_final: 0.8364 (m-70) REVERT: B 1260 MET cc_start: 0.8353 (ppp) cc_final: 0.7823 (ppp) REVERT: B 1605 TRP cc_start: 0.8925 (OUTLIER) cc_final: 0.8585 (m-10) REVERT: B 1652 GLU cc_start: 0.9026 (OUTLIER) cc_final: 0.8467 (pp20) REVERT: B 1772 ARG cc_start: 0.8749 (OUTLIER) cc_final: 0.7906 (mmt180) REVERT: B 1786 LEU cc_start: 0.5534 (OUTLIER) cc_final: 0.5035 (mp) REVERT: B 1810 LYS cc_start: 0.9471 (OUTLIER) cc_final: 0.9085 (tptm) REVERT: B 1813 ARG cc_start: 0.9034 (OUTLIER) cc_final: 0.8485 (ptm-80) REVERT: B 1861 GLN cc_start: 0.8950 (OUTLIER) cc_final: 0.8746 (tm-30) REVERT: B 1928 GLN cc_start: 0.9444 (OUTLIER) cc_final: 0.9089 (mt0) REVERT: B 1937 LEU cc_start: 0.9151 (OUTLIER) cc_final: 0.8873 (pp) REVERT: B 1997 GLU cc_start: 0.7320 (OUTLIER) cc_final: 0.6756 (mp0) REVERT: B 2186 MET cc_start: 0.9337 (OUTLIER) cc_final: 0.9091 (mmm) REVERT: B 2193 GLN cc_start: 0.8602 (OUTLIER) cc_final: 0.8089 (mm110) REVERT: B 2228 MET cc_start: 0.9085 (OUTLIER) cc_final: 0.8756 (mmm) REVERT: B 2472 LEU cc_start: 0.8656 (OUTLIER) cc_final: 0.8258 (mt) REVERT: B 2792 ARG cc_start: 0.4013 (OUTLIER) cc_final: 0.3407 (tmm-80) REVERT: B 2811 GLU cc_start: 0.8597 (OUTLIER) cc_final: 0.8176 (pm20) REVERT: B 2935 TYR cc_start: 0.6305 (OUTLIER) cc_final: 0.5376 (m-80) REVERT: B 3697 PRO cc_start: 0.9376 (OUTLIER) cc_final: 0.9117 (Cg_endo) REVERT: B 3725 TYR cc_start: 0.9547 (OUTLIER) cc_final: 0.8982 (t80) REVERT: B 3750 GLU cc_start: 0.8308 (OUTLIER) cc_final: 0.8052 (tm-30) REVERT: B 3753 PHE cc_start: 0.8837 (OUTLIER) cc_final: 0.8628 (t80) REVERT: B 3778 MET cc_start: 0.9547 (ppp) cc_final: 0.9313 (ppp) REVERT: B 3875 MET cc_start: 0.8668 (tpt) cc_final: 0.8329 (tpt) REVERT: B 3890 LEU cc_start: 0.9273 (OUTLIER) cc_final: 0.9030 (tp) REVERT: B 3937 TYR cc_start: 0.8490 (OUTLIER) cc_final: 0.8071 (m-80) REVERT: B 4026 MET cc_start: 0.9503 (tmm) cc_final: 0.9290 (tmm) REVERT: B 4068 LEU cc_start: 0.9048 (OUTLIER) cc_final: 0.8845 (pp) REVERT: B 4133 GLN cc_start: 0.8877 (OUTLIER) cc_final: 0.8576 (tp40) REVERT: B 4175 ARG cc_start: 0.9425 (OUTLIER) cc_final: 0.8984 (tpm170) REVERT: B 4212 GLU cc_start: 0.9348 (OUTLIER) cc_final: 0.9048 (pp20) REVERT: B 4640 GLU cc_start: 0.7979 (OUTLIER) cc_final: 0.7091 (tp30) REVERT: B 4643 LEU cc_start: 0.8548 (OUTLIER) cc_final: 0.7981 (tt) REVERT: B 4701 TRP cc_start: 0.8183 (OUTLIER) cc_final: 0.7449 (t-100) REVERT: B 4780 PHE cc_start: 0.9240 (OUTLIER) cc_final: 0.8854 (m-80) REVERT: B 4849 TYR cc_start: 0.8919 (OUTLIER) cc_final: 0.8348 (t80) REVERT: B 4886 HIS cc_start: 0.9194 (OUTLIER) cc_final: 0.8652 (m90) REVERT: B 4913 ARG cc_start: 0.8146 (OUTLIER) cc_final: 0.7792 (ttm170) REVERT: B 4954 MET cc_start: 0.6596 (OUTLIER) cc_final: 0.5973 (mtp) REVERT: B 5004 THR cc_start: 0.9192 (OUTLIER) cc_final: 0.8911 (p) REVERT: C 12 GLN cc_start: 0.8149 (OUTLIER) cc_final: 0.7870 (mm110) REVERT: C 67 PHE cc_start: 0.9153 (OUTLIER) cc_final: 0.8535 (m-80) REVERT: C 102 LEU cc_start: 0.8712 (OUTLIER) cc_final: 0.8465 (mp) REVERT: C 152 PRO cc_start: 0.9402 (OUTLIER) cc_final: 0.9123 (Cg_exo) REVERT: C 263 GLU cc_start: 0.8904 (OUTLIER) cc_final: 0.8539 (pm20) REVERT: C 394 GLN cc_start: 0.6881 (OUTLIER) cc_final: 0.6491 (mp10) REVERT: C 396 GLU cc_start: 0.9333 (OUTLIER) cc_final: 0.8798 (pp20) REVERT: C 475 GLN cc_start: 0.9235 (OUTLIER) cc_final: 0.8723 (pm20) REVERT: C 497 TYR cc_start: 0.9086 (OUTLIER) cc_final: 0.8303 (m-80) REVERT: C 510 GLU cc_start: 0.9367 (OUTLIER) cc_final: 0.8835 (pm20) REVERT: C 573 GLU cc_start: 0.9369 (OUTLIER) cc_final: 0.8759 (pp20) REVERT: C 960 MET cc_start: 0.7666 (mpp) cc_final: 0.6394 (tpp) REVERT: C 961 MET cc_start: 0.5717 (OUTLIER) cc_final: 0.4052 (ptp) REVERT: C 1087 ARG cc_start: 0.9194 (OUTLIER) cc_final: 0.8642 (mtt90) REVERT: C 1100 MET cc_start: 0.7565 (pmm) cc_final: 0.6976 (pmm) REVERT: C 1254 HIS cc_start: 0.8805 (OUTLIER) cc_final: 0.8384 (m-70) REVERT: C 1260 MET cc_start: 0.8352 (ppp) cc_final: 0.7819 (ppp) REVERT: C 1605 TRP cc_start: 0.8922 (OUTLIER) cc_final: 0.8577 (m-10) REVERT: C 1652 GLU cc_start: 0.9032 (OUTLIER) cc_final: 0.8470 (pp20) REVERT: C 1772 ARG cc_start: 0.8706 (OUTLIER) cc_final: 0.7943 (mmt180) REVERT: C 1786 LEU cc_start: 0.5536 (OUTLIER) cc_final: 0.5078 (mp) REVERT: C 1810 LYS cc_start: 0.9485 (OUTLIER) cc_final: 0.9116 (tptm) REVERT: C 1813 ARG cc_start: 0.9031 (OUTLIER) cc_final: 0.8476 (ptm-80) REVERT: C 1928 GLN cc_start: 0.9439 (OUTLIER) cc_final: 0.9087 (mt0) REVERT: C 1937 LEU cc_start: 0.9138 (OUTLIER) cc_final: 0.8857 (pp) REVERT: C 1997 GLU cc_start: 0.7307 (OUTLIER) cc_final: 0.6746 (mp0) REVERT: C 2186 MET cc_start: 0.9324 (OUTLIER) cc_final: 0.9073 (mmm) REVERT: C 2193 GLN cc_start: 0.8559 (OUTLIER) cc_final: 0.8135 (mm110) REVERT: C 2228 MET cc_start: 0.9079 (OUTLIER) cc_final: 0.8715 (mmm) REVERT: C 2472 LEU cc_start: 0.8691 (OUTLIER) cc_final: 0.8305 (mt) REVERT: C 2792 ARG cc_start: 0.4018 (OUTLIER) cc_final: 0.3416 (tmm-80) REVERT: C 2811 GLU cc_start: 0.8795 (OUTLIER) cc_final: 0.8518 (pm20) REVERT: C 2935 TYR cc_start: 0.6288 (OUTLIER) cc_final: 0.5379 (m-80) REVERT: C 3697 PRO cc_start: 0.9374 (OUTLIER) cc_final: 0.9118 (Cg_endo) REVERT: C 3715 LYS cc_start: 0.9354 (tmtt) cc_final: 0.9101 (tmtt) REVERT: C 3725 TYR cc_start: 0.9548 (OUTLIER) cc_final: 0.8992 (t80) REVERT: C 3753 PHE cc_start: 0.8458 (OUTLIER) cc_final: 0.8176 (t80) REVERT: C 3778 MET cc_start: 0.9549 (ppp) cc_final: 0.9316 (ppp) REVERT: C 3890 LEU cc_start: 0.9287 (OUTLIER) cc_final: 0.9073 (tp) REVERT: C 3937 TYR cc_start: 0.8461 (OUTLIER) cc_final: 0.7941 (m-10) REVERT: C 4068 LEU cc_start: 0.9048 (OUTLIER) cc_final: 0.8845 (pp) REVERT: C 4175 ARG cc_start: 0.9439 (OUTLIER) cc_final: 0.9001 (tpm170) REVERT: C 4212 GLU cc_start: 0.9349 (OUTLIER) cc_final: 0.9034 (pp20) REVERT: C 4640 GLU cc_start: 0.8031 (OUTLIER) cc_final: 0.7328 (tp30) REVERT: C 4643 LEU cc_start: 0.8602 (OUTLIER) cc_final: 0.8219 (tp) REVERT: C 4701 TRP cc_start: 0.8243 (OUTLIER) cc_final: 0.7396 (t-100) REVERT: C 4780 PHE cc_start: 0.9248 (OUTLIER) cc_final: 0.8860 (m-80) REVERT: C 4849 TYR cc_start: 0.8870 (OUTLIER) cc_final: 0.8294 (t80) REVERT: C 4886 HIS cc_start: 0.9188 (OUTLIER) cc_final: 0.8646 (m90) REVERT: C 4913 ARG cc_start: 0.8133 (OUTLIER) cc_final: 0.7785 (ttm170) REVERT: D 12 GLN cc_start: 0.7974 (OUTLIER) cc_final: 0.7589 (mm110) REVERT: D 67 PHE cc_start: 0.9153 (OUTLIER) cc_final: 0.8532 (m-80) REVERT: D 102 LEU cc_start: 0.8708 (OUTLIER) cc_final: 0.8469 (mp) REVERT: D 152 PRO cc_start: 0.9404 (OUTLIER) cc_final: 0.9121 (Cg_exo) REVERT: D 263 GLU cc_start: 0.8899 (OUTLIER) cc_final: 0.8533 (pm20) REVERT: D 394 GLN cc_start: 0.6874 (OUTLIER) cc_final: 0.6508 (mp10) REVERT: D 396 GLU cc_start: 0.9333 (OUTLIER) cc_final: 0.8799 (pp20) REVERT: D 475 GLN cc_start: 0.9233 (OUTLIER) cc_final: 0.8716 (pm20) REVERT: D 497 TYR cc_start: 0.9087 (OUTLIER) cc_final: 0.8317 (m-80) REVERT: D 510 GLU cc_start: 0.9388 (OUTLIER) cc_final: 0.8865 (pm20) REVERT: D 573 GLU cc_start: 0.9368 (OUTLIER) cc_final: 0.8758 (pp20) REVERT: D 960 MET cc_start: 0.7669 (mpp) cc_final: 0.6392 (tpp) REVERT: D 961 MET cc_start: 0.5704 (OUTLIER) cc_final: 0.4047 (ptp) REVERT: D 1054 GLU cc_start: -0.0186 (OUTLIER) cc_final: -0.0418 (tm-30) REVERT: D 1076 ARG cc_start: 0.9167 (OUTLIER) cc_final: 0.8765 (ptt-90) REVERT: D 1087 ARG cc_start: 0.9196 (OUTLIER) cc_final: 0.8644 (mtt90) REVERT: D 1100 MET cc_start: 0.7567 (pmm) cc_final: 0.6978 (pmm) REVERT: D 1254 HIS cc_start: 0.8794 (OUTLIER) cc_final: 0.8367 (m-70) REVERT: D 1260 MET cc_start: 0.8353 (ppp) cc_final: 0.7822 (ppp) REVERT: D 1605 TRP cc_start: 0.8924 (OUTLIER) cc_final: 0.8541 (m-10) REVERT: D 1652 GLU cc_start: 0.9029 (OUTLIER) cc_final: 0.8467 (pp20) REVERT: D 1772 ARG cc_start: 0.8718 (OUTLIER) cc_final: 0.7949 (mmt180) REVERT: D 1786 LEU cc_start: 0.5083 (OUTLIER) cc_final: 0.4659 (mp) REVERT: D 1810 LYS cc_start: 0.9488 (OUTLIER) cc_final: 0.9130 (tptm) REVERT: D 1813 ARG cc_start: 0.9029 (OUTLIER) cc_final: 0.8477 (ptm-80) REVERT: D 1928 GLN cc_start: 0.9437 (OUTLIER) cc_final: 0.9082 (mt0) REVERT: D 1937 LEU cc_start: 0.9131 (OUTLIER) cc_final: 0.8825 (pp) REVERT: D 1997 GLU cc_start: 0.7324 (OUTLIER) cc_final: 0.6752 (mp0) REVERT: D 2186 MET cc_start: 0.9322 (OUTLIER) cc_final: 0.9070 (mmm) REVERT: D 2193 GLN cc_start: 0.8581 (OUTLIER) cc_final: 0.8152 (mm110) REVERT: D 2228 MET cc_start: 0.9079 (OUTLIER) cc_final: 0.8714 (mmm) REVERT: D 2472 LEU cc_start: 0.8695 (OUTLIER) cc_final: 0.8307 (mt) REVERT: D 2792 ARG cc_start: 0.4180 (OUTLIER) cc_final: 0.3740 (tmm-80) REVERT: D 2811 GLU cc_start: 0.8800 (OUTLIER) cc_final: 0.8521 (pm20) REVERT: D 2935 TYR cc_start: 0.6309 (OUTLIER) cc_final: 0.5408 (m-80) REVERT: D 3697 PRO cc_start: 0.9379 (OUTLIER) cc_final: 0.9123 (Cg_endo) REVERT: D 3725 TYR cc_start: 0.9543 (OUTLIER) cc_final: 0.8937 (t80) REVERT: D 3753 PHE cc_start: 0.8465 (OUTLIER) cc_final: 0.8175 (t80) REVERT: D 3778 MET cc_start: 0.9556 (ppp) cc_final: 0.9315 (ppp) REVERT: D 3875 MET cc_start: 0.8670 (tpt) cc_final: 0.8337 (tpt) REVERT: D 3890 LEU cc_start: 0.9281 (OUTLIER) cc_final: 0.9059 (tp) REVERT: D 3937 TYR cc_start: 0.8518 (OUTLIER) cc_final: 0.8102 (m-10) REVERT: D 3986 TRP cc_start: 0.9222 (OUTLIER) cc_final: 0.8904 (m100) REVERT: D 4026 MET cc_start: 0.9498 (tmm) cc_final: 0.9283 (tmm) REVERT: D 4068 LEU cc_start: 0.9047 (OUTLIER) cc_final: 0.8836 (pp) REVERT: D 4133 GLN cc_start: 0.8891 (OUTLIER) cc_final: 0.8591 (tp40) REVERT: D 4175 ARG cc_start: 0.9447 (OUTLIER) cc_final: 0.9010 (tpm170) REVERT: D 4212 GLU cc_start: 0.9368 (OUTLIER) cc_final: 0.9059 (pp20) REVERT: D 4640 GLU cc_start: 0.7957 (OUTLIER) cc_final: 0.7068 (tp30) REVERT: D 4643 LEU cc_start: 0.8648 (OUTLIER) cc_final: 0.8243 (tp) REVERT: D 4701 TRP cc_start: 0.8183 (OUTLIER) cc_final: 0.7421 (t-100) REVERT: D 4780 PHE cc_start: 0.9247 (OUTLIER) cc_final: 0.8859 (m-80) REVERT: D 4807 PHE cc_start: 0.6914 (OUTLIER) cc_final: 0.6579 (p90) REVERT: D 4849 TYR cc_start: 0.8920 (OUTLIER) cc_final: 0.8350 (t80) REVERT: D 4886 HIS cc_start: 0.9199 (OUTLIER) cc_final: 0.8665 (m90) REVERT: D 4913 ARG cc_start: 0.8146 (OUTLIER) cc_final: 0.7878 (ttm170) REVERT: D 4954 MET cc_start: 0.6527 (OUTLIER) cc_final: 0.5944 (mtp) outliers start: 2616 outliers final: 1736 residues processed: 2965 average time/residue: 0.9014 time to fit residues: 4794.4463 Evaluate side-chains 2420 residues out of total 11344 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 1929 poor density : 491 time to evaluate : 8.724 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 12 GLN Chi-restraints excluded: chain A residue 14 LEU Chi-restraints excluded: chain A residue 17 ASP Chi-restraints excluded: chain A residue 18 ASP Chi-restraints excluded: chain A residue 29 LEU Chi-restraints excluded: chain A residue 40 GLU Chi-restraints excluded: chain A residue 62 LEU Chi-restraints excluded: chain A residue 67 PHE Chi-restraints excluded: chain A residue 70 GLU Chi-restraints excluded: chain A residue 71 GLN Chi-restraints excluded: chain A residue 73 LEU Chi-restraints excluded: chain A residue 75 VAL Chi-restraints excluded: chain A residue 76 ARG Chi-restraints excluded: chain A residue 100 THR Chi-restraints excluded: chain A residue 102 LEU Chi-restraints excluded: chain A residue 109 LEU Chi-restraints excluded: chain A residue 111 HIS Chi-restraints excluded: chain A residue 113 HIS Chi-restraints excluded: chain A residue 118 LEU Chi-restraints excluded: chain A residue 121 LEU Chi-restraints excluded: chain A residue 123 THR Chi-restraints excluded: chain A residue 135 VAL Chi-restraints excluded: chain A residue 144 GLU Chi-restraints excluded: chain A residue 149 THR Chi-restraints excluded: chain A residue 152 PRO Chi-restraints excluded: chain A residue 156 GLN Chi-restraints excluded: chain A residue 163 VAL Chi-restraints excluded: chain A residue 165 VAL Chi-restraints excluded: chain A residue 167 ASP Chi-restraints excluded: chain A residue 169 LEU Chi-restraints excluded: chain A residue 173 SER Chi-restraints excluded: chain A residue 179 TYR Chi-restraints excluded: chain A residue 181 HIS Chi-restraints excluded: chain A residue 205 ILE Chi-restraints excluded: chain A residue 208 CYS Chi-restraints excluded: chain A residue 210 GLU Chi-restraints excluded: chain A residue 211 GLU Chi-restraints excluded: chain A residue 222 LEU Chi-restraints excluded: chain A residue 257 ARG Chi-restraints excluded: chain A residue 262 LEU Chi-restraints excluded: chain A residue 263 GLU Chi-restraints excluded: chain A residue 270 SER Chi-restraints excluded: chain A residue 289 ARG Chi-restraints excluded: chain A residue 294 THR Chi-restraints excluded: chain A residue 299 LEU Chi-restraints excluded: chain A residue 301 VAL Chi-restraints excluded: chain A residue 302 VAL Chi-restraints excluded: chain A residue 303 ASP Chi-restraints excluded: chain A residue 313 SER Chi-restraints excluded: chain A residue 343 GLU Chi-restraints excluded: chain A residue 345 LEU Chi-restraints excluded: chain A residue 355 LEU Chi-restraints excluded: chain A residue 358 THR Chi-restraints excluded: chain A residue 359 TYR Chi-restraints excluded: chain A residue 372 LEU Chi-restraints excluded: chain A residue 385 ASP Chi-restraints excluded: chain A residue 390 LEU Chi-restraints excluded: chain A residue 394 GLN Chi-restraints excluded: chain A residue 396 GLU Chi-restraints excluded: chain A residue 397 GLU Chi-restraints excluded: chain A residue 403 MET Chi-restraints excluded: chain A residue 415 ILE Chi-restraints excluded: chain A residue 438 ILE Chi-restraints excluded: chain A residue 439 GLU Chi-restraints excluded: chain A residue 442 ILE Chi-restraints excluded: chain A residue 447 ASP Chi-restraints excluded: chain A residue 455 PRO Chi-restraints excluded: chain A residue 462 GLU Chi-restraints excluded: chain A residue 475 GLN Chi-restraints excluded: chain A residue 483 MET Chi-restraints excluded: chain A residue 485 SER Chi-restraints excluded: chain A residue 487 VAL Chi-restraints excluded: chain A residue 488 LEU Chi-restraints excluded: chain A residue 491 ILE Chi-restraints excluded: chain A residue 497 TYR Chi-restraints excluded: chain A residue 506 TYR Chi-restraints excluded: chain A residue 510 GLU Chi-restraints excluded: chain A residue 513 GLU Chi-restraints excluded: chain A residue 514 SER Chi-restraints excluded: chain A residue 517 GLU Chi-restraints excluded: chain A residue 519 VAL Chi-restraints excluded: chain A residue 522 LEU Chi-restraints excluded: chain A residue 526 LEU Chi-restraints excluded: chain A residue 533 ASN Chi-restraints excluded: chain A residue 536 ASN Chi-restraints excluded: chain A residue 539 LEU Chi-restraints excluded: chain A residue 540 PHE Chi-restraints excluded: chain A residue 541 SER Chi-restraints excluded: chain A residue 547 VAL Chi-restraints excluded: chain A residue 561 LEU Chi-restraints excluded: chain A residue 563 VAL Chi-restraints excluded: chain A residue 564 LEU Chi-restraints excluded: chain A residue 569 ILE Chi-restraints excluded: chain A residue 573 GLU Chi-restraints excluded: chain A residue 575 LEU Chi-restraints excluded: chain A residue 582 HIS Chi-restraints excluded: chain A residue 586 ILE Chi-restraints excluded: chain A residue 590 LEU Chi-restraints excluded: chain A residue 591 ASP Chi-restraints excluded: chain A residue 599 VAL Chi-restraints excluded: chain A residue 609 CYS Chi-restraints excluded: chain A residue 625 LEU Chi-restraints excluded: chain A residue 631 LEU Chi-restraints excluded: chain A residue 635 THR Chi-restraints excluded: chain A residue 638 ILE Chi-restraints excluded: chain A residue 641 VAL Chi-restraints excluded: chain A residue 642 THR Chi-restraints excluded: chain A residue 665 GLU Chi-restraints excluded: chain A residue 669 ASP Chi-restraints excluded: chain A residue 680 THR Chi-restraints excluded: chain A residue 681 HIS Chi-restraints excluded: chain A residue 695 TYR Chi-restraints excluded: chain A residue 702 TRP Chi-restraints excluded: chain A residue 709 ASP Chi-restraints excluded: chain A residue 737 LEU Chi-restraints excluded: chain A residue 751 SER Chi-restraints excluded: chain A residue 752 VAL Chi-restraints excluded: chain A residue 757 PHE Chi-restraints excluded: chain A residue 771 PHE Chi-restraints excluded: chain A residue 829 TYR Chi-restraints excluded: chain A residue 840 VAL Chi-restraints excluded: chain A residue 867 LEU Chi-restraints excluded: chain A residue 869 ARG Chi-restraints excluded: chain A residue 881 LEU Chi-restraints excluded: chain A residue 886 ARG Chi-restraints excluded: chain A residue 896 VAL Chi-restraints excluded: chain A residue 900 ASN Chi-restraints excluded: chain A residue 908 VAL Chi-restraints excluded: chain A residue 924 MET Chi-restraints excluded: chain A residue 948 ASP Chi-restraints excluded: chain A residue 961 MET Chi-restraints excluded: chain A residue 965 TYR Chi-restraints excluded: chain A residue 971 ASP Chi-restraints excluded: chain A residue 972 LEU Chi-restraints excluded: chain A residue 974 HIS Chi-restraints excluded: chain A residue 978 THR Chi-restraints excluded: chain A residue 1036 ARG Chi-restraints excluded: chain A residue 1037 ASP Chi-restraints excluded: chain A residue 1072 VAL Chi-restraints excluded: chain A residue 1076 ARG Chi-restraints excluded: chain A residue 1081 TYR Chi-restraints excluded: chain A residue 1087 ARG Chi-restraints excluded: chain A residue 1101 ARG Chi-restraints excluded: chain A residue 1108 GLU Chi-restraints excluded: chain A residue 1127 HIS Chi-restraints excluded: chain A residue 1132 TRP Chi-restraints excluded: chain A residue 1133 HIS Chi-restraints excluded: chain A residue 1134 LEU Chi-restraints excluded: chain A residue 1139 PHE Chi-restraints excluded: chain A residue 1143 TRP Chi-restraints excluded: chain A residue 1158 ASN Chi-restraints excluded: chain A residue 1163 THR Chi-restraints excluded: chain A residue 1169 LEU Chi-restraints excluded: chain A residue 1170 MET Chi-restraints excluded: chain A residue 1172 ASP Chi-restraints excluded: chain A residue 1176 GLU Chi-restraints excluded: chain A residue 1184 ILE Chi-restraints excluded: chain A residue 1191 VAL Chi-restraints excluded: chain A residue 1201 HIS Chi-restraints excluded: chain A residue 1203 ASN Chi-restraints excluded: chain A residue 1235 THR Chi-restraints excluded: chain A residue 1242 LEU Chi-restraints excluded: chain A residue 1245 PHE Chi-restraints excluded: chain A residue 1248 VAL Chi-restraints excluded: chain A residue 1251 GLU Chi-restraints excluded: chain A residue 1254 HIS Chi-restraints excluded: chain A residue 1266 THR Chi-restraints excluded: chain A residue 1597 VAL Chi-restraints excluded: chain A residue 1600 LEU Chi-restraints excluded: chain A residue 1605 TRP Chi-restraints excluded: chain A residue 1608 MET Chi-restraints excluded: chain A residue 1613 LEU Chi-restraints excluded: chain A residue 1641 ILE Chi-restraints excluded: chain A residue 1649 ASP Chi-restraints excluded: chain A residue 1652 GLU Chi-restraints excluded: chain A residue 1657 LEU Chi-restraints excluded: chain A residue 1666 THR Chi-restraints excluded: chain A residue 1673 VAL Chi-restraints excluded: chain A residue 1679 ASN Chi-restraints excluded: chain A residue 1694 LEU Chi-restraints excluded: chain A residue 1695 LEU Chi-restraints excluded: chain A residue 1700 ASP Chi-restraints excluded: chain A residue 1703 LEU Chi-restraints excluded: chain A residue 1707 LEU Chi-restraints excluded: chain A residue 1713 ASP Chi-restraints excluded: chain A residue 1720 LEU Chi-restraints excluded: chain A residue 1731 LEU Chi-restraints excluded: chain A residue 1738 LEU Chi-restraints excluded: chain A residue 1739 THR Chi-restraints excluded: chain A residue 1743 ARG Chi-restraints excluded: chain A residue 1770 SER Chi-restraints excluded: chain A residue 1772 ARG Chi-restraints excluded: chain A residue 1778 SER Chi-restraints excluded: chain A residue 1786 LEU Chi-restraints excluded: chain A residue 1797 ARG Chi-restraints excluded: chain A residue 1798 LEU Chi-restraints excluded: chain A residue 1810 LYS Chi-restraints excluded: chain A residue 1813 ARG Chi-restraints excluded: chain A residue 1839 VAL Chi-restraints excluded: chain A residue 1842 LEU Chi-restraints excluded: chain A residue 1848 LEU Chi-restraints excluded: chain A residue 1850 VAL Chi-restraints excluded: chain A residue 1853 ILE Chi-restraints excluded: chain A residue 1856 ASP Chi-restraints excluded: chain A residue 1857 GLU Chi-restraints excluded: chain A residue 1861 GLN Chi-restraints excluded: chain A residue 1928 GLN Chi-restraints excluded: chain A residue 1937 LEU Chi-restraints excluded: chain A residue 1939 MET Chi-restraints excluded: chain A residue 1942 LEU Chi-restraints excluded: chain A residue 1943 LEU Chi-restraints excluded: chain A residue 1944 GLU Chi-restraints excluded: chain A residue 1958 LEU Chi-restraints excluded: chain A residue 1963 GLU Chi-restraints excluded: chain A residue 1966 VAL Chi-restraints excluded: chain A residue 1976 ARG Chi-restraints excluded: chain A residue 1996 ARG Chi-restraints excluded: chain A residue 1997 GLU Chi-restraints excluded: chain A residue 2030 ASP Chi-restraints excluded: chain A residue 2031 LEU Chi-restraints excluded: chain A residue 2034 PHE Chi-restraints excluded: chain A residue 2094 LEU Chi-restraints excluded: chain A residue 2095 GLN Chi-restraints excluded: chain A residue 2098 VAL Chi-restraints excluded: chain A residue 2101 MET Chi-restraints excluded: chain A residue 2103 VAL Chi-restraints excluded: chain A residue 2115 GLU Chi-restraints excluded: chain A residue 2117 VAL Chi-restraints excluded: chain A residue 2125 HIS Chi-restraints excluded: chain A residue 2138 LEU Chi-restraints excluded: chain A residue 2143 THR Chi-restraints excluded: chain A residue 2148 SER Chi-restraints excluded: chain A residue 2150 GLU Chi-restraints excluded: chain A residue 2155 LEU Chi-restraints excluded: chain A residue 2164 SER Chi-restraints excluded: chain A residue 2166 LEU Chi-restraints excluded: chain A residue 2180 GLN Chi-restraints excluded: chain A residue 2184 ASN Chi-restraints excluded: chain A residue 2185 ILE Chi-restraints excluded: chain A residue 2186 MET Chi-restraints excluded: chain A residue 2187 ASN Chi-restraints excluded: chain A residue 2189 LYS Chi-restraints excluded: chain A residue 2193 GLN Chi-restraints excluded: chain A residue 2207 VAL Chi-restraints excluded: chain A residue 2228 MET Chi-restraints excluded: chain A residue 2229 VAL Chi-restraints excluded: chain A residue 2232 CYS Chi-restraints excluded: chain A residue 2246 ASN Chi-restraints excluded: chain A residue 2248 ARG Chi-restraints excluded: chain A residue 2251 PHE Chi-restraints excluded: chain A residue 2254 LEU Chi-restraints excluded: chain A residue 2256 TYR Chi-restraints excluded: chain A residue 2258 LEU Chi-restraints excluded: chain A residue 2260 ASN Chi-restraints excluded: chain A residue 2265 LEU Chi-restraints excluded: chain A residue 2275 VAL Chi-restraints excluded: chain A residue 2279 SER Chi-restraints excluded: chain A residue 2280 VAL Chi-restraints excluded: chain A residue 2292 GLU Chi-restraints excluded: chain A residue 2298 VAL Chi-restraints excluded: chain A residue 2334 PHE Chi-restraints excluded: chain A residue 2347 GLU Chi-restraints excluded: chain A residue 2348 GLU Chi-restraints excluded: chain A residue 2349 ASN Chi-restraints excluded: chain A residue 2354 VAL Chi-restraints excluded: chain A residue 2356 LEU Chi-restraints excluded: chain A residue 2357 LEU Chi-restraints excluded: chain A residue 2358 ILE Chi-restraints excluded: chain A residue 2376 LEU Chi-restraints excluded: chain A residue 2377 LEU Chi-restraints excluded: chain A residue 2380 ILE Chi-restraints excluded: chain A residue 2418 LEU Chi-restraints excluded: chain A residue 2432 LEU Chi-restraints excluded: chain A residue 2433 LEU Chi-restraints excluded: chain A residue 2454 ARG Chi-restraints excluded: chain A residue 2460 LEU Chi-restraints excluded: chain A residue 2463 LEU Chi-restraints excluded: chain A residue 2472 LEU Chi-restraints excluded: chain A residue 2752 ASP Chi-restraints excluded: chain A residue 2756 ASN Chi-restraints excluded: chain A residue 2762 THR Chi-restraints excluded: chain A residue 2773 ASN Chi-restraints excluded: chain A residue 2792 ARG Chi-restraints excluded: chain A residue 2796 THR Chi-restraints excluded: chain A residue 2802 LYS Chi-restraints excluded: chain A residue 2809 ILE Chi-restraints excluded: chain A residue 2811 GLU Chi-restraints excluded: chain A residue 2816 MET Chi-restraints excluded: chain A residue 2855 TYR Chi-restraints excluded: chain A residue 2856 ASN Chi-restraints excluded: chain A residue 2868 SER Chi-restraints excluded: chain A residue 2881 ASN Chi-restraints excluded: chain A residue 2885 THR Chi-restraints excluded: chain A residue 2888 ARG Chi-restraints excluded: chain A residue 2902 HIS Chi-restraints excluded: chain A residue 2905 LEU Chi-restraints excluded: chain A residue 2906 VAL Chi-restraints excluded: chain A residue 2908 TYR Chi-restraints excluded: chain A residue 2910 THR Chi-restraints excluded: chain A residue 2911 LEU Chi-restraints excluded: chain A residue 2912 THR Chi-restraints excluded: chain A residue 2915 GLU Chi-restraints excluded: chain A residue 2927 LEU Chi-restraints excluded: chain A residue 2929 PHE Chi-restraints excluded: chain A residue 2935 TYR Chi-restraints excluded: chain A residue 2938 THR Chi-restraints excluded: chain A residue 3646 THR Chi-restraints excluded: chain A residue 3651 ASN Chi-restraints excluded: chain A residue 3661 TRP Chi-restraints excluded: chain A residue 3665 GLU Chi-restraints excluded: chain A residue 3666 ASP Chi-restraints excluded: chain A residue 3676 ASP Chi-restraints excluded: chain A residue 3679 LYS Chi-restraints excluded: chain A residue 3697 PRO Chi-restraints excluded: chain A residue 3701 LEU Chi-restraints excluded: chain A residue 3702 VAL Chi-restraints excluded: chain A residue 3708 THR Chi-restraints excluded: chain A residue 3711 THR Chi-restraints excluded: chain A residue 3714 SER Chi-restraints excluded: chain A residue 3720 TYR Chi-restraints excluded: chain A residue 3722 TYR Chi-restraints excluded: chain A residue 3725 TYR Chi-restraints excluded: chain A residue 3727 ASP Chi-restraints excluded: chain A residue 3732 SER Chi-restraints excluded: chain A residue 3753 PHE Chi-restraints excluded: chain A residue 3763 LEU Chi-restraints excluded: chain A residue 3773 ARG Chi-restraints excluded: chain A residue 3786 CYS Chi-restraints excluded: chain A residue 3787 LYS Chi-restraints excluded: chain A residue 3790 THR Chi-restraints excluded: chain A residue 3796 SER Chi-restraints excluded: chain A residue 3798 LEU Chi-restraints excluded: chain A residue 3802 ILE Chi-restraints excluded: chain A residue 3811 GLU Chi-restraints excluded: chain A residue 3812 VAL Chi-restraints excluded: chain A residue 3816 MET Chi-restraints excluded: chain A residue 3828 PHE Chi-restraints excluded: chain A residue 3838 THR Chi-restraints excluded: chain A residue 3843 ASP Chi-restraints excluded: chain A residue 3844 LEU Chi-restraints excluded: chain A residue 3882 GLN Chi-restraints excluded: chain A residue 3883 ASP Chi-restraints excluded: chain A residue 3884 LEU Chi-restraints excluded: chain A residue 3890 LEU Chi-restraints excluded: chain A residue 3891 LEU Chi-restraints excluded: chain A residue 3895 HIS Chi-restraints excluded: chain A residue 3900 GLN Chi-restraints excluded: chain A residue 3913 ILE Chi-restraints excluded: chain A residue 3915 ILE Chi-restraints excluded: chain A residue 3916 ILE Chi-restraints excluded: chain A residue 3917 ILE Chi-restraints excluded: chain A residue 3920 VAL Chi-restraints excluded: chain A residue 3924 LEU Chi-restraints excluded: chain A residue 3927 GLN Chi-restraints excluded: chain A residue 3928 GLU Chi-restraints excluded: chain A residue 3929 SER Chi-restraints excluded: chain A residue 3931 SER Chi-restraints excluded: chain A residue 3937 TYR Chi-restraints excluded: chain A residue 3946 GLN Chi-restraints excluded: chain A residue 3957 VAL Chi-restraints excluded: chain A residue 3961 VAL Chi-restraints excluded: chain A residue 3964 SER Chi-restraints excluded: chain A residue 3969 ILE Chi-restraints excluded: chain A residue 3974 THR Chi-restraints excluded: chain A residue 3982 HIS Chi-restraints excluded: chain A residue 3987 ASP Chi-restraints excluded: chain A residue 3990 VAL Chi-restraints excluded: chain A residue 3993 LEU Chi-restraints excluded: chain A residue 3996 PHE Chi-restraints excluded: chain A residue 4013 LEU Chi-restraints excluded: chain A residue 4020 GLN Chi-restraints excluded: chain A residue 4022 ASP Chi-restraints excluded: chain A residue 4023 MET Chi-restraints excluded: chain A residue 4025 VAL Chi-restraints excluded: chain A residue 4029 SER Chi-restraints excluded: chain A residue 4034 ASN Chi-restraints excluded: chain A residue 4040 ILE Chi-restraints excluded: chain A residue 4045 VAL Chi-restraints excluded: chain A residue 4046 ASP Chi-restraints excluded: chain A residue 4049 VAL Chi-restraints excluded: chain A residue 4051 SER Chi-restraints excluded: chain A residue 4055 VAL Chi-restraints excluded: chain A residue 4066 LEU Chi-restraints excluded: chain A residue 4068 LEU Chi-restraints excluded: chain A residue 4070 ASP Chi-restraints excluded: chain A residue 4090 LYS Chi-restraints excluded: chain A residue 4097 MET Chi-restraints excluded: chain A residue 4102 GLN Chi-restraints excluded: chain A residue 4109 GLN Chi-restraints excluded: chain A residue 4121 GLU Chi-restraints excluded: chain A residue 4128 PHE Chi-restraints excluded: chain A residue 4133 GLN Chi-restraints excluded: chain A residue 4139 ILE Chi-restraints excluded: chain A residue 4143 VAL Chi-restraints excluded: chain A residue 4151 SER Chi-restraints excluded: chain A residue 4157 ASP Chi-restraints excluded: chain A residue 4159 ARG Chi-restraints excluded: chain A residue 4162 ASN Chi-restraints excluded: chain A residue 4164 LEU Chi-restraints excluded: chain A residue 4166 LEU Chi-restraints excluded: chain A residue 4171 LEU Chi-restraints excluded: chain A residue 4175 ARG Chi-restraints excluded: chain A residue 4178 LEU Chi-restraints excluded: chain A residue 4181 ILE Chi-restraints excluded: chain A residue 4184 MET Chi-restraints excluded: chain A residue 4190 ILE Chi-restraints excluded: chain A residue 4200 THR Chi-restraints excluded: chain A residue 4212 GLU Chi-restraints excluded: chain A residue 4220 ASP Chi-restraints excluded: chain A residue 4231 MET Chi-restraints excluded: chain A residue 4238 CYS Chi-restraints excluded: chain A residue 4244 GLU Chi-restraints excluded: chain A residue 4251 ILE Chi-restraints excluded: chain A residue 4252 SER Chi-restraints excluded: chain A residue 4549 VAL Chi-restraints excluded: chain A residue 4558 ASN Chi-restraints excluded: chain A residue 4565 LEU Chi-restraints excluded: chain A residue 4573 ILE Chi-restraints excluded: chain A residue 4577 LEU Chi-restraints excluded: chain A residue 4630 TYR Chi-restraints excluded: chain A residue 4631 PHE Chi-restraints excluded: chain A residue 4632 LEU Chi-restraints excluded: chain A residue 4635 SER Chi-restraints excluded: chain A residue 4640 GLU Chi-restraints excluded: chain A residue 4643 LEU Chi-restraints excluded: chain A residue 4646 LEU Chi-restraints excluded: chain A residue 4649 LEU Chi-restraints excluded: chain A residue 4651 THR Chi-restraints excluded: chain A residue 4652 LEU Chi-restraints excluded: chain A residue 4653 VAL Chi-restraints excluded: chain A residue 4656 LEU Chi-restraints excluded: chain A residue 4657 CYS Chi-restraints excluded: chain A residue 4663 CYS Chi-restraints excluded: chain A residue 4671 PHE Chi-restraints excluded: chain A residue 4677 LEU Chi-restraints excluded: chain A residue 4684 ASP Chi-restraints excluded: chain A residue 4688 ILE Chi-restraints excluded: chain A residue 4691 GLN Chi-restraints excluded: chain A residue 4701 TRP Chi-restraints excluded: chain A residue 4720 VAL Chi-restraints excluded: chain A residue 4723 LYS Chi-restraints excluded: chain A residue 4739 GLU Chi-restraints excluded: chain A residue 4740 LEU Chi-restraints excluded: chain A residue 4747 SER Chi-restraints excluded: chain A residue 4771 ILE Chi-restraints excluded: chain A residue 4774 LYS Chi-restraints excluded: chain A residue 4780 PHE Chi-restraints excluded: chain A residue 4783 ILE Chi-restraints excluded: chain A residue 4786 ASP Chi-restraints excluded: chain A residue 4788 SER Chi-restraints excluded: chain A residue 4794 TRP Chi-restraints excluded: chain A residue 4797 VAL Chi-restraints excluded: chain A residue 4814 LEU Chi-restraints excluded: chain A residue 4818 MET Chi-restraints excluded: chain A residue 4822 THR Chi-restraints excluded: chain A residue 4838 VAL Chi-restraints excluded: chain A residue 4849 TYR Chi-restraints excluded: chain A residue 4852 THR Chi-restraints excluded: chain A residue 4854 VAL Chi-restraints excluded: chain A residue 4867 GLU Chi-restraints excluded: chain A residue 4870 ASP Chi-restraints excluded: chain A residue 4877 ASP Chi-restraints excluded: chain A residue 4886 HIS Chi-restraints excluded: chain A residue 4901 ILE Chi-restraints excluded: chain A residue 4904 PRO Chi-restraints excluded: chain A residue 4913 ARG Chi-restraints excluded: chain A residue 4915 VAL Chi-restraints excluded: chain A residue 4918 ILE Chi-restraints excluded: chain A residue 4919 THR Chi-restraints excluded: chain A residue 4921 PHE Chi-restraints excluded: chain A residue 4936 ILE Chi-restraints excluded: chain A residue 4945 ASP Chi-restraints excluded: chain A residue 4950 VAL Chi-restraints excluded: chain A residue 4966 ASP Chi-restraints excluded: chain A residue 4976 GLU Chi-restraints excluded: chain A residue 4983 HIS Chi-restraints excluded: chain A residue 4985 LEU Chi-restraints excluded: chain A residue 4990 PHE Chi-restraints excluded: chain A residue 4994 TYR Chi-restraints excluded: chain A residue 4999 ASP Chi-restraints excluded: chain A residue 5010 VAL Chi-restraints excluded: chain A residue 5020 ASP Chi-restraints excluded: chain A residue 5027 CYS Chi-restraints excluded: chain B residue 12 GLN Chi-restraints excluded: chain B residue 14 LEU Chi-restraints excluded: chain B residue 17 ASP Chi-restraints excluded: chain B residue 18 ASP Chi-restraints excluded: chain B residue 29 LEU Chi-restraints excluded: chain B residue 40 GLU Chi-restraints excluded: chain B residue 67 PHE Chi-restraints excluded: chain B residue 70 GLU Chi-restraints excluded: chain B residue 73 LEU Chi-restraints excluded: chain B residue 75 VAL Chi-restraints excluded: chain B residue 76 ARG Chi-restraints excluded: chain B residue 100 THR Chi-restraints excluded: chain B residue 102 LEU Chi-restraints excluded: chain B residue 109 LEU Chi-restraints excluded: chain B residue 111 HIS Chi-restraints excluded: chain B residue 113 HIS Chi-restraints excluded: chain B residue 118 LEU Chi-restraints excluded: chain B residue 121 LEU Chi-restraints excluded: chain B residue 123 THR Chi-restraints excluded: chain B residue 135 VAL Chi-restraints excluded: chain B residue 144 GLU Chi-restraints excluded: chain B residue 149 THR Chi-restraints excluded: chain B residue 152 PRO Chi-restraints excluded: chain B residue 156 GLN Chi-restraints excluded: chain B residue 163 VAL Chi-restraints excluded: chain B residue 165 VAL Chi-restraints excluded: chain B residue 167 ASP Chi-restraints excluded: chain B residue 169 LEU Chi-restraints excluded: chain B residue 173 SER Chi-restraints excluded: chain B residue 179 TYR Chi-restraints excluded: chain B residue 181 HIS Chi-restraints excluded: chain B residue 205 ILE Chi-restraints excluded: chain B residue 208 CYS Chi-restraints excluded: chain B residue 210 GLU Chi-restraints excluded: chain B residue 211 GLU Chi-restraints excluded: chain B residue 222 LEU Chi-restraints excluded: chain B residue 257 ARG Chi-restraints excluded: chain B residue 262 LEU Chi-restraints excluded: chain B residue 263 GLU Chi-restraints excluded: chain B residue 270 SER Chi-restraints excluded: chain B residue 289 ARG Chi-restraints excluded: chain B residue 294 THR Chi-restraints excluded: chain B residue 299 LEU Chi-restraints excluded: chain B residue 301 VAL Chi-restraints excluded: chain B residue 302 VAL Chi-restraints excluded: chain B residue 303 ASP Chi-restraints excluded: chain B residue 313 SER Chi-restraints excluded: chain B residue 315 CYS Chi-restraints excluded: chain B residue 343 GLU Chi-restraints excluded: chain B residue 345 LEU Chi-restraints excluded: chain B residue 355 LEU Chi-restraints excluded: chain B residue 358 THR Chi-restraints excluded: chain B residue 359 TYR Chi-restraints excluded: chain B residue 372 LEU Chi-restraints excluded: chain B residue 385 ASP Chi-restraints excluded: chain B residue 390 LEU Chi-restraints excluded: chain B residue 396 GLU Chi-restraints excluded: chain B residue 397 GLU Chi-restraints excluded: chain B residue 403 MET Chi-restraints excluded: chain B residue 415 ILE Chi-restraints excluded: chain B residue 438 ILE Chi-restraints excluded: chain B residue 439 GLU Chi-restraints excluded: chain B residue 442 ILE Chi-restraints excluded: chain B residue 445 LEU Chi-restraints excluded: chain B residue 447 ASP Chi-restraints excluded: chain B residue 455 PRO Chi-restraints excluded: chain B residue 461 HIS Chi-restraints excluded: chain B residue 462 GLU Chi-restraints excluded: chain B residue 463 GLU Chi-restraints excluded: chain B residue 475 GLN Chi-restraints excluded: chain B residue 483 MET Chi-restraints excluded: chain B residue 485 SER Chi-restraints excluded: chain B residue 487 VAL Chi-restraints excluded: chain B residue 488 LEU Chi-restraints excluded: chain B residue 491 ILE Chi-restraints excluded: chain B residue 497 TYR Chi-restraints excluded: chain B residue 506 TYR Chi-restraints excluded: chain B residue 510 GLU Chi-restraints excluded: chain B residue 513 GLU Chi-restraints excluded: chain B residue 514 SER Chi-restraints excluded: chain B residue 517 GLU Chi-restraints excluded: chain B residue 519 VAL Chi-restraints excluded: chain B residue 522 LEU Chi-restraints excluded: chain B residue 526 LEU Chi-restraints excluded: chain B residue 533 ASN Chi-restraints excluded: chain B residue 536 ASN Chi-restraints excluded: chain B residue 539 LEU Chi-restraints excluded: chain B residue 540 PHE Chi-restraints excluded: chain B residue 541 SER Chi-restraints excluded: chain B residue 547 VAL Chi-restraints excluded: chain B residue 561 LEU Chi-restraints excluded: chain B residue 563 VAL Chi-restraints excluded: chain B residue 564 LEU Chi-restraints excluded: chain B residue 569 ILE Chi-restraints excluded: chain B residue 573 GLU Chi-restraints excluded: chain B residue 575 LEU Chi-restraints excluded: chain B residue 582 HIS Chi-restraints excluded: chain B residue 586 ILE Chi-restraints excluded: chain B residue 590 LEU Chi-restraints excluded: chain B residue 591 ASP Chi-restraints excluded: chain B residue 599 VAL Chi-restraints excluded: chain B residue 609 CYS Chi-restraints excluded: chain B residue 625 LEU Chi-restraints excluded: chain B residue 631 LEU Chi-restraints excluded: chain B residue 632 LEU Chi-restraints excluded: chain B residue 635 THR Chi-restraints excluded: chain B residue 638 ILE Chi-restraints excluded: chain B residue 641 VAL Chi-restraints excluded: chain B residue 642 THR Chi-restraints excluded: chain B residue 665 GLU Chi-restraints excluded: chain B residue 669 ASP Chi-restraints excluded: chain B residue 680 THR Chi-restraints excluded: chain B residue 681 HIS Chi-restraints excluded: chain B residue 695 TYR Chi-restraints excluded: chain B residue 702 TRP Chi-restraints excluded: chain B residue 709 ASP Chi-restraints excluded: chain B residue 737 LEU Chi-restraints excluded: chain B residue 751 SER Chi-restraints excluded: chain B residue 752 VAL Chi-restraints excluded: chain B residue 757 PHE Chi-restraints excluded: chain B residue 771 PHE Chi-restraints excluded: chain B residue 772 ASN Chi-restraints excluded: chain B residue 829 TYR Chi-restraints excluded: chain B residue 839 LEU Chi-restraints excluded: chain B residue 840 VAL Chi-restraints excluded: chain B residue 867 LEU Chi-restraints excluded: chain B residue 869 ARG Chi-restraints excluded: chain B residue 881 LEU Chi-restraints excluded: chain B residue 886 ARG Chi-restraints excluded: chain B residue 896 VAL Chi-restraints excluded: chain B residue 900 ASN Chi-restraints excluded: chain B residue 908 VAL Chi-restraints excluded: chain B residue 924 MET Chi-restraints excluded: chain B residue 948 ASP Chi-restraints excluded: chain B residue 961 MET Chi-restraints excluded: chain B residue 965 TYR Chi-restraints excluded: chain B residue 971 ASP Chi-restraints excluded: chain B residue 972 LEU Chi-restraints excluded: chain B residue 974 HIS Chi-restraints excluded: chain B residue 978 THR Chi-restraints excluded: chain B residue 1036 ARG Chi-restraints excluded: chain B residue 1037 ASP Chi-restraints excluded: chain B residue 1072 VAL Chi-restraints excluded: chain B residue 1081 TYR Chi-restraints excluded: chain B residue 1087 ARG Chi-restraints excluded: chain B residue 1101 ARG Chi-restraints excluded: chain B residue 1108 GLU Chi-restraints excluded: chain B residue 1127 HIS Chi-restraints excluded: chain B residue 1132 TRP Chi-restraints excluded: chain B residue 1133 HIS Chi-restraints excluded: chain B residue 1134 LEU Chi-restraints excluded: chain B residue 1139 PHE Chi-restraints excluded: chain B residue 1143 TRP Chi-restraints excluded: chain B residue 1158 ASN Chi-restraints excluded: chain B residue 1163 THR Chi-restraints excluded: chain B residue 1169 LEU Chi-restraints excluded: chain B residue 1170 MET Chi-restraints excluded: chain B residue 1172 ASP Chi-restraints excluded: chain B residue 1176 GLU Chi-restraints excluded: chain B residue 1184 ILE Chi-restraints excluded: chain B residue 1191 VAL Chi-restraints excluded: chain B residue 1201 HIS Chi-restraints excluded: chain B residue 1203 ASN Chi-restraints excluded: chain B residue 1242 LEU Chi-restraints excluded: chain B residue 1245 PHE Chi-restraints excluded: chain B residue 1248 VAL Chi-restraints excluded: chain B residue 1251 GLU Chi-restraints excluded: chain B residue 1254 HIS Chi-restraints excluded: chain B residue 1266 THR Chi-restraints excluded: chain B residue 1597 VAL Chi-restraints excluded: chain B residue 1600 LEU Chi-restraints excluded: chain B residue 1605 TRP Chi-restraints excluded: chain B residue 1613 LEU Chi-restraints excluded: chain B residue 1641 ILE Chi-restraints excluded: chain B residue 1649 ASP Chi-restraints excluded: chain B residue 1652 GLU Chi-restraints excluded: chain B residue 1657 LEU Chi-restraints excluded: chain B residue 1666 THR Chi-restraints excluded: chain B residue 1673 VAL Chi-restraints excluded: chain B residue 1679 ASN Chi-restraints excluded: chain B residue 1694 LEU Chi-restraints excluded: chain B residue 1695 LEU Chi-restraints excluded: chain B residue 1700 ASP Chi-restraints excluded: chain B residue 1703 LEU Chi-restraints excluded: chain B residue 1707 LEU Chi-restraints excluded: chain B residue 1720 LEU Chi-restraints excluded: chain B residue 1731 LEU Chi-restraints excluded: chain B residue 1738 LEU Chi-restraints excluded: chain B residue 1739 THR Chi-restraints excluded: chain B residue 1743 ARG Chi-restraints excluded: chain B residue 1770 SER Chi-restraints excluded: chain B residue 1772 ARG Chi-restraints excluded: chain B residue 1778 SER Chi-restraints excluded: chain B residue 1786 LEU Chi-restraints excluded: chain B residue 1797 ARG Chi-restraints excluded: chain B residue 1798 LEU Chi-restraints excluded: chain B residue 1810 LYS Chi-restraints excluded: chain B residue 1813 ARG Chi-restraints excluded: chain B residue 1839 VAL Chi-restraints excluded: chain B residue 1842 LEU Chi-restraints excluded: chain B residue 1848 LEU Chi-restraints excluded: chain B residue 1850 VAL Chi-restraints excluded: chain B residue 1853 ILE Chi-restraints excluded: chain B residue 1856 ASP Chi-restraints excluded: chain B residue 1857 GLU Chi-restraints excluded: chain B residue 1861 GLN Chi-restraints excluded: chain B residue 1928 GLN Chi-restraints excluded: chain B residue 1935 VAL Chi-restraints excluded: chain B residue 1937 LEU Chi-restraints excluded: chain B residue 1939 MET Chi-restraints excluded: chain B residue 1942 LEU Chi-restraints excluded: chain B residue 1943 LEU Chi-restraints excluded: chain B residue 1944 GLU Chi-restraints excluded: chain B residue 1958 LEU Chi-restraints excluded: chain B residue 1963 GLU Chi-restraints excluded: chain B residue 1966 VAL Chi-restraints excluded: chain B residue 1976 ARG Chi-restraints excluded: chain B residue 1996 ARG Chi-restraints excluded: chain B residue 1997 GLU Chi-restraints excluded: chain B residue 2030 ASP Chi-restraints excluded: chain B residue 2031 LEU Chi-restraints excluded: chain B residue 2034 PHE Chi-restraints excluded: chain B residue 2094 LEU Chi-restraints excluded: chain B residue 2095 GLN Chi-restraints excluded: chain B residue 2098 VAL Chi-restraints excluded: chain B residue 2101 MET Chi-restraints excluded: chain B residue 2103 VAL Chi-restraints excluded: chain B residue 2115 GLU Chi-restraints excluded: chain B residue 2117 VAL Chi-restraints excluded: chain B residue 2125 HIS Chi-restraints excluded: chain B residue 2138 LEU Chi-restraints excluded: chain B residue 2143 THR Chi-restraints excluded: chain B residue 2148 SER Chi-restraints excluded: chain B residue 2150 GLU Chi-restraints excluded: chain B residue 2155 LEU Chi-restraints excluded: chain B residue 2164 SER Chi-restraints excluded: chain B residue 2166 LEU Chi-restraints excluded: chain B residue 2184 ASN Chi-restraints excluded: chain B residue 2185 ILE Chi-restraints excluded: chain B residue 2186 MET Chi-restraints excluded: chain B residue 2187 ASN Chi-restraints excluded: chain B residue 2189 LYS Chi-restraints excluded: chain B residue 2193 GLN Chi-restraints excluded: chain B residue 2203 MET Chi-restraints excluded: chain B residue 2207 VAL Chi-restraints excluded: chain B residue 2228 MET Chi-restraints excluded: chain B residue 2229 VAL Chi-restraints excluded: chain B residue 2232 CYS Chi-restraints excluded: chain B residue 2246 ASN Chi-restraints excluded: chain B residue 2248 ARG Chi-restraints excluded: chain B residue 2254 LEU Chi-restraints excluded: chain B residue 2256 TYR Chi-restraints excluded: chain B residue 2258 LEU Chi-restraints excluded: chain B residue 2260 ASN Chi-restraints excluded: chain B residue 2265 LEU Chi-restraints excluded: chain B residue 2275 VAL Chi-restraints excluded: chain B residue 2279 SER Chi-restraints excluded: chain B residue 2280 VAL Chi-restraints excluded: chain B residue 2292 GLU Chi-restraints excluded: chain B residue 2298 VAL Chi-restraints excluded: chain B residue 2334 PHE Chi-restraints excluded: chain B residue 2341 VAL Chi-restraints excluded: chain B residue 2348 GLU Chi-restraints excluded: chain B residue 2349 ASN Chi-restraints excluded: chain B residue 2354 VAL Chi-restraints excluded: chain B residue 2356 LEU Chi-restraints excluded: chain B residue 2357 LEU Chi-restraints excluded: chain B residue 2358 ILE Chi-restraints excluded: chain B residue 2376 LEU Chi-restraints excluded: chain B residue 2377 LEU Chi-restraints excluded: chain B residue 2380 ILE Chi-restraints excluded: chain B residue 2418 LEU Chi-restraints excluded: chain B residue 2432 LEU Chi-restraints excluded: chain B residue 2454 ARG Chi-restraints excluded: chain B residue 2460 LEU Chi-restraints excluded: chain B residue 2463 LEU Chi-restraints excluded: chain B residue 2472 LEU Chi-restraints excluded: chain B residue 2752 ASP Chi-restraints excluded: chain B residue 2756 ASN Chi-restraints excluded: chain B residue 2762 THR Chi-restraints excluded: chain B residue 2773 ASN Chi-restraints excluded: chain B residue 2792 ARG Chi-restraints excluded: chain B residue 2796 THR Chi-restraints excluded: chain B residue 2802 LYS Chi-restraints excluded: chain B residue 2809 ILE Chi-restraints excluded: chain B residue 2811 GLU Chi-restraints excluded: chain B residue 2816 MET Chi-restraints excluded: chain B residue 2855 TYR Chi-restraints excluded: chain B residue 2856 ASN Chi-restraints excluded: chain B residue 2868 SER Chi-restraints excluded: chain B residue 2881 ASN Chi-restraints excluded: chain B residue 2885 THR Chi-restraints excluded: chain B residue 2888 ARG Chi-restraints excluded: chain B residue 2902 HIS Chi-restraints excluded: chain B residue 2905 LEU Chi-restraints excluded: chain B residue 2906 VAL Chi-restraints excluded: chain B residue 2908 TYR Chi-restraints excluded: chain B residue 2910 THR Chi-restraints excluded: chain B residue 2911 LEU Chi-restraints excluded: chain B residue 2912 THR Chi-restraints excluded: chain B residue 2915 GLU Chi-restraints excluded: chain B residue 2927 LEU Chi-restraints excluded: chain B residue 2929 PHE Chi-restraints excluded: chain B residue 2935 TYR Chi-restraints excluded: chain B residue 2938 THR Chi-restraints excluded: chain B residue 3646 THR Chi-restraints excluded: chain B residue 3651 ASN Chi-restraints excluded: chain B residue 3652 MET Chi-restraints excluded: chain B residue 3661 TRP Chi-restraints excluded: chain B residue 3665 GLU Chi-restraints excluded: chain B residue 3666 ASP Chi-restraints excluded: chain B residue 3676 ASP Chi-restraints excluded: chain B residue 3679 LYS Chi-restraints excluded: chain B residue 3697 PRO Chi-restraints excluded: chain B residue 3701 LEU Chi-restraints excluded: chain B residue 3702 VAL Chi-restraints excluded: chain B residue 3708 THR Chi-restraints excluded: chain B residue 3711 THR Chi-restraints excluded: chain B residue 3714 SER Chi-restraints excluded: chain B residue 3720 TYR Chi-restraints excluded: chain B residue 3722 TYR Chi-restraints excluded: chain B residue 3725 TYR Chi-restraints excluded: chain B residue 3727 ASP Chi-restraints excluded: chain B residue 3732 SER Chi-restraints excluded: chain B residue 3750 GLU Chi-restraints excluded: chain B residue 3753 PHE Chi-restraints excluded: chain B residue 3763 LEU Chi-restraints excluded: chain B residue 3773 ARG Chi-restraints excluded: chain B residue 3786 CYS Chi-restraints excluded: chain B residue 3787 LYS Chi-restraints excluded: chain B residue 3790 THR Chi-restraints excluded: chain B residue 3796 SER Chi-restraints excluded: chain B residue 3798 LEU Chi-restraints excluded: chain B residue 3802 ILE Chi-restraints excluded: chain B residue 3811 GLU Chi-restraints excluded: chain B residue 3816 MET Chi-restraints excluded: chain B residue 3828 PHE Chi-restraints excluded: chain B residue 3838 THR Chi-restraints excluded: chain B residue 3843 ASP Chi-restraints excluded: chain B residue 3844 LEU Chi-restraints excluded: chain B residue 3882 GLN Chi-restraints excluded: chain B residue 3883 ASP Chi-restraints excluded: chain B residue 3884 LEU Chi-restraints excluded: chain B residue 3890 LEU Chi-restraints excluded: chain B residue 3891 LEU Chi-restraints excluded: chain B residue 3895 HIS Chi-restraints excluded: chain B residue 3900 GLN Chi-restraints excluded: chain B residue 3913 ILE Chi-restraints excluded: chain B residue 3915 ILE Chi-restraints excluded: chain B residue 3916 ILE Chi-restraints excluded: chain B residue 3917 ILE Chi-restraints excluded: chain B residue 3920 VAL Chi-restraints excluded: chain B residue 3927 GLN Chi-restraints excluded: chain B residue 3929 SER Chi-restraints excluded: chain B residue 3931 SER Chi-restraints excluded: chain B residue 3937 TYR Chi-restraints excluded: chain B residue 3946 GLN Chi-restraints excluded: chain B residue 3957 VAL Chi-restraints excluded: chain B residue 3961 VAL Chi-restraints excluded: chain B residue 3964 SER Chi-restraints excluded: chain B residue 3969 ILE Chi-restraints excluded: chain B residue 3974 THR Chi-restraints excluded: chain B residue 3982 HIS Chi-restraints excluded: chain B residue 3987 ASP Chi-restraints excluded: chain B residue 3990 VAL Chi-restraints excluded: chain B residue 3993 LEU Chi-restraints excluded: chain B residue 3996 PHE Chi-restraints excluded: chain B residue 4013 LEU Chi-restraints excluded: chain B residue 4020 GLN Chi-restraints excluded: chain B residue 4022 ASP Chi-restraints excluded: chain B residue 4023 MET Chi-restraints excluded: chain B residue 4025 VAL Chi-restraints excluded: chain B residue 4029 SER Chi-restraints excluded: chain B residue 4034 ASN Chi-restraints excluded: chain B residue 4040 ILE Chi-restraints excluded: chain B residue 4045 VAL Chi-restraints excluded: chain B residue 4046 ASP Chi-restraints excluded: chain B residue 4049 VAL Chi-restraints excluded: chain B residue 4051 SER Chi-restraints excluded: chain B residue 4055 VAL Chi-restraints excluded: chain B residue 4066 LEU Chi-restraints excluded: chain B residue 4068 LEU Chi-restraints excluded: chain B residue 4070 ASP Chi-restraints excluded: chain B residue 4090 LYS Chi-restraints excluded: chain B residue 4097 MET Chi-restraints excluded: chain B residue 4102 GLN Chi-restraints excluded: chain B residue 4109 GLN Chi-restraints excluded: chain B residue 4121 GLU Chi-restraints excluded: chain B residue 4128 PHE Chi-restraints excluded: chain B residue 4133 GLN Chi-restraints excluded: chain B residue 4139 ILE Chi-restraints excluded: chain B residue 4143 VAL Chi-restraints excluded: chain B residue 4150 LEU Chi-restraints excluded: chain B residue 4151 SER Chi-restraints excluded: chain B residue 4157 ASP Chi-restraints excluded: chain B residue 4159 ARG Chi-restraints excluded: chain B residue 4162 ASN Chi-restraints excluded: chain B residue 4164 LEU Chi-restraints excluded: chain B residue 4166 LEU Chi-restraints excluded: chain B residue 4171 LEU Chi-restraints excluded: chain B residue 4175 ARG Chi-restraints excluded: chain B residue 4178 LEU Chi-restraints excluded: chain B residue 4181 ILE Chi-restraints excluded: chain B residue 4184 MET Chi-restraints excluded: chain B residue 4190 ILE Chi-restraints excluded: chain B residue 4200 THR Chi-restraints excluded: chain B residue 4209 GLN Chi-restraints excluded: chain B residue 4212 GLU Chi-restraints excluded: chain B residue 4220 ASP Chi-restraints excluded: chain B residue 4231 MET Chi-restraints excluded: chain B residue 4238 CYS Chi-restraints excluded: chain B residue 4244 GLU Chi-restraints excluded: chain B residue 4251 ILE Chi-restraints excluded: chain B residue 4252 SER Chi-restraints excluded: chain B residue 4549 VAL Chi-restraints excluded: chain B residue 4558 ASN Chi-restraints excluded: chain B residue 4565 LEU Chi-restraints excluded: chain B residue 4573 ILE Chi-restraints excluded: chain B residue 4577 LEU Chi-restraints excluded: chain B residue 4630 TYR Chi-restraints excluded: chain B residue 4631 PHE Chi-restraints excluded: chain B residue 4632 LEU Chi-restraints excluded: chain B residue 4635 SER Chi-restraints excluded: chain B residue 4640 GLU Chi-restraints excluded: chain B residue 4643 LEU Chi-restraints excluded: chain B residue 4646 LEU Chi-restraints excluded: chain B residue 4649 LEU Chi-restraints excluded: chain B residue 4651 THR Chi-restraints excluded: chain B residue 4652 LEU Chi-restraints excluded: chain B residue 4653 VAL Chi-restraints excluded: chain B residue 4656 LEU Chi-restraints excluded: chain B residue 4657 CYS Chi-restraints excluded: chain B residue 4663 CYS Chi-restraints excluded: chain B residue 4671 PHE Chi-restraints excluded: chain B residue 4677 LEU Chi-restraints excluded: chain B residue 4684 ASP Chi-restraints excluded: chain B residue 4688 ILE Chi-restraints excluded: chain B residue 4691 GLN Chi-restraints excluded: chain B residue 4701 TRP Chi-restraints excluded: chain B residue 4720 VAL Chi-restraints excluded: chain B residue 4723 LYS Chi-restraints excluded: chain B residue 4739 GLU Chi-restraints excluded: chain B residue 4740 LEU Chi-restraints excluded: chain B residue 4747 SER Chi-restraints excluded: chain B residue 4771 ILE Chi-restraints excluded: chain B residue 4774 LYS Chi-restraints excluded: chain B residue 4777 ILE Chi-restraints excluded: chain B residue 4780 PHE Chi-restraints excluded: chain B residue 4783 ILE Chi-restraints excluded: chain B residue 4786 ASP Chi-restraints excluded: chain B residue 4788 SER Chi-restraints excluded: chain B residue 4794 TRP Chi-restraints excluded: chain B residue 4797 VAL Chi-restraints excluded: chain B residue 4814 LEU Chi-restraints excluded: chain B residue 4818 MET Chi-restraints excluded: chain B residue 4822 THR Chi-restraints excluded: chain B residue 4838 VAL Chi-restraints excluded: chain B residue 4849 TYR Chi-restraints excluded: chain B residue 4852 THR Chi-restraints excluded: chain B residue 4854 VAL Chi-restraints excluded: chain B residue 4867 GLU Chi-restraints excluded: chain B residue 4870 ASP Chi-restraints excluded: chain B residue 4877 ASP Chi-restraints excluded: chain B residue 4886 HIS Chi-restraints excluded: chain B residue 4901 ILE Chi-restraints excluded: chain B residue 4904 PRO Chi-restraints excluded: chain B residue 4913 ARG Chi-restraints excluded: chain B residue 4915 VAL Chi-restraints excluded: chain B residue 4918 ILE Chi-restraints excluded: chain B residue 4919 THR Chi-restraints excluded: chain B residue 4921 PHE Chi-restraints excluded: chain B residue 4936 ILE Chi-restraints excluded: chain B residue 4945 ASP Chi-restraints excluded: chain B residue 4950 VAL Chi-restraints excluded: chain B residue 4954 MET Chi-restraints excluded: chain B residue 4960 ILE Chi-restraints excluded: chain B residue 4966 ASP Chi-restraints excluded: chain B residue 4983 HIS Chi-restraints excluded: chain B residue 4990 PHE Chi-restraints excluded: chain B residue 5004 THR Chi-restraints excluded: chain B residue 5010 VAL Chi-restraints excluded: chain B residue 5020 ASP Chi-restraints excluded: chain B residue 5027 CYS Chi-restraints excluded: chain C residue 12 GLN Chi-restraints excluded: chain C residue 14 LEU Chi-restraints excluded: chain C residue 17 ASP Chi-restraints excluded: chain C residue 18 ASP Chi-restraints excluded: chain C residue 29 LEU Chi-restraints excluded: chain C residue 40 GLU Chi-restraints excluded: chain C residue 67 PHE Chi-restraints excluded: chain C residue 70 GLU Chi-restraints excluded: chain C residue 73 LEU Chi-restraints excluded: chain C residue 75 VAL Chi-restraints excluded: chain C residue 76 ARG Chi-restraints excluded: chain C residue 100 THR Chi-restraints excluded: chain C residue 102 LEU Chi-restraints excluded: chain C residue 109 LEU Chi-restraints excluded: chain C residue 111 HIS Chi-restraints excluded: chain C residue 113 HIS Chi-restraints excluded: chain C residue 118 LEU Chi-restraints excluded: chain C residue 121 LEU Chi-restraints excluded: chain C residue 123 THR Chi-restraints excluded: chain C residue 135 VAL Chi-restraints excluded: chain C residue 144 GLU Chi-restraints excluded: chain C residue 149 THR Chi-restraints excluded: chain C residue 152 PRO Chi-restraints excluded: chain C residue 156 GLN Chi-restraints excluded: chain C residue 163 VAL Chi-restraints excluded: chain C residue 165 VAL Chi-restraints excluded: chain C residue 167 ASP Chi-restraints excluded: chain C residue 169 LEU Chi-restraints excluded: chain C residue 173 SER Chi-restraints excluded: chain C residue 179 TYR Chi-restraints excluded: chain C residue 181 HIS Chi-restraints excluded: chain C residue 205 ILE Chi-restraints excluded: chain C residue 208 CYS Chi-restraints excluded: chain C residue 210 GLU Chi-restraints excluded: chain C residue 211 GLU Chi-restraints excluded: chain C residue 222 LEU Chi-restraints excluded: chain C residue 257 ARG Chi-restraints excluded: chain C residue 262 LEU Chi-restraints excluded: chain C residue 263 GLU Chi-restraints excluded: chain C residue 270 SER Chi-restraints excluded: chain C residue 289 ARG Chi-restraints excluded: chain C residue 294 THR Chi-restraints excluded: chain C residue 299 LEU Chi-restraints excluded: chain C residue 301 VAL Chi-restraints excluded: chain C residue 302 VAL Chi-restraints excluded: chain C residue 303 ASP Chi-restraints excluded: chain C residue 313 SER Chi-restraints excluded: chain C residue 315 CYS Chi-restraints excluded: chain C residue 343 GLU Chi-restraints excluded: chain C residue 345 LEU Chi-restraints excluded: chain C residue 355 LEU Chi-restraints excluded: chain C residue 358 THR Chi-restraints excluded: chain C residue 359 TYR Chi-restraints excluded: chain C residue 372 LEU Chi-restraints excluded: chain C residue 390 LEU Chi-restraints excluded: chain C residue 394 GLN Chi-restraints excluded: chain C residue 396 GLU Chi-restraints excluded: chain C residue 397 GLU Chi-restraints excluded: chain C residue 403 MET Chi-restraints excluded: chain C residue 415 ILE Chi-restraints excluded: chain C residue 438 ILE Chi-restraints excluded: chain C residue 439 GLU Chi-restraints excluded: chain C residue 442 ILE Chi-restraints excluded: chain C residue 447 ASP Chi-restraints excluded: chain C residue 455 PRO Chi-restraints excluded: chain C residue 462 GLU Chi-restraints excluded: chain C residue 475 GLN Chi-restraints excluded: chain C residue 483 MET Chi-restraints excluded: chain C residue 485 SER Chi-restraints excluded: chain C residue 487 VAL Chi-restraints excluded: chain C residue 488 LEU Chi-restraints excluded: chain C residue 491 ILE Chi-restraints excluded: chain C residue 497 TYR Chi-restraints excluded: chain C residue 506 TYR Chi-restraints excluded: chain C residue 510 GLU Chi-restraints excluded: chain C residue 513 GLU Chi-restraints excluded: chain C residue 514 SER Chi-restraints excluded: chain C residue 517 GLU Chi-restraints excluded: chain C residue 519 VAL Chi-restraints excluded: chain C residue 522 LEU Chi-restraints excluded: chain C residue 526 LEU Chi-restraints excluded: chain C residue 533 ASN Chi-restraints excluded: chain C residue 536 ASN Chi-restraints excluded: chain C residue 539 LEU Chi-restraints excluded: chain C residue 540 PHE Chi-restraints excluded: chain C residue 541 SER Chi-restraints excluded: chain C residue 547 VAL Chi-restraints excluded: chain C residue 561 LEU Chi-restraints excluded: chain C residue 563 VAL Chi-restraints excluded: chain C residue 564 LEU Chi-restraints excluded: chain C residue 569 ILE Chi-restraints excluded: chain C residue 573 GLU Chi-restraints excluded: chain C residue 575 LEU Chi-restraints excluded: chain C residue 582 HIS Chi-restraints excluded: chain C residue 586 ILE Chi-restraints excluded: chain C residue 590 LEU Chi-restraints excluded: chain C residue 591 ASP Chi-restraints excluded: chain C residue 599 VAL Chi-restraints excluded: chain C residue 609 CYS Chi-restraints excluded: chain C residue 625 LEU Chi-restraints excluded: chain C residue 631 LEU Chi-restraints excluded: chain C residue 635 THR Chi-restraints excluded: chain C residue 638 ILE Chi-restraints excluded: chain C residue 641 VAL Chi-restraints excluded: chain C residue 642 THR Chi-restraints excluded: chain C residue 665 GLU Chi-restraints excluded: chain C residue 669 ASP Chi-restraints excluded: chain C residue 680 THR Chi-restraints excluded: chain C residue 681 HIS Chi-restraints excluded: chain C residue 695 TYR Chi-restraints excluded: chain C residue 702 TRP Chi-restraints excluded: chain C residue 709 ASP Chi-restraints excluded: chain C residue 712 TYR Chi-restraints excluded: chain C residue 737 LEU Chi-restraints excluded: chain C residue 751 SER Chi-restraints excluded: chain C residue 752 VAL Chi-restraints excluded: chain C residue 757 PHE Chi-restraints excluded: chain C residue 771 PHE Chi-restraints excluded: chain C residue 829 TYR Chi-restraints excluded: chain C residue 839 LEU Chi-restraints excluded: chain C residue 840 VAL Chi-restraints excluded: chain C residue 867 LEU Chi-restraints excluded: chain C residue 869 ARG Chi-restraints excluded: chain C residue 881 LEU Chi-restraints excluded: chain C residue 886 ARG Chi-restraints excluded: chain C residue 896 VAL Chi-restraints excluded: chain C residue 900 ASN Chi-restraints excluded: chain C residue 908 VAL Chi-restraints excluded: chain C residue 924 MET Chi-restraints excluded: chain C residue 948 ASP Chi-restraints excluded: chain C residue 961 MET Chi-restraints excluded: chain C residue 965 TYR Chi-restraints excluded: chain C residue 971 ASP Chi-restraints excluded: chain C residue 972 LEU Chi-restraints excluded: chain C residue 974 HIS Chi-restraints excluded: chain C residue 978 THR Chi-restraints excluded: chain C residue 1036 ARG Chi-restraints excluded: chain C residue 1037 ASP Chi-restraints excluded: chain C residue 1072 VAL Chi-restraints excluded: chain C residue 1081 TYR Chi-restraints excluded: chain C residue 1087 ARG Chi-restraints excluded: chain C residue 1101 ARG Chi-restraints excluded: chain C residue 1108 GLU Chi-restraints excluded: chain C residue 1127 HIS Chi-restraints excluded: chain C residue 1132 TRP Chi-restraints excluded: chain C residue 1133 HIS Chi-restraints excluded: chain C residue 1134 LEU Chi-restraints excluded: chain C residue 1139 PHE Chi-restraints excluded: chain C residue 1143 TRP Chi-restraints excluded: chain C residue 1158 ASN Chi-restraints excluded: chain C residue 1163 THR Chi-restraints excluded: chain C residue 1169 LEU Chi-restraints excluded: chain C residue 1170 MET Chi-restraints excluded: chain C residue 1172 ASP Chi-restraints excluded: chain C residue 1176 GLU Chi-restraints excluded: chain C residue 1184 ILE Chi-restraints excluded: chain C residue 1191 VAL Chi-restraints excluded: chain C residue 1201 HIS Chi-restraints excluded: chain C residue 1203 ASN Chi-restraints excluded: chain C residue 1204 LEU Chi-restraints excluded: chain C residue 1242 LEU Chi-restraints excluded: chain C residue 1245 PHE Chi-restraints excluded: chain C residue 1248 VAL Chi-restraints excluded: chain C residue 1251 GLU Chi-restraints excluded: chain C residue 1254 HIS Chi-restraints excluded: chain C residue 1266 THR Chi-restraints excluded: chain C residue 1597 VAL Chi-restraints excluded: chain C residue 1600 LEU Chi-restraints excluded: chain C residue 1605 TRP Chi-restraints excluded: chain C residue 1613 LEU Chi-restraints excluded: chain C residue 1641 ILE Chi-restraints excluded: chain C residue 1649 ASP Chi-restraints excluded: chain C residue 1652 GLU Chi-restraints excluded: chain C residue 1657 LEU Chi-restraints excluded: chain C residue 1666 THR Chi-restraints excluded: chain C residue 1673 VAL Chi-restraints excluded: chain C residue 1679 ASN Chi-restraints excluded: chain C residue 1694 LEU Chi-restraints excluded: chain C residue 1695 LEU Chi-restraints excluded: chain C residue 1700 ASP Chi-restraints excluded: chain C residue 1703 LEU Chi-restraints excluded: chain C residue 1707 LEU Chi-restraints excluded: chain C residue 1713 ASP Chi-restraints excluded: chain C residue 1720 LEU Chi-restraints excluded: chain C residue 1731 LEU Chi-restraints excluded: chain C residue 1738 LEU Chi-restraints excluded: chain C residue 1739 THR Chi-restraints excluded: chain C residue 1743 ARG Chi-restraints excluded: chain C residue 1770 SER Chi-restraints excluded: chain C residue 1772 ARG Chi-restraints excluded: chain C residue 1778 SER Chi-restraints excluded: chain C residue 1786 LEU Chi-restraints excluded: chain C residue 1797 ARG Chi-restraints excluded: chain C residue 1798 LEU Chi-restraints excluded: chain C residue 1810 LYS Chi-restraints excluded: chain C residue 1813 ARG Chi-restraints excluded: chain C residue 1839 VAL Chi-restraints excluded: chain C residue 1842 LEU Chi-restraints excluded: chain C residue 1848 LEU Chi-restraints excluded: chain C residue 1850 VAL Chi-restraints excluded: chain C residue 1853 ILE Chi-restraints excluded: chain C residue 1856 ASP Chi-restraints excluded: chain C residue 1857 GLU Chi-restraints excluded: chain C residue 1928 GLN Chi-restraints excluded: chain C residue 1935 VAL Chi-restraints excluded: chain C residue 1937 LEU Chi-restraints excluded: chain C residue 1939 MET Chi-restraints excluded: chain C residue 1942 LEU Chi-restraints excluded: chain C residue 1943 LEU Chi-restraints excluded: chain C residue 1944 GLU Chi-restraints excluded: chain C residue 1958 LEU Chi-restraints excluded: chain C residue 1963 GLU Chi-restraints excluded: chain C residue 1966 VAL Chi-restraints excluded: chain C residue 1976 ARG Chi-restraints excluded: chain C residue 1996 ARG Chi-restraints excluded: chain C residue 1997 GLU Chi-restraints excluded: chain C residue 2030 ASP Chi-restraints excluded: chain C residue 2031 LEU Chi-restraints excluded: chain C residue 2034 PHE Chi-restraints excluded: chain C residue 2094 LEU Chi-restraints excluded: chain C residue 2095 GLN Chi-restraints excluded: chain C residue 2098 VAL Chi-restraints excluded: chain C residue 2101 MET Chi-restraints excluded: chain C residue 2103 VAL Chi-restraints excluded: chain C residue 2115 GLU Chi-restraints excluded: chain C residue 2117 VAL Chi-restraints excluded: chain C residue 2125 HIS Chi-restraints excluded: chain C residue 2138 LEU Chi-restraints excluded: chain C residue 2143 THR Chi-restraints excluded: chain C residue 2148 SER Chi-restraints excluded: chain C residue 2150 GLU Chi-restraints excluded: chain C residue 2155 LEU Chi-restraints excluded: chain C residue 2164 SER Chi-restraints excluded: chain C residue 2166 LEU Chi-restraints excluded: chain C residue 2180 GLN Chi-restraints excluded: chain C residue 2184 ASN Chi-restraints excluded: chain C residue 2185 ILE Chi-restraints excluded: chain C residue 2186 MET Chi-restraints excluded: chain C residue 2187 ASN Chi-restraints excluded: chain C residue 2189 LYS Chi-restraints excluded: chain C residue 2193 GLN Chi-restraints excluded: chain C residue 2207 VAL Chi-restraints excluded: chain C residue 2228 MET Chi-restraints excluded: chain C residue 2229 VAL Chi-restraints excluded: chain C residue 2232 CYS Chi-restraints excluded: chain C residue 2246 ASN Chi-restraints excluded: chain C residue 2248 ARG Chi-restraints excluded: chain C residue 2251 PHE Chi-restraints excluded: chain C residue 2254 LEU Chi-restraints excluded: chain C residue 2256 TYR Chi-restraints excluded: chain C residue 2258 LEU Chi-restraints excluded: chain C residue 2260 ASN Chi-restraints excluded: chain C residue 2265 LEU Chi-restraints excluded: chain C residue 2275 VAL Chi-restraints excluded: chain C residue 2279 SER Chi-restraints excluded: chain C residue 2280 VAL Chi-restraints excluded: chain C residue 2292 GLU Chi-restraints excluded: chain C residue 2298 VAL Chi-restraints excluded: chain C residue 2334 PHE Chi-restraints excluded: chain C residue 2341 VAL Chi-restraints excluded: chain C residue 2348 GLU Chi-restraints excluded: chain C residue 2349 ASN Chi-restraints excluded: chain C residue 2354 VAL Chi-restraints excluded: chain C residue 2356 LEU Chi-restraints excluded: chain C residue 2357 LEU Chi-restraints excluded: chain C residue 2358 ILE Chi-restraints excluded: chain C residue 2376 LEU Chi-restraints excluded: chain C residue 2377 LEU Chi-restraints excluded: chain C residue 2380 ILE Chi-restraints excluded: chain C residue 2418 LEU Chi-restraints excluded: chain C residue 2432 LEU Chi-restraints excluded: chain C residue 2454 ARG Chi-restraints excluded: chain C residue 2460 LEU Chi-restraints excluded: chain C residue 2463 LEU Chi-restraints excluded: chain C residue 2472 LEU Chi-restraints excluded: chain C residue 2752 ASP Chi-restraints excluded: chain C residue 2756 ASN Chi-restraints excluded: chain C residue 2762 THR Chi-restraints excluded: chain C residue 2773 ASN Chi-restraints excluded: chain C residue 2792 ARG Chi-restraints excluded: chain C residue 2796 THR Chi-restraints excluded: chain C residue 2802 LYS Chi-restraints excluded: chain C residue 2809 ILE Chi-restraints excluded: chain C residue 2811 GLU Chi-restraints excluded: chain C residue 2816 MET Chi-restraints excluded: chain C residue 2855 TYR Chi-restraints excluded: chain C residue 2856 ASN Chi-restraints excluded: chain C residue 2858 GLN Chi-restraints excluded: chain C residue 2868 SER Chi-restraints excluded: chain C residue 2881 ASN Chi-restraints excluded: chain C residue 2885 THR Chi-restraints excluded: chain C residue 2888 ARG Chi-restraints excluded: chain C residue 2902 HIS Chi-restraints excluded: chain C residue 2905 LEU Chi-restraints excluded: chain C residue 2906 VAL Chi-restraints excluded: chain C residue 2908 TYR Chi-restraints excluded: chain C residue 2910 THR Chi-restraints excluded: chain C residue 2911 LEU Chi-restraints excluded: chain C residue 2912 THR Chi-restraints excluded: chain C residue 2915 GLU Chi-restraints excluded: chain C residue 2927 LEU Chi-restraints excluded: chain C residue 2929 PHE Chi-restraints excluded: chain C residue 2935 TYR Chi-restraints excluded: chain C residue 2938 THR Chi-restraints excluded: chain C residue 3646 THR Chi-restraints excluded: chain C residue 3651 ASN Chi-restraints excluded: chain C residue 3652 MET Chi-restraints excluded: chain C residue 3661 TRP Chi-restraints excluded: chain C residue 3665 GLU Chi-restraints excluded: chain C residue 3666 ASP Chi-restraints excluded: chain C residue 3676 ASP Chi-restraints excluded: chain C residue 3679 LYS Chi-restraints excluded: chain C residue 3697 PRO Chi-restraints excluded: chain C residue 3701 LEU Chi-restraints excluded: chain C residue 3702 VAL Chi-restraints excluded: chain C residue 3708 THR Chi-restraints excluded: chain C residue 3711 THR Chi-restraints excluded: chain C residue 3714 SER Chi-restraints excluded: chain C residue 3720 TYR Chi-restraints excluded: chain C residue 3722 TYR Chi-restraints excluded: chain C residue 3725 TYR Chi-restraints excluded: chain C residue 3727 ASP Chi-restraints excluded: chain C residue 3732 SER Chi-restraints excluded: chain C residue 3753 PHE Chi-restraints excluded: chain C residue 3763 LEU Chi-restraints excluded: chain C residue 3773 ARG Chi-restraints excluded: chain C residue 3786 CYS Chi-restraints excluded: chain C residue 3787 LYS Chi-restraints excluded: chain C residue 3790 THR Chi-restraints excluded: chain C residue 3796 SER Chi-restraints excluded: chain C residue 3798 LEU Chi-restraints excluded: chain C residue 3802 ILE Chi-restraints excluded: chain C residue 3811 GLU Chi-restraints excluded: chain C residue 3812 VAL Chi-restraints excluded: chain C residue 3816 MET Chi-restraints excluded: chain C residue 3828 PHE Chi-restraints excluded: chain C residue 3838 THR Chi-restraints excluded: chain C residue 3843 ASP Chi-restraints excluded: chain C residue 3844 LEU Chi-restraints excluded: chain C residue 3882 GLN Chi-restraints excluded: chain C residue 3883 ASP Chi-restraints excluded: chain C residue 3884 LEU Chi-restraints excluded: chain C residue 3890 LEU Chi-restraints excluded: chain C residue 3891 LEU Chi-restraints excluded: chain C residue 3895 HIS Chi-restraints excluded: chain C residue 3900 GLN Chi-restraints excluded: chain C residue 3913 ILE Chi-restraints excluded: chain C residue 3915 ILE Chi-restraints excluded: chain C residue 3916 ILE Chi-restraints excluded: chain C residue 3917 ILE Chi-restraints excluded: chain C residue 3920 VAL Chi-restraints excluded: chain C residue 3924 LEU Chi-restraints excluded: chain C residue 3927 GLN Chi-restraints excluded: chain C residue 3928 GLU Chi-restraints excluded: chain C residue 3929 SER Chi-restraints excluded: chain C residue 3931 SER Chi-restraints excluded: chain C residue 3937 TYR Chi-restraints excluded: chain C residue 3946 GLN Chi-restraints excluded: chain C residue 3957 VAL Chi-restraints excluded: chain C residue 3961 VAL Chi-restraints excluded: chain C residue 3964 SER Chi-restraints excluded: chain C residue 3969 ILE Chi-restraints excluded: chain C residue 3974 THR Chi-restraints excluded: chain C residue 3982 HIS Chi-restraints excluded: chain C residue 3987 ASP Chi-restraints excluded: chain C residue 3990 VAL Chi-restraints excluded: chain C residue 3993 LEU Chi-restraints excluded: chain C residue 3996 PHE Chi-restraints excluded: chain C residue 4013 LEU Chi-restraints excluded: chain C residue 4020 GLN Chi-restraints excluded: chain C residue 4022 ASP Chi-restraints excluded: chain C residue 4023 MET Chi-restraints excluded: chain C residue 4025 VAL Chi-restraints excluded: chain C residue 4029 SER Chi-restraints excluded: chain C residue 4034 ASN Chi-restraints excluded: chain C residue 4040 ILE Chi-restraints excluded: chain C residue 4045 VAL Chi-restraints excluded: chain C residue 4046 ASP Chi-restraints excluded: chain C residue 4049 VAL Chi-restraints excluded: chain C residue 4051 SER Chi-restraints excluded: chain C residue 4055 VAL Chi-restraints excluded: chain C residue 4066 LEU Chi-restraints excluded: chain C residue 4068 LEU Chi-restraints excluded: chain C residue 4070 ASP Chi-restraints excluded: chain C residue 4090 LYS Chi-restraints excluded: chain C residue 4097 MET Chi-restraints excluded: chain C residue 4102 GLN Chi-restraints excluded: chain C residue 4109 GLN Chi-restraints excluded: chain C residue 4121 GLU Chi-restraints excluded: chain C residue 4128 PHE Chi-restraints excluded: chain C residue 4139 ILE Chi-restraints excluded: chain C residue 4143 VAL Chi-restraints excluded: chain C residue 4150 LEU Chi-restraints excluded: chain C residue 4151 SER Chi-restraints excluded: chain C residue 4157 ASP Chi-restraints excluded: chain C residue 4159 ARG Chi-restraints excluded: chain C residue 4162 ASN Chi-restraints excluded: chain C residue 4164 LEU Chi-restraints excluded: chain C residue 4166 LEU Chi-restraints excluded: chain C residue 4171 LEU Chi-restraints excluded: chain C residue 4175 ARG Chi-restraints excluded: chain C residue 4178 LEU Chi-restraints excluded: chain C residue 4181 ILE Chi-restraints excluded: chain C residue 4184 MET Chi-restraints excluded: chain C residue 4190 ILE Chi-restraints excluded: chain C residue 4200 THR Chi-restraints excluded: chain C residue 4212 GLU Chi-restraints excluded: chain C residue 4220 ASP Chi-restraints excluded: chain C residue 4231 MET Chi-restraints excluded: chain C residue 4238 CYS Chi-restraints excluded: chain C residue 4244 GLU Chi-restraints excluded: chain C residue 4251 ILE Chi-restraints excluded: chain C residue 4252 SER Chi-restraints excluded: chain C residue 4549 VAL Chi-restraints excluded: chain C residue 4558 ASN Chi-restraints excluded: chain C residue 4565 LEU Chi-restraints excluded: chain C residue 4573 ILE Chi-restraints excluded: chain C residue 4577 LEU Chi-restraints excluded: chain C residue 4630 TYR Chi-restraints excluded: chain C residue 4631 PHE Chi-restraints excluded: chain C residue 4632 LEU Chi-restraints excluded: chain C residue 4635 SER Chi-restraints excluded: chain C residue 4640 GLU Chi-restraints excluded: chain C residue 4643 LEU Chi-restraints excluded: chain C residue 4646 LEU Chi-restraints excluded: chain C residue 4649 LEU Chi-restraints excluded: chain C residue 4651 THR Chi-restraints excluded: chain C residue 4652 LEU Chi-restraints excluded: chain C residue 4653 VAL Chi-restraints excluded: chain C residue 4656 LEU Chi-restraints excluded: chain C residue 4657 CYS Chi-restraints excluded: chain C residue 4663 CYS Chi-restraints excluded: chain C residue 4671 PHE Chi-restraints excluded: chain C residue 4677 LEU Chi-restraints excluded: chain C residue 4684 ASP Chi-restraints excluded: chain C residue 4688 ILE Chi-restraints excluded: chain C residue 4691 GLN Chi-restraints excluded: chain C residue 4701 TRP Chi-restraints excluded: chain C residue 4720 VAL Chi-restraints excluded: chain C residue 4723 LYS Chi-restraints excluded: chain C residue 4740 LEU Chi-restraints excluded: chain C residue 4743 MET Chi-restraints excluded: chain C residue 4747 SER Chi-restraints excluded: chain C residue 4771 ILE Chi-restraints excluded: chain C residue 4774 LYS Chi-restraints excluded: chain C residue 4780 PHE Chi-restraints excluded: chain C residue 4783 ILE Chi-restraints excluded: chain C residue 4786 ASP Chi-restraints excluded: chain C residue 4788 SER Chi-restraints excluded: chain C residue 4794 TRP Chi-restraints excluded: chain C residue 4797 VAL Chi-restraints excluded: chain C residue 4814 LEU Chi-restraints excluded: chain C residue 4818 MET Chi-restraints excluded: chain C residue 4822 THR Chi-restraints excluded: chain C residue 4838 VAL Chi-restraints excluded: chain C residue 4849 TYR Chi-restraints excluded: chain C residue 4852 THR Chi-restraints excluded: chain C residue 4854 VAL Chi-restraints excluded: chain C residue 4867 GLU Chi-restraints excluded: chain C residue 4870 ASP Chi-restraints excluded: chain C residue 4877 ASP Chi-restraints excluded: chain C residue 4886 HIS Chi-restraints excluded: chain C residue 4901 ILE Chi-restraints excluded: chain C residue 4904 PRO Chi-restraints excluded: chain C residue 4913 ARG Chi-restraints excluded: chain C residue 4915 VAL Chi-restraints excluded: chain C residue 4918 ILE Chi-restraints excluded: chain C residue 4919 THR Chi-restraints excluded: chain C residue 4921 PHE Chi-restraints excluded: chain C residue 4936 ILE Chi-restraints excluded: chain C residue 4945 ASP Chi-restraints excluded: chain C residue 4950 VAL Chi-restraints excluded: chain C residue 4960 ILE Chi-restraints excluded: chain C residue 4966 ASP Chi-restraints excluded: chain C residue 4983 HIS Chi-restraints excluded: chain C residue 4985 LEU Chi-restraints excluded: chain C residue 4990 PHE Chi-restraints excluded: chain C residue 4994 TYR Chi-restraints excluded: chain C residue 4999 ASP Chi-restraints excluded: chain C residue 5010 VAL Chi-restraints excluded: chain C residue 5020 ASP Chi-restraints excluded: chain C residue 5027 CYS Chi-restraints excluded: chain D residue 12 GLN Chi-restraints excluded: chain D residue 14 LEU Chi-restraints excluded: chain D residue 17 ASP Chi-restraints excluded: chain D residue 18 ASP Chi-restraints excluded: chain D residue 29 LEU Chi-restraints excluded: chain D residue 40 GLU Chi-restraints excluded: chain D residue 67 PHE Chi-restraints excluded: chain D residue 70 GLU Chi-restraints excluded: chain D residue 73 LEU Chi-restraints excluded: chain D residue 75 VAL Chi-restraints excluded: chain D residue 76 ARG Chi-restraints excluded: chain D residue 100 THR Chi-restraints excluded: chain D residue 102 LEU Chi-restraints excluded: chain D residue 109 LEU Chi-restraints excluded: chain D residue 111 HIS Chi-restraints excluded: chain D residue 113 HIS Chi-restraints excluded: chain D residue 118 LEU Chi-restraints excluded: chain D residue 121 LEU Chi-restraints excluded: chain D residue 123 THR Chi-restraints excluded: chain D residue 134 ASP Chi-restraints excluded: chain D residue 135 VAL Chi-restraints excluded: chain D residue 144 GLU Chi-restraints excluded: chain D residue 149 THR Chi-restraints excluded: chain D residue 152 PRO Chi-restraints excluded: chain D residue 156 GLN Chi-restraints excluded: chain D residue 163 VAL Chi-restraints excluded: chain D residue 165 VAL Chi-restraints excluded: chain D residue 167 ASP Chi-restraints excluded: chain D residue 169 LEU Chi-restraints excluded: chain D residue 173 SER Chi-restraints excluded: chain D residue 179 TYR Chi-restraints excluded: chain D residue 181 HIS Chi-restraints excluded: chain D residue 205 ILE Chi-restraints excluded: chain D residue 208 CYS Chi-restraints excluded: chain D residue 210 GLU Chi-restraints excluded: chain D residue 211 GLU Chi-restraints excluded: chain D residue 222 LEU Chi-restraints excluded: chain D residue 257 ARG Chi-restraints excluded: chain D residue 262 LEU Chi-restraints excluded: chain D residue 263 GLU Chi-restraints excluded: chain D residue 270 SER Chi-restraints excluded: chain D residue 289 ARG Chi-restraints excluded: chain D residue 294 THR Chi-restraints excluded: chain D residue 299 LEU Chi-restraints excluded: chain D residue 301 VAL Chi-restraints excluded: chain D residue 302 VAL Chi-restraints excluded: chain D residue 303 ASP Chi-restraints excluded: chain D residue 313 SER Chi-restraints excluded: chain D residue 315 CYS Chi-restraints excluded: chain D residue 343 GLU Chi-restraints excluded: chain D residue 345 LEU Chi-restraints excluded: chain D residue 355 LEU Chi-restraints excluded: chain D residue 358 THR Chi-restraints excluded: chain D residue 359 TYR Chi-restraints excluded: chain D residue 372 LEU Chi-restraints excluded: chain D residue 390 LEU Chi-restraints excluded: chain D residue 394 GLN Chi-restraints excluded: chain D residue 396 GLU Chi-restraints excluded: chain D residue 397 GLU Chi-restraints excluded: chain D residue 403 MET Chi-restraints excluded: chain D residue 415 ILE Chi-restraints excluded: chain D residue 438 ILE Chi-restraints excluded: chain D residue 439 GLU Chi-restraints excluded: chain D residue 442 ILE Chi-restraints excluded: chain D residue 447 ASP Chi-restraints excluded: chain D residue 455 PRO Chi-restraints excluded: chain D residue 461 HIS Chi-restraints excluded: chain D residue 462 GLU Chi-restraints excluded: chain D residue 463 GLU Chi-restraints excluded: chain D residue 475 GLN Chi-restraints excluded: chain D residue 483 MET Chi-restraints excluded: chain D residue 485 SER Chi-restraints excluded: chain D residue 487 VAL Chi-restraints excluded: chain D residue 488 LEU Chi-restraints excluded: chain D residue 491 ILE Chi-restraints excluded: chain D residue 497 TYR Chi-restraints excluded: chain D residue 506 TYR Chi-restraints excluded: chain D residue 510 GLU Chi-restraints excluded: chain D residue 513 GLU Chi-restraints excluded: chain D residue 514 SER Chi-restraints excluded: chain D residue 517 GLU Chi-restraints excluded: chain D residue 519 VAL Chi-restraints excluded: chain D residue 522 LEU Chi-restraints excluded: chain D residue 526 LEU Chi-restraints excluded: chain D residue 533 ASN Chi-restraints excluded: chain D residue 536 ASN Chi-restraints excluded: chain D residue 539 LEU Chi-restraints excluded: chain D residue 540 PHE Chi-restraints excluded: chain D residue 541 SER Chi-restraints excluded: chain D residue 547 VAL Chi-restraints excluded: chain D residue 561 LEU Chi-restraints excluded: chain D residue 563 VAL Chi-restraints excluded: chain D residue 564 LEU Chi-restraints excluded: chain D residue 569 ILE Chi-restraints excluded: chain D residue 573 GLU Chi-restraints excluded: chain D residue 575 LEU Chi-restraints excluded: chain D residue 582 HIS Chi-restraints excluded: chain D residue 586 ILE Chi-restraints excluded: chain D residue 590 LEU Chi-restraints excluded: chain D residue 591 ASP Chi-restraints excluded: chain D residue 599 VAL Chi-restraints excluded: chain D residue 609 CYS Chi-restraints excluded: chain D residue 625 LEU Chi-restraints excluded: chain D residue 631 LEU Chi-restraints excluded: chain D residue 635 THR Chi-restraints excluded: chain D residue 638 ILE Chi-restraints excluded: chain D residue 641 VAL Chi-restraints excluded: chain D residue 642 THR Chi-restraints excluded: chain D residue 665 GLU Chi-restraints excluded: chain D residue 669 ASP Chi-restraints excluded: chain D residue 680 THR Chi-restraints excluded: chain D residue 681 HIS Chi-restraints excluded: chain D residue 695 TYR Chi-restraints excluded: chain D residue 702 TRP Chi-restraints excluded: chain D residue 709 ASP Chi-restraints excluded: chain D residue 737 LEU Chi-restraints excluded: chain D residue 751 SER Chi-restraints excluded: chain D residue 752 VAL Chi-restraints excluded: chain D residue 757 PHE Chi-restraints excluded: chain D residue 771 PHE Chi-restraints excluded: chain D residue 829 TYR Chi-restraints excluded: chain D residue 839 LEU Chi-restraints excluded: chain D residue 840 VAL Chi-restraints excluded: chain D residue 867 LEU Chi-restraints excluded: chain D residue 869 ARG Chi-restraints excluded: chain D residue 881 LEU Chi-restraints excluded: chain D residue 886 ARG Chi-restraints excluded: chain D residue 896 VAL Chi-restraints excluded: chain D residue 900 ASN Chi-restraints excluded: chain D residue 908 VAL Chi-restraints excluded: chain D residue 924 MET Chi-restraints excluded: chain D residue 948 ASP Chi-restraints excluded: chain D residue 961 MET Chi-restraints excluded: chain D residue 965 TYR Chi-restraints excluded: chain D residue 971 ASP Chi-restraints excluded: chain D residue 972 LEU Chi-restraints excluded: chain D residue 974 HIS Chi-restraints excluded: chain D residue 978 THR Chi-restraints excluded: chain D residue 1036 ARG Chi-restraints excluded: chain D residue 1037 ASP Chi-restraints excluded: chain D residue 1054 GLU Chi-restraints excluded: chain D residue 1072 VAL Chi-restraints excluded: chain D residue 1076 ARG Chi-restraints excluded: chain D residue 1081 TYR Chi-restraints excluded: chain D residue 1087 ARG Chi-restraints excluded: chain D residue 1101 ARG Chi-restraints excluded: chain D residue 1108 GLU Chi-restraints excluded: chain D residue 1127 HIS Chi-restraints excluded: chain D residue 1132 TRP Chi-restraints excluded: chain D residue 1133 HIS Chi-restraints excluded: chain D residue 1134 LEU Chi-restraints excluded: chain D residue 1139 PHE Chi-restraints excluded: chain D residue 1143 TRP Chi-restraints excluded: chain D residue 1158 ASN Chi-restraints excluded: chain D residue 1163 THR Chi-restraints excluded: chain D residue 1169 LEU Chi-restraints excluded: chain D residue 1170 MET Chi-restraints excluded: chain D residue 1172 ASP Chi-restraints excluded: chain D residue 1176 GLU Chi-restraints excluded: chain D residue 1184 ILE Chi-restraints excluded: chain D residue 1191 VAL Chi-restraints excluded: chain D residue 1201 HIS Chi-restraints excluded: chain D residue 1203 ASN Chi-restraints excluded: chain D residue 1242 LEU Chi-restraints excluded: chain D residue 1245 PHE Chi-restraints excluded: chain D residue 1248 VAL Chi-restraints excluded: chain D residue 1251 GLU Chi-restraints excluded: chain D residue 1254 HIS Chi-restraints excluded: chain D residue 1266 THR Chi-restraints excluded: chain D residue 1597 VAL Chi-restraints excluded: chain D residue 1600 LEU Chi-restraints excluded: chain D residue 1605 TRP Chi-restraints excluded: chain D residue 1613 LEU Chi-restraints excluded: chain D residue 1641 ILE Chi-restraints excluded: chain D residue 1649 ASP Chi-restraints excluded: chain D residue 1652 GLU Chi-restraints excluded: chain D residue 1657 LEU Chi-restraints excluded: chain D residue 1666 THR Chi-restraints excluded: chain D residue 1673 VAL Chi-restraints excluded: chain D residue 1679 ASN Chi-restraints excluded: chain D residue 1694 LEU Chi-restraints excluded: chain D residue 1695 LEU Chi-restraints excluded: chain D residue 1700 ASP Chi-restraints excluded: chain D residue 1703 LEU Chi-restraints excluded: chain D residue 1707 LEU Chi-restraints excluded: chain D residue 1713 ASP Chi-restraints excluded: chain D residue 1720 LEU Chi-restraints excluded: chain D residue 1731 LEU Chi-restraints excluded: chain D residue 1738 LEU Chi-restraints excluded: chain D residue 1739 THR Chi-restraints excluded: chain D residue 1743 ARG Chi-restraints excluded: chain D residue 1770 SER Chi-restraints excluded: chain D residue 1772 ARG Chi-restraints excluded: chain D residue 1778 SER Chi-restraints excluded: chain D residue 1786 LEU Chi-restraints excluded: chain D residue 1797 ARG Chi-restraints excluded: chain D residue 1798 LEU Chi-restraints excluded: chain D residue 1810 LYS Chi-restraints excluded: chain D residue 1813 ARG Chi-restraints excluded: chain D residue 1839 VAL Chi-restraints excluded: chain D residue 1842 LEU Chi-restraints excluded: chain D residue 1848 LEU Chi-restraints excluded: chain D residue 1850 VAL Chi-restraints excluded: chain D residue 1853 ILE Chi-restraints excluded: chain D residue 1856 ASP Chi-restraints excluded: chain D residue 1857 GLU Chi-restraints excluded: chain D residue 1928 GLN Chi-restraints excluded: chain D residue 1937 LEU Chi-restraints excluded: chain D residue 1939 MET Chi-restraints excluded: chain D residue 1942 LEU Chi-restraints excluded: chain D residue 1943 LEU Chi-restraints excluded: chain D residue 1944 GLU Chi-restraints excluded: chain D residue 1958 LEU Chi-restraints excluded: chain D residue 1963 GLU Chi-restraints excluded: chain D residue 1966 VAL Chi-restraints excluded: chain D residue 1976 ARG Chi-restraints excluded: chain D residue 1996 ARG Chi-restraints excluded: chain D residue 1997 GLU Chi-restraints excluded: chain D residue 2030 ASP Chi-restraints excluded: chain D residue 2031 LEU Chi-restraints excluded: chain D residue 2034 PHE Chi-restraints excluded: chain D residue 2094 LEU Chi-restraints excluded: chain D residue 2095 GLN Chi-restraints excluded: chain D residue 2098 VAL Chi-restraints excluded: chain D residue 2101 MET Chi-restraints excluded: chain D residue 2103 VAL Chi-restraints excluded: chain D residue 2115 GLU Chi-restraints excluded: chain D residue 2117 VAL Chi-restraints excluded: chain D residue 2125 HIS Chi-restraints excluded: chain D residue 2138 LEU Chi-restraints excluded: chain D residue 2143 THR Chi-restraints excluded: chain D residue 2148 SER Chi-restraints excluded: chain D residue 2150 GLU Chi-restraints excluded: chain D residue 2155 LEU Chi-restraints excluded: chain D residue 2164 SER Chi-restraints excluded: chain D residue 2166 LEU Chi-restraints excluded: chain D residue 2180 GLN Chi-restraints excluded: chain D residue 2184 ASN Chi-restraints excluded: chain D residue 2185 ILE Chi-restraints excluded: chain D residue 2186 MET Chi-restraints excluded: chain D residue 2187 ASN Chi-restraints excluded: chain D residue 2189 LYS Chi-restraints excluded: chain D residue 2193 GLN Chi-restraints excluded: chain D residue 2207 VAL Chi-restraints excluded: chain D residue 2228 MET Chi-restraints excluded: chain D residue 2229 VAL Chi-restraints excluded: chain D residue 2232 CYS Chi-restraints excluded: chain D residue 2246 ASN Chi-restraints excluded: chain D residue 2248 ARG Chi-restraints excluded: chain D residue 2251 PHE Chi-restraints excluded: chain D residue 2254 LEU Chi-restraints excluded: chain D residue 2256 TYR Chi-restraints excluded: chain D residue 2258 LEU Chi-restraints excluded: chain D residue 2260 ASN Chi-restraints excluded: chain D residue 2265 LEU Chi-restraints excluded: chain D residue 2275 VAL Chi-restraints excluded: chain D residue 2279 SER Chi-restraints excluded: chain D residue 2280 VAL Chi-restraints excluded: chain D residue 2292 GLU Chi-restraints excluded: chain D residue 2298 VAL Chi-restraints excluded: chain D residue 2334 PHE Chi-restraints excluded: chain D residue 2347 GLU Chi-restraints excluded: chain D residue 2348 GLU Chi-restraints excluded: chain D residue 2349 ASN Chi-restraints excluded: chain D residue 2354 VAL Chi-restraints excluded: chain D residue 2356 LEU Chi-restraints excluded: chain D residue 2357 LEU Chi-restraints excluded: chain D residue 2358 ILE Chi-restraints excluded: chain D residue 2376 LEU Chi-restraints excluded: chain D residue 2377 LEU Chi-restraints excluded: chain D residue 2380 ILE Chi-restraints excluded: chain D residue 2418 LEU Chi-restraints excluded: chain D residue 2432 LEU Chi-restraints excluded: chain D residue 2454 ARG Chi-restraints excluded: chain D residue 2460 LEU Chi-restraints excluded: chain D residue 2463 LEU Chi-restraints excluded: chain D residue 2472 LEU Chi-restraints excluded: chain D residue 2752 ASP Chi-restraints excluded: chain D residue 2756 ASN Chi-restraints excluded: chain D residue 2762 THR Chi-restraints excluded: chain D residue 2773 ASN Chi-restraints excluded: chain D residue 2790 MET Chi-restraints excluded: chain D residue 2792 ARG Chi-restraints excluded: chain D residue 2802 LYS Chi-restraints excluded: chain D residue 2809 ILE Chi-restraints excluded: chain D residue 2811 GLU Chi-restraints excluded: chain D residue 2816 MET Chi-restraints excluded: chain D residue 2855 TYR Chi-restraints excluded: chain D residue 2856 ASN Chi-restraints excluded: chain D residue 2858 GLN Chi-restraints excluded: chain D residue 2868 SER Chi-restraints excluded: chain D residue 2881 ASN Chi-restraints excluded: chain D residue 2885 THR Chi-restraints excluded: chain D residue 2888 ARG Chi-restraints excluded: chain D residue 2905 LEU Chi-restraints excluded: chain D residue 2906 VAL Chi-restraints excluded: chain D residue 2908 TYR Chi-restraints excluded: chain D residue 2910 THR Chi-restraints excluded: chain D residue 2911 LEU Chi-restraints excluded: chain D residue 2912 THR Chi-restraints excluded: chain D residue 2915 GLU Chi-restraints excluded: chain D residue 2927 LEU Chi-restraints excluded: chain D residue 2929 PHE Chi-restraints excluded: chain D residue 2935 TYR Chi-restraints excluded: chain D residue 2938 THR Chi-restraints excluded: chain D residue 3646 THR Chi-restraints excluded: chain D residue 3651 ASN Chi-restraints excluded: chain D residue 3661 TRP Chi-restraints excluded: chain D residue 3665 GLU Chi-restraints excluded: chain D residue 3666 ASP Chi-restraints excluded: chain D residue 3676 ASP Chi-restraints excluded: chain D residue 3679 LYS Chi-restraints excluded: chain D residue 3697 PRO Chi-restraints excluded: chain D residue 3701 LEU Chi-restraints excluded: chain D residue 3702 VAL Chi-restraints excluded: chain D residue 3708 THR Chi-restraints excluded: chain D residue 3711 THR Chi-restraints excluded: chain D residue 3714 SER Chi-restraints excluded: chain D residue 3719 ASP Chi-restraints excluded: chain D residue 3720 TYR Chi-restraints excluded: chain D residue 3722 TYR Chi-restraints excluded: chain D residue 3725 TYR Chi-restraints excluded: chain D residue 3727 ASP Chi-restraints excluded: chain D residue 3732 SER Chi-restraints excluded: chain D residue 3753 PHE Chi-restraints excluded: chain D residue 3763 LEU Chi-restraints excluded: chain D residue 3773 ARG Chi-restraints excluded: chain D residue 3786 CYS Chi-restraints excluded: chain D residue 3787 LYS Chi-restraints excluded: chain D residue 3790 THR Chi-restraints excluded: chain D residue 3796 SER Chi-restraints excluded: chain D residue 3798 LEU Chi-restraints excluded: chain D residue 3802 ILE Chi-restraints excluded: chain D residue 3811 GLU Chi-restraints excluded: chain D residue 3812 VAL Chi-restraints excluded: chain D residue 3816 MET Chi-restraints excluded: chain D residue 3828 PHE Chi-restraints excluded: chain D residue 3838 THR Chi-restraints excluded: chain D residue 3843 ASP Chi-restraints excluded: chain D residue 3844 LEU Chi-restraints excluded: chain D residue 3882 GLN Chi-restraints excluded: chain D residue 3883 ASP Chi-restraints excluded: chain D residue 3884 LEU Chi-restraints excluded: chain D residue 3890 LEU Chi-restraints excluded: chain D residue 3891 LEU Chi-restraints excluded: chain D residue 3895 HIS Chi-restraints excluded: chain D residue 3900 GLN Chi-restraints excluded: chain D residue 3913 ILE Chi-restraints excluded: chain D residue 3915 ILE Chi-restraints excluded: chain D residue 3916 ILE Chi-restraints excluded: chain D residue 3917 ILE Chi-restraints excluded: chain D residue 3920 VAL Chi-restraints excluded: chain D residue 3927 GLN Chi-restraints excluded: chain D residue 3929 SER Chi-restraints excluded: chain D residue 3931 SER Chi-restraints excluded: chain D residue 3937 TYR Chi-restraints excluded: chain D residue 3946 GLN Chi-restraints excluded: chain D residue 3957 VAL Chi-restraints excluded: chain D residue 3961 VAL Chi-restraints excluded: chain D residue 3964 SER Chi-restraints excluded: chain D residue 3974 THR Chi-restraints excluded: chain D residue 3982 HIS Chi-restraints excluded: chain D residue 3986 TRP Chi-restraints excluded: chain D residue 3987 ASP Chi-restraints excluded: chain D residue 3990 VAL Chi-restraints excluded: chain D residue 3996 PHE Chi-restraints excluded: chain D residue 4013 LEU Chi-restraints excluded: chain D residue 4020 GLN Chi-restraints excluded: chain D residue 4022 ASP Chi-restraints excluded: chain D residue 4023 MET Chi-restraints excluded: chain D residue 4025 VAL Chi-restraints excluded: chain D residue 4029 SER Chi-restraints excluded: chain D residue 4034 ASN Chi-restraints excluded: chain D residue 4045 VAL Chi-restraints excluded: chain D residue 4046 ASP Chi-restraints excluded: chain D residue 4049 VAL Chi-restraints excluded: chain D residue 4051 SER Chi-restraints excluded: chain D residue 4055 VAL Chi-restraints excluded: chain D residue 4066 LEU Chi-restraints excluded: chain D residue 4068 LEU Chi-restraints excluded: chain D residue 4070 ASP Chi-restraints excluded: chain D residue 4090 LYS Chi-restraints excluded: chain D residue 4097 MET Chi-restraints excluded: chain D residue 4102 GLN Chi-restraints excluded: chain D residue 4109 GLN Chi-restraints excluded: chain D residue 4121 GLU Chi-restraints excluded: chain D residue 4128 PHE Chi-restraints excluded: chain D residue 4133 GLN Chi-restraints excluded: chain D residue 4139 ILE Chi-restraints excluded: chain D residue 4143 VAL Chi-restraints excluded: chain D residue 4150 LEU Chi-restraints excluded: chain D residue 4151 SER Chi-restraints excluded: chain D residue 4157 ASP Chi-restraints excluded: chain D residue 4159 ARG Chi-restraints excluded: chain D residue 4162 ASN Chi-restraints excluded: chain D residue 4164 LEU Chi-restraints excluded: chain D residue 4166 LEU Chi-restraints excluded: chain D residue 4171 LEU Chi-restraints excluded: chain D residue 4175 ARG Chi-restraints excluded: chain D residue 4178 LEU Chi-restraints excluded: chain D residue 4181 ILE Chi-restraints excluded: chain D residue 4184 MET Chi-restraints excluded: chain D residue 4190 ILE Chi-restraints excluded: chain D residue 4200 THR Chi-restraints excluded: chain D residue 4212 GLU Chi-restraints excluded: chain D residue 4220 ASP Chi-restraints excluded: chain D residue 4231 MET Chi-restraints excluded: chain D residue 4238 CYS Chi-restraints excluded: chain D residue 4244 GLU Chi-restraints excluded: chain D residue 4251 ILE Chi-restraints excluded: chain D residue 4252 SER Chi-restraints excluded: chain D residue 4549 VAL Chi-restraints excluded: chain D residue 4558 ASN Chi-restraints excluded: chain D residue 4565 LEU Chi-restraints excluded: chain D residue 4573 ILE Chi-restraints excluded: chain D residue 4575 PHE Chi-restraints excluded: chain D residue 4630 TYR Chi-restraints excluded: chain D residue 4631 PHE Chi-restraints excluded: chain D residue 4632 LEU Chi-restraints excluded: chain D residue 4635 SER Chi-restraints excluded: chain D residue 4640 GLU Chi-restraints excluded: chain D residue 4643 LEU Chi-restraints excluded: chain D residue 4646 LEU Chi-restraints excluded: chain D residue 4649 LEU Chi-restraints excluded: chain D residue 4651 THR Chi-restraints excluded: chain D residue 4652 LEU Chi-restraints excluded: chain D residue 4653 VAL Chi-restraints excluded: chain D residue 4656 LEU Chi-restraints excluded: chain D residue 4657 CYS Chi-restraints excluded: chain D residue 4663 CYS Chi-restraints excluded: chain D residue 4671 PHE Chi-restraints excluded: chain D residue 4677 LEU Chi-restraints excluded: chain D residue 4684 ASP Chi-restraints excluded: chain D residue 4688 ILE Chi-restraints excluded: chain D residue 4691 GLN Chi-restraints excluded: chain D residue 4701 TRP Chi-restraints excluded: chain D residue 4720 VAL Chi-restraints excluded: chain D residue 4723 LYS Chi-restraints excluded: chain D residue 4740 LEU Chi-restraints excluded: chain D residue 4743 MET Chi-restraints excluded: chain D residue 4747 SER Chi-restraints excluded: chain D residue 4771 ILE Chi-restraints excluded: chain D residue 4774 LYS Chi-restraints excluded: chain D residue 4780 PHE Chi-restraints excluded: chain D residue 4783 ILE Chi-restraints excluded: chain D residue 4786 ASP Chi-restraints excluded: chain D residue 4788 SER Chi-restraints excluded: chain D residue 4794 TRP Chi-restraints excluded: chain D residue 4797 VAL Chi-restraints excluded: chain D residue 4807 PHE Chi-restraints excluded: chain D residue 4814 LEU Chi-restraints excluded: chain D residue 4818 MET Chi-restraints excluded: chain D residue 4822 THR Chi-restraints excluded: chain D residue 4827 LEU Chi-restraints excluded: chain D residue 4838 VAL Chi-restraints excluded: chain D residue 4849 TYR Chi-restraints excluded: chain D residue 4852 THR Chi-restraints excluded: chain D residue 4854 VAL Chi-restraints excluded: chain D residue 4867 GLU Chi-restraints excluded: chain D residue 4870 ASP Chi-restraints excluded: chain D residue 4877 ASP Chi-restraints excluded: chain D residue 4886 HIS Chi-restraints excluded: chain D residue 4901 ILE Chi-restraints excluded: chain D residue 4904 PRO Chi-restraints excluded: chain D residue 4913 ARG Chi-restraints excluded: chain D residue 4915 VAL Chi-restraints excluded: chain D residue 4918 ILE Chi-restraints excluded: chain D residue 4919 THR Chi-restraints excluded: chain D residue 4921 PHE Chi-restraints excluded: chain D residue 4936 ILE Chi-restraints excluded: chain D residue 4945 ASP Chi-restraints excluded: chain D residue 4950 VAL Chi-restraints excluded: chain D residue 4954 MET Chi-restraints excluded: chain D residue 4960 ILE Chi-restraints excluded: chain D residue 4966 ASP Chi-restraints excluded: chain D residue 4983 HIS Chi-restraints excluded: chain D residue 4985 LEU Chi-restraints excluded: chain D residue 4990 PHE Chi-restraints excluded: chain D residue 5010 VAL Chi-restraints excluded: chain D residue 5020 ASP Chi-restraints excluded: chain D residue 5027 CYS Rotamers are restrained with sigma=3.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 0 random chunks: chunk None optimal weight: 9.9990 overall best weight: 50.0000 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** A 57 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 308 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 379 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 460 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 461 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 479 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 610 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 618 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 735 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 772 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 949 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1130 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1158 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1165 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1760 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1837 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2161 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A2173 GLN ** A2184 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2253 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2744 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2858 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2872 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2877 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2931 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3643 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3809 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4078 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4094 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4100 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4102 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A4142 ASN ** A4204 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4223 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4650 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4700 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A4806 ASN ** A4973 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 23 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 57 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 218 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 379 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 394 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 460 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 479 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 610 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 618 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 735 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 772 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 949 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1130 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1158 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1165 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1640 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1760 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1837 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2161 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B2173 GLN ** B2184 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2253 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B2744 ASN ** B2858 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2872 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2877 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2931 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3643 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3970 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4078 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4094 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4100 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4102 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B4142 ASN ** B4204 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4223 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4650 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4700 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B4806 ASN ** B4973 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4987 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 57 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 379 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 394 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 460 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 461 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 479 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 610 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 618 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 735 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 772 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 949 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1130 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1158 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1165 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1640 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1760 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1837 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2161 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C2173 GLN ** C2184 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2253 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C2744 ASN ** C2872 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2877 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2931 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3643 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3809 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4078 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4094 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4100 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4102 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C4142 ASN ** C4204 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4650 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4700 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C4806 ASN ** C4973 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4987 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 57 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 379 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 460 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 479 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 610 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 618 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 735 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 772 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 949 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1130 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1158 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1165 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1760 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1837 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2161 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2184 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2253 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2324 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D2744 ASN ** D2872 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2877 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2931 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3643 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3809 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3970 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4078 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4094 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4100 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4102 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D4142 ASN ** D4204 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4223 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4650 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4700 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4714 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D4806 ASN ** D4973 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 14 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8277 moved from start: 1.4824 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.029 0.284 119724 Z= 1.896 Angle : 2.567 32.959 163324 Z= 1.311 Chirality : 0.101 0.687 19116 Planarity : 0.018 0.222 21488 Dihedral : 14.113 144.552 17724 Min Nonbonded Distance : 1.669 Molprobity Statistics. All-atom Clashscore : 147.66 Ramachandran Plot: Outliers : 1.71 % Allowed : 39.96 % Favored : 58.33 % Rotamer: Outliers : 28.94 % Allowed : 27.09 % Favored : 43.97 % Cbeta Deviations : 0.33 % Peptide Plane: Cis-proline : 0.64 % Cis-general : 0.00 % Twisted Proline : 7.01 % Twisted General : 3.91 % 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: -7.08 (0.05), residues: 12924 helix: -4.65 (0.04), residues: 5196 sheet: -4.09 (0.17), residues: 676 loop : -5.01 (0.05), residues: 7052 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.082 0.008 TRP C1132 HIS 0.062 0.008 HIS D4886 PHE 0.089 0.009 PHE A2340 TYR 0.084 0.009 TYR B4849 ARG 0.045 0.003 ARG C1661 *********************** REFINEMENT MACRO_CYCLE 5 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 25848 Ramachandran restraints generated. 12924 Oldfield, 0 Emsley, 12924 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 25848 Ramachandran restraints generated. 12924 Oldfield, 0 Emsley, 12924 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3357 residues out of total 11344 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2885 poor density : 472 time to evaluate : 8.722 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 12 GLN cc_start: 0.7829 (OUTLIER) cc_final: 0.7305 (mm110) REVERT: A 15 ARG cc_start: 0.8133 (OUTLIER) cc_final: 0.7569 (mtm-85) REVERT: A 67 PHE cc_start: 0.9190 (OUTLIER) cc_final: 0.8898 (m-10) REVERT: A 102 LEU cc_start: 0.8862 (OUTLIER) cc_final: 0.8625 (mt) REVERT: A 150 MET cc_start: 0.9110 (mmm) cc_final: 0.8906 (mmm) REVERT: A 152 PRO cc_start: 0.9450 (OUTLIER) cc_final: 0.9178 (Cg_exo) REVERT: A 246 TYR cc_start: 0.8883 (OUTLIER) cc_final: 0.8546 (t80) REVERT: A 263 GLU cc_start: 0.8960 (OUTLIER) cc_final: 0.8652 (pt0) REVERT: A 394 GLN cc_start: 0.6901 (OUTLIER) cc_final: 0.6523 (mp10) REVERT: A 396 GLU cc_start: 0.9361 (OUTLIER) cc_final: 0.8829 (pp20) REVERT: A 475 GLN cc_start: 0.9221 (OUTLIER) cc_final: 0.8873 (pm20) REVERT: A 497 TYR cc_start: 0.9082 (OUTLIER) cc_final: 0.8300 (m-80) REVERT: A 510 GLU cc_start: 0.9303 (OUTLIER) cc_final: 0.8840 (pm20) REVERT: A 581 ASN cc_start: 0.8930 (OUTLIER) cc_final: 0.8556 (p0) REVERT: A 663 TYR cc_start: 0.6770 (OUTLIER) cc_final: 0.5783 (t80) REVERT: A 714 TYR cc_start: 0.8585 (OUTLIER) cc_final: 0.7591 (m-80) REVERT: A 960 MET cc_start: 0.7710 (OUTLIER) cc_final: 0.6937 (tpt) REVERT: A 961 MET cc_start: 0.4806 (OUTLIER) cc_final: 0.3144 (ptp) REVERT: A 1039 LEU cc_start: 0.6104 (OUTLIER) cc_final: 0.5865 (tp) REVERT: A 1076 ARG cc_start: 0.9143 (OUTLIER) cc_final: 0.8054 (ptt90) REVERT: A 1100 MET cc_start: 0.7972 (pmm) cc_final: 0.7549 (pmm) REVERT: A 1120 LEU cc_start: 0.9011 (OUTLIER) cc_final: 0.8796 (mm) REVERT: A 1254 HIS cc_start: 0.8740 (OUTLIER) cc_final: 0.8247 (m-70) REVERT: A 1260 MET cc_start: 0.8333 (ppp) cc_final: 0.7805 (ppp) REVERT: A 1595 LEU cc_start: 0.9344 (OUTLIER) cc_final: 0.9117 (mp) REVERT: A 1605 TRP cc_start: 0.8913 (OUTLIER) cc_final: 0.8321 (m-10) REVERT: A 1630 CYS cc_start: 0.7660 (OUTLIER) cc_final: 0.7313 (m) REVERT: A 1648 MET cc_start: 0.9116 (OUTLIER) cc_final: 0.8550 (ttm) REVERT: A 1652 GLU cc_start: 0.9147 (OUTLIER) cc_final: 0.8383 (pp20) REVERT: A 1760 HIS cc_start: 0.6783 (OUTLIER) cc_final: 0.6562 (m90) REVERT: A 1772 ARG cc_start: 0.8740 (OUTLIER) cc_final: 0.8049 (mmt180) REVERT: A 1786 LEU cc_start: 0.4021 (OUTLIER) cc_final: 0.3685 (mt) REVERT: A 1861 GLN cc_start: 0.8958 (OUTLIER) cc_final: 0.8719 (tm-30) REVERT: A 1928 GLN cc_start: 0.9440 (OUTLIER) cc_final: 0.8862 (mp10) REVERT: A 1929 MET cc_start: 0.8615 (mpt) cc_final: 0.8187 (mpt) REVERT: A 1997 GLU cc_start: 0.7891 (OUTLIER) cc_final: 0.7390 (mp0) REVERT: A 2104 ARG cc_start: 0.9281 (OUTLIER) cc_final: 0.8918 (ptt-90) REVERT: A 2118 ARG cc_start: 0.9209 (OUTLIER) cc_final: 0.8742 (ttp80) REVERT: A 2120 MET cc_start: 0.8858 (OUTLIER) cc_final: 0.8597 (ppp) REVERT: A 2186 MET cc_start: 0.9417 (OUTLIER) cc_final: 0.9022 (mmm) REVERT: A 2193 GLN cc_start: 0.8681 (OUTLIER) cc_final: 0.8376 (mm110) REVERT: A 2228 MET cc_start: 0.9058 (OUTLIER) cc_final: 0.8786 (mmm) REVERT: A 2318 TYR cc_start: 0.8188 (OUTLIER) cc_final: 0.7567 (m-80) REVERT: A 2330 ARG cc_start: 0.8237 (OUTLIER) cc_final: 0.7750 (ttt180) REVERT: A 2440 MET cc_start: 0.8232 (mmp) cc_final: 0.8027 (mmp) REVERT: A 2472 LEU cc_start: 0.8586 (OUTLIER) cc_final: 0.8070 (mt) REVERT: A 2811 GLU cc_start: 0.8460 (OUTLIER) cc_final: 0.7989 (pm20) REVERT: A 2935 TYR cc_start: 0.6334 (OUTLIER) cc_final: 0.5382 (m-80) REVERT: A 3697 PRO cc_start: 0.9348 (OUTLIER) cc_final: 0.9079 (Cg_endo) REVERT: A 3718 GLU cc_start: 0.9506 (OUTLIER) cc_final: 0.9180 (mm-30) REVERT: A 3725 TYR cc_start: 0.9559 (OUTLIER) cc_final: 0.8968 (t80) REVERT: A 3753 PHE cc_start: 0.8503 (OUTLIER) cc_final: 0.8073 (t80) REVERT: A 3875 MET cc_start: 0.8621 (tpt) cc_final: 0.8268 (tpt) REVERT: A 3890 LEU cc_start: 0.9244 (OUTLIER) cc_final: 0.9024 (tp) REVERT: A 3937 TYR cc_start: 0.8270 (OUTLIER) cc_final: 0.7899 (m-10) REVERT: A 3986 TRP cc_start: 0.9204 (OUTLIER) cc_final: 0.8951 (m100) REVERT: A 4133 GLN cc_start: 0.8892 (OUTLIER) cc_final: 0.8672 (tp40) REVERT: A 4150 LEU cc_start: 0.9606 (OUTLIER) cc_final: 0.9388 (mm) REVERT: A 4205 TRP cc_start: 0.8916 (OUTLIER) cc_final: 0.8630 (t-100) REVERT: A 4212 GLU cc_start: 0.9363 (OUTLIER) cc_final: 0.8987 (pp20) REVERT: A 4640 GLU cc_start: 0.8131 (OUTLIER) cc_final: 0.7625 (tp30) REVERT: A 4643 LEU cc_start: 0.8433 (OUTLIER) cc_final: 0.7940 (tt) REVERT: A 4780 PHE cc_start: 0.9239 (OUTLIER) cc_final: 0.8876 (m-80) REVERT: A 4798 MET cc_start: 0.7818 (tmm) cc_final: 0.7477 (tmm) REVERT: A 4807 PHE cc_start: 0.6952 (OUTLIER) cc_final: 0.6640 (p90) REVERT: A 4818 MET cc_start: 0.8093 (OUTLIER) cc_final: 0.7307 (tpt) REVERT: A 4913 ARG cc_start: 0.8168 (OUTLIER) cc_final: 0.7895 (ttm170) REVERT: B 12 GLN cc_start: 0.7862 (OUTLIER) cc_final: 0.7367 (mm110) REVERT: B 15 ARG cc_start: 0.8104 (OUTLIER) cc_final: 0.7528 (mtm-85) REVERT: B 67 PHE cc_start: 0.9158 (OUTLIER) cc_final: 0.8858 (m-10) REVERT: B 71 GLN cc_start: 0.8897 (OUTLIER) cc_final: 0.8394 (pm20) REVERT: B 102 LEU cc_start: 0.8900 (OUTLIER) cc_final: 0.8665 (mt) REVERT: B 152 PRO cc_start: 0.9447 (OUTLIER) cc_final: 0.9170 (Cg_exo) REVERT: B 246 TYR cc_start: 0.8908 (OUTLIER) cc_final: 0.8667 (t80) REVERT: B 247 TYR cc_start: 0.8793 (OUTLIER) cc_final: 0.8407 (m-80) REVERT: B 283 ARG cc_start: 0.9104 (OUTLIER) cc_final: 0.8657 (ttt-90) REVERT: B 471 LEU cc_start: 0.9577 (OUTLIER) cc_final: 0.9367 (pt) REVERT: B 475 GLN cc_start: 0.9212 (OUTLIER) cc_final: 0.8852 (pm20) REVERT: B 497 TYR cc_start: 0.9076 (OUTLIER) cc_final: 0.8340 (m-80) REVERT: B 510 GLU cc_start: 0.9302 (OUTLIER) cc_final: 0.8842 (pm20) REVERT: B 581 ASN cc_start: 0.8930 (OUTLIER) cc_final: 0.8557 (p0) REVERT: B 663 TYR cc_start: 0.6725 (OUTLIER) cc_final: 0.5700 (t80) REVERT: B 714 TYR cc_start: 0.8592 (OUTLIER) cc_final: 0.7595 (m-80) REVERT: B 960 MET cc_start: 0.7719 (OUTLIER) cc_final: 0.6776 (tpp) REVERT: B 961 MET cc_start: 0.5056 (OUTLIER) cc_final: 0.3832 (ptp) REVERT: B 1039 LEU cc_start: 0.6056 (OUTLIER) cc_final: 0.5808 (tp) REVERT: B 1100 MET cc_start: 0.7972 (pmm) cc_final: 0.7540 (pmm) REVERT: B 1120 LEU cc_start: 0.9009 (OUTLIER) cc_final: 0.8804 (mm) REVERT: B 1254 HIS cc_start: 0.8702 (OUTLIER) cc_final: 0.8206 (m-70) REVERT: B 1260 MET cc_start: 0.8340 (ppp) cc_final: 0.7812 (ppp) REVERT: B 1595 LEU cc_start: 0.9347 (OUTLIER) cc_final: 0.9130 (mp) REVERT: B 1605 TRP cc_start: 0.8869 (OUTLIER) cc_final: 0.8653 (m-10) REVERT: B 1648 MET cc_start: 0.9114 (OUTLIER) cc_final: 0.8550 (ttm) REVERT: B 1652 GLU cc_start: 0.9145 (OUTLIER) cc_final: 0.8383 (pp20) REVERT: B 1760 HIS cc_start: 0.6671 (OUTLIER) cc_final: 0.6429 (m90) REVERT: B 1772 ARG cc_start: 0.8753 (OUTLIER) cc_final: 0.8059 (mmt180) REVERT: B 1786 LEU cc_start: 0.4341 (OUTLIER) cc_final: 0.4036 (mt) REVERT: B 1861 GLN cc_start: 0.8994 (OUTLIER) cc_final: 0.8744 (tm-30) REVERT: B 1928 GLN cc_start: 0.9446 (OUTLIER) cc_final: 0.8876 (mp10) REVERT: B 1929 MET cc_start: 0.8638 (mpt) cc_final: 0.8205 (mpt) REVERT: B 1997 GLU cc_start: 0.7951 (OUTLIER) cc_final: 0.7431 (mp0) REVERT: B 2104 ARG cc_start: 0.9279 (OUTLIER) cc_final: 0.8922 (ptt-90) REVERT: B 2118 ARG cc_start: 0.9212 (OUTLIER) cc_final: 0.8751 (ttp80) REVERT: B 2120 MET cc_start: 0.8858 (OUTLIER) cc_final: 0.8575 (ppp) REVERT: B 2186 MET cc_start: 0.9414 (OUTLIER) cc_final: 0.9023 (mmm) REVERT: B 2193 GLN cc_start: 0.8600 (OUTLIER) cc_final: 0.8288 (mm110) REVERT: B 2204 HIS cc_start: 0.9637 (OUTLIER) cc_final: 0.9364 (p-80) REVERT: B 2228 MET cc_start: 0.9083 (OUTLIER) cc_final: 0.8775 (mmm) REVERT: B 2318 TYR cc_start: 0.8080 (OUTLIER) cc_final: 0.7532 (m-80) REVERT: B 2330 ARG cc_start: 0.8244 (OUTLIER) cc_final: 0.7746 (ttt180) REVERT: B 2340 PHE cc_start: 0.8363 (OUTLIER) cc_final: 0.8104 (p90) REVERT: B 2472 LEU cc_start: 0.8590 (OUTLIER) cc_final: 0.8078 (mt) REVERT: B 2792 ARG cc_start: 0.4531 (OUTLIER) cc_final: 0.4139 (tmm-80) REVERT: B 2811 GLU cc_start: 0.8437 (OUTLIER) cc_final: 0.7975 (pm20) REVERT: B 2935 TYR cc_start: 0.6345 (OUTLIER) cc_final: 0.5395 (m-80) REVERT: B 3669 PHE cc_start: 0.8481 (OUTLIER) cc_final: 0.8271 (p90) REVERT: B 3697 PRO cc_start: 0.9343 (OUTLIER) cc_final: 0.9076 (Cg_endo) REVERT: B 3718 GLU cc_start: 0.9456 (OUTLIER) cc_final: 0.9069 (mm-30) REVERT: B 3725 TYR cc_start: 0.9549 (OUTLIER) cc_final: 0.8978 (t80) REVERT: B 3753 PHE cc_start: 0.8941 (OUTLIER) cc_final: 0.8516 (t80) REVERT: B 3875 MET cc_start: 0.8719 (tpt) cc_final: 0.8225 (tpt) REVERT: B 3937 TYR cc_start: 0.8256 (OUTLIER) cc_final: 0.7938 (m-10) REVERT: B 3970 GLN cc_start: 0.8605 (OUTLIER) cc_final: 0.8356 (tm-30) REVERT: B 3986 TRP cc_start: 0.9200 (OUTLIER) cc_final: 0.8941 (m100) REVERT: B 4133 GLN cc_start: 0.8894 (OUTLIER) cc_final: 0.8669 (tp40) REVERT: B 4195 PHE cc_start: 0.9218 (OUTLIER) cc_final: 0.8266 (p90) REVERT: B 4205 TRP cc_start: 0.8986 (OUTLIER) cc_final: 0.8623 (t-100) REVERT: B 4212 GLU cc_start: 0.9366 (OUTLIER) cc_final: 0.9049 (pp20) REVERT: B 4245 MET cc_start: 0.9327 (OUTLIER) cc_final: 0.9112 (mmt) REVERT: B 4640 GLU cc_start: 0.8056 (OUTLIER) cc_final: 0.7560 (tp30) REVERT: B 4643 LEU cc_start: 0.8433 (OUTLIER) cc_final: 0.7938 (tt) REVERT: B 4780 PHE cc_start: 0.9242 (OUTLIER) cc_final: 0.8876 (m-80) REVERT: B 4798 MET cc_start: 0.7827 (tmm) cc_final: 0.7479 (tmm) REVERT: B 4807 PHE cc_start: 0.6959 (OUTLIER) cc_final: 0.6644 (p90) REVERT: B 4913 ARG cc_start: 0.8160 (OUTLIER) cc_final: 0.7894 (ttm170) REVERT: B 4954 MET cc_start: 0.7384 (OUTLIER) cc_final: 0.6789 (mtp) REVERT: B 4991 PHE cc_start: 0.9566 (OUTLIER) cc_final: 0.8788 (t80) REVERT: B 5030 LYS cc_start: 0.8812 (OUTLIER) cc_final: 0.8542 (ptmm) REVERT: C 12 GLN cc_start: 0.8556 (OUTLIER) cc_final: 0.8252 (mm110) REVERT: C 15 ARG cc_start: 0.8410 (OUTLIER) cc_final: 0.7878 (mtm-85) REVERT: C 67 PHE cc_start: 0.9152 (OUTLIER) cc_final: 0.8853 (m-10) REVERT: C 71 GLN cc_start: 0.8904 (OUTLIER) cc_final: 0.8411 (pm20) REVERT: C 102 LEU cc_start: 0.8947 (OUTLIER) cc_final: 0.8711 (mt) REVERT: C 152 PRO cc_start: 0.9440 (OUTLIER) cc_final: 0.9179 (Cg_exo) REVERT: C 246 TYR cc_start: 0.8907 (OUTLIER) cc_final: 0.8664 (t80) REVERT: C 247 TYR cc_start: 0.8800 (OUTLIER) cc_final: 0.8397 (m-80) REVERT: C 283 ARG cc_start: 0.9099 (OUTLIER) cc_final: 0.8632 (ttt-90) REVERT: C 394 GLN cc_start: 0.7010 (OUTLIER) cc_final: 0.6620 (mp10) REVERT: C 396 GLU cc_start: 0.9363 (OUTLIER) cc_final: 0.8828 (pp20) REVERT: C 475 GLN cc_start: 0.9222 (OUTLIER) cc_final: 0.8876 (pm20) REVERT: C 497 TYR cc_start: 0.9078 (OUTLIER) cc_final: 0.8299 (m-80) REVERT: C 510 GLU cc_start: 0.9301 (OUTLIER) cc_final: 0.8840 (pm20) REVERT: C 581 ASN cc_start: 0.8929 (OUTLIER) cc_final: 0.8556 (p0) REVERT: C 663 TYR cc_start: 0.6757 (OUTLIER) cc_final: 0.5782 (t80) REVERT: C 714 TYR cc_start: 0.8595 (OUTLIER) cc_final: 0.7537 (m-80) REVERT: C 960 MET cc_start: 0.7722 (OUTLIER) cc_final: 0.6791 (tpp) REVERT: C 961 MET cc_start: 0.4811 (OUTLIER) cc_final: 0.3563 (ptp) REVERT: C 1039 LEU cc_start: 0.6060 (OUTLIER) cc_final: 0.5814 (tp) REVERT: C 1100 MET cc_start: 0.7975 (pmm) cc_final: 0.7544 (pmm) REVERT: C 1120 LEU cc_start: 0.9011 (OUTLIER) cc_final: 0.8804 (mm) REVERT: C 1254 HIS cc_start: 0.8737 (OUTLIER) cc_final: 0.8249 (m-70) REVERT: C 1260 MET cc_start: 0.8334 (ppp) cc_final: 0.7807 (ppp) REVERT: C 1595 LEU cc_start: 0.9336 (OUTLIER) cc_final: 0.9119 (mp) REVERT: C 1605 TRP cc_start: 0.8870 (OUTLIER) cc_final: 0.8611 (m-10) REVERT: C 1648 MET cc_start: 0.9113 (OUTLIER) cc_final: 0.8552 (ttm) REVERT: C 1652 GLU cc_start: 0.9150 (OUTLIER) cc_final: 0.8384 (pp20) REVERT: C 1760 HIS cc_start: 0.6770 (OUTLIER) cc_final: 0.6557 (m90) REVERT: C 1772 ARG cc_start: 0.8738 (OUTLIER) cc_final: 0.8034 (mmt180) REVERT: C 1786 LEU cc_start: 0.4079 (OUTLIER) cc_final: 0.3744 (mt) REVERT: C 1861 GLN cc_start: 0.8957 (OUTLIER) cc_final: 0.8666 (tm-30) REVERT: C 1928 GLN cc_start: 0.9441 (OUTLIER) cc_final: 0.8865 (mp10) REVERT: C 1929 MET cc_start: 0.8617 (mpt) cc_final: 0.8192 (mpt) REVERT: C 1997 GLU cc_start: 0.7931 (OUTLIER) cc_final: 0.7416 (mp0) REVERT: C 2104 ARG cc_start: 0.9283 (OUTLIER) cc_final: 0.8920 (ptt-90) REVERT: C 2118 ARG cc_start: 0.9213 (OUTLIER) cc_final: 0.8746 (ttp80) REVERT: C 2120 MET cc_start: 0.8859 (OUTLIER) cc_final: 0.8589 (ppp) REVERT: C 2186 MET cc_start: 0.9418 (OUTLIER) cc_final: 0.9025 (mmm) REVERT: C 2193 GLN cc_start: 0.8681 (OUTLIER) cc_final: 0.8376 (mm110) REVERT: C 2228 MET cc_start: 0.9061 (OUTLIER) cc_final: 0.8787 (mmm) REVERT: C 2318 TYR cc_start: 0.8085 (OUTLIER) cc_final: 0.7535 (m-80) REVERT: C 2330 ARG cc_start: 0.8240 (OUTLIER) cc_final: 0.7741 (ttt180) REVERT: C 2340 PHE cc_start: 0.8377 (OUTLIER) cc_final: 0.8117 (p90) REVERT: C 2472 LEU cc_start: 0.8590 (OUTLIER) cc_final: 0.8076 (mt) REVERT: C 2792 ARG cc_start: 0.4558 (OUTLIER) cc_final: 0.4162 (tmm-80) REVERT: C 2811 GLU cc_start: 0.8811 (OUTLIER) cc_final: 0.8538 (pm20) REVERT: C 2935 TYR cc_start: 0.6343 (OUTLIER) cc_final: 0.5392 (m-80) REVERT: C 3697 PRO cc_start: 0.9343 (OUTLIER) cc_final: 0.9076 (Cg_endo) REVERT: C 3725 TYR cc_start: 0.9561 (OUTLIER) cc_final: 0.8981 (t80) REVERT: C 3753 PHE cc_start: 0.8477 (OUTLIER) cc_final: 0.8070 (t80) REVERT: C 3875 MET cc_start: 0.8620 (tpt) cc_final: 0.8264 (tpt) REVERT: C 3890 LEU cc_start: 0.9246 (OUTLIER) cc_final: 0.9030 (tp) REVERT: C 3937 TYR cc_start: 0.8269 (OUTLIER) cc_final: 0.7898 (m-10) REVERT: C 3986 TRP cc_start: 0.9215 (OUTLIER) cc_final: 0.8953 (m100) REVERT: C 4134 GLU cc_start: 0.9104 (OUTLIER) cc_final: 0.8885 (pm20) REVERT: C 4195 PHE cc_start: 0.9228 (OUTLIER) cc_final: 0.8807 (p90) REVERT: C 4205 TRP cc_start: 0.8983 (OUTLIER) cc_final: 0.8638 (t-100) REVERT: C 4212 GLU cc_start: 0.9351 (OUTLIER) cc_final: 0.8976 (pp20) REVERT: C 4245 MET cc_start: 0.9349 (OUTLIER) cc_final: 0.9144 (mmt) REVERT: C 4640 GLU cc_start: 0.8054 (OUTLIER) cc_final: 0.7621 (tp30) REVERT: C 4643 LEU cc_start: 0.8446 (OUTLIER) cc_final: 0.7959 (tt) REVERT: C 4701 TRP cc_start: 0.8242 (OUTLIER) cc_final: 0.7574 (t-100) REVERT: C 4780 PHE cc_start: 0.9244 (OUTLIER) cc_final: 0.8874 (m-80) REVERT: C 4798 MET cc_start: 0.7825 (tmm) cc_final: 0.7486 (tmm) REVERT: C 4807 PHE cc_start: 0.6959 (OUTLIER) cc_final: 0.6602 (p90) REVERT: C 4913 ARG cc_start: 0.8148 (OUTLIER) cc_final: 0.7878 (ttm170) REVERT: D 12 GLN cc_start: 0.7881 (OUTLIER) cc_final: 0.7381 (mm110) REVERT: D 15 ARG cc_start: 0.8109 (OUTLIER) cc_final: 0.7538 (mtm-85) REVERT: D 67 PHE cc_start: 0.9160 (OUTLIER) cc_final: 0.8864 (m-10) REVERT: D 71 GLN cc_start: 0.8896 (OUTLIER) cc_final: 0.8394 (pm20) REVERT: D 102 LEU cc_start: 0.8848 (OUTLIER) cc_final: 0.8612 (mt) REVERT: D 150 MET cc_start: 0.9116 (mmm) cc_final: 0.8913 (mmm) REVERT: D 152 PRO cc_start: 0.9451 (OUTLIER) cc_final: 0.9177 (Cg_exo) REVERT: D 246 TYR cc_start: 0.8909 (OUTLIER) cc_final: 0.8665 (t80) REVERT: D 247 TYR cc_start: 0.8805 (OUTLIER) cc_final: 0.8399 (m-80) REVERT: D 283 ARG cc_start: 0.9110 (OUTLIER) cc_final: 0.8670 (ttt-90) REVERT: D 394 GLN cc_start: 0.6909 (OUTLIER) cc_final: 0.6525 (mp10) REVERT: D 396 GLU cc_start: 0.9360 (OUTLIER) cc_final: 0.8824 (pp20) REVERT: D 471 LEU cc_start: 0.9561 (OUTLIER) cc_final: 0.9356 (pt) REVERT: D 475 GLN cc_start: 0.9215 (OUTLIER) cc_final: 0.8852 (pm20) REVERT: D 497 TYR cc_start: 0.9077 (OUTLIER) cc_final: 0.8337 (m-80) REVERT: D 510 GLU cc_start: 0.9302 (OUTLIER) cc_final: 0.8841 (pm20) REVERT: D 581 ASN cc_start: 0.8933 (OUTLIER) cc_final: 0.8556 (p0) REVERT: D 663 TYR cc_start: 0.6813 (OUTLIER) cc_final: 0.5760 (t80) REVERT: D 714 TYR cc_start: 0.8595 (OUTLIER) cc_final: 0.7600 (m-80) REVERT: D 960 MET cc_start: 0.7718 (OUTLIER) cc_final: 0.6784 (tpp) REVERT: D 961 MET cc_start: 0.5041 (OUTLIER) cc_final: 0.3788 (ptp) REVERT: D 1039 LEU cc_start: 0.6059 (OUTLIER) cc_final: 0.5815 (tp) REVERT: D 1076 ARG cc_start: 0.9142 (OUTLIER) cc_final: 0.8024 (ptt90) REVERT: D 1100 MET cc_start: 0.7977 (pmm) cc_final: 0.7551 (pmm) REVERT: D 1120 LEU cc_start: 0.9008 (OUTLIER) cc_final: 0.8791 (mm) REVERT: D 1254 HIS cc_start: 0.8709 (OUTLIER) cc_final: 0.8218 (m-70) REVERT: D 1260 MET cc_start: 0.8337 (ppp) cc_final: 0.7807 (ppp) REVERT: D 1595 LEU cc_start: 0.9350 (OUTLIER) cc_final: 0.9131 (mp) REVERT: D 1605 TRP cc_start: 0.8911 (OUTLIER) cc_final: 0.8308 (m-10) REVERT: D 1648 MET cc_start: 0.9120 (OUTLIER) cc_final: 0.8557 (ttm) REVERT: D 1652 GLU cc_start: 0.9149 (OUTLIER) cc_final: 0.8385 (pp20) REVERT: D 1772 ARG cc_start: 0.8739 (OUTLIER) cc_final: 0.8036 (mmt180) REVERT: D 1786 LEU cc_start: 0.4044 (OUTLIER) cc_final: 0.3678 (mt) REVERT: D 1861 GLN cc_start: 0.8951 (OUTLIER) cc_final: 0.8659 (tm-30) REVERT: D 1928 GLN cc_start: 0.9438 (OUTLIER) cc_final: 0.8860 (mp10) REVERT: D 1929 MET cc_start: 0.8613 (mpt) cc_final: 0.8194 (mpt) REVERT: D 1997 GLU cc_start: 0.7944 (OUTLIER) cc_final: 0.7428 (mp0) REVERT: D 2104 ARG cc_start: 0.9280 (OUTLIER) cc_final: 0.8917 (ptt-90) REVERT: D 2118 ARG cc_start: 0.9189 (OUTLIER) cc_final: 0.8696 (ttp80) REVERT: D 2120 MET cc_start: 0.8933 (OUTLIER) cc_final: 0.8607 (ppp) REVERT: D 2186 MET cc_start: 0.9419 (OUTLIER) cc_final: 0.9029 (mmm) REVERT: D 2193 GLN cc_start: 0.8677 (OUTLIER) cc_final: 0.8370 (mm110) REVERT: D 2228 MET cc_start: 0.9060 (OUTLIER) cc_final: 0.8787 (mmm) REVERT: D 2318 TYR cc_start: 0.8191 (OUTLIER) cc_final: 0.7571 (m-80) REVERT: D 2330 ARG cc_start: 0.8239 (OUTLIER) cc_final: 0.7742 (ttt180) REVERT: D 2340 PHE cc_start: 0.8363 (OUTLIER) cc_final: 0.8143 (p90) REVERT: D 2472 LEU cc_start: 0.8585 (OUTLIER) cc_final: 0.8071 (mt) REVERT: D 2811 GLU cc_start: 0.8823 (OUTLIER) cc_final: 0.8555 (pm20) REVERT: D 2874 MET cc_start: 0.3528 (mtt) cc_final: 0.3326 (ttt) REVERT: D 2935 TYR cc_start: 0.6278 (OUTLIER) cc_final: 0.5318 (m-80) REVERT: D 3697 PRO cc_start: 0.9349 (OUTLIER) cc_final: 0.9082 (Cg_endo) REVERT: D 3725 TYR cc_start: 0.9575 (OUTLIER) cc_final: 0.8958 (t80) REVERT: D 3750 GLU cc_start: 0.8294 (OUTLIER) cc_final: 0.7946 (tm-30) REVERT: D 3753 PHE cc_start: 0.8506 (OUTLIER) cc_final: 0.8077 (t80) REVERT: D 3875 MET cc_start: 0.8694 (tpt) cc_final: 0.8107 (tpt) REVERT: D 3890 LEU cc_start: 0.9224 (OUTLIER) cc_final: 0.9006 (tp) REVERT: D 3937 TYR cc_start: 0.8261 (OUTLIER) cc_final: 0.7939 (m-10) REVERT: D 3970 GLN cc_start: 0.8590 (OUTLIER) cc_final: 0.8366 (tm-30) REVERT: D 3986 TRP cc_start: 0.9244 (OUTLIER) cc_final: 0.8965 (m100) REVERT: D 4088 ILE cc_start: 0.6862 (OUTLIER) cc_final: 0.6652 (tt) REVERT: D 4133 GLN cc_start: 0.8901 (OUTLIER) cc_final: 0.8678 (tp40) REVERT: D 4195 PHE cc_start: 0.9226 (OUTLIER) cc_final: 0.8835 (p90) REVERT: D 4205 TRP cc_start: 0.8968 (OUTLIER) cc_final: 0.8654 (t-100) REVERT: D 4212 GLU cc_start: 0.9371 (OUTLIER) cc_final: 0.9003 (pp20) REVERT: D 4640 GLU cc_start: 0.8097 (OUTLIER) cc_final: 0.7602 (tp30) REVERT: D 4643 LEU cc_start: 0.8528 (OUTLIER) cc_final: 0.8043 (tt) REVERT: D 4674 GLU cc_start: 0.9498 (OUTLIER) cc_final: 0.9195 (tp30) REVERT: D 4780 PHE cc_start: 0.9243 (OUTLIER) cc_final: 0.8879 (m-80) REVERT: D 4798 MET cc_start: 0.7829 (tmm) cc_final: 0.7613 (tmm) REVERT: D 4913 ARG cc_start: 0.8170 (OUTLIER) cc_final: 0.7828 (ttm170) REVERT: D 4954 MET cc_start: 0.7310 (OUTLIER) cc_final: 0.6740 (mtp) REVERT: D 5004 THR cc_start: 0.9107 (OUTLIER) cc_final: 0.8838 (p) outliers start: 2885 outliers final: 1921 residues processed: 3203 average time/residue: 0.9204 time to fit residues: 5248.9074 Evaluate side-chains 2649 residues out of total 11344 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2174 poor density : 475 time to evaluate : 8.826 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 12 GLN Chi-restraints excluded: chain A residue 15 ARG Chi-restraints excluded: chain A residue 16 THR Chi-restraints excluded: chain A residue 17 ASP Chi-restraints excluded: chain A residue 18 ASP Chi-restraints excluded: chain A residue 29 LEU Chi-restraints excluded: chain A residue 32 GLN Chi-restraints excluded: chain A residue 40 GLU Chi-restraints excluded: chain A residue 44 ASN Chi-restraints excluded: chain A residue 62 LEU Chi-restraints excluded: chain A residue 66 CYS Chi-restraints excluded: chain A residue 67 PHE Chi-restraints excluded: chain A residue 70 GLU Chi-restraints excluded: chain A residue 73 LEU Chi-restraints excluded: chain A residue 75 VAL Chi-restraints excluded: chain A residue 76 ARG Chi-restraints excluded: chain A residue 78 LEU Chi-restraints excluded: chain A residue 81 MET Chi-restraints excluded: chain A residue 100 THR Chi-restraints excluded: chain A residue 102 LEU Chi-restraints excluded: chain A residue 111 HIS Chi-restraints excluded: chain A residue 113 HIS Chi-restraints excluded: chain A residue 121 LEU Chi-restraints excluded: chain A residue 123 THR Chi-restraints excluded: chain A residue 134 ASP Chi-restraints excluded: chain A residue 135 VAL Chi-restraints excluded: chain A residue 144 GLU Chi-restraints excluded: chain A residue 149 THR Chi-restraints excluded: chain A residue 152 PRO Chi-restraints excluded: chain A residue 156 GLN Chi-restraints excluded: chain A residue 163 VAL Chi-restraints excluded: chain A residue 164 ARG Chi-restraints excluded: chain A residue 165 VAL Chi-restraints excluded: chain A residue 169 LEU Chi-restraints excluded: chain A residue 173 SER Chi-restraints excluded: chain A residue 176 SER Chi-restraints excluded: chain A residue 179 TYR Chi-restraints excluded: chain A residue 181 HIS Chi-restraints excluded: chain A residue 191 VAL Chi-restraints excluded: chain A residue 205 ILE Chi-restraints excluded: chain A residue 208 CYS Chi-restraints excluded: chain A residue 210 GLU Chi-restraints excluded: chain A residue 211 GLU Chi-restraints excluded: chain A residue 222 LEU Chi-restraints excluded: chain A residue 244 LEU Chi-restraints excluded: chain A residue 246 TYR Chi-restraints excluded: chain A residue 257 ARG Chi-restraints excluded: chain A residue 262 LEU Chi-restraints excluded: chain A residue 263 GLU Chi-restraints excluded: chain A residue 270 SER Chi-restraints excluded: chain A residue 282 ILE Chi-restraints excluded: chain A residue 286 THR Chi-restraints excluded: chain A residue 289 ARG Chi-restraints excluded: chain A residue 293 LEU Chi-restraints excluded: chain A residue 294 THR Chi-restraints excluded: chain A residue 301 VAL Chi-restraints excluded: chain A residue 303 ASP Chi-restraints excluded: chain A residue 313 SER Chi-restraints excluded: chain A residue 343 GLU Chi-restraints excluded: chain A residue 345 LEU Chi-restraints excluded: chain A residue 355 LEU Chi-restraints excluded: chain A residue 358 THR Chi-restraints excluded: chain A residue 359 TYR Chi-restraints excluded: chain A residue 373 LYS Chi-restraints excluded: chain A residue 390 LEU Chi-restraints excluded: chain A residue 391 THR Chi-restraints excluded: chain A residue 394 GLN Chi-restraints excluded: chain A residue 396 GLU Chi-restraints excluded: chain A residue 397 GLU Chi-restraints excluded: chain A residue 403 MET Chi-restraints excluded: chain A residue 404 ILE Chi-restraints excluded: chain A residue 415 ILE Chi-restraints excluded: chain A residue 439 GLU Chi-restraints excluded: chain A residue 442 ILE Chi-restraints excluded: chain A residue 447 ASP Chi-restraints excluded: chain A residue 452 PHE Chi-restraints excluded: chain A residue 475 GLN Chi-restraints excluded: chain A residue 483 MET Chi-restraints excluded: chain A residue 485 SER Chi-restraints excluded: chain A residue 486 LEU Chi-restraints excluded: chain A residue 487 VAL Chi-restraints excluded: chain A residue 488 LEU Chi-restraints excluded: chain A residue 491 ILE Chi-restraints excluded: chain A residue 497 TYR Chi-restraints excluded: chain A residue 506 TYR Chi-restraints excluded: chain A residue 510 GLU Chi-restraints excluded: chain A residue 513 GLU Chi-restraints excluded: chain A residue 514 SER Chi-restraints excluded: chain A residue 517 GLU Chi-restraints excluded: chain A residue 519 VAL Chi-restraints excluded: chain A residue 521 LEU Chi-restraints excluded: chain A residue 526 LEU Chi-restraints excluded: chain A residue 529 LEU Chi-restraints excluded: chain A residue 530 ILE Chi-restraints excluded: chain A residue 533 ASN Chi-restraints excluded: chain A residue 536 ASN Chi-restraints excluded: chain A residue 539 LEU Chi-restraints excluded: chain A residue 540 PHE Chi-restraints excluded: chain A residue 541 SER Chi-restraints excluded: chain A residue 547 VAL Chi-restraints excluded: chain A residue 561 LEU Chi-restraints excluded: chain A residue 563 VAL Chi-restraints excluded: chain A residue 564 LEU Chi-restraints excluded: chain A residue 569 ILE Chi-restraints excluded: chain A residue 575 LEU Chi-restraints excluded: chain A residue 579 GLN Chi-restraints excluded: chain A residue 581 ASN Chi-restraints excluded: chain A residue 582 HIS Chi-restraints excluded: chain A residue 586 ILE Chi-restraints excluded: chain A residue 590 LEU Chi-restraints excluded: chain A residue 591 ASP Chi-restraints excluded: chain A residue 599 VAL Chi-restraints excluded: chain A residue 605 SER Chi-restraints excluded: chain A residue 609 CYS Chi-restraints excluded: chain A residue 625 LEU Chi-restraints excluded: chain A residue 631 LEU Chi-restraints excluded: chain A residue 635 THR Chi-restraints excluded: chain A residue 638 ILE Chi-restraints excluded: chain A residue 642 THR Chi-restraints excluded: chain A residue 663 TYR Chi-restraints excluded: chain A residue 665 GLU Chi-restraints excluded: chain A residue 667 MET Chi-restraints excluded: chain A residue 669 ASP Chi-restraints excluded: chain A residue 695 TYR Chi-restraints excluded: chain A residue 702 TRP Chi-restraints excluded: chain A residue 709 ASP Chi-restraints excluded: chain A residue 712 TYR Chi-restraints excluded: chain A residue 714 TYR Chi-restraints excluded: chain A residue 719 LEU Chi-restraints excluded: chain A residue 737 LEU Chi-restraints excluded: chain A residue 748 LEU Chi-restraints excluded: chain A residue 751 SER Chi-restraints excluded: chain A residue 752 VAL Chi-restraints excluded: chain A residue 754 SER Chi-restraints excluded: chain A residue 756 SER Chi-restraints excluded: chain A residue 771 PHE Chi-restraints excluded: chain A residue 783 PHE Chi-restraints excluded: chain A residue 792 LEU Chi-restraints excluded: chain A residue 815 VAL Chi-restraints excluded: chain A residue 822 ARG Chi-restraints excluded: chain A residue 829 TYR Chi-restraints excluded: chain A residue 839 LEU Chi-restraints excluded: chain A residue 840 VAL Chi-restraints excluded: chain A residue 867 LEU Chi-restraints excluded: chain A residue 869 ARG Chi-restraints excluded: chain A residue 886 ARG Chi-restraints excluded: chain A residue 896 VAL Chi-restraints excluded: chain A residue 900 ASN Chi-restraints excluded: chain A residue 908 VAL Chi-restraints excluded: chain A residue 923 GLN Chi-restraints excluded: chain A residue 928 THR Chi-restraints excluded: chain A residue 948 ASP Chi-restraints excluded: chain A residue 960 MET Chi-restraints excluded: chain A residue 961 MET Chi-restraints excluded: chain A residue 965 TYR Chi-restraints excluded: chain A residue 971 ASP Chi-restraints excluded: chain A residue 972 LEU Chi-restraints excluded: chain A residue 974 HIS Chi-restraints excluded: chain A residue 978 THR Chi-restraints excluded: chain A residue 1036 ARG Chi-restraints excluded: chain A residue 1037 ASP Chi-restraints excluded: chain A residue 1039 LEU Chi-restraints excluded: chain A residue 1072 VAL Chi-restraints excluded: chain A residue 1076 ARG Chi-restraints excluded: chain A residue 1078 GLU Chi-restraints excluded: chain A residue 1081 TYR Chi-restraints excluded: chain A residue 1087 ARG Chi-restraints excluded: chain A residue 1101 ARG Chi-restraints excluded: chain A residue 1108 GLU Chi-restraints excluded: chain A residue 1120 LEU Chi-restraints excluded: chain A residue 1127 HIS Chi-restraints excluded: chain A residue 1132 TRP Chi-restraints excluded: chain A residue 1133 HIS Chi-restraints excluded: chain A residue 1134 LEU Chi-restraints excluded: chain A residue 1139 PHE Chi-restraints excluded: chain A residue 1143 TRP Chi-restraints excluded: chain A residue 1158 ASN Chi-restraints excluded: chain A residue 1163 THR Chi-restraints excluded: chain A residue 1169 LEU Chi-restraints excluded: chain A residue 1170 MET Chi-restraints excluded: chain A residue 1172 ASP Chi-restraints excluded: chain A residue 1184 ILE Chi-restraints excluded: chain A residue 1191 VAL Chi-restraints excluded: chain A residue 1201 HIS Chi-restraints excluded: chain A residue 1202 LEU Chi-restraints excluded: chain A residue 1203 ASN Chi-restraints excluded: chain A residue 1204 LEU Chi-restraints excluded: chain A residue 1216 ILE Chi-restraints excluded: chain A residue 1240 LYS Chi-restraints excluded: chain A residue 1242 LEU Chi-restraints excluded: chain A residue 1245 PHE Chi-restraints excluded: chain A residue 1248 VAL Chi-restraints excluded: chain A residue 1251 GLU Chi-restraints excluded: chain A residue 1254 HIS Chi-restraints excluded: chain A residue 1266 THR Chi-restraints excluded: chain A residue 1575 LEU Chi-restraints excluded: chain A residue 1595 LEU Chi-restraints excluded: chain A residue 1597 VAL Chi-restraints excluded: chain A residue 1600 LEU Chi-restraints excluded: chain A residue 1601 MET Chi-restraints excluded: chain A residue 1605 TRP Chi-restraints excluded: chain A residue 1608 MET Chi-restraints excluded: chain A residue 1630 CYS Chi-restraints excluded: chain A residue 1636 MET Chi-restraints excluded: chain A residue 1641 ILE Chi-restraints excluded: chain A residue 1648 MET Chi-restraints excluded: chain A residue 1649 ASP Chi-restraints excluded: chain A residue 1652 GLU Chi-restraints excluded: chain A residue 1654 SER Chi-restraints excluded: chain A residue 1657 LEU Chi-restraints excluded: chain A residue 1666 THR Chi-restraints excluded: chain A residue 1673 VAL Chi-restraints excluded: chain A residue 1679 ASN Chi-restraints excluded: chain A residue 1694 LEU Chi-restraints excluded: chain A residue 1695 LEU Chi-restraints excluded: chain A residue 1699 GLU Chi-restraints excluded: chain A residue 1700 ASP Chi-restraints excluded: chain A residue 1703 LEU Chi-restraints excluded: chain A residue 1707 LEU Chi-restraints excluded: chain A residue 1713 ASP Chi-restraints excluded: chain A residue 1720 LEU Chi-restraints excluded: chain A residue 1731 LEU Chi-restraints excluded: chain A residue 1738 LEU Chi-restraints excluded: chain A residue 1739 THR Chi-restraints excluded: chain A residue 1743 ARG Chi-restraints excluded: chain A residue 1760 HIS Chi-restraints excluded: chain A residue 1768 THR Chi-restraints excluded: chain A residue 1770 SER Chi-restraints excluded: chain A residue 1772 ARG Chi-restraints excluded: chain A residue 1778 SER Chi-restraints excluded: chain A residue 1786 LEU Chi-restraints excluded: chain A residue 1798 LEU Chi-restraints excluded: chain A residue 1839 VAL Chi-restraints excluded: chain A residue 1848 LEU Chi-restraints excluded: chain A residue 1850 VAL Chi-restraints excluded: chain A residue 1853 ILE Chi-restraints excluded: chain A residue 1856 ASP Chi-restraints excluded: chain A residue 1857 GLU Chi-restraints excluded: chain A residue 1861 GLN Chi-restraints excluded: chain A residue 1870 VAL Chi-restraints excluded: chain A residue 1928 GLN Chi-restraints excluded: chain A residue 1939 MET Chi-restraints excluded: chain A residue 1942 LEU Chi-restraints excluded: chain A residue 1943 LEU Chi-restraints excluded: chain A residue 1944 GLU Chi-restraints excluded: chain A residue 1947 CYS Chi-restraints excluded: chain A residue 1951 LEU Chi-restraints excluded: chain A residue 1958 LEU Chi-restraints excluded: chain A residue 1963 GLU Chi-restraints excluded: chain A residue 1966 VAL Chi-restraints excluded: chain A residue 1968 LYS Chi-restraints excluded: chain A residue 1976 ARG Chi-restraints excluded: chain A residue 1996 ARG Chi-restraints excluded: chain A residue 1997 GLU Chi-restraints excluded: chain A residue 2030 ASP Chi-restraints excluded: chain A residue 2031 LEU Chi-restraints excluded: chain A residue 2034 PHE Chi-restraints excluded: chain A residue 2035 HIS Chi-restraints excluded: chain A residue 2095 GLN Chi-restraints excluded: chain A residue 2098 VAL Chi-restraints excluded: chain A residue 2101 MET Chi-restraints excluded: chain A residue 2102 VAL Chi-restraints excluded: chain A residue 2103 VAL Chi-restraints excluded: chain A residue 2104 ARG Chi-restraints excluded: chain A residue 2115 GLU Chi-restraints excluded: chain A residue 2117 VAL Chi-restraints excluded: chain A residue 2118 ARG Chi-restraints excluded: chain A residue 2120 MET Chi-restraints excluded: chain A residue 2122 SER Chi-restraints excluded: chain A residue 2125 HIS Chi-restraints excluded: chain A residue 2138 LEU Chi-restraints excluded: chain A residue 2143 THR Chi-restraints excluded: chain A residue 2148 SER Chi-restraints excluded: chain A residue 2150 GLU Chi-restraints excluded: chain A residue 2155 LEU Chi-restraints excluded: chain A residue 2164 SER Chi-restraints excluded: chain A residue 2166 LEU Chi-restraints excluded: chain A residue 2169 GLN Chi-restraints excluded: chain A residue 2184 ASN Chi-restraints excluded: chain A residue 2185 ILE Chi-restraints excluded: chain A residue 2186 MET Chi-restraints excluded: chain A residue 2187 ASN Chi-restraints excluded: chain A residue 2188 ASN Chi-restraints excluded: chain A residue 2189 LYS Chi-restraints excluded: chain A residue 2193 GLN Chi-restraints excluded: chain A residue 2203 MET Chi-restraints excluded: chain A residue 2207 VAL Chi-restraints excluded: chain A residue 2225 PHE Chi-restraints excluded: chain A residue 2228 MET Chi-restraints excluded: chain A residue 2229 VAL Chi-restraints excluded: chain A residue 2232 CYS Chi-restraints excluded: chain A residue 2237 CYS Chi-restraints excluded: chain A residue 2246 ASN Chi-restraints excluded: chain A residue 2254 LEU Chi-restraints excluded: chain A residue 2258 LEU Chi-restraints excluded: chain A residue 2260 ASN Chi-restraints excluded: chain A residue 2275 VAL Chi-restraints excluded: chain A residue 2279 SER Chi-restraints excluded: chain A residue 2280 VAL Chi-restraints excluded: chain A residue 2291 GLN Chi-restraints excluded: chain A residue 2292 GLU Chi-restraints excluded: chain A residue 2298 VAL Chi-restraints excluded: chain A residue 2318 TYR Chi-restraints excluded: chain A residue 2330 ARG Chi-restraints excluded: chain A residue 2334 PHE Chi-restraints excluded: chain A residue 2341 VAL Chi-restraints excluded: chain A residue 2346 VAL Chi-restraints excluded: chain A residue 2348 GLU Chi-restraints excluded: chain A residue 2349 ASN Chi-restraints excluded: chain A residue 2353 VAL Chi-restraints excluded: chain A residue 2356 LEU Chi-restraints excluded: chain A residue 2357 LEU Chi-restraints excluded: chain A residue 2358 ILE Chi-restraints excluded: chain A residue 2368 LEU Chi-restraints excluded: chain A residue 2376 LEU Chi-restraints excluded: chain A residue 2377 LEU Chi-restraints excluded: chain A residue 2380 ILE Chi-restraints excluded: chain A residue 2418 LEU Chi-restraints excluded: chain A residue 2432 LEU Chi-restraints excluded: chain A residue 2433 LEU Chi-restraints excluded: chain A residue 2454 ARG Chi-restraints excluded: chain A residue 2457 LEU Chi-restraints excluded: chain A residue 2460 LEU Chi-restraints excluded: chain A residue 2463 LEU Chi-restraints excluded: chain A residue 2472 LEU Chi-restraints excluded: chain A residue 2756 ASN Chi-restraints excluded: chain A residue 2773 ASN Chi-restraints excluded: chain A residue 2790 MET Chi-restraints excluded: chain A residue 2792 ARG Chi-restraints excluded: chain A residue 2809 ILE Chi-restraints excluded: chain A residue 2811 GLU Chi-restraints excluded: chain A residue 2816 MET Chi-restraints excluded: chain A residue 2821 TRP Chi-restraints excluded: chain A residue 2855 TYR Chi-restraints excluded: chain A residue 2856 ASN Chi-restraints excluded: chain A residue 2867 LEU Chi-restraints excluded: chain A residue 2868 SER Chi-restraints excluded: chain A residue 2881 ASN Chi-restraints excluded: chain A residue 2888 ARG Chi-restraints excluded: chain A residue 2906 VAL Chi-restraints excluded: chain A residue 2910 THR Chi-restraints excluded: chain A residue 2911 LEU Chi-restraints excluded: chain A residue 2929 PHE Chi-restraints excluded: chain A residue 2935 TYR Chi-restraints excluded: chain A residue 2938 THR Chi-restraints excluded: chain A residue 3639 THR Chi-restraints excluded: chain A residue 3646 THR Chi-restraints excluded: chain A residue 3651 ASN Chi-restraints excluded: chain A residue 3652 MET Chi-restraints excluded: chain A residue 3661 TRP Chi-restraints excluded: chain A residue 3663 LEU Chi-restraints excluded: chain A residue 3665 GLU Chi-restraints excluded: chain A residue 3666 ASP Chi-restraints excluded: chain A residue 3669 PHE Chi-restraints excluded: chain A residue 3676 ASP Chi-restraints excluded: chain A residue 3679 LYS Chi-restraints excluded: chain A residue 3697 PRO Chi-restraints excluded: chain A residue 3702 VAL Chi-restraints excluded: chain A residue 3708 THR Chi-restraints excluded: chain A residue 3711 THR Chi-restraints excluded: chain A residue 3714 SER Chi-restraints excluded: chain A residue 3718 GLU Chi-restraints excluded: chain A residue 3720 TYR Chi-restraints excluded: chain A residue 3725 TYR Chi-restraints excluded: chain A residue 3727 ASP Chi-restraints excluded: chain A residue 3732 SER Chi-restraints excluded: chain A residue 3753 PHE Chi-restraints excluded: chain A residue 3763 LEU Chi-restraints excluded: chain A residue 3773 ARG Chi-restraints excluded: chain A residue 3780 LEU Chi-restraints excluded: chain A residue 3786 CYS Chi-restraints excluded: chain A residue 3787 LYS Chi-restraints excluded: chain A residue 3790 THR Chi-restraints excluded: chain A residue 3796 SER Chi-restraints excluded: chain A residue 3797 THR Chi-restraints excluded: chain A residue 3802 ILE Chi-restraints excluded: chain A residue 3811 GLU Chi-restraints excluded: chain A residue 3812 VAL Chi-restraints excluded: chain A residue 3816 MET Chi-restraints excluded: chain A residue 3822 ASP Chi-restraints excluded: chain A residue 3828 PHE Chi-restraints excluded: chain A residue 3838 THR Chi-restraints excluded: chain A residue 3843 ASP Chi-restraints excluded: chain A residue 3844 LEU Chi-restraints excluded: chain A residue 3881 THR Chi-restraints excluded: chain A residue 3882 GLN Chi-restraints excluded: chain A residue 3883 ASP Chi-restraints excluded: chain A residue 3884 LEU Chi-restraints excluded: chain A residue 3890 LEU Chi-restraints excluded: chain A residue 3891 LEU Chi-restraints excluded: chain A residue 3895 HIS Chi-restraints excluded: chain A residue 3900 GLN Chi-restraints excluded: chain A residue 3907 THR Chi-restraints excluded: chain A residue 3909 ASN Chi-restraints excluded: chain A residue 3913 ILE Chi-restraints excluded: chain A residue 3915 ILE Chi-restraints excluded: chain A residue 3916 ILE Chi-restraints excluded: chain A residue 3920 VAL Chi-restraints excluded: chain A residue 3924 LEU Chi-restraints excluded: chain A residue 3927 GLN Chi-restraints excluded: chain A residue 3929 SER Chi-restraints excluded: chain A residue 3931 SER Chi-restraints excluded: chain A residue 3932 ASP Chi-restraints excluded: chain A residue 3937 TYR Chi-restraints excluded: chain A residue 3944 GLU Chi-restraints excluded: chain A residue 3946 GLN Chi-restraints excluded: chain A residue 3953 LYS Chi-restraints excluded: chain A residue 3957 VAL Chi-restraints excluded: chain A residue 3959 LYS Chi-restraints excluded: chain A residue 3964 SER Chi-restraints excluded: chain A residue 3969 ILE Chi-restraints excluded: chain A residue 3974 THR Chi-restraints excluded: chain A residue 3979 SER Chi-restraints excluded: chain A residue 3982 HIS Chi-restraints excluded: chain A residue 3985 LEU Chi-restraints excluded: chain A residue 3986 TRP Chi-restraints excluded: chain A residue 3987 ASP Chi-restraints excluded: chain A residue 3990 VAL Chi-restraints excluded: chain A residue 3996 PHE Chi-restraints excluded: chain A residue 4013 LEU Chi-restraints excluded: chain A residue 4020 GLN Chi-restraints excluded: chain A residue 4022 ASP Chi-restraints excluded: chain A residue 4023 MET Chi-restraints excluded: chain A residue 4025 VAL Chi-restraints excluded: chain A residue 4034 ASN Chi-restraints excluded: chain A residue 4035 VAL Chi-restraints excluded: chain A residue 4036 VAL Chi-restraints excluded: chain A residue 4039 MET Chi-restraints excluded: chain A residue 4044 MET Chi-restraints excluded: chain A residue 4045 VAL Chi-restraints excluded: chain A residue 4046 ASP Chi-restraints excluded: chain A residue 4049 VAL Chi-restraints excluded: chain A residue 4055 VAL Chi-restraints excluded: chain A residue 4066 LEU Chi-restraints excluded: chain A residue 4070 ASP Chi-restraints excluded: chain A residue 4090 LYS Chi-restraints excluded: chain A residue 4095 LYS Chi-restraints excluded: chain A residue 4102 GLN Chi-restraints excluded: chain A residue 4109 GLN Chi-restraints excluded: chain A residue 4121 GLU Chi-restraints excluded: chain A residue 4128 PHE Chi-restraints excluded: chain A residue 4133 GLN Chi-restraints excluded: chain A residue 4139 ILE Chi-restraints excluded: chain A residue 4143 VAL Chi-restraints excluded: chain A residue 4150 LEU Chi-restraints excluded: chain A residue 4151 SER Chi-restraints excluded: chain A residue 4157 ASP Chi-restraints excluded: chain A residue 4159 ARG Chi-restraints excluded: chain A residue 4160 LEU Chi-restraints excluded: chain A residue 4162 ASN Chi-restraints excluded: chain A residue 4164 LEU Chi-restraints excluded: chain A residue 4166 LEU Chi-restraints excluded: chain A residue 4178 LEU Chi-restraints excluded: chain A residue 4181 ILE Chi-restraints excluded: chain A residue 4200 THR Chi-restraints excluded: chain A residue 4205 TRP Chi-restraints excluded: chain A residue 4212 GLU Chi-restraints excluded: chain A residue 4231 MET Chi-restraints excluded: chain A residue 4237 PHE Chi-restraints excluded: chain A residue 4238 CYS Chi-restraints excluded: chain A residue 4244 GLU Chi-restraints excluded: chain A residue 4251 ILE Chi-restraints excluded: chain A residue 4252 SER Chi-restraints excluded: chain A residue 4549 VAL Chi-restraints excluded: chain A residue 4558 ASN Chi-restraints excluded: chain A residue 4559 PHE Chi-restraints excluded: chain A residue 4565 LEU Chi-restraints excluded: chain A residue 4573 ILE Chi-restraints excluded: chain A residue 4577 LEU Chi-restraints excluded: chain A residue 4630 TYR Chi-restraints excluded: chain A residue 4631 PHE Chi-restraints excluded: chain A residue 4632 LEU Chi-restraints excluded: chain A residue 4635 SER Chi-restraints excluded: chain A residue 4638 TYR Chi-restraints excluded: chain A residue 4640 GLU Chi-restraints excluded: chain A residue 4643 LEU Chi-restraints excluded: chain A residue 4646 LEU Chi-restraints excluded: chain A residue 4649 LEU Chi-restraints excluded: chain A residue 4651 THR Chi-restraints excluded: chain A residue 4652 LEU Chi-restraints excluded: chain A residue 4653 VAL Chi-restraints excluded: chain A residue 4656 LEU Chi-restraints excluded: chain A residue 4657 CYS Chi-restraints excluded: chain A residue 4666 VAL Chi-restraints excluded: chain A residue 4668 LEU Chi-restraints excluded: chain A residue 4671 PHE Chi-restraints excluded: chain A residue 4676 GLU Chi-restraints excluded: chain A residue 4677 LEU Chi-restraints excluded: chain A residue 4684 ASP Chi-restraints excluded: chain A residue 4686 LEU Chi-restraints excluded: chain A residue 4688 ILE Chi-restraints excluded: chain A residue 4691 GLN Chi-restraints excluded: chain A residue 4701 TRP Chi-restraints excluded: chain A residue 4714 ASN Chi-restraints excluded: chain A residue 4723 LYS Chi-restraints excluded: chain A residue 4731 ILE Chi-restraints excluded: chain A residue 4739 GLU Chi-restraints excluded: chain A residue 4747 SER Chi-restraints excluded: chain A residue 4770 SER Chi-restraints excluded: chain A residue 4774 LYS Chi-restraints excluded: chain A residue 4780 PHE Chi-restraints excluded: chain A residue 4783 ILE Chi-restraints excluded: chain A residue 4786 ASP Chi-restraints excluded: chain A residue 4794 TRP Chi-restraints excluded: chain A residue 4797 VAL Chi-restraints excluded: chain A residue 4800 LEU Chi-restraints excluded: chain A residue 4807 PHE Chi-restraints excluded: chain A residue 4814 LEU Chi-restraints excluded: chain A residue 4818 MET Chi-restraints excluded: chain A residue 4822 THR Chi-restraints excluded: chain A residue 4827 LEU Chi-restraints excluded: chain A residue 4836 GLN Chi-restraints excluded: chain A residue 4838 VAL Chi-restraints excluded: chain A residue 4849 TYR Chi-restraints excluded: chain A residue 4852 THR Chi-restraints excluded: chain A residue 4854 VAL Chi-restraints excluded: chain A residue 4864 ASN Chi-restraints excluded: chain A residue 4867 GLU Chi-restraints excluded: chain A residue 4877 ASP Chi-restraints excluded: chain A residue 4901 ILE Chi-restraints excluded: chain A residue 4904 PRO Chi-restraints excluded: chain A residue 4913 ARG Chi-restraints excluded: chain A residue 4915 VAL Chi-restraints excluded: chain A residue 4918 ILE Chi-restraints excluded: chain A residue 4919 THR Chi-restraints excluded: chain A residue 4920 PHE Chi-restraints excluded: chain A residue 4921 PHE Chi-restraints excluded: chain A residue 4936 ILE Chi-restraints excluded: chain A residue 4945 ASP Chi-restraints excluded: chain A residue 4950 VAL Chi-restraints excluded: chain A residue 4959 PHE Chi-restraints excluded: chain A residue 4976 GLU Chi-restraints excluded: chain A residue 4983 HIS Chi-restraints excluded: chain A residue 4985 LEU Chi-restraints excluded: chain A residue 4990 PHE Chi-restraints excluded: chain A residue 4994 TYR Chi-restraints excluded: chain A residue 4999 ASP Chi-restraints excluded: chain A residue 5010 VAL Chi-restraints excluded: chain A residue 5014 TYR Chi-restraints excluded: chain A residue 5016 GLU Chi-restraints excluded: chain A residue 5020 ASP Chi-restraints excluded: chain A residue 5027 CYS Chi-restraints excluded: chain B residue 12 GLN Chi-restraints excluded: chain B residue 15 ARG Chi-restraints excluded: chain B residue 16 THR Chi-restraints excluded: chain B residue 17 ASP Chi-restraints excluded: chain B residue 18 ASP Chi-restraints excluded: chain B residue 29 LEU Chi-restraints excluded: chain B residue 32 GLN Chi-restraints excluded: chain B residue 40 GLU Chi-restraints excluded: chain B residue 44 ASN Chi-restraints excluded: chain B residue 66 CYS Chi-restraints excluded: chain B residue 67 PHE Chi-restraints excluded: chain B residue 70 GLU Chi-restraints excluded: chain B residue 71 GLN Chi-restraints excluded: chain B residue 73 LEU Chi-restraints excluded: chain B residue 75 VAL Chi-restraints excluded: chain B residue 76 ARG Chi-restraints excluded: chain B residue 78 LEU Chi-restraints excluded: chain B residue 81 MET Chi-restraints excluded: chain B residue 100 THR Chi-restraints excluded: chain B residue 102 LEU Chi-restraints excluded: chain B residue 111 HIS Chi-restraints excluded: chain B residue 113 HIS Chi-restraints excluded: chain B residue 121 LEU Chi-restraints excluded: chain B residue 123 THR Chi-restraints excluded: chain B residue 134 ASP Chi-restraints excluded: chain B residue 135 VAL Chi-restraints excluded: chain B residue 144 GLU Chi-restraints excluded: chain B residue 149 THR Chi-restraints excluded: chain B residue 152 PRO Chi-restraints excluded: chain B residue 156 GLN Chi-restraints excluded: chain B residue 163 VAL Chi-restraints excluded: chain B residue 164 ARG Chi-restraints excluded: chain B residue 165 VAL Chi-restraints excluded: chain B residue 169 LEU Chi-restraints excluded: chain B residue 173 SER Chi-restraints excluded: chain B residue 176 SER Chi-restraints excluded: chain B residue 179 TYR Chi-restraints excluded: chain B residue 181 HIS Chi-restraints excluded: chain B residue 191 VAL Chi-restraints excluded: chain B residue 205 ILE Chi-restraints excluded: chain B residue 208 CYS Chi-restraints excluded: chain B residue 210 GLU Chi-restraints excluded: chain B residue 211 GLU Chi-restraints excluded: chain B residue 222 LEU Chi-restraints excluded: chain B residue 244 LEU Chi-restraints excluded: chain B residue 246 TYR Chi-restraints excluded: chain B residue 247 TYR Chi-restraints excluded: chain B residue 257 ARG Chi-restraints excluded: chain B residue 262 LEU Chi-restraints excluded: chain B residue 270 SER Chi-restraints excluded: chain B residue 282 ILE Chi-restraints excluded: chain B residue 283 ARG Chi-restraints excluded: chain B residue 286 THR Chi-restraints excluded: chain B residue 289 ARG Chi-restraints excluded: chain B residue 293 LEU Chi-restraints excluded: chain B residue 294 THR Chi-restraints excluded: chain B residue 301 VAL Chi-restraints excluded: chain B residue 303 ASP Chi-restraints excluded: chain B residue 313 SER Chi-restraints excluded: chain B residue 315 CYS Chi-restraints excluded: chain B residue 343 GLU Chi-restraints excluded: chain B residue 345 LEU Chi-restraints excluded: chain B residue 355 LEU Chi-restraints excluded: chain B residue 358 THR Chi-restraints excluded: chain B residue 359 TYR Chi-restraints excluded: chain B residue 373 LYS Chi-restraints excluded: chain B residue 390 LEU Chi-restraints excluded: chain B residue 396 GLU Chi-restraints excluded: chain B residue 397 GLU Chi-restraints excluded: chain B residue 403 MET Chi-restraints excluded: chain B residue 415 ILE Chi-restraints excluded: chain B residue 438 ILE Chi-restraints excluded: chain B residue 439 GLU Chi-restraints excluded: chain B residue 442 ILE Chi-restraints excluded: chain B residue 447 ASP Chi-restraints excluded: chain B residue 452 PHE Chi-restraints excluded: chain B residue 459 LEU Chi-restraints excluded: chain B residue 462 GLU Chi-restraints excluded: chain B residue 463 GLU Chi-restraints excluded: chain B residue 471 LEU Chi-restraints excluded: chain B residue 475 GLN Chi-restraints excluded: chain B residue 483 MET Chi-restraints excluded: chain B residue 485 SER Chi-restraints excluded: chain B residue 486 LEU Chi-restraints excluded: chain B residue 487 VAL Chi-restraints excluded: chain B residue 488 LEU Chi-restraints excluded: chain B residue 491 ILE Chi-restraints excluded: chain B residue 497 TYR Chi-restraints excluded: chain B residue 506 TYR Chi-restraints excluded: chain B residue 510 GLU Chi-restraints excluded: chain B residue 513 GLU Chi-restraints excluded: chain B residue 514 SER Chi-restraints excluded: chain B residue 517 GLU Chi-restraints excluded: chain B residue 519 VAL Chi-restraints excluded: chain B residue 521 LEU Chi-restraints excluded: chain B residue 526 LEU Chi-restraints excluded: chain B residue 530 ILE Chi-restraints excluded: chain B residue 533 ASN Chi-restraints excluded: chain B residue 536 ASN Chi-restraints excluded: chain B residue 539 LEU Chi-restraints excluded: chain B residue 540 PHE Chi-restraints excluded: chain B residue 541 SER Chi-restraints excluded: chain B residue 547 VAL Chi-restraints excluded: chain B residue 561 LEU Chi-restraints excluded: chain B residue 563 VAL Chi-restraints excluded: chain B residue 564 LEU Chi-restraints excluded: chain B residue 569 ILE Chi-restraints excluded: chain B residue 575 LEU Chi-restraints excluded: chain B residue 579 GLN Chi-restraints excluded: chain B residue 581 ASN Chi-restraints excluded: chain B residue 582 HIS Chi-restraints excluded: chain B residue 586 ILE Chi-restraints excluded: chain B residue 590 LEU Chi-restraints excluded: chain B residue 591 ASP Chi-restraints excluded: chain B residue 599 VAL Chi-restraints excluded: chain B residue 605 SER Chi-restraints excluded: chain B residue 609 CYS Chi-restraints excluded: chain B residue 625 LEU Chi-restraints excluded: chain B residue 631 LEU Chi-restraints excluded: chain B residue 635 THR Chi-restraints excluded: chain B residue 638 ILE Chi-restraints excluded: chain B residue 642 THR Chi-restraints excluded: chain B residue 663 TYR Chi-restraints excluded: chain B residue 665 GLU Chi-restraints excluded: chain B residue 667 MET Chi-restraints excluded: chain B residue 669 ASP Chi-restraints excluded: chain B residue 695 TYR Chi-restraints excluded: chain B residue 702 TRP Chi-restraints excluded: chain B residue 709 ASP Chi-restraints excluded: chain B residue 712 TYR Chi-restraints excluded: chain B residue 714 TYR Chi-restraints excluded: chain B residue 737 LEU Chi-restraints excluded: chain B residue 748 LEU Chi-restraints excluded: chain B residue 751 SER Chi-restraints excluded: chain B residue 752 VAL Chi-restraints excluded: chain B residue 754 SER Chi-restraints excluded: chain B residue 756 SER Chi-restraints excluded: chain B residue 771 PHE Chi-restraints excluded: chain B residue 783 PHE Chi-restraints excluded: chain B residue 792 LEU Chi-restraints excluded: chain B residue 815 VAL Chi-restraints excluded: chain B residue 822 ARG Chi-restraints excluded: chain B residue 829 TYR Chi-restraints excluded: chain B residue 839 LEU Chi-restraints excluded: chain B residue 867 LEU Chi-restraints excluded: chain B residue 869 ARG Chi-restraints excluded: chain B residue 886 ARG Chi-restraints excluded: chain B residue 896 VAL Chi-restraints excluded: chain B residue 900 ASN Chi-restraints excluded: chain B residue 908 VAL Chi-restraints excluded: chain B residue 923 GLN Chi-restraints excluded: chain B residue 928 THR Chi-restraints excluded: chain B residue 948 ASP Chi-restraints excluded: chain B residue 960 MET Chi-restraints excluded: chain B residue 961 MET Chi-restraints excluded: chain B residue 965 TYR Chi-restraints excluded: chain B residue 971 ASP Chi-restraints excluded: chain B residue 972 LEU Chi-restraints excluded: chain B residue 974 HIS Chi-restraints excluded: chain B residue 978 THR Chi-restraints excluded: chain B residue 1036 ARG Chi-restraints excluded: chain B residue 1037 ASP Chi-restraints excluded: chain B residue 1039 LEU Chi-restraints excluded: chain B residue 1072 VAL Chi-restraints excluded: chain B residue 1078 GLU Chi-restraints excluded: chain B residue 1081 TYR Chi-restraints excluded: chain B residue 1087 ARG Chi-restraints excluded: chain B residue 1101 ARG Chi-restraints excluded: chain B residue 1108 GLU Chi-restraints excluded: chain B residue 1120 LEU Chi-restraints excluded: chain B residue 1127 HIS Chi-restraints excluded: chain B residue 1132 TRP Chi-restraints excluded: chain B residue 1133 HIS Chi-restraints excluded: chain B residue 1134 LEU Chi-restraints excluded: chain B residue 1139 PHE Chi-restraints excluded: chain B residue 1143 TRP Chi-restraints excluded: chain B residue 1158 ASN Chi-restraints excluded: chain B residue 1163 THR Chi-restraints excluded: chain B residue 1169 LEU Chi-restraints excluded: chain B residue 1172 ASP Chi-restraints excluded: chain B residue 1184 ILE Chi-restraints excluded: chain B residue 1191 VAL Chi-restraints excluded: chain B residue 1201 HIS Chi-restraints excluded: chain B residue 1203 ASN Chi-restraints excluded: chain B residue 1204 LEU Chi-restraints excluded: chain B residue 1216 ILE Chi-restraints excluded: chain B residue 1235 THR Chi-restraints excluded: chain B residue 1240 LYS Chi-restraints excluded: chain B residue 1242 LEU Chi-restraints excluded: chain B residue 1245 PHE Chi-restraints excluded: chain B residue 1248 VAL Chi-restraints excluded: chain B residue 1251 GLU Chi-restraints excluded: chain B residue 1254 HIS Chi-restraints excluded: chain B residue 1266 THR Chi-restraints excluded: chain B residue 1272 LEU Chi-restraints excluded: chain B residue 1575 LEU Chi-restraints excluded: chain B residue 1595 LEU Chi-restraints excluded: chain B residue 1597 VAL Chi-restraints excluded: chain B residue 1600 LEU Chi-restraints excluded: chain B residue 1601 MET Chi-restraints excluded: chain B residue 1605 TRP Chi-restraints excluded: chain B residue 1636 MET Chi-restraints excluded: chain B residue 1639 LEU Chi-restraints excluded: chain B residue 1641 ILE Chi-restraints excluded: chain B residue 1648 MET Chi-restraints excluded: chain B residue 1649 ASP Chi-restraints excluded: chain B residue 1652 GLU Chi-restraints excluded: chain B residue 1654 SER Chi-restraints excluded: chain B residue 1657 LEU Chi-restraints excluded: chain B residue 1658 ASP Chi-restraints excluded: chain B residue 1666 THR Chi-restraints excluded: chain B residue 1673 VAL Chi-restraints excluded: chain B residue 1679 ASN Chi-restraints excluded: chain B residue 1694 LEU Chi-restraints excluded: chain B residue 1695 LEU Chi-restraints excluded: chain B residue 1699 GLU Chi-restraints excluded: chain B residue 1700 ASP Chi-restraints excluded: chain B residue 1703 LEU Chi-restraints excluded: chain B residue 1707 LEU Chi-restraints excluded: chain B residue 1713 ASP Chi-restraints excluded: chain B residue 1720 LEU Chi-restraints excluded: chain B residue 1731 LEU Chi-restraints excluded: chain B residue 1738 LEU Chi-restraints excluded: chain B residue 1739 THR Chi-restraints excluded: chain B residue 1743 ARG Chi-restraints excluded: chain B residue 1760 HIS Chi-restraints excluded: chain B residue 1768 THR Chi-restraints excluded: chain B residue 1770 SER Chi-restraints excluded: chain B residue 1772 ARG Chi-restraints excluded: chain B residue 1778 SER Chi-restraints excluded: chain B residue 1786 LEU Chi-restraints excluded: chain B residue 1798 LEU Chi-restraints excluded: chain B residue 1830 VAL Chi-restraints excluded: chain B residue 1839 VAL Chi-restraints excluded: chain B residue 1848 LEU Chi-restraints excluded: chain B residue 1850 VAL Chi-restraints excluded: chain B residue 1853 ILE Chi-restraints excluded: chain B residue 1856 ASP Chi-restraints excluded: chain B residue 1857 GLU Chi-restraints excluded: chain B residue 1861 GLN Chi-restraints excluded: chain B residue 1870 VAL Chi-restraints excluded: chain B residue 1928 GLN Chi-restraints excluded: chain B residue 1939 MET Chi-restraints excluded: chain B residue 1942 LEU Chi-restraints excluded: chain B residue 1943 LEU Chi-restraints excluded: chain B residue 1944 GLU Chi-restraints excluded: chain B residue 1947 CYS Chi-restraints excluded: chain B residue 1951 LEU Chi-restraints excluded: chain B residue 1958 LEU Chi-restraints excluded: chain B residue 1963 GLU Chi-restraints excluded: chain B residue 1966 VAL Chi-restraints excluded: chain B residue 1968 LYS Chi-restraints excluded: chain B residue 1976 ARG Chi-restraints excluded: chain B residue 1996 ARG Chi-restraints excluded: chain B residue 1997 GLU Chi-restraints excluded: chain B residue 2030 ASP Chi-restraints excluded: chain B residue 2031 LEU Chi-restraints excluded: chain B residue 2034 PHE Chi-restraints excluded: chain B residue 2035 HIS Chi-restraints excluded: chain B residue 2095 GLN Chi-restraints excluded: chain B residue 2098 VAL Chi-restraints excluded: chain B residue 2101 MET Chi-restraints excluded: chain B residue 2102 VAL Chi-restraints excluded: chain B residue 2103 VAL Chi-restraints excluded: chain B residue 2104 ARG Chi-restraints excluded: chain B residue 2115 GLU Chi-restraints excluded: chain B residue 2117 VAL Chi-restraints excluded: chain B residue 2118 ARG Chi-restraints excluded: chain B residue 2120 MET Chi-restraints excluded: chain B residue 2122 SER Chi-restraints excluded: chain B residue 2125 HIS Chi-restraints excluded: chain B residue 2138 LEU Chi-restraints excluded: chain B residue 2143 THR Chi-restraints excluded: chain B residue 2148 SER Chi-restraints excluded: chain B residue 2150 GLU Chi-restraints excluded: chain B residue 2155 LEU Chi-restraints excluded: chain B residue 2164 SER Chi-restraints excluded: chain B residue 2166 LEU Chi-restraints excluded: chain B residue 2169 GLN Chi-restraints excluded: chain B residue 2185 ILE Chi-restraints excluded: chain B residue 2186 MET Chi-restraints excluded: chain B residue 2187 ASN Chi-restraints excluded: chain B residue 2189 LYS Chi-restraints excluded: chain B residue 2193 GLN Chi-restraints excluded: chain B residue 2203 MET Chi-restraints excluded: chain B residue 2204 HIS Chi-restraints excluded: chain B residue 2207 VAL Chi-restraints excluded: chain B residue 2225 PHE Chi-restraints excluded: chain B residue 2228 MET Chi-restraints excluded: chain B residue 2229 VAL Chi-restraints excluded: chain B residue 2232 CYS Chi-restraints excluded: chain B residue 2237 CYS Chi-restraints excluded: chain B residue 2246 ASN Chi-restraints excluded: chain B residue 2248 ARG Chi-restraints excluded: chain B residue 2254 LEU Chi-restraints excluded: chain B residue 2258 LEU Chi-restraints excluded: chain B residue 2260 ASN Chi-restraints excluded: chain B residue 2271 THR Chi-restraints excluded: chain B residue 2275 VAL Chi-restraints excluded: chain B residue 2279 SER Chi-restraints excluded: chain B residue 2280 VAL Chi-restraints excluded: chain B residue 2291 GLN Chi-restraints excluded: chain B residue 2292 GLU Chi-restraints excluded: chain B residue 2298 VAL Chi-restraints excluded: chain B residue 2318 TYR Chi-restraints excluded: chain B residue 2330 ARG Chi-restraints excluded: chain B residue 2334 PHE Chi-restraints excluded: chain B residue 2340 PHE Chi-restraints excluded: chain B residue 2348 GLU Chi-restraints excluded: chain B residue 2349 ASN Chi-restraints excluded: chain B residue 2353 VAL Chi-restraints excluded: chain B residue 2354 VAL Chi-restraints excluded: chain B residue 2356 LEU Chi-restraints excluded: chain B residue 2357 LEU Chi-restraints excluded: chain B residue 2358 ILE Chi-restraints excluded: chain B residue 2368 LEU Chi-restraints excluded: chain B residue 2376 LEU Chi-restraints excluded: chain B residue 2377 LEU Chi-restraints excluded: chain B residue 2380 ILE Chi-restraints excluded: chain B residue 2418 LEU Chi-restraints excluded: chain B residue 2432 LEU Chi-restraints excluded: chain B residue 2454 ARG Chi-restraints excluded: chain B residue 2457 LEU Chi-restraints excluded: chain B residue 2460 LEU Chi-restraints excluded: chain B residue 2463 LEU Chi-restraints excluded: chain B residue 2472 LEU Chi-restraints excluded: chain B residue 2744 ASN Chi-restraints excluded: chain B residue 2756 ASN Chi-restraints excluded: chain B residue 2773 ASN Chi-restraints excluded: chain B residue 2790 MET Chi-restraints excluded: chain B residue 2792 ARG Chi-restraints excluded: chain B residue 2809 ILE Chi-restraints excluded: chain B residue 2811 GLU Chi-restraints excluded: chain B residue 2816 MET Chi-restraints excluded: chain B residue 2821 TRP Chi-restraints excluded: chain B residue 2855 TYR Chi-restraints excluded: chain B residue 2856 ASN Chi-restraints excluded: chain B residue 2867 LEU Chi-restraints excluded: chain B residue 2868 SER Chi-restraints excluded: chain B residue 2881 ASN Chi-restraints excluded: chain B residue 2888 ARG Chi-restraints excluded: chain B residue 2906 VAL Chi-restraints excluded: chain B residue 2910 THR Chi-restraints excluded: chain B residue 2911 LEU Chi-restraints excluded: chain B residue 2929 PHE Chi-restraints excluded: chain B residue 2935 TYR Chi-restraints excluded: chain B residue 2938 THR Chi-restraints excluded: chain B residue 3646 THR Chi-restraints excluded: chain B residue 3651 ASN Chi-restraints excluded: chain B residue 3652 MET Chi-restraints excluded: chain B residue 3661 TRP Chi-restraints excluded: chain B residue 3663 LEU Chi-restraints excluded: chain B residue 3665 GLU Chi-restraints excluded: chain B residue 3666 ASP Chi-restraints excluded: chain B residue 3669 PHE Chi-restraints excluded: chain B residue 3676 ASP Chi-restraints excluded: chain B residue 3679 LYS Chi-restraints excluded: chain B residue 3697 PRO Chi-restraints excluded: chain B residue 3701 LEU Chi-restraints excluded: chain B residue 3702 VAL Chi-restraints excluded: chain B residue 3708 THR Chi-restraints excluded: chain B residue 3711 THR Chi-restraints excluded: chain B residue 3714 SER Chi-restraints excluded: chain B residue 3718 GLU Chi-restraints excluded: chain B residue 3720 TYR Chi-restraints excluded: chain B residue 3725 TYR Chi-restraints excluded: chain B residue 3727 ASP Chi-restraints excluded: chain B residue 3732 SER Chi-restraints excluded: chain B residue 3753 PHE Chi-restraints excluded: chain B residue 3773 ARG Chi-restraints excluded: chain B residue 3780 LEU Chi-restraints excluded: chain B residue 3786 CYS Chi-restraints excluded: chain B residue 3787 LYS Chi-restraints excluded: chain B residue 3790 THR Chi-restraints excluded: chain B residue 3796 SER Chi-restraints excluded: chain B residue 3797 THR Chi-restraints excluded: chain B residue 3798 LEU Chi-restraints excluded: chain B residue 3802 ILE Chi-restraints excluded: chain B residue 3811 GLU Chi-restraints excluded: chain B residue 3816 MET Chi-restraints excluded: chain B residue 3822 ASP Chi-restraints excluded: chain B residue 3828 PHE Chi-restraints excluded: chain B residue 3838 THR Chi-restraints excluded: chain B residue 3843 ASP Chi-restraints excluded: chain B residue 3844 LEU Chi-restraints excluded: chain B residue 3881 THR Chi-restraints excluded: chain B residue 3882 GLN Chi-restraints excluded: chain B residue 3883 ASP Chi-restraints excluded: chain B residue 3884 LEU Chi-restraints excluded: chain B residue 3891 LEU Chi-restraints excluded: chain B residue 3895 HIS Chi-restraints excluded: chain B residue 3900 GLN Chi-restraints excluded: chain B residue 3907 THR Chi-restraints excluded: chain B residue 3909 ASN Chi-restraints excluded: chain B residue 3913 ILE Chi-restraints excluded: chain B residue 3915 ILE Chi-restraints excluded: chain B residue 3916 ILE Chi-restraints excluded: chain B residue 3920 VAL Chi-restraints excluded: chain B residue 3924 LEU Chi-restraints excluded: chain B residue 3927 GLN Chi-restraints excluded: chain B residue 3929 SER Chi-restraints excluded: chain B residue 3931 SER Chi-restraints excluded: chain B residue 3932 ASP Chi-restraints excluded: chain B residue 3937 TYR Chi-restraints excluded: chain B residue 3944 GLU Chi-restraints excluded: chain B residue 3946 GLN Chi-restraints excluded: chain B residue 3953 LYS Chi-restraints excluded: chain B residue 3957 VAL Chi-restraints excluded: chain B residue 3964 SER Chi-restraints excluded: chain B residue 3970 GLN Chi-restraints excluded: chain B residue 3974 THR Chi-restraints excluded: chain B residue 3979 SER Chi-restraints excluded: chain B residue 3982 HIS Chi-restraints excluded: chain B residue 3985 LEU Chi-restraints excluded: chain B residue 3986 TRP Chi-restraints excluded: chain B residue 3987 ASP Chi-restraints excluded: chain B residue 3990 VAL Chi-restraints excluded: chain B residue 3996 PHE Chi-restraints excluded: chain B residue 4013 LEU Chi-restraints excluded: chain B residue 4020 GLN Chi-restraints excluded: chain B residue 4022 ASP Chi-restraints excluded: chain B residue 4023 MET Chi-restraints excluded: chain B residue 4025 VAL Chi-restraints excluded: chain B residue 4034 ASN Chi-restraints excluded: chain B residue 4036 VAL Chi-restraints excluded: chain B residue 4039 MET Chi-restraints excluded: chain B residue 4044 MET Chi-restraints excluded: chain B residue 4045 VAL Chi-restraints excluded: chain B residue 4046 ASP Chi-restraints excluded: chain B residue 4049 VAL Chi-restraints excluded: chain B residue 4055 VAL Chi-restraints excluded: chain B residue 4066 LEU Chi-restraints excluded: chain B residue 4070 ASP Chi-restraints excluded: chain B residue 4090 LYS Chi-restraints excluded: chain B residue 4095 LYS Chi-restraints excluded: chain B residue 4102 GLN Chi-restraints excluded: chain B residue 4109 GLN Chi-restraints excluded: chain B residue 4121 GLU Chi-restraints excluded: chain B residue 4128 PHE Chi-restraints excluded: chain B residue 4133 GLN Chi-restraints excluded: chain B residue 4143 VAL Chi-restraints excluded: chain B residue 4150 LEU Chi-restraints excluded: chain B residue 4157 ASP Chi-restraints excluded: chain B residue 4159 ARG Chi-restraints excluded: chain B residue 4160 LEU Chi-restraints excluded: chain B residue 4162 ASN Chi-restraints excluded: chain B residue 4164 LEU Chi-restraints excluded: chain B residue 4166 LEU Chi-restraints excluded: chain B residue 4178 LEU Chi-restraints excluded: chain B residue 4181 ILE Chi-restraints excluded: chain B residue 4190 ILE Chi-restraints excluded: chain B residue 4195 PHE Chi-restraints excluded: chain B residue 4200 THR Chi-restraints excluded: chain B residue 4205 TRP Chi-restraints excluded: chain B residue 4212 GLU Chi-restraints excluded: chain B residue 4231 MET Chi-restraints excluded: chain B residue 4237 PHE Chi-restraints excluded: chain B residue 4238 CYS Chi-restraints excluded: chain B residue 4244 GLU Chi-restraints excluded: chain B residue 4245 MET Chi-restraints excluded: chain B residue 4251 ILE Chi-restraints excluded: chain B residue 4252 SER Chi-restraints excluded: chain B residue 4549 VAL Chi-restraints excluded: chain B residue 4558 ASN Chi-restraints excluded: chain B residue 4559 PHE Chi-restraints excluded: chain B residue 4565 LEU Chi-restraints excluded: chain B residue 4573 ILE Chi-restraints excluded: chain B residue 4577 LEU Chi-restraints excluded: chain B residue 4630 TYR Chi-restraints excluded: chain B residue 4631 PHE Chi-restraints excluded: chain B residue 4632 LEU Chi-restraints excluded: chain B residue 4635 SER Chi-restraints excluded: chain B residue 4638 TYR Chi-restraints excluded: chain B residue 4640 GLU Chi-restraints excluded: chain B residue 4643 LEU Chi-restraints excluded: chain B residue 4646 LEU Chi-restraints excluded: chain B residue 4649 LEU Chi-restraints excluded: chain B residue 4651 THR Chi-restraints excluded: chain B residue 4652 LEU Chi-restraints excluded: chain B residue 4653 VAL Chi-restraints excluded: chain B residue 4656 LEU Chi-restraints excluded: chain B residue 4657 CYS Chi-restraints excluded: chain B residue 4666 VAL Chi-restraints excluded: chain B residue 4668 LEU Chi-restraints excluded: chain B residue 4671 PHE Chi-restraints excluded: chain B residue 4676 GLU Chi-restraints excluded: chain B residue 4677 LEU Chi-restraints excluded: chain B residue 4684 ASP Chi-restraints excluded: chain B residue 4686 LEU Chi-restraints excluded: chain B residue 4688 ILE Chi-restraints excluded: chain B residue 4691 GLN Chi-restraints excluded: chain B residue 4701 TRP Chi-restraints excluded: chain B residue 4723 LYS Chi-restraints excluded: chain B residue 4731 ILE Chi-restraints excluded: chain B residue 4739 GLU Chi-restraints excluded: chain B residue 4747 SER Chi-restraints excluded: chain B residue 4770 SER Chi-restraints excluded: chain B residue 4774 LYS Chi-restraints excluded: chain B residue 4777 ILE Chi-restraints excluded: chain B residue 4780 PHE Chi-restraints excluded: chain B residue 4783 ILE Chi-restraints excluded: chain B residue 4786 ASP Chi-restraints excluded: chain B residue 4794 TRP Chi-restraints excluded: chain B residue 4797 VAL Chi-restraints excluded: chain B residue 4800 LEU Chi-restraints excluded: chain B residue 4807 PHE Chi-restraints excluded: chain B residue 4814 LEU Chi-restraints excluded: chain B residue 4818 MET Chi-restraints excluded: chain B residue 4822 THR Chi-restraints excluded: chain B residue 4827 LEU Chi-restraints excluded: chain B residue 4836 GLN Chi-restraints excluded: chain B residue 4838 VAL Chi-restraints excluded: chain B residue 4849 TYR Chi-restraints excluded: chain B residue 4852 THR Chi-restraints excluded: chain B residue 4854 VAL Chi-restraints excluded: chain B residue 4867 GLU Chi-restraints excluded: chain B residue 4877 ASP Chi-restraints excluded: chain B residue 4901 ILE Chi-restraints excluded: chain B residue 4904 PRO Chi-restraints excluded: chain B residue 4913 ARG Chi-restraints excluded: chain B residue 4915 VAL Chi-restraints excluded: chain B residue 4918 ILE Chi-restraints excluded: chain B residue 4919 THR Chi-restraints excluded: chain B residue 4920 PHE Chi-restraints excluded: chain B residue 4921 PHE Chi-restraints excluded: chain B residue 4936 ILE Chi-restraints excluded: chain B residue 4945 ASP Chi-restraints excluded: chain B residue 4950 VAL Chi-restraints excluded: chain B residue 4954 MET Chi-restraints excluded: chain B residue 4960 ILE Chi-restraints excluded: chain B residue 4961 CYS Chi-restraints excluded: chain B residue 4976 GLU Chi-restraints excluded: chain B residue 4983 HIS Chi-restraints excluded: chain B residue 4990 PHE Chi-restraints excluded: chain B residue 4991 PHE Chi-restraints excluded: chain B residue 4994 TYR Chi-restraints excluded: chain B residue 4996 ILE Chi-restraints excluded: chain B residue 5008 SER Chi-restraints excluded: chain B residue 5010 VAL Chi-restraints excluded: chain B residue 5014 TYR Chi-restraints excluded: chain B residue 5016 GLU Chi-restraints excluded: chain B residue 5020 ASP Chi-restraints excluded: chain B residue 5027 CYS Chi-restraints excluded: chain B residue 5030 LYS Chi-restraints excluded: chain C residue 12 GLN Chi-restraints excluded: chain C residue 14 LEU Chi-restraints excluded: chain C residue 15 ARG Chi-restraints excluded: chain C residue 16 THR Chi-restraints excluded: chain C residue 17 ASP Chi-restraints excluded: chain C residue 18 ASP Chi-restraints excluded: chain C residue 29 LEU Chi-restraints excluded: chain C residue 32 GLN Chi-restraints excluded: chain C residue 40 GLU Chi-restraints excluded: chain C residue 44 ASN Chi-restraints excluded: chain C residue 66 CYS Chi-restraints excluded: chain C residue 67 PHE Chi-restraints excluded: chain C residue 70 GLU Chi-restraints excluded: chain C residue 71 GLN Chi-restraints excluded: chain C residue 73 LEU Chi-restraints excluded: chain C residue 75 VAL Chi-restraints excluded: chain C residue 76 ARG Chi-restraints excluded: chain C residue 78 LEU Chi-restraints excluded: chain C residue 81 MET Chi-restraints excluded: chain C residue 100 THR Chi-restraints excluded: chain C residue 102 LEU Chi-restraints excluded: chain C residue 111 HIS Chi-restraints excluded: chain C residue 113 HIS Chi-restraints excluded: chain C residue 121 LEU Chi-restraints excluded: chain C residue 123 THR Chi-restraints excluded: chain C residue 134 ASP Chi-restraints excluded: chain C residue 135 VAL Chi-restraints excluded: chain C residue 144 GLU Chi-restraints excluded: chain C residue 149 THR Chi-restraints excluded: chain C residue 152 PRO Chi-restraints excluded: chain C residue 156 GLN Chi-restraints excluded: chain C residue 163 VAL Chi-restraints excluded: chain C residue 165 VAL Chi-restraints excluded: chain C residue 169 LEU Chi-restraints excluded: chain C residue 173 SER Chi-restraints excluded: chain C residue 176 SER Chi-restraints excluded: chain C residue 179 TYR Chi-restraints excluded: chain C residue 181 HIS Chi-restraints excluded: chain C residue 191 VAL Chi-restraints excluded: chain C residue 205 ILE Chi-restraints excluded: chain C residue 208 CYS Chi-restraints excluded: chain C residue 210 GLU Chi-restraints excluded: chain C residue 211 GLU Chi-restraints excluded: chain C residue 222 LEU Chi-restraints excluded: chain C residue 244 LEU Chi-restraints excluded: chain C residue 246 TYR Chi-restraints excluded: chain C residue 247 TYR Chi-restraints excluded: chain C residue 257 ARG Chi-restraints excluded: chain C residue 262 LEU Chi-restraints excluded: chain C residue 270 SER Chi-restraints excluded: chain C residue 282 ILE Chi-restraints excluded: chain C residue 283 ARG Chi-restraints excluded: chain C residue 286 THR Chi-restraints excluded: chain C residue 289 ARG Chi-restraints excluded: chain C residue 293 LEU Chi-restraints excluded: chain C residue 294 THR Chi-restraints excluded: chain C residue 301 VAL Chi-restraints excluded: chain C residue 303 ASP Chi-restraints excluded: chain C residue 313 SER Chi-restraints excluded: chain C residue 315 CYS Chi-restraints excluded: chain C residue 343 GLU Chi-restraints excluded: chain C residue 345 LEU Chi-restraints excluded: chain C residue 355 LEU Chi-restraints excluded: chain C residue 358 THR Chi-restraints excluded: chain C residue 359 TYR Chi-restraints excluded: chain C residue 373 LYS Chi-restraints excluded: chain C residue 390 LEU Chi-restraints excluded: chain C residue 391 THR Chi-restraints excluded: chain C residue 394 GLN Chi-restraints excluded: chain C residue 396 GLU Chi-restraints excluded: chain C residue 397 GLU Chi-restraints excluded: chain C residue 403 MET Chi-restraints excluded: chain C residue 404 ILE Chi-restraints excluded: chain C residue 415 ILE Chi-restraints excluded: chain C residue 439 GLU Chi-restraints excluded: chain C residue 442 ILE Chi-restraints excluded: chain C residue 447 ASP Chi-restraints excluded: chain C residue 452 PHE Chi-restraints excluded: chain C residue 475 GLN Chi-restraints excluded: chain C residue 483 MET Chi-restraints excluded: chain C residue 485 SER Chi-restraints excluded: chain C residue 486 LEU Chi-restraints excluded: chain C residue 487 VAL Chi-restraints excluded: chain C residue 488 LEU Chi-restraints excluded: chain C residue 491 ILE Chi-restraints excluded: chain C residue 497 TYR Chi-restraints excluded: chain C residue 506 TYR Chi-restraints excluded: chain C residue 510 GLU Chi-restraints excluded: chain C residue 513 GLU Chi-restraints excluded: chain C residue 514 SER Chi-restraints excluded: chain C residue 517 GLU Chi-restraints excluded: chain C residue 519 VAL Chi-restraints excluded: chain C residue 521 LEU Chi-restraints excluded: chain C residue 526 LEU Chi-restraints excluded: chain C residue 529 LEU Chi-restraints excluded: chain C residue 530 ILE Chi-restraints excluded: chain C residue 533 ASN Chi-restraints excluded: chain C residue 536 ASN Chi-restraints excluded: chain C residue 539 LEU Chi-restraints excluded: chain C residue 540 PHE Chi-restraints excluded: chain C residue 541 SER Chi-restraints excluded: chain C residue 547 VAL Chi-restraints excluded: chain C residue 561 LEU Chi-restraints excluded: chain C residue 563 VAL Chi-restraints excluded: chain C residue 564 LEU Chi-restraints excluded: chain C residue 569 ILE Chi-restraints excluded: chain C residue 575 LEU Chi-restraints excluded: chain C residue 579 GLN Chi-restraints excluded: chain C residue 581 ASN Chi-restraints excluded: chain C residue 582 HIS Chi-restraints excluded: chain C residue 586 ILE Chi-restraints excluded: chain C residue 590 LEU Chi-restraints excluded: chain C residue 591 ASP Chi-restraints excluded: chain C residue 599 VAL Chi-restraints excluded: chain C residue 605 SER Chi-restraints excluded: chain C residue 609 CYS Chi-restraints excluded: chain C residue 625 LEU Chi-restraints excluded: chain C residue 631 LEU Chi-restraints excluded: chain C residue 635 THR Chi-restraints excluded: chain C residue 638 ILE Chi-restraints excluded: chain C residue 642 THR Chi-restraints excluded: chain C residue 663 TYR Chi-restraints excluded: chain C residue 665 GLU Chi-restraints excluded: chain C residue 667 MET Chi-restraints excluded: chain C residue 669 ASP Chi-restraints excluded: chain C residue 695 TYR Chi-restraints excluded: chain C residue 702 TRP Chi-restraints excluded: chain C residue 709 ASP Chi-restraints excluded: chain C residue 714 TYR Chi-restraints excluded: chain C residue 719 LEU Chi-restraints excluded: chain C residue 737 LEU Chi-restraints excluded: chain C residue 748 LEU Chi-restraints excluded: chain C residue 751 SER Chi-restraints excluded: chain C residue 752 VAL Chi-restraints excluded: chain C residue 754 SER Chi-restraints excluded: chain C residue 756 SER Chi-restraints excluded: chain C residue 771 PHE Chi-restraints excluded: chain C residue 783 PHE Chi-restraints excluded: chain C residue 792 LEU Chi-restraints excluded: chain C residue 815 VAL Chi-restraints excluded: chain C residue 822 ARG Chi-restraints excluded: chain C residue 829 TYR Chi-restraints excluded: chain C residue 839 LEU Chi-restraints excluded: chain C residue 867 LEU Chi-restraints excluded: chain C residue 869 ARG Chi-restraints excluded: chain C residue 886 ARG Chi-restraints excluded: chain C residue 896 VAL Chi-restraints excluded: chain C residue 900 ASN Chi-restraints excluded: chain C residue 908 VAL Chi-restraints excluded: chain C residue 923 GLN Chi-restraints excluded: chain C residue 928 THR Chi-restraints excluded: chain C residue 948 ASP Chi-restraints excluded: chain C residue 960 MET Chi-restraints excluded: chain C residue 961 MET Chi-restraints excluded: chain C residue 965 TYR Chi-restraints excluded: chain C residue 971 ASP Chi-restraints excluded: chain C residue 972 LEU Chi-restraints excluded: chain C residue 974 HIS Chi-restraints excluded: chain C residue 978 THR Chi-restraints excluded: chain C residue 1036 ARG Chi-restraints excluded: chain C residue 1037 ASP Chi-restraints excluded: chain C residue 1039 LEU Chi-restraints excluded: chain C residue 1072 VAL Chi-restraints excluded: chain C residue 1078 GLU Chi-restraints excluded: chain C residue 1081 TYR Chi-restraints excluded: chain C residue 1087 ARG Chi-restraints excluded: chain C residue 1101 ARG Chi-restraints excluded: chain C residue 1108 GLU Chi-restraints excluded: chain C residue 1120 LEU Chi-restraints excluded: chain C residue 1127 HIS Chi-restraints excluded: chain C residue 1132 TRP Chi-restraints excluded: chain C residue 1133 HIS Chi-restraints excluded: chain C residue 1134 LEU Chi-restraints excluded: chain C residue 1139 PHE Chi-restraints excluded: chain C residue 1143 TRP Chi-restraints excluded: chain C residue 1158 ASN Chi-restraints excluded: chain C residue 1163 THR Chi-restraints excluded: chain C residue 1169 LEU Chi-restraints excluded: chain C residue 1172 ASP Chi-restraints excluded: chain C residue 1184 ILE Chi-restraints excluded: chain C residue 1191 VAL Chi-restraints excluded: chain C residue 1201 HIS Chi-restraints excluded: chain C residue 1203 ASN Chi-restraints excluded: chain C residue 1204 LEU Chi-restraints excluded: chain C residue 1216 ILE Chi-restraints excluded: chain C residue 1235 THR Chi-restraints excluded: chain C residue 1240 LYS Chi-restraints excluded: chain C residue 1242 LEU Chi-restraints excluded: chain C residue 1245 PHE Chi-restraints excluded: chain C residue 1248 VAL Chi-restraints excluded: chain C residue 1251 GLU Chi-restraints excluded: chain C residue 1254 HIS Chi-restraints excluded: chain C residue 1266 THR Chi-restraints excluded: chain C residue 1272 LEU Chi-restraints excluded: chain C residue 1575 LEU Chi-restraints excluded: chain C residue 1595 LEU Chi-restraints excluded: chain C residue 1597 VAL Chi-restraints excluded: chain C residue 1600 LEU Chi-restraints excluded: chain C residue 1601 MET Chi-restraints excluded: chain C residue 1605 TRP Chi-restraints excluded: chain C residue 1636 MET Chi-restraints excluded: chain C residue 1639 LEU Chi-restraints excluded: chain C residue 1641 ILE Chi-restraints excluded: chain C residue 1648 MET Chi-restraints excluded: chain C residue 1649 ASP Chi-restraints excluded: chain C residue 1652 GLU Chi-restraints excluded: chain C residue 1654 SER Chi-restraints excluded: chain C residue 1657 LEU Chi-restraints excluded: chain C residue 1666 THR Chi-restraints excluded: chain C residue 1673 VAL Chi-restraints excluded: chain C residue 1679 ASN Chi-restraints excluded: chain C residue 1694 LEU Chi-restraints excluded: chain C residue 1695 LEU Chi-restraints excluded: chain C residue 1699 GLU Chi-restraints excluded: chain C residue 1700 ASP Chi-restraints excluded: chain C residue 1703 LEU Chi-restraints excluded: chain C residue 1707 LEU Chi-restraints excluded: chain C residue 1713 ASP Chi-restraints excluded: chain C residue 1720 LEU Chi-restraints excluded: chain C residue 1731 LEU Chi-restraints excluded: chain C residue 1738 LEU Chi-restraints excluded: chain C residue 1739 THR Chi-restraints excluded: chain C residue 1743 ARG Chi-restraints excluded: chain C residue 1760 HIS Chi-restraints excluded: chain C residue 1768 THR Chi-restraints excluded: chain C residue 1770 SER Chi-restraints excluded: chain C residue 1772 ARG Chi-restraints excluded: chain C residue 1778 SER Chi-restraints excluded: chain C residue 1786 LEU Chi-restraints excluded: chain C residue 1798 LEU Chi-restraints excluded: chain C residue 1830 VAL Chi-restraints excluded: chain C residue 1839 VAL Chi-restraints excluded: chain C residue 1848 LEU Chi-restraints excluded: chain C residue 1850 VAL Chi-restraints excluded: chain C residue 1853 ILE Chi-restraints excluded: chain C residue 1856 ASP Chi-restraints excluded: chain C residue 1857 GLU Chi-restraints excluded: chain C residue 1861 GLN Chi-restraints excluded: chain C residue 1870 VAL Chi-restraints excluded: chain C residue 1928 GLN Chi-restraints excluded: chain C residue 1939 MET Chi-restraints excluded: chain C residue 1942 LEU Chi-restraints excluded: chain C residue 1943 LEU Chi-restraints excluded: chain C residue 1944 GLU Chi-restraints excluded: chain C residue 1947 CYS Chi-restraints excluded: chain C residue 1951 LEU Chi-restraints excluded: chain C residue 1958 LEU Chi-restraints excluded: chain C residue 1963 GLU Chi-restraints excluded: chain C residue 1966 VAL Chi-restraints excluded: chain C residue 1968 LYS Chi-restraints excluded: chain C residue 1976 ARG Chi-restraints excluded: chain C residue 1996 ARG Chi-restraints excluded: chain C residue 1997 GLU Chi-restraints excluded: chain C residue 2030 ASP Chi-restraints excluded: chain C residue 2031 LEU Chi-restraints excluded: chain C residue 2034 PHE Chi-restraints excluded: chain C residue 2035 HIS Chi-restraints excluded: chain C residue 2095 GLN Chi-restraints excluded: chain C residue 2098 VAL Chi-restraints excluded: chain C residue 2101 MET Chi-restraints excluded: chain C residue 2102 VAL Chi-restraints excluded: chain C residue 2103 VAL Chi-restraints excluded: chain C residue 2104 ARG Chi-restraints excluded: chain C residue 2115 GLU Chi-restraints excluded: chain C residue 2117 VAL Chi-restraints excluded: chain C residue 2118 ARG Chi-restraints excluded: chain C residue 2120 MET Chi-restraints excluded: chain C residue 2122 SER Chi-restraints excluded: chain C residue 2125 HIS Chi-restraints excluded: chain C residue 2138 LEU Chi-restraints excluded: chain C residue 2143 THR Chi-restraints excluded: chain C residue 2148 SER Chi-restraints excluded: chain C residue 2150 GLU Chi-restraints excluded: chain C residue 2155 LEU Chi-restraints excluded: chain C residue 2164 SER Chi-restraints excluded: chain C residue 2166 LEU Chi-restraints excluded: chain C residue 2169 GLN Chi-restraints excluded: chain C residue 2184 ASN Chi-restraints excluded: chain C residue 2185 ILE Chi-restraints excluded: chain C residue 2186 MET Chi-restraints excluded: chain C residue 2187 ASN Chi-restraints excluded: chain C residue 2188 ASN Chi-restraints excluded: chain C residue 2189 LYS Chi-restraints excluded: chain C residue 2193 GLN Chi-restraints excluded: chain C residue 2203 MET Chi-restraints excluded: chain C residue 2207 VAL Chi-restraints excluded: chain C residue 2225 PHE Chi-restraints excluded: chain C residue 2228 MET Chi-restraints excluded: chain C residue 2229 VAL Chi-restraints excluded: chain C residue 2232 CYS Chi-restraints excluded: chain C residue 2237 CYS Chi-restraints excluded: chain C residue 2246 ASN Chi-restraints excluded: chain C residue 2254 LEU Chi-restraints excluded: chain C residue 2258 LEU Chi-restraints excluded: chain C residue 2260 ASN Chi-restraints excluded: chain C residue 2271 THR Chi-restraints excluded: chain C residue 2275 VAL Chi-restraints excluded: chain C residue 2279 SER Chi-restraints excluded: chain C residue 2280 VAL Chi-restraints excluded: chain C residue 2291 GLN Chi-restraints excluded: chain C residue 2292 GLU Chi-restraints excluded: chain C residue 2298 VAL Chi-restraints excluded: chain C residue 2318 TYR Chi-restraints excluded: chain C residue 2330 ARG Chi-restraints excluded: chain C residue 2334 PHE Chi-restraints excluded: chain C residue 2340 PHE Chi-restraints excluded: chain C residue 2348 GLU Chi-restraints excluded: chain C residue 2349 ASN Chi-restraints excluded: chain C residue 2353 VAL Chi-restraints excluded: chain C residue 2354 VAL Chi-restraints excluded: chain C residue 2356 LEU Chi-restraints excluded: chain C residue 2357 LEU Chi-restraints excluded: chain C residue 2358 ILE Chi-restraints excluded: chain C residue 2368 LEU Chi-restraints excluded: chain C residue 2376 LEU Chi-restraints excluded: chain C residue 2377 LEU Chi-restraints excluded: chain C residue 2380 ILE Chi-restraints excluded: chain C residue 2418 LEU Chi-restraints excluded: chain C residue 2432 LEU Chi-restraints excluded: chain C residue 2454 ARG Chi-restraints excluded: chain C residue 2457 LEU Chi-restraints excluded: chain C residue 2460 LEU Chi-restraints excluded: chain C residue 2463 LEU Chi-restraints excluded: chain C residue 2472 LEU Chi-restraints excluded: chain C residue 2744 ASN Chi-restraints excluded: chain C residue 2756 ASN Chi-restraints excluded: chain C residue 2773 ASN Chi-restraints excluded: chain C residue 2790 MET Chi-restraints excluded: chain C residue 2792 ARG Chi-restraints excluded: chain C residue 2809 ILE Chi-restraints excluded: chain C residue 2811 GLU Chi-restraints excluded: chain C residue 2821 TRP Chi-restraints excluded: chain C residue 2855 TYR Chi-restraints excluded: chain C residue 2856 ASN Chi-restraints excluded: chain C residue 2867 LEU Chi-restraints excluded: chain C residue 2868 SER Chi-restraints excluded: chain C residue 2881 ASN Chi-restraints excluded: chain C residue 2888 ARG Chi-restraints excluded: chain C residue 2906 VAL Chi-restraints excluded: chain C residue 2910 THR Chi-restraints excluded: chain C residue 2911 LEU Chi-restraints excluded: chain C residue 2929 PHE Chi-restraints excluded: chain C residue 2935 TYR Chi-restraints excluded: chain C residue 2938 THR Chi-restraints excluded: chain C residue 3646 THR Chi-restraints excluded: chain C residue 3651 ASN Chi-restraints excluded: chain C residue 3652 MET Chi-restraints excluded: chain C residue 3661 TRP Chi-restraints excluded: chain C residue 3663 LEU Chi-restraints excluded: chain C residue 3665 GLU Chi-restraints excluded: chain C residue 3666 ASP Chi-restraints excluded: chain C residue 3669 PHE Chi-restraints excluded: chain C residue 3676 ASP Chi-restraints excluded: chain C residue 3679 LYS Chi-restraints excluded: chain C residue 3697 PRO Chi-restraints excluded: chain C residue 3702 VAL Chi-restraints excluded: chain C residue 3708 THR Chi-restraints excluded: chain C residue 3711 THR Chi-restraints excluded: chain C residue 3714 SER Chi-restraints excluded: chain C residue 3720 TYR Chi-restraints excluded: chain C residue 3725 TYR Chi-restraints excluded: chain C residue 3727 ASP Chi-restraints excluded: chain C residue 3732 SER Chi-restraints excluded: chain C residue 3753 PHE Chi-restraints excluded: chain C residue 3763 LEU Chi-restraints excluded: chain C residue 3773 ARG Chi-restraints excluded: chain C residue 3780 LEU Chi-restraints excluded: chain C residue 3786 CYS Chi-restraints excluded: chain C residue 3787 LYS Chi-restraints excluded: chain C residue 3790 THR Chi-restraints excluded: chain C residue 3796 SER Chi-restraints excluded: chain C residue 3797 THR Chi-restraints excluded: chain C residue 3802 ILE Chi-restraints excluded: chain C residue 3811 GLU Chi-restraints excluded: chain C residue 3816 MET Chi-restraints excluded: chain C residue 3822 ASP Chi-restraints excluded: chain C residue 3828 PHE Chi-restraints excluded: chain C residue 3838 THR Chi-restraints excluded: chain C residue 3843 ASP Chi-restraints excluded: chain C residue 3844 LEU Chi-restraints excluded: chain C residue 3881 THR Chi-restraints excluded: chain C residue 3882 GLN Chi-restraints excluded: chain C residue 3883 ASP Chi-restraints excluded: chain C residue 3884 LEU Chi-restraints excluded: chain C residue 3890 LEU Chi-restraints excluded: chain C residue 3891 LEU Chi-restraints excluded: chain C residue 3895 HIS Chi-restraints excluded: chain C residue 3900 GLN Chi-restraints excluded: chain C residue 3907 THR Chi-restraints excluded: chain C residue 3909 ASN Chi-restraints excluded: chain C residue 3913 ILE Chi-restraints excluded: chain C residue 3915 ILE Chi-restraints excluded: chain C residue 3916 ILE Chi-restraints excluded: chain C residue 3920 VAL Chi-restraints excluded: chain C residue 3924 LEU Chi-restraints excluded: chain C residue 3927 GLN Chi-restraints excluded: chain C residue 3928 GLU Chi-restraints excluded: chain C residue 3929 SER Chi-restraints excluded: chain C residue 3931 SER Chi-restraints excluded: chain C residue 3932 ASP Chi-restraints excluded: chain C residue 3937 TYR Chi-restraints excluded: chain C residue 3944 GLU Chi-restraints excluded: chain C residue 3946 GLN Chi-restraints excluded: chain C residue 3953 LYS Chi-restraints excluded: chain C residue 3957 VAL Chi-restraints excluded: chain C residue 3964 SER Chi-restraints excluded: chain C residue 3969 ILE Chi-restraints excluded: chain C residue 3974 THR Chi-restraints excluded: chain C residue 3979 SER Chi-restraints excluded: chain C residue 3982 HIS Chi-restraints excluded: chain C residue 3985 LEU Chi-restraints excluded: chain C residue 3986 TRP Chi-restraints excluded: chain C residue 3987 ASP Chi-restraints excluded: chain C residue 3990 VAL Chi-restraints excluded: chain C residue 3996 PHE Chi-restraints excluded: chain C residue 4013 LEU Chi-restraints excluded: chain C residue 4020 GLN Chi-restraints excluded: chain C residue 4022 ASP Chi-restraints excluded: chain C residue 4023 MET Chi-restraints excluded: chain C residue 4025 VAL Chi-restraints excluded: chain C residue 4034 ASN Chi-restraints excluded: chain C residue 4036 VAL Chi-restraints excluded: chain C residue 4039 MET Chi-restraints excluded: chain C residue 4044 MET Chi-restraints excluded: chain C residue 4045 VAL Chi-restraints excluded: chain C residue 4046 ASP Chi-restraints excluded: chain C residue 4049 VAL Chi-restraints excluded: chain C residue 4055 VAL Chi-restraints excluded: chain C residue 4066 LEU Chi-restraints excluded: chain C residue 4070 ASP Chi-restraints excluded: chain C residue 4090 LYS Chi-restraints excluded: chain C residue 4095 LYS Chi-restraints excluded: chain C residue 4102 GLN Chi-restraints excluded: chain C residue 4109 GLN Chi-restraints excluded: chain C residue 4121 GLU Chi-restraints excluded: chain C residue 4128 PHE Chi-restraints excluded: chain C residue 4134 GLU Chi-restraints excluded: chain C residue 4139 ILE Chi-restraints excluded: chain C residue 4143 VAL Chi-restraints excluded: chain C residue 4150 LEU Chi-restraints excluded: chain C residue 4151 SER Chi-restraints excluded: chain C residue 4157 ASP Chi-restraints excluded: chain C residue 4159 ARG Chi-restraints excluded: chain C residue 4160 LEU Chi-restraints excluded: chain C residue 4162 ASN Chi-restraints excluded: chain C residue 4164 LEU Chi-restraints excluded: chain C residue 4166 LEU Chi-restraints excluded: chain C residue 4178 LEU Chi-restraints excluded: chain C residue 4181 ILE Chi-restraints excluded: chain C residue 4195 PHE Chi-restraints excluded: chain C residue 4200 THR Chi-restraints excluded: chain C residue 4205 TRP Chi-restraints excluded: chain C residue 4212 GLU Chi-restraints excluded: chain C residue 4231 MET Chi-restraints excluded: chain C residue 4237 PHE Chi-restraints excluded: chain C residue 4238 CYS Chi-restraints excluded: chain C residue 4244 GLU Chi-restraints excluded: chain C residue 4245 MET Chi-restraints excluded: chain C residue 4251 ILE Chi-restraints excluded: chain C residue 4252 SER Chi-restraints excluded: chain C residue 4549 VAL Chi-restraints excluded: chain C residue 4558 ASN Chi-restraints excluded: chain C residue 4559 PHE Chi-restraints excluded: chain C residue 4565 LEU Chi-restraints excluded: chain C residue 4573 ILE Chi-restraints excluded: chain C residue 4577 LEU Chi-restraints excluded: chain C residue 4630 TYR Chi-restraints excluded: chain C residue 4631 PHE Chi-restraints excluded: chain C residue 4632 LEU Chi-restraints excluded: chain C residue 4635 SER Chi-restraints excluded: chain C residue 4638 TYR Chi-restraints excluded: chain C residue 4640 GLU Chi-restraints excluded: chain C residue 4643 LEU Chi-restraints excluded: chain C residue 4646 LEU Chi-restraints excluded: chain C residue 4649 LEU Chi-restraints excluded: chain C residue 4651 THR Chi-restraints excluded: chain C residue 4652 LEU Chi-restraints excluded: chain C residue 4653 VAL Chi-restraints excluded: chain C residue 4656 LEU Chi-restraints excluded: chain C residue 4657 CYS Chi-restraints excluded: chain C residue 4666 VAL Chi-restraints excluded: chain C residue 4668 LEU Chi-restraints excluded: chain C residue 4671 PHE Chi-restraints excluded: chain C residue 4676 GLU Chi-restraints excluded: chain C residue 4677 LEU Chi-restraints excluded: chain C residue 4684 ASP Chi-restraints excluded: chain C residue 4688 ILE Chi-restraints excluded: chain C residue 4691 GLN Chi-restraints excluded: chain C residue 4701 TRP Chi-restraints excluded: chain C residue 4714 ASN Chi-restraints excluded: chain C residue 4723 LYS Chi-restraints excluded: chain C residue 4731 ILE Chi-restraints excluded: chain C residue 4739 GLU Chi-restraints excluded: chain C residue 4743 MET Chi-restraints excluded: chain C residue 4747 SER Chi-restraints excluded: chain C residue 4770 SER Chi-restraints excluded: chain C residue 4774 LYS Chi-restraints excluded: chain C residue 4777 ILE Chi-restraints excluded: chain C residue 4780 PHE Chi-restraints excluded: chain C residue 4783 ILE Chi-restraints excluded: chain C residue 4786 ASP Chi-restraints excluded: chain C residue 4794 TRP Chi-restraints excluded: chain C residue 4797 VAL Chi-restraints excluded: chain C residue 4800 LEU Chi-restraints excluded: chain C residue 4807 PHE Chi-restraints excluded: chain C residue 4814 LEU Chi-restraints excluded: chain C residue 4818 MET Chi-restraints excluded: chain C residue 4822 THR Chi-restraints excluded: chain C residue 4827 LEU Chi-restraints excluded: chain C residue 4836 GLN Chi-restraints excluded: chain C residue 4838 VAL Chi-restraints excluded: chain C residue 4849 TYR Chi-restraints excluded: chain C residue 4852 THR Chi-restraints excluded: chain C residue 4854 VAL Chi-restraints excluded: chain C residue 4864 ASN Chi-restraints excluded: chain C residue 4867 GLU Chi-restraints excluded: chain C residue 4877 ASP Chi-restraints excluded: chain C residue 4901 ILE Chi-restraints excluded: chain C residue 4904 PRO Chi-restraints excluded: chain C residue 4913 ARG Chi-restraints excluded: chain C residue 4915 VAL Chi-restraints excluded: chain C residue 4918 ILE Chi-restraints excluded: chain C residue 4919 THR Chi-restraints excluded: chain C residue 4920 PHE Chi-restraints excluded: chain C residue 4921 PHE Chi-restraints excluded: chain C residue 4936 ILE Chi-restraints excluded: chain C residue 4945 ASP Chi-restraints excluded: chain C residue 4950 VAL Chi-restraints excluded: chain C residue 4960 ILE Chi-restraints excluded: chain C residue 4976 GLU Chi-restraints excluded: chain C residue 4983 HIS Chi-restraints excluded: chain C residue 4985 LEU Chi-restraints excluded: chain C residue 4990 PHE Chi-restraints excluded: chain C residue 4994 TYR Chi-restraints excluded: chain C residue 4999 ASP Chi-restraints excluded: chain C residue 5010 VAL Chi-restraints excluded: chain C residue 5014 TYR Chi-restraints excluded: chain C residue 5016 GLU Chi-restraints excluded: chain C residue 5020 ASP Chi-restraints excluded: chain C residue 5027 CYS Chi-restraints excluded: chain D residue 12 GLN Chi-restraints excluded: chain D residue 15 ARG Chi-restraints excluded: chain D residue 16 THR Chi-restraints excluded: chain D residue 17 ASP Chi-restraints excluded: chain D residue 18 ASP Chi-restraints excluded: chain D residue 29 LEU Chi-restraints excluded: chain D residue 32 GLN Chi-restraints excluded: chain D residue 40 GLU Chi-restraints excluded: chain D residue 44 ASN Chi-restraints excluded: chain D residue 66 CYS Chi-restraints excluded: chain D residue 67 PHE Chi-restraints excluded: chain D residue 70 GLU Chi-restraints excluded: chain D residue 71 GLN Chi-restraints excluded: chain D residue 73 LEU Chi-restraints excluded: chain D residue 75 VAL Chi-restraints excluded: chain D residue 76 ARG Chi-restraints excluded: chain D residue 78 LEU Chi-restraints excluded: chain D residue 81 MET Chi-restraints excluded: chain D residue 100 THR Chi-restraints excluded: chain D residue 102 LEU Chi-restraints excluded: chain D residue 111 HIS Chi-restraints excluded: chain D residue 113 HIS Chi-restraints excluded: chain D residue 121 LEU Chi-restraints excluded: chain D residue 123 THR Chi-restraints excluded: chain D residue 124 SER Chi-restraints excluded: chain D residue 135 VAL Chi-restraints excluded: chain D residue 144 GLU Chi-restraints excluded: chain D residue 149 THR Chi-restraints excluded: chain D residue 152 PRO Chi-restraints excluded: chain D residue 156 GLN Chi-restraints excluded: chain D residue 163 VAL Chi-restraints excluded: chain D residue 164 ARG Chi-restraints excluded: chain D residue 165 VAL Chi-restraints excluded: chain D residue 169 LEU Chi-restraints excluded: chain D residue 173 SER Chi-restraints excluded: chain D residue 176 SER Chi-restraints excluded: chain D residue 179 TYR Chi-restraints excluded: chain D residue 181 HIS Chi-restraints excluded: chain D residue 191 VAL Chi-restraints excluded: chain D residue 205 ILE Chi-restraints excluded: chain D residue 208 CYS Chi-restraints excluded: chain D residue 210 GLU Chi-restraints excluded: chain D residue 211 GLU Chi-restraints excluded: chain D residue 222 LEU Chi-restraints excluded: chain D residue 244 LEU Chi-restraints excluded: chain D residue 246 TYR Chi-restraints excluded: chain D residue 247 TYR Chi-restraints excluded: chain D residue 257 ARG Chi-restraints excluded: chain D residue 262 LEU Chi-restraints excluded: chain D residue 270 SER Chi-restraints excluded: chain D residue 282 ILE Chi-restraints excluded: chain D residue 283 ARG Chi-restraints excluded: chain D residue 286 THR Chi-restraints excluded: chain D residue 289 ARG Chi-restraints excluded: chain D residue 293 LEU Chi-restraints excluded: chain D residue 294 THR Chi-restraints excluded: chain D residue 301 VAL Chi-restraints excluded: chain D residue 303 ASP Chi-restraints excluded: chain D residue 313 SER Chi-restraints excluded: chain D residue 315 CYS Chi-restraints excluded: chain D residue 343 GLU Chi-restraints excluded: chain D residue 345 LEU Chi-restraints excluded: chain D residue 355 LEU Chi-restraints excluded: chain D residue 358 THR Chi-restraints excluded: chain D residue 359 TYR Chi-restraints excluded: chain D residue 373 LYS Chi-restraints excluded: chain D residue 390 LEU Chi-restraints excluded: chain D residue 391 THR Chi-restraints excluded: chain D residue 394 GLN Chi-restraints excluded: chain D residue 396 GLU Chi-restraints excluded: chain D residue 397 GLU Chi-restraints excluded: chain D residue 403 MET Chi-restraints excluded: chain D residue 404 ILE Chi-restraints excluded: chain D residue 415 ILE Chi-restraints excluded: chain D residue 439 GLU Chi-restraints excluded: chain D residue 442 ILE Chi-restraints excluded: chain D residue 447 ASP Chi-restraints excluded: chain D residue 452 PHE Chi-restraints excluded: chain D residue 459 LEU Chi-restraints excluded: chain D residue 462 GLU Chi-restraints excluded: chain D residue 463 GLU Chi-restraints excluded: chain D residue 471 LEU Chi-restraints excluded: chain D residue 475 GLN Chi-restraints excluded: chain D residue 483 MET Chi-restraints excluded: chain D residue 485 SER Chi-restraints excluded: chain D residue 486 LEU Chi-restraints excluded: chain D residue 487 VAL Chi-restraints excluded: chain D residue 488 LEU Chi-restraints excluded: chain D residue 491 ILE Chi-restraints excluded: chain D residue 497 TYR Chi-restraints excluded: chain D residue 506 TYR Chi-restraints excluded: chain D residue 510 GLU Chi-restraints excluded: chain D residue 513 GLU Chi-restraints excluded: chain D residue 514 SER Chi-restraints excluded: chain D residue 517 GLU Chi-restraints excluded: chain D residue 519 VAL Chi-restraints excluded: chain D residue 521 LEU Chi-restraints excluded: chain D residue 526 LEU Chi-restraints excluded: chain D residue 529 LEU Chi-restraints excluded: chain D residue 530 ILE Chi-restraints excluded: chain D residue 533 ASN Chi-restraints excluded: chain D residue 536 ASN Chi-restraints excluded: chain D residue 539 LEU Chi-restraints excluded: chain D residue 540 PHE Chi-restraints excluded: chain D residue 541 SER Chi-restraints excluded: chain D residue 547 VAL Chi-restraints excluded: chain D residue 561 LEU Chi-restraints excluded: chain D residue 563 VAL Chi-restraints excluded: chain D residue 564 LEU Chi-restraints excluded: chain D residue 569 ILE Chi-restraints excluded: chain D residue 575 LEU Chi-restraints excluded: chain D residue 579 GLN Chi-restraints excluded: chain D residue 581 ASN Chi-restraints excluded: chain D residue 582 HIS Chi-restraints excluded: chain D residue 586 ILE Chi-restraints excluded: chain D residue 590 LEU Chi-restraints excluded: chain D residue 591 ASP Chi-restraints excluded: chain D residue 599 VAL Chi-restraints excluded: chain D residue 605 SER Chi-restraints excluded: chain D residue 609 CYS Chi-restraints excluded: chain D residue 631 LEU Chi-restraints excluded: chain D residue 635 THR Chi-restraints excluded: chain D residue 638 ILE Chi-restraints excluded: chain D residue 642 THR Chi-restraints excluded: chain D residue 663 TYR Chi-restraints excluded: chain D residue 665 GLU Chi-restraints excluded: chain D residue 667 MET Chi-restraints excluded: chain D residue 669 ASP Chi-restraints excluded: chain D residue 695 TYR Chi-restraints excluded: chain D residue 702 TRP Chi-restraints excluded: chain D residue 709 ASP Chi-restraints excluded: chain D residue 712 TYR Chi-restraints excluded: chain D residue 714 TYR Chi-restraints excluded: chain D residue 719 LEU Chi-restraints excluded: chain D residue 737 LEU Chi-restraints excluded: chain D residue 748 LEU Chi-restraints excluded: chain D residue 751 SER Chi-restraints excluded: chain D residue 752 VAL Chi-restraints excluded: chain D residue 754 SER Chi-restraints excluded: chain D residue 756 SER Chi-restraints excluded: chain D residue 771 PHE Chi-restraints excluded: chain D residue 783 PHE Chi-restraints excluded: chain D residue 792 LEU Chi-restraints excluded: chain D residue 815 VAL Chi-restraints excluded: chain D residue 822 ARG Chi-restraints excluded: chain D residue 829 TYR Chi-restraints excluded: chain D residue 839 LEU Chi-restraints excluded: chain D residue 867 LEU Chi-restraints excluded: chain D residue 869 ARG Chi-restraints excluded: chain D residue 886 ARG Chi-restraints excluded: chain D residue 896 VAL Chi-restraints excluded: chain D residue 900 ASN Chi-restraints excluded: chain D residue 908 VAL Chi-restraints excluded: chain D residue 923 GLN Chi-restraints excluded: chain D residue 928 THR Chi-restraints excluded: chain D residue 948 ASP Chi-restraints excluded: chain D residue 960 MET Chi-restraints excluded: chain D residue 961 MET Chi-restraints excluded: chain D residue 965 TYR Chi-restraints excluded: chain D residue 971 ASP Chi-restraints excluded: chain D residue 972 LEU Chi-restraints excluded: chain D residue 974 HIS Chi-restraints excluded: chain D residue 978 THR Chi-restraints excluded: chain D residue 1036 ARG Chi-restraints excluded: chain D residue 1037 ASP Chi-restraints excluded: chain D residue 1039 LEU Chi-restraints excluded: chain D residue 1072 VAL Chi-restraints excluded: chain D residue 1076 ARG Chi-restraints excluded: chain D residue 1078 GLU Chi-restraints excluded: chain D residue 1081 TYR Chi-restraints excluded: chain D residue 1087 ARG Chi-restraints excluded: chain D residue 1101 ARG Chi-restraints excluded: chain D residue 1108 GLU Chi-restraints excluded: chain D residue 1120 LEU Chi-restraints excluded: chain D residue 1127 HIS Chi-restraints excluded: chain D residue 1132 TRP Chi-restraints excluded: chain D residue 1133 HIS Chi-restraints excluded: chain D residue 1134 LEU Chi-restraints excluded: chain D residue 1139 PHE Chi-restraints excluded: chain D residue 1143 TRP Chi-restraints excluded: chain D residue 1158 ASN Chi-restraints excluded: chain D residue 1163 THR Chi-restraints excluded: chain D residue 1169 LEU Chi-restraints excluded: chain D residue 1172 ASP Chi-restraints excluded: chain D residue 1184 ILE Chi-restraints excluded: chain D residue 1191 VAL Chi-restraints excluded: chain D residue 1201 HIS Chi-restraints excluded: chain D residue 1202 LEU Chi-restraints excluded: chain D residue 1203 ASN Chi-restraints excluded: chain D residue 1204 LEU Chi-restraints excluded: chain D residue 1216 ILE Chi-restraints excluded: chain D residue 1235 THR Chi-restraints excluded: chain D residue 1240 LYS Chi-restraints excluded: chain D residue 1242 LEU Chi-restraints excluded: chain D residue 1245 PHE Chi-restraints excluded: chain D residue 1248 VAL Chi-restraints excluded: chain D residue 1251 GLU Chi-restraints excluded: chain D residue 1254 HIS Chi-restraints excluded: chain D residue 1266 THR Chi-restraints excluded: chain D residue 1272 LEU Chi-restraints excluded: chain D residue 1575 LEU Chi-restraints excluded: chain D residue 1595 LEU Chi-restraints excluded: chain D residue 1597 VAL Chi-restraints excluded: chain D residue 1600 LEU Chi-restraints excluded: chain D residue 1601 MET Chi-restraints excluded: chain D residue 1605 TRP Chi-restraints excluded: chain D residue 1641 ILE Chi-restraints excluded: chain D residue 1648 MET Chi-restraints excluded: chain D residue 1649 ASP Chi-restraints excluded: chain D residue 1652 GLU Chi-restraints excluded: chain D residue 1654 SER Chi-restraints excluded: chain D residue 1657 LEU Chi-restraints excluded: chain D residue 1658 ASP Chi-restraints excluded: chain D residue 1666 THR Chi-restraints excluded: chain D residue 1673 VAL Chi-restraints excluded: chain D residue 1679 ASN Chi-restraints excluded: chain D residue 1695 LEU Chi-restraints excluded: chain D residue 1699 GLU Chi-restraints excluded: chain D residue 1700 ASP Chi-restraints excluded: chain D residue 1703 LEU Chi-restraints excluded: chain D residue 1707 LEU Chi-restraints excluded: chain D residue 1713 ASP Chi-restraints excluded: chain D residue 1720 LEU Chi-restraints excluded: chain D residue 1731 LEU Chi-restraints excluded: chain D residue 1738 LEU Chi-restraints excluded: chain D residue 1739 THR Chi-restraints excluded: chain D residue 1743 ARG Chi-restraints excluded: chain D residue 1768 THR Chi-restraints excluded: chain D residue 1770 SER Chi-restraints excluded: chain D residue 1772 ARG Chi-restraints excluded: chain D residue 1778 SER Chi-restraints excluded: chain D residue 1786 LEU Chi-restraints excluded: chain D residue 1798 LEU Chi-restraints excluded: chain D residue 1830 VAL Chi-restraints excluded: chain D residue 1839 VAL Chi-restraints excluded: chain D residue 1848 LEU Chi-restraints excluded: chain D residue 1850 VAL Chi-restraints excluded: chain D residue 1853 ILE Chi-restraints excluded: chain D residue 1856 ASP Chi-restraints excluded: chain D residue 1857 GLU Chi-restraints excluded: chain D residue 1861 GLN Chi-restraints excluded: chain D residue 1870 VAL Chi-restraints excluded: chain D residue 1928 GLN Chi-restraints excluded: chain D residue 1939 MET Chi-restraints excluded: chain D residue 1942 LEU Chi-restraints excluded: chain D residue 1943 LEU Chi-restraints excluded: chain D residue 1944 GLU Chi-restraints excluded: chain D residue 1947 CYS Chi-restraints excluded: chain D residue 1951 LEU Chi-restraints excluded: chain D residue 1958 LEU Chi-restraints excluded: chain D residue 1963 GLU Chi-restraints excluded: chain D residue 1966 VAL Chi-restraints excluded: chain D residue 1968 LYS Chi-restraints excluded: chain D residue 1976 ARG Chi-restraints excluded: chain D residue 1996 ARG Chi-restraints excluded: chain D residue 1997 GLU Chi-restraints excluded: chain D residue 2030 ASP Chi-restraints excluded: chain D residue 2031 LEU Chi-restraints excluded: chain D residue 2034 PHE Chi-restraints excluded: chain D residue 2035 HIS Chi-restraints excluded: chain D residue 2095 GLN Chi-restraints excluded: chain D residue 2098 VAL Chi-restraints excluded: chain D residue 2101 MET Chi-restraints excluded: chain D residue 2103 VAL Chi-restraints excluded: chain D residue 2104 ARG Chi-restraints excluded: chain D residue 2115 GLU Chi-restraints excluded: chain D residue 2117 VAL Chi-restraints excluded: chain D residue 2118 ARG Chi-restraints excluded: chain D residue 2120 MET Chi-restraints excluded: chain D residue 2122 SER Chi-restraints excluded: chain D residue 2125 HIS Chi-restraints excluded: chain D residue 2138 LEU Chi-restraints excluded: chain D residue 2143 THR Chi-restraints excluded: chain D residue 2148 SER Chi-restraints excluded: chain D residue 2150 GLU Chi-restraints excluded: chain D residue 2155 LEU Chi-restraints excluded: chain D residue 2164 SER Chi-restraints excluded: chain D residue 2166 LEU Chi-restraints excluded: chain D residue 2169 GLN Chi-restraints excluded: chain D residue 2184 ASN Chi-restraints excluded: chain D residue 2185 ILE Chi-restraints excluded: chain D residue 2186 MET Chi-restraints excluded: chain D residue 2187 ASN Chi-restraints excluded: chain D residue 2189 LYS Chi-restraints excluded: chain D residue 2193 GLN Chi-restraints excluded: chain D residue 2203 MET Chi-restraints excluded: chain D residue 2207 VAL Chi-restraints excluded: chain D residue 2225 PHE Chi-restraints excluded: chain D residue 2228 MET Chi-restraints excluded: chain D residue 2229 VAL Chi-restraints excluded: chain D residue 2232 CYS Chi-restraints excluded: chain D residue 2237 CYS Chi-restraints excluded: chain D residue 2246 ASN Chi-restraints excluded: chain D residue 2254 LEU Chi-restraints excluded: chain D residue 2258 LEU Chi-restraints excluded: chain D residue 2260 ASN Chi-restraints excluded: chain D residue 2271 THR Chi-restraints excluded: chain D residue 2275 VAL Chi-restraints excluded: chain D residue 2279 SER Chi-restraints excluded: chain D residue 2280 VAL Chi-restraints excluded: chain D residue 2291 GLN Chi-restraints excluded: chain D residue 2292 GLU Chi-restraints excluded: chain D residue 2298 VAL Chi-restraints excluded: chain D residue 2318 TYR Chi-restraints excluded: chain D residue 2330 ARG Chi-restraints excluded: chain D residue 2334 PHE Chi-restraints excluded: chain D residue 2340 PHE Chi-restraints excluded: chain D residue 2347 GLU Chi-restraints excluded: chain D residue 2348 GLU Chi-restraints excluded: chain D residue 2349 ASN Chi-restraints excluded: chain D residue 2353 VAL Chi-restraints excluded: chain D residue 2356 LEU Chi-restraints excluded: chain D residue 2357 LEU Chi-restraints excluded: chain D residue 2358 ILE Chi-restraints excluded: chain D residue 2368 LEU Chi-restraints excluded: chain D residue 2376 LEU Chi-restraints excluded: chain D residue 2377 LEU Chi-restraints excluded: chain D residue 2380 ILE Chi-restraints excluded: chain D residue 2418 LEU Chi-restraints excluded: chain D residue 2432 LEU Chi-restraints excluded: chain D residue 2433 LEU Chi-restraints excluded: chain D residue 2454 ARG Chi-restraints excluded: chain D residue 2457 LEU Chi-restraints excluded: chain D residue 2460 LEU Chi-restraints excluded: chain D residue 2463 LEU Chi-restraints excluded: chain D residue 2472 LEU Chi-restraints excluded: chain D residue 2741 GLU Chi-restraints excluded: chain D residue 2744 ASN Chi-restraints excluded: chain D residue 2756 ASN Chi-restraints excluded: chain D residue 2773 ASN Chi-restraints excluded: chain D residue 2792 ARG Chi-restraints excluded: chain D residue 2809 ILE Chi-restraints excluded: chain D residue 2811 GLU Chi-restraints excluded: chain D residue 2821 TRP Chi-restraints excluded: chain D residue 2855 TYR Chi-restraints excluded: chain D residue 2856 ASN Chi-restraints excluded: chain D residue 2867 LEU Chi-restraints excluded: chain D residue 2868 SER Chi-restraints excluded: chain D residue 2881 ASN Chi-restraints excluded: chain D residue 2888 ARG Chi-restraints excluded: chain D residue 2905 LEU Chi-restraints excluded: chain D residue 2906 VAL Chi-restraints excluded: chain D residue 2910 THR Chi-restraints excluded: chain D residue 2911 LEU Chi-restraints excluded: chain D residue 2929 PHE Chi-restraints excluded: chain D residue 2935 TYR Chi-restraints excluded: chain D residue 2938 THR Chi-restraints excluded: chain D residue 3646 THR Chi-restraints excluded: chain D residue 3651 ASN Chi-restraints excluded: chain D residue 3652 MET Chi-restraints excluded: chain D residue 3661 TRP Chi-restraints excluded: chain D residue 3663 LEU Chi-restraints excluded: chain D residue 3665 GLU Chi-restraints excluded: chain D residue 3666 ASP Chi-restraints excluded: chain D residue 3669 PHE Chi-restraints excluded: chain D residue 3676 ASP Chi-restraints excluded: chain D residue 3679 LYS Chi-restraints excluded: chain D residue 3697 PRO Chi-restraints excluded: chain D residue 3698 LEU Chi-restraints excluded: chain D residue 3702 VAL Chi-restraints excluded: chain D residue 3708 THR Chi-restraints excluded: chain D residue 3711 THR Chi-restraints excluded: chain D residue 3714 SER Chi-restraints excluded: chain D residue 3720 TYR Chi-restraints excluded: chain D residue 3722 TYR Chi-restraints excluded: chain D residue 3725 TYR Chi-restraints excluded: chain D residue 3727 ASP Chi-restraints excluded: chain D residue 3732 SER Chi-restraints excluded: chain D residue 3750 GLU Chi-restraints excluded: chain D residue 3753 PHE Chi-restraints excluded: chain D residue 3763 LEU Chi-restraints excluded: chain D residue 3773 ARG Chi-restraints excluded: chain D residue 3780 LEU Chi-restraints excluded: chain D residue 3786 CYS Chi-restraints excluded: chain D residue 3787 LYS Chi-restraints excluded: chain D residue 3790 THR Chi-restraints excluded: chain D residue 3796 SER Chi-restraints excluded: chain D residue 3797 THR Chi-restraints excluded: chain D residue 3798 LEU Chi-restraints excluded: chain D residue 3802 ILE Chi-restraints excluded: chain D residue 3811 GLU Chi-restraints excluded: chain D residue 3816 MET Chi-restraints excluded: chain D residue 3822 ASP Chi-restraints excluded: chain D residue 3828 PHE Chi-restraints excluded: chain D residue 3838 THR Chi-restraints excluded: chain D residue 3843 ASP Chi-restraints excluded: chain D residue 3844 LEU Chi-restraints excluded: chain D residue 3881 THR Chi-restraints excluded: chain D residue 3882 GLN Chi-restraints excluded: chain D residue 3883 ASP Chi-restraints excluded: chain D residue 3884 LEU Chi-restraints excluded: chain D residue 3890 LEU Chi-restraints excluded: chain D residue 3891 LEU Chi-restraints excluded: chain D residue 3895 HIS Chi-restraints excluded: chain D residue 3900 GLN Chi-restraints excluded: chain D residue 3907 THR Chi-restraints excluded: chain D residue 3909 ASN Chi-restraints excluded: chain D residue 3913 ILE Chi-restraints excluded: chain D residue 3915 ILE Chi-restraints excluded: chain D residue 3916 ILE Chi-restraints excluded: chain D residue 3920 VAL Chi-restraints excluded: chain D residue 3924 LEU Chi-restraints excluded: chain D residue 3927 GLN Chi-restraints excluded: chain D residue 3929 SER Chi-restraints excluded: chain D residue 3931 SER Chi-restraints excluded: chain D residue 3932 ASP Chi-restraints excluded: chain D residue 3937 TYR Chi-restraints excluded: chain D residue 3944 GLU Chi-restraints excluded: chain D residue 3946 GLN Chi-restraints excluded: chain D residue 3953 LYS Chi-restraints excluded: chain D residue 3957 VAL Chi-restraints excluded: chain D residue 3959 LYS Chi-restraints excluded: chain D residue 3964 SER Chi-restraints excluded: chain D residue 3970 GLN Chi-restraints excluded: chain D residue 3974 THR Chi-restraints excluded: chain D residue 3979 SER Chi-restraints excluded: chain D residue 3982 HIS Chi-restraints excluded: chain D residue 3986 TRP Chi-restraints excluded: chain D residue 3987 ASP Chi-restraints excluded: chain D residue 3990 VAL Chi-restraints excluded: chain D residue 3996 PHE Chi-restraints excluded: chain D residue 4013 LEU Chi-restraints excluded: chain D residue 4020 GLN Chi-restraints excluded: chain D residue 4022 ASP Chi-restraints excluded: chain D residue 4023 MET Chi-restraints excluded: chain D residue 4025 VAL Chi-restraints excluded: chain D residue 4034 ASN Chi-restraints excluded: chain D residue 4036 VAL Chi-restraints excluded: chain D residue 4045 VAL Chi-restraints excluded: chain D residue 4046 ASP Chi-restraints excluded: chain D residue 4049 VAL Chi-restraints excluded: chain D residue 4055 VAL Chi-restraints excluded: chain D residue 4066 LEU Chi-restraints excluded: chain D residue 4070 ASP Chi-restraints excluded: chain D residue 4088 ILE Chi-restraints excluded: chain D residue 4090 LYS Chi-restraints excluded: chain D residue 4095 LYS Chi-restraints excluded: chain D residue 4102 GLN Chi-restraints excluded: chain D residue 4109 GLN Chi-restraints excluded: chain D residue 4121 GLU Chi-restraints excluded: chain D residue 4128 PHE Chi-restraints excluded: chain D residue 4133 GLN Chi-restraints excluded: chain D residue 4139 ILE Chi-restraints excluded: chain D residue 4143 VAL Chi-restraints excluded: chain D residue 4150 LEU Chi-restraints excluded: chain D residue 4151 SER Chi-restraints excluded: chain D residue 4157 ASP Chi-restraints excluded: chain D residue 4159 ARG Chi-restraints excluded: chain D residue 4160 LEU Chi-restraints excluded: chain D residue 4162 ASN Chi-restraints excluded: chain D residue 4164 LEU Chi-restraints excluded: chain D residue 4166 LEU Chi-restraints excluded: chain D residue 4171 LEU Chi-restraints excluded: chain D residue 4178 LEU Chi-restraints excluded: chain D residue 4181 ILE Chi-restraints excluded: chain D residue 4195 PHE Chi-restraints excluded: chain D residue 4200 THR Chi-restraints excluded: chain D residue 4205 TRP Chi-restraints excluded: chain D residue 4212 GLU Chi-restraints excluded: chain D residue 4231 MET Chi-restraints excluded: chain D residue 4237 PHE Chi-restraints excluded: chain D residue 4238 CYS Chi-restraints excluded: chain D residue 4244 GLU Chi-restraints excluded: chain D residue 4251 ILE Chi-restraints excluded: chain D residue 4252 SER Chi-restraints excluded: chain D residue 4546 VAL Chi-restraints excluded: chain D residue 4549 VAL Chi-restraints excluded: chain D residue 4558 ASN Chi-restraints excluded: chain D residue 4559 PHE Chi-restraints excluded: chain D residue 4565 LEU Chi-restraints excluded: chain D residue 4573 ILE Chi-restraints excluded: chain D residue 4630 TYR Chi-restraints excluded: chain D residue 4631 PHE Chi-restraints excluded: chain D residue 4632 LEU Chi-restraints excluded: chain D residue 4635 SER Chi-restraints excluded: chain D residue 4638 TYR Chi-restraints excluded: chain D residue 4640 GLU Chi-restraints excluded: chain D residue 4643 LEU Chi-restraints excluded: chain D residue 4646 LEU Chi-restraints excluded: chain D residue 4649 LEU Chi-restraints excluded: chain D residue 4651 THR Chi-restraints excluded: chain D residue 4652 LEU Chi-restraints excluded: chain D residue 4653 VAL Chi-restraints excluded: chain D residue 4656 LEU Chi-restraints excluded: chain D residue 4657 CYS Chi-restraints excluded: chain D residue 4666 VAL Chi-restraints excluded: chain D residue 4668 LEU Chi-restraints excluded: chain D residue 4671 PHE Chi-restraints excluded: chain D residue 4674 GLU Chi-restraints excluded: chain D residue 4676 GLU Chi-restraints excluded: chain D residue 4677 LEU Chi-restraints excluded: chain D residue 4684 ASP Chi-restraints excluded: chain D residue 4688 ILE Chi-restraints excluded: chain D residue 4691 GLN Chi-restraints excluded: chain D residue 4701 TRP Chi-restraints excluded: chain D residue 4723 LYS Chi-restraints excluded: chain D residue 4731 ILE Chi-restraints excluded: chain D residue 4739 GLU Chi-restraints excluded: chain D residue 4743 MET Chi-restraints excluded: chain D residue 4747 SER Chi-restraints excluded: chain D residue 4770 SER Chi-restraints excluded: chain D residue 4774 LYS Chi-restraints excluded: chain D residue 4777 ILE Chi-restraints excluded: chain D residue 4780 PHE Chi-restraints excluded: chain D residue 4783 ILE Chi-restraints excluded: chain D residue 4786 ASP Chi-restraints excluded: chain D residue 4794 TRP Chi-restraints excluded: chain D residue 4797 VAL Chi-restraints excluded: chain D residue 4800 LEU Chi-restraints excluded: chain D residue 4808 PHE Chi-restraints excluded: chain D residue 4813 LEU Chi-restraints excluded: chain D residue 4814 LEU Chi-restraints excluded: chain D residue 4818 MET Chi-restraints excluded: chain D residue 4822 THR Chi-restraints excluded: chain D residue 4827 LEU Chi-restraints excluded: chain D residue 4836 GLN Chi-restraints excluded: chain D residue 4838 VAL Chi-restraints excluded: chain D residue 4849 TYR Chi-restraints excluded: chain D residue 4852 THR Chi-restraints excluded: chain D residue 4854 VAL Chi-restraints excluded: chain D residue 4867 GLU Chi-restraints excluded: chain D residue 4877 ASP Chi-restraints excluded: chain D residue 4901 ILE Chi-restraints excluded: chain D residue 4904 PRO Chi-restraints excluded: chain D residue 4913 ARG Chi-restraints excluded: chain D residue 4915 VAL Chi-restraints excluded: chain D residue 4918 ILE Chi-restraints excluded: chain D residue 4919 THR Chi-restraints excluded: chain D residue 4920 PHE Chi-restraints excluded: chain D residue 4921 PHE Chi-restraints excluded: chain D residue 4936 ILE Chi-restraints excluded: chain D residue 4945 ASP Chi-restraints excluded: chain D residue 4950 VAL Chi-restraints excluded: chain D residue 4954 MET Chi-restraints excluded: chain D residue 4960 ILE Chi-restraints excluded: chain D residue 4976 GLU Chi-restraints excluded: chain D residue 4983 HIS Chi-restraints excluded: chain D residue 4985 LEU Chi-restraints excluded: chain D residue 4990 PHE Chi-restraints excluded: chain D residue 4994 TYR Chi-restraints excluded: chain D residue 4996 ILE Chi-restraints excluded: chain D residue 5004 THR Chi-restraints excluded: chain D residue 5008 SER Chi-restraints excluded: chain D residue 5010 VAL Chi-restraints excluded: chain D residue 5014 TYR Chi-restraints excluded: chain D residue 5016 GLU Chi-restraints excluded: chain D residue 5020 ASP Chi-restraints excluded: chain D residue 5027 CYS Rotamers are restrained with sigma=3.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 0 random chunks: chunk None optimal weight: 9.9990 overall best weight: 50.0000 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** A 308 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 350 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 379 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 394 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 460 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 461 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 479 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 610 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 618 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 735 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 772 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 949 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1130 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1158 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1165 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1760 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1837 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2161 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2184 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2253 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2268 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2763 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2858 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2872 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2877 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2931 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3643 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3809 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3927 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4054 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4078 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4100 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4102 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4204 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4650 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4700 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A4886 HIS ** A4973 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 23 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 218 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 308 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 379 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 394 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 461 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 479 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 610 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 618 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 735 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 772 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 949 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1130 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1158 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1165 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1760 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1837 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2161 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2184 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2253 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2268 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2763 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2858 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2872 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2877 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2931 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3643 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3809 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3927 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3970 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4054 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4078 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4100 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4102 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4204 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4209 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4700 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B4886 HIS ** B4973 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4987 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 308 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 379 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 460 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 461 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 479 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 610 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 618 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 735 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 772 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 949 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1130 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1158 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1165 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C1590 GLN ** C1640 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1760 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1837 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2161 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2184 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2253 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2268 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2763 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2858 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2872 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2877 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3643 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3809 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3927 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4054 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4078 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4100 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4102 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4650 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4700 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C4886 HIS ** C4973 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4987 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 308 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 379 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 394 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 461 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 479 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 610 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 618 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 735 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 772 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 949 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1130 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1158 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1165 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1760 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1837 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2161 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2173 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2184 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2253 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2763 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2858 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2872 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2877 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2931 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3643 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3809 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3927 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3970 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4054 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4078 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4102 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4204 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4650 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4700 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4714 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D4886 HIS ** D4973 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 5 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8286 moved from start: 1.5173 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.029 0.292 119724 Z= 1.893 Angle : 2.550 33.355 163324 Z= 1.301 Chirality : 0.101 0.628 19116 Planarity : 0.018 0.250 21488 Dihedral : 14.224 145.676 17724 Min Nonbonded Distance : 1.687 Molprobity Statistics. All-atom Clashscore : 149.29 Ramachandran Plot: Outliers : 1.39 % Allowed : 41.49 % Favored : 57.13 % Rotamer: Outliers : 30.22 % Allowed : 26.95 % Favored : 42.84 % Cbeta Deviations : 0.28 % Peptide Plane: Cis-proline : 0.64 % Cis-general : 0.00 % Twisted Proline : 8.28 % Twisted General : 4.12 % 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: -7.12 (0.05), residues: 12924 helix: -4.64 (0.04), residues: 5196 sheet: -4.28 (0.15), residues: 720 loop : -5.04 (0.06), residues: 7008 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.083 0.008 TRP C1132 HIS 0.050 0.008 HIS B 582 PHE 0.086 0.009 PHE B 674 TYR 0.083 0.009 TYR C4849 ARG 0.041 0.003 ARG A1661 *********************** REFINEMENT MACRO_CYCLE 6 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 25848 Ramachandran restraints generated. 12924 Oldfield, 0 Emsley, 12924 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 25848 Ramachandran restraints generated. 12924 Oldfield, 0 Emsley, 12924 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3489 residues out of total 11344 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 3012 poor density : 477 time to evaluate : 8.981 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 12 GLN cc_start: 0.8035 (OUTLIER) cc_final: 0.7566 (mm110) REVERT: A 15 ARG cc_start: 0.8188 (OUTLIER) cc_final: 0.7619 (mtm-85) REVERT: A 102 LEU cc_start: 0.8999 (OUTLIER) cc_final: 0.8768 (mt) REVERT: A 121 LEU cc_start: 0.8685 (OUTLIER) cc_final: 0.8151 (mm) REVERT: A 152 PRO cc_start: 0.9429 (OUTLIER) cc_final: 0.9118 (Cg_exo) REVERT: A 246 TYR cc_start: 0.8994 (OUTLIER) cc_final: 0.8411 (t80) REVERT: A 247 TYR cc_start: 0.8842 (OUTLIER) cc_final: 0.8400 (m-80) REVERT: A 263 GLU cc_start: 0.8955 (OUTLIER) cc_final: 0.8660 (pt0) REVERT: A 283 ARG cc_start: 0.9072 (OUTLIER) cc_final: 0.8640 (ttt-90) REVERT: A 394 GLN cc_start: 0.6926 (OUTLIER) cc_final: 0.6480 (mp10) REVERT: A 396 GLU cc_start: 0.9357 (OUTLIER) cc_final: 0.8783 (pp20) REVERT: A 497 TYR cc_start: 0.9030 (OUTLIER) cc_final: 0.8370 (m-80) REVERT: A 510 GLU cc_start: 0.9257 (OUTLIER) cc_final: 0.8700 (pm20) REVERT: A 580 GLU cc_start: 0.9057 (OUTLIER) cc_final: 0.8695 (tm-30) REVERT: A 581 ASN cc_start: 0.8938 (OUTLIER) cc_final: 0.8590 (p0) REVERT: A 663 TYR cc_start: 0.6819 (OUTLIER) cc_final: 0.5820 (t80) REVERT: A 714 TYR cc_start: 0.8427 (OUTLIER) cc_final: 0.7610 (m-80) REVERT: A 960 MET cc_start: 0.7446 (OUTLIER) cc_final: 0.7110 (tpt) REVERT: A 961 MET cc_start: 0.4644 (OUTLIER) cc_final: 0.3358 (ptp) REVERT: A 1039 LEU cc_start: 0.6352 (OUTLIER) cc_final: 0.6150 (tp) REVERT: A 1076 ARG cc_start: 0.9134 (OUTLIER) cc_final: 0.8136 (ptt90) REVERT: A 1087 ARG cc_start: 0.9168 (OUTLIER) cc_final: 0.8630 (mtt90) REVERT: A 1093 GLU cc_start: 0.8498 (OUTLIER) cc_final: 0.8008 (tm-30) REVERT: A 1100 MET cc_start: 0.8040 (pmm) cc_final: 0.7503 (pmm) REVERT: A 1120 LEU cc_start: 0.9044 (OUTLIER) cc_final: 0.8826 (mm) REVERT: A 1226 PHE cc_start: 0.9526 (OUTLIER) cc_final: 0.9323 (t80) REVERT: A 1254 HIS cc_start: 0.8777 (OUTLIER) cc_final: 0.8276 (m-70) REVERT: A 1260 MET cc_start: 0.8325 (ppp) cc_final: 0.7700 (ppp) REVERT: A 1595 LEU cc_start: 0.9332 (OUTLIER) cc_final: 0.9076 (mp) REVERT: A 1605 TRP cc_start: 0.8862 (OUTLIER) cc_final: 0.8290 (m-10) REVERT: A 1648 MET cc_start: 0.9200 (OUTLIER) cc_final: 0.8667 (ttm) REVERT: A 1652 GLU cc_start: 0.9186 (OUTLIER) cc_final: 0.8342 (pp20) REVERT: A 1721 GLU cc_start: 0.8876 (OUTLIER) cc_final: 0.8433 (tm-30) REVERT: A 1772 ARG cc_start: 0.8693 (OUTLIER) cc_final: 0.8053 (mmt180) REVERT: A 1842 LEU cc_start: 0.9202 (OUTLIER) cc_final: 0.8772 (pp) REVERT: A 1861 GLN cc_start: 0.8929 (OUTLIER) cc_final: 0.8694 (tm-30) REVERT: A 1928 GLN cc_start: 0.9449 (OUTLIER) cc_final: 0.9192 (mt0) REVERT: A 1929 MET cc_start: 0.8585 (mpt) cc_final: 0.8068 (mpt) REVERT: A 1997 GLU cc_start: 0.7937 (OUTLIER) cc_final: 0.7482 (mp0) REVERT: A 2104 ARG cc_start: 0.9288 (OUTLIER) cc_final: 0.8887 (ptt-90) REVERT: A 2118 ARG cc_start: 0.9240 (OUTLIER) cc_final: 0.8849 (ttp80) REVERT: A 2120 MET cc_start: 0.8955 (OUTLIER) cc_final: 0.8609 (ppp) REVERT: A 2186 MET cc_start: 0.9397 (OUTLIER) cc_final: 0.8962 (mmm) REVERT: A 2228 MET cc_start: 0.9052 (OUTLIER) cc_final: 0.8758 (mmm) REVERT: A 2330 ARG cc_start: 0.8264 (OUTLIER) cc_final: 0.7843 (ttt180) REVERT: A 2472 LEU cc_start: 0.8496 (OUTLIER) cc_final: 0.7863 (mt) REVERT: A 2811 GLU cc_start: 0.8344 (OUTLIER) cc_final: 0.7840 (pm20) REVERT: A 2935 TYR cc_start: 0.6303 (OUTLIER) cc_final: 0.5375 (m-80) REVERT: A 3697 PRO cc_start: 0.9365 (OUTLIER) cc_final: 0.9087 (Cg_endo) REVERT: A 3718 GLU cc_start: 0.9499 (OUTLIER) cc_final: 0.9117 (mm-30) REVERT: A 3725 TYR cc_start: 0.9555 (OUTLIER) cc_final: 0.9019 (t80) REVERT: A 3729 MET cc_start: 0.8523 (ppp) cc_final: 0.8309 (ppp) REVERT: A 3753 PHE cc_start: 0.8429 (OUTLIER) cc_final: 0.8065 (t80) REVERT: A 3875 MET cc_start: 0.8718 (tpt) cc_final: 0.8333 (tpt) REVERT: A 3890 LEU cc_start: 0.9308 (OUTLIER) cc_final: 0.9087 (tp) REVERT: A 3937 TYR cc_start: 0.8301 (OUTLIER) cc_final: 0.7943 (m-10) REVERT: A 3986 TRP cc_start: 0.9161 (OUTLIER) cc_final: 0.8489 (m100) REVERT: A 4088 ILE cc_start: 0.6954 (OUTLIER) cc_final: 0.6728 (tt) REVERT: A 4133 GLN cc_start: 0.8840 (OUTLIER) cc_final: 0.8496 (tp40) REVERT: A 4205 TRP cc_start: 0.8971 (OUTLIER) cc_final: 0.8730 (t-100) REVERT: A 4212 GLU cc_start: 0.9372 (OUTLIER) cc_final: 0.8998 (pp20) REVERT: A 4640 GLU cc_start: 0.8153 (OUTLIER) cc_final: 0.7620 (tp30) REVERT: A 4643 LEU cc_start: 0.8474 (OUTLIER) cc_final: 0.8001 (tt) REVERT: A 4674 GLU cc_start: 0.9528 (OUTLIER) cc_final: 0.9223 (tp30) REVERT: A 4780 PHE cc_start: 0.9234 (OUTLIER) cc_final: 0.8880 (m-80) REVERT: A 4807 PHE cc_start: 0.6866 (OUTLIER) cc_final: 0.6387 (p90) REVERT: A 4818 MET cc_start: 0.7834 (OUTLIER) cc_final: 0.7202 (tpt) REVERT: A 4913 ARG cc_start: 0.8099 (OUTLIER) cc_final: 0.7786 (ttm170) REVERT: A 4922 PHE cc_start: 0.9117 (OUTLIER) cc_final: 0.8281 (t80) REVERT: B 12 GLN cc_start: 0.7988 (OUTLIER) cc_final: 0.7525 (mm110) REVERT: B 15 ARG cc_start: 0.8118 (OUTLIER) cc_final: 0.7555 (mtm-85) REVERT: B 71 GLN cc_start: 0.8938 (OUTLIER) cc_final: 0.8465 (pm20) REVERT: B 121 LEU cc_start: 0.8671 (OUTLIER) cc_final: 0.8148 (mm) REVERT: B 152 PRO cc_start: 0.9441 (OUTLIER) cc_final: 0.9128 (Cg_exo) REVERT: B 179 TYR cc_start: 0.7914 (OUTLIER) cc_final: 0.7445 (p90) REVERT: B 246 TYR cc_start: 0.9029 (OUTLIER) cc_final: 0.8334 (t80) REVERT: B 247 TYR cc_start: 0.8815 (OUTLIER) cc_final: 0.8378 (m-80) REVERT: B 497 TYR cc_start: 0.9022 (OUTLIER) cc_final: 0.8452 (m-80) REVERT: B 510 GLU cc_start: 0.9258 (OUTLIER) cc_final: 0.8722 (pm20) REVERT: B 580 GLU cc_start: 0.9053 (OUTLIER) cc_final: 0.8696 (tm-30) REVERT: B 581 ASN cc_start: 0.8937 (OUTLIER) cc_final: 0.8606 (p0) REVERT: B 663 TYR cc_start: 0.6790 (OUTLIER) cc_final: 0.5800 (t80) REVERT: B 714 TYR cc_start: 0.8436 (OUTLIER) cc_final: 0.7617 (m-80) REVERT: B 735 GLN cc_start: 0.8498 (OUTLIER) cc_final: 0.7986 (tp40) REVERT: B 960 MET cc_start: 0.7538 (OUTLIER) cc_final: 0.7101 (tpt) REVERT: B 961 MET cc_start: 0.4471 (OUTLIER) cc_final: 0.3223 (ptp) REVERT: B 1039 LEU cc_start: 0.6343 (OUTLIER) cc_final: 0.6140 (tp) REVERT: B 1087 ARG cc_start: 0.9176 (OUTLIER) cc_final: 0.8650 (mtt90) REVERT: B 1093 GLU cc_start: 0.8482 (OUTLIER) cc_final: 0.7984 (tm-30) REVERT: B 1100 MET cc_start: 0.7965 (pmm) cc_final: 0.7435 (pmm) REVERT: B 1120 LEU cc_start: 0.9045 (OUTLIER) cc_final: 0.8833 (mm) REVERT: B 1226 PHE cc_start: 0.9537 (OUTLIER) cc_final: 0.9293 (t80) REVERT: B 1254 HIS cc_start: 0.8754 (OUTLIER) cc_final: 0.8247 (m-70) REVERT: B 1260 MET cc_start: 0.8331 (ppp) cc_final: 0.7703 (ppp) REVERT: B 1595 LEU cc_start: 0.9314 (OUTLIER) cc_final: 0.9108 (mp) REVERT: B 1605 TRP cc_start: 0.8885 (OUTLIER) cc_final: 0.8650 (m-10) REVERT: B 1648 MET cc_start: 0.9203 (OUTLIER) cc_final: 0.8670 (ttm) REVERT: B 1652 GLU cc_start: 0.9180 (OUTLIER) cc_final: 0.8342 (pp20) REVERT: B 1721 GLU cc_start: 0.8883 (OUTLIER) cc_final: 0.8420 (tm-30) REVERT: B 1772 ARG cc_start: 0.8699 (OUTLIER) cc_final: 0.8053 (mmt180) REVERT: B 1842 LEU cc_start: 0.9195 (OUTLIER) cc_final: 0.8767 (pp) REVERT: B 1861 GLN cc_start: 0.8940 (OUTLIER) cc_final: 0.8726 (tm-30) REVERT: B 1928 GLN cc_start: 0.9459 (OUTLIER) cc_final: 0.9199 (mt0) REVERT: B 1929 MET cc_start: 0.8464 (mpt) cc_final: 0.7962 (mpt) REVERT: B 1997 GLU cc_start: 0.7962 (OUTLIER) cc_final: 0.7497 (mp0) REVERT: B 2104 ARG cc_start: 0.9288 (OUTLIER) cc_final: 0.8890 (ptt-90) REVERT: B 2118 ARG cc_start: 0.9239 (OUTLIER) cc_final: 0.8852 (ttp80) REVERT: B 2120 MET cc_start: 0.8967 (OUTLIER) cc_final: 0.8601 (ppp) REVERT: B 2178 MET cc_start: 0.9115 (ppp) cc_final: 0.8914 (ppp) REVERT: B 2186 MET cc_start: 0.9403 (OUTLIER) cc_final: 0.9027 (mmm) REVERT: B 2228 MET cc_start: 0.9064 (OUTLIER) cc_final: 0.8797 (mmm) REVERT: B 2330 ARG cc_start: 0.8264 (OUTLIER) cc_final: 0.7821 (ttt180) REVERT: B 2472 LEU cc_start: 0.8505 (OUTLIER) cc_final: 0.7872 (mt) REVERT: B 2935 TYR cc_start: 0.6294 (OUTLIER) cc_final: 0.5333 (m-80) REVERT: B 3697 PRO cc_start: 0.9361 (OUTLIER) cc_final: 0.9084 (Cg_endo) REVERT: B 3718 GLU cc_start: 0.9499 (OUTLIER) cc_final: 0.9120 (mm-30) REVERT: B 3725 TYR cc_start: 0.9559 (OUTLIER) cc_final: 0.9008 (t80) REVERT: B 3729 MET cc_start: 0.8549 (ppp) cc_final: 0.8331 (ppp) REVERT: B 3753 PHE cc_start: 0.8973 (OUTLIER) cc_final: 0.8563 (t80) REVERT: B 3875 MET cc_start: 0.8757 (tpt) cc_final: 0.8284 (tpt) REVERT: B 3890 LEU cc_start: 0.9285 (OUTLIER) cc_final: 0.9079 (tp) REVERT: B 3937 TYR cc_start: 0.8361 (OUTLIER) cc_final: 0.8020 (m-80) REVERT: B 3970 GLN cc_start: 0.8713 (OUTLIER) cc_final: 0.8395 (tm-30) REVERT: B 3986 TRP cc_start: 0.9168 (OUTLIER) cc_final: 0.8434 (m100) REVERT: B 4088 ILE cc_start: 0.6956 (OUTLIER) cc_final: 0.6739 (tt) REVERT: B 4133 GLN cc_start: 0.8851 (OUTLIER) cc_final: 0.8496 (tp40) REVERT: B 4195 PHE cc_start: 0.9225 (OUTLIER) cc_final: 0.8729 (p90) REVERT: B 4205 TRP cc_start: 0.8941 (OUTLIER) cc_final: 0.8679 (t-100) REVERT: B 4212 GLU cc_start: 0.9368 (OUTLIER) cc_final: 0.9062 (pp20) REVERT: B 4639 MET cc_start: 0.1706 (ptt) cc_final: 0.0339 (mtt) REVERT: B 4640 GLU cc_start: 0.8071 (OUTLIER) cc_final: 0.7844 (tp30) REVERT: B 4643 LEU cc_start: 0.8479 (OUTLIER) cc_final: 0.8044 (tt) REVERT: B 4674 GLU cc_start: 0.9465 (OUTLIER) cc_final: 0.9217 (tp30) REVERT: B 4780 PHE cc_start: 0.9235 (OUTLIER) cc_final: 0.8881 (m-80) REVERT: B 4807 PHE cc_start: 0.6858 (OUTLIER) cc_final: 0.6433 (p90) REVERT: B 4818 MET cc_start: 0.7835 (OUTLIER) cc_final: 0.7200 (tpt) REVERT: B 4849 TYR cc_start: 0.8875 (OUTLIER) cc_final: 0.8294 (t80) REVERT: B 4913 ARG cc_start: 0.8094 (OUTLIER) cc_final: 0.7777 (ttm170) REVERT: B 4954 MET cc_start: 0.7562 (OUTLIER) cc_final: 0.6692 (tmm) REVERT: C 12 GLN cc_start: 0.8523 (OUTLIER) cc_final: 0.8313 (mm110) REVERT: C 15 ARG cc_start: 0.8440 (OUTLIER) cc_final: 0.7916 (mtm-85) REVERT: C 71 GLN cc_start: 0.8932 (OUTLIER) cc_final: 0.8459 (pm20) REVERT: C 102 LEU cc_start: 0.9022 (OUTLIER) cc_final: 0.8760 (mp) REVERT: C 121 LEU cc_start: 0.8688 (OUTLIER) cc_final: 0.8156 (mm) REVERT: C 152 PRO cc_start: 0.9427 (OUTLIER) cc_final: 0.9127 (Cg_exo) REVERT: C 179 TYR cc_start: 0.7715 (OUTLIER) cc_final: 0.7268 (p90) REVERT: C 246 TYR cc_start: 0.9027 (OUTLIER) cc_final: 0.8287 (t80) REVERT: C 247 TYR cc_start: 0.8826 (OUTLIER) cc_final: 0.8365 (m-80) REVERT: C 394 GLN cc_start: 0.6939 (OUTLIER) cc_final: 0.6521 (mp10) REVERT: C 396 GLU cc_start: 0.9356 (OUTLIER) cc_final: 0.8780 (pp20) REVERT: C 497 TYR cc_start: 0.9031 (OUTLIER) cc_final: 0.8365 (m-80) REVERT: C 510 GLU cc_start: 0.9256 (OUTLIER) cc_final: 0.8698 (pm20) REVERT: C 580 GLU cc_start: 0.9054 (OUTLIER) cc_final: 0.8697 (tm-30) REVERT: C 581 ASN cc_start: 0.8936 (OUTLIER) cc_final: 0.8594 (p0) REVERT: C 663 TYR cc_start: 0.6807 (OUTLIER) cc_final: 0.5812 (t80) REVERT: C 714 TYR cc_start: 0.8450 (OUTLIER) cc_final: 0.7627 (m-80) REVERT: C 735 GLN cc_start: 0.8382 (OUTLIER) cc_final: 0.7802 (tp40) REVERT: C 960 MET cc_start: 0.7532 (OUTLIER) cc_final: 0.7095 (tpt) REVERT: C 961 MET cc_start: 0.4496 (OUTLIER) cc_final: 0.3252 (ptp) REVERT: C 1039 LEU cc_start: 0.6345 (OUTLIER) cc_final: 0.6143 (tp) REVERT: C 1087 ARG cc_start: 0.9179 (OUTLIER) cc_final: 0.8652 (mtt90) REVERT: C 1093 GLU cc_start: 0.8481 (OUTLIER) cc_final: 0.7992 (tm-30) REVERT: C 1100 MET cc_start: 0.7976 (pmm) cc_final: 0.7442 (pmm) REVERT: C 1120 LEU cc_start: 0.9048 (OUTLIER) cc_final: 0.8837 (mm) REVERT: C 1226 PHE cc_start: 0.9520 (OUTLIER) cc_final: 0.9305 (t80) REVERT: C 1254 HIS cc_start: 0.8776 (OUTLIER) cc_final: 0.8278 (m-70) REVERT: C 1260 MET cc_start: 0.8328 (ppp) cc_final: 0.7645 (ppp) REVERT: C 1595 LEU cc_start: 0.9305 (OUTLIER) cc_final: 0.9102 (mp) REVERT: C 1605 TRP cc_start: 0.8885 (OUTLIER) cc_final: 0.8645 (m-10) REVERT: C 1648 MET cc_start: 0.9205 (OUTLIER) cc_final: 0.8667 (ttm) REVERT: C 1652 GLU cc_start: 0.9185 (OUTLIER) cc_final: 0.8340 (pp20) REVERT: C 1721 GLU cc_start: 0.8878 (OUTLIER) cc_final: 0.8437 (tm-30) REVERT: C 1772 ARG cc_start: 0.8739 (OUTLIER) cc_final: 0.8100 (mmt180) REVERT: C 1842 LEU cc_start: 0.9197 (OUTLIER) cc_final: 0.8765 (pp) REVERT: C 1861 GLN cc_start: 0.8968 (OUTLIER) cc_final: 0.8704 (tm-30) REVERT: C 1928 GLN cc_start: 0.9451 (OUTLIER) cc_final: 0.9180 (mt0) REVERT: C 1929 MET cc_start: 0.8582 (mpt) cc_final: 0.8082 (mpt) REVERT: C 1997 GLU cc_start: 0.7947 (OUTLIER) cc_final: 0.7487 (mp0) REVERT: C 2104 ARG cc_start: 0.9291 (OUTLIER) cc_final: 0.8888 (ptt-90) REVERT: C 2118 ARG cc_start: 0.9239 (OUTLIER) cc_final: 0.8846 (ttp80) REVERT: C 2120 MET cc_start: 0.8959 (OUTLIER) cc_final: 0.8616 (ppp) REVERT: C 2186 MET cc_start: 0.9398 (OUTLIER) cc_final: 0.8962 (mmm) REVERT: C 2228 MET cc_start: 0.9051 (OUTLIER) cc_final: 0.8758 (mmm) REVERT: C 2330 ARG cc_start: 0.8256 (OUTLIER) cc_final: 0.7808 (ttt180) REVERT: C 2472 LEU cc_start: 0.8503 (OUTLIER) cc_final: 0.7870 (mt) REVERT: C 2811 GLU cc_start: 0.8808 (OUTLIER) cc_final: 0.8562 (pm20) REVERT: C 2935 TYR cc_start: 0.6325 (OUTLIER) cc_final: 0.5396 (m-80) REVERT: C 3697 PRO cc_start: 0.9362 (OUTLIER) cc_final: 0.9085 (Cg_endo) REVERT: C 3725 TYR cc_start: 0.9567 (OUTLIER) cc_final: 0.8987 (t80) REVERT: C 3729 MET cc_start: 0.8520 (ppp) cc_final: 0.8304 (ppp) REVERT: C 3753 PHE cc_start: 0.8414 (OUTLIER) cc_final: 0.7978 (t80) REVERT: C 3875 MET cc_start: 0.8724 (tpt) cc_final: 0.8332 (tpt) REVERT: C 3890 LEU cc_start: 0.9311 (OUTLIER) cc_final: 0.9087 (tp) REVERT: C 3937 TYR cc_start: 0.8304 (OUTLIER) cc_final: 0.7945 (m-10) REVERT: C 3986 TRP cc_start: 0.9170 (OUTLIER) cc_final: 0.8490 (m100) REVERT: C 4088 ILE cc_start: 0.6939 (OUTLIER) cc_final: 0.6720 (tt) REVERT: C 4195 PHE cc_start: 0.9207 (OUTLIER) cc_final: 0.8338 (p90) REVERT: C 4205 TRP cc_start: 0.8965 (OUTLIER) cc_final: 0.8680 (t-100) REVERT: C 4212 GLU cc_start: 0.9363 (OUTLIER) cc_final: 0.8990 (pp20) REVERT: C 4640 GLU cc_start: 0.8151 (OUTLIER) cc_final: 0.7633 (tp30) REVERT: C 4643 LEU cc_start: 0.8479 (OUTLIER) cc_final: 0.8003 (tt) REVERT: C 4674 GLU cc_start: 0.9527 (OUTLIER) cc_final: 0.9219 (tp30) REVERT: C 4780 PHE cc_start: 0.9238 (OUTLIER) cc_final: 0.8883 (m-80) REVERT: C 4807 PHE cc_start: 0.6878 (OUTLIER) cc_final: 0.6412 (p90) REVERT: C 4818 MET cc_start: 0.7845 (OUTLIER) cc_final: 0.7209 (tpt) REVERT: C 4849 TYR cc_start: 0.8889 (OUTLIER) cc_final: 0.8260 (t80) REVERT: C 4901 ILE cc_start: 0.6336 (OUTLIER) cc_final: 0.6039 (tp) REVERT: C 4913 ARG cc_start: 0.8159 (OUTLIER) cc_final: 0.7850 (ttm170) REVERT: C 4922 PHE cc_start: 0.9118 (OUTLIER) cc_final: 0.8285 (t80) REVERT: C 4991 PHE cc_start: 0.9504 (OUTLIER) cc_final: 0.8816 (t80) REVERT: D 12 GLN cc_start: 0.7990 (OUTLIER) cc_final: 0.7491 (mm110) REVERT: D 15 ARG cc_start: 0.8120 (OUTLIER) cc_final: 0.7563 (mtm-85) REVERT: D 71 GLN cc_start: 0.8928 (OUTLIER) cc_final: 0.8470 (pm20) REVERT: D 102 LEU cc_start: 0.9057 (OUTLIER) cc_final: 0.8846 (mt) REVERT: D 121 LEU cc_start: 0.8693 (OUTLIER) cc_final: 0.8160 (mm) REVERT: D 152 PRO cc_start: 0.9425 (OUTLIER) cc_final: 0.9112 (Cg_exo) REVERT: D 246 TYR cc_start: 0.9030 (OUTLIER) cc_final: 0.8285 (t80) REVERT: D 247 TYR cc_start: 0.8825 (OUTLIER) cc_final: 0.8367 (m-80) REVERT: D 394 GLN cc_start: 0.6875 (OUTLIER) cc_final: 0.6441 (mp10) REVERT: D 396 GLU cc_start: 0.9355 (OUTLIER) cc_final: 0.8780 (pp20) REVERT: D 471 LEU cc_start: 0.9565 (OUTLIER) cc_final: 0.9351 (pt) REVERT: D 475 GLN cc_start: 0.9224 (OUTLIER) cc_final: 0.8850 (pm20) REVERT: D 497 TYR cc_start: 0.9019 (OUTLIER) cc_final: 0.8436 (m-80) REVERT: D 510 GLU cc_start: 0.9254 (OUTLIER) cc_final: 0.8730 (pm20) REVERT: D 580 GLU cc_start: 0.9056 (OUTLIER) cc_final: 0.8697 (tm-30) REVERT: D 581 ASN cc_start: 0.8940 (OUTLIER) cc_final: 0.8594 (p0) REVERT: D 663 TYR cc_start: 0.6810 (OUTLIER) cc_final: 0.5805 (t80) REVERT: D 714 TYR cc_start: 0.8439 (OUTLIER) cc_final: 0.7607 (m-80) REVERT: D 960 MET cc_start: 0.7530 (OUTLIER) cc_final: 0.7094 (tpt) REVERT: D 961 MET cc_start: 0.4490 (OUTLIER) cc_final: 0.3221 (ptp) REVERT: D 1039 LEU cc_start: 0.6348 (OUTLIER) cc_final: 0.6147 (tp) REVERT: D 1076 ARG cc_start: 0.9129 (OUTLIER) cc_final: 0.8113 (ptt90) REVERT: D 1087 ARG cc_start: 0.9191 (OUTLIER) cc_final: 0.8637 (mtt90) REVERT: D 1093 GLU cc_start: 0.8479 (OUTLIER) cc_final: 0.7990 (tm-30) REVERT: D 1100 MET cc_start: 0.7970 (pmm) cc_final: 0.7445 (pmm) REVERT: D 1226 PHE cc_start: 0.9524 (OUTLIER) cc_final: 0.9318 (t80) REVERT: D 1254 HIS cc_start: 0.8754 (OUTLIER) cc_final: 0.8245 (m-70) REVERT: D 1260 MET cc_start: 0.8330 (ppp) cc_final: 0.7701 (ppp) REVERT: D 1595 LEU cc_start: 0.9317 (OUTLIER) cc_final: 0.9107 (mp) REVERT: D 1605 TRP cc_start: 0.8896 (OUTLIER) cc_final: 0.8312 (m-10) REVERT: D 1648 MET cc_start: 0.9204 (OUTLIER) cc_final: 0.8685 (ttm) REVERT: D 1652 GLU cc_start: 0.9182 (OUTLIER) cc_final: 0.8348 (pp20) REVERT: D 1721 GLU cc_start: 0.8876 (OUTLIER) cc_final: 0.8432 (tm-30) REVERT: D 1760 HIS cc_start: 0.6485 (OUTLIER) cc_final: 0.6256 (m90) REVERT: D 1772 ARG cc_start: 0.8784 (OUTLIER) cc_final: 0.8127 (mmt180) REVERT: D 1842 LEU cc_start: 0.9198 (OUTLIER) cc_final: 0.8769 (pp) REVERT: D 1861 GLN cc_start: 0.8968 (OUTLIER) cc_final: 0.8703 (tm-30) REVERT: D 1928 GLN cc_start: 0.9448 (OUTLIER) cc_final: 0.9190 (mt0) REVERT: D 1929 MET cc_start: 0.8591 (mpt) cc_final: 0.8075 (mpt) REVERT: D 1997 GLU cc_start: 0.7974 (OUTLIER) cc_final: 0.7504 (mp0) REVERT: D 2104 ARG cc_start: 0.9303 (OUTLIER) cc_final: 0.8943 (ptt-90) REVERT: D 2118 ARG cc_start: 0.9221 (OUTLIER) cc_final: 0.8826 (ttp80) REVERT: D 2120 MET cc_start: 0.8936 (OUTLIER) cc_final: 0.8614 (ppp) REVERT: D 2186 MET cc_start: 0.9399 (OUTLIER) cc_final: 0.8961 (mmm) REVERT: D 2228 MET cc_start: 0.9045 (OUTLIER) cc_final: 0.8742 (mmm) REVERT: D 2330 ARG cc_start: 0.8256 (OUTLIER) cc_final: 0.7814 (ttt180) REVERT: D 2472 LEU cc_start: 0.8501 (OUTLIER) cc_final: 0.7867 (mt) REVERT: D 2811 GLU cc_start: 0.8816 (OUTLIER) cc_final: 0.8572 (pm20) REVERT: D 2874 MET cc_start: 0.3919 (mtt) cc_final: 0.3688 (ttt) REVERT: D 2935 TYR cc_start: 0.6343 (OUTLIER) cc_final: 0.5426 (m-80) REVERT: D 3697 PRO cc_start: 0.9364 (OUTLIER) cc_final: 0.9083 (Cg_endo) REVERT: D 3718 GLU cc_start: 0.9461 (OUTLIER) cc_final: 0.9069 (mm-30) REVERT: D 3725 TYR cc_start: 0.9557 (OUTLIER) cc_final: 0.9016 (t80) REVERT: D 3729 MET cc_start: 0.8498 (ppp) cc_final: 0.8288 (ppp) REVERT: D 3750 GLU cc_start: 0.8363 (OUTLIER) cc_final: 0.8046 (tm-30) REVERT: D 3753 PHE cc_start: 0.8458 (OUTLIER) cc_final: 0.8039 (t80) REVERT: D 3875 MET cc_start: 0.8739 (tpt) cc_final: 0.8277 (tpt) REVERT: D 3890 LEU cc_start: 0.9287 (OUTLIER) cc_final: 0.9059 (tp) REVERT: D 3937 TYR cc_start: 0.8370 (OUTLIER) cc_final: 0.8028 (m-10) REVERT: D 3970 GLN cc_start: 0.8702 (OUTLIER) cc_final: 0.8392 (tm-30) REVERT: D 3986 TRP cc_start: 0.9178 (OUTLIER) cc_final: 0.8686 (m100) REVERT: D 4088 ILE cc_start: 0.6939 (OUTLIER) cc_final: 0.6725 (tt) REVERT: D 4133 GLN cc_start: 0.8851 (OUTLIER) cc_final: 0.8500 (tp40) REVERT: D 4195 PHE cc_start: 0.9167 (OUTLIER) cc_final: 0.8688 (p90) REVERT: D 4205 TRP cc_start: 0.9044 (OUTLIER) cc_final: 0.8763 (t-100) REVERT: D 4212 GLU cc_start: 0.9378 (OUTLIER) cc_final: 0.9012 (pp20) REVERT: D 4643 LEU cc_start: 0.8516 (OUTLIER) cc_final: 0.8252 (mt) REVERT: D 4674 GLU cc_start: 0.9510 (OUTLIER) cc_final: 0.9201 (tp30) REVERT: D 4780 PHE cc_start: 0.9235 (OUTLIER) cc_final: 0.8826 (m-80) REVERT: D 4818 MET cc_start: 0.7878 (OUTLIER) cc_final: 0.7201 (tpt) REVERT: D 4913 ARG cc_start: 0.8182 (OUTLIER) cc_final: 0.7855 (ttm170) REVERT: D 4922 PHE cc_start: 0.9116 (OUTLIER) cc_final: 0.8286 (t80) outliers start: 3012 outliers final: 2155 residues processed: 3352 average time/residue: 0.9500 time to fit residues: 5703.6299 Evaluate side-chains 2887 residues out of total 11344 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2414 poor density : 473 time to evaluate : 8.841 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 12 GLN Chi-restraints excluded: chain A residue 14 LEU Chi-restraints excluded: chain A residue 15 ARG Chi-restraints excluded: chain A residue 16 THR Chi-restraints excluded: chain A residue 17 ASP Chi-restraints excluded: chain A residue 18 ASP Chi-restraints excluded: chain A residue 19 GLU Chi-restraints excluded: chain A residue 29 LEU Chi-restraints excluded: chain A residue 32 GLN Chi-restraints excluded: chain A residue 35 LEU Chi-restraints excluded: chain A residue 40 GLU Chi-restraints excluded: chain A residue 44 ASN Chi-restraints excluded: chain A residue 49 LEU Chi-restraints excluded: chain A residue 62 LEU Chi-restraints excluded: chain A residue 66 CYS Chi-restraints excluded: chain A residue 69 LEU Chi-restraints excluded: chain A residue 70 GLU Chi-restraints excluded: chain A residue 73 LEU Chi-restraints excluded: chain A residue 74 SER Chi-restraints excluded: chain A residue 75 VAL Chi-restraints excluded: chain A residue 76 ARG Chi-restraints excluded: chain A residue 78 LEU Chi-restraints excluded: chain A residue 81 MET Chi-restraints excluded: chain A residue 100 THR Chi-restraints excluded: chain A residue 102 LEU Chi-restraints excluded: chain A residue 111 HIS Chi-restraints excluded: chain A residue 113 HIS Chi-restraints excluded: chain A residue 121 LEU Chi-restraints excluded: chain A residue 123 THR Chi-restraints excluded: chain A residue 124 SER Chi-restraints excluded: chain A residue 133 PHE Chi-restraints excluded: chain A residue 134 ASP Chi-restraints excluded: chain A residue 135 VAL Chi-restraints excluded: chain A residue 142 THR Chi-restraints excluded: chain A residue 144 GLU Chi-restraints excluded: chain A residue 149 THR Chi-restraints excluded: chain A residue 152 PRO Chi-restraints excluded: chain A residue 156 GLN Chi-restraints excluded: chain A residue 163 VAL Chi-restraints excluded: chain A residue 165 VAL Chi-restraints excluded: chain A residue 167 ASP Chi-restraints excluded: chain A residue 169 LEU Chi-restraints excluded: chain A residue 173 SER Chi-restraints excluded: chain A residue 176 SER Chi-restraints excluded: chain A residue 179 TYR Chi-restraints excluded: chain A residue 181 HIS Chi-restraints excluded: chain A residue 183 SER Chi-restraints excluded: chain A residue 189 LEU Chi-restraints excluded: chain A residue 191 VAL Chi-restraints excluded: chain A residue 194 SER Chi-restraints excluded: chain A residue 205 ILE Chi-restraints excluded: chain A residue 208 CYS Chi-restraints excluded: chain A residue 210 GLU Chi-restraints excluded: chain A residue 211 GLU Chi-restraints excluded: chain A residue 222 LEU Chi-restraints excluded: chain A residue 238 SER Chi-restraints excluded: chain A residue 240 ASP Chi-restraints excluded: chain A residue 244 LEU Chi-restraints excluded: chain A residue 246 TYR Chi-restraints excluded: chain A residue 247 TYR Chi-restraints excluded: chain A residue 257 ARG Chi-restraints excluded: chain A residue 262 LEU Chi-restraints excluded: chain A residue 263 GLU Chi-restraints excluded: chain A residue 270 SER Chi-restraints excluded: chain A residue 282 ILE Chi-restraints excluded: chain A residue 283 ARG Chi-restraints excluded: chain A residue 286 THR Chi-restraints excluded: chain A residue 293 LEU Chi-restraints excluded: chain A residue 294 THR Chi-restraints excluded: chain A residue 299 LEU Chi-restraints excluded: chain A residue 301 VAL Chi-restraints excluded: chain A residue 313 SER Chi-restraints excluded: chain A residue 343 GLU Chi-restraints excluded: chain A residue 357 LEU Chi-restraints excluded: chain A residue 358 THR Chi-restraints excluded: chain A residue 359 TYR Chi-restraints excluded: chain A residue 373 LYS Chi-restraints excluded: chain A residue 381 GLU Chi-restraints excluded: chain A residue 390 LEU Chi-restraints excluded: chain A residue 394 GLN Chi-restraints excluded: chain A residue 396 GLU Chi-restraints excluded: chain A residue 397 GLU Chi-restraints excluded: chain A residue 398 SER Chi-restraints excluded: chain A residue 403 MET Chi-restraints excluded: chain A residue 404 ILE Chi-restraints excluded: chain A residue 410 LEU Chi-restraints excluded: chain A residue 415 ILE Chi-restraints excluded: chain A residue 438 ILE Chi-restraints excluded: chain A residue 439 GLU Chi-restraints excluded: chain A residue 442 ILE Chi-restraints excluded: chain A residue 447 ASP Chi-restraints excluded: chain A residue 452 PHE Chi-restraints excluded: chain A residue 455 PRO Chi-restraints excluded: chain A residue 469 ARG Chi-restraints excluded: chain A residue 475 GLN Chi-restraints excluded: chain A residue 483 MET Chi-restraints excluded: chain A residue 485 SER Chi-restraints excluded: chain A residue 486 LEU Chi-restraints excluded: chain A residue 487 VAL Chi-restraints excluded: chain A residue 488 LEU Chi-restraints excluded: chain A residue 491 ILE Chi-restraints excluded: chain A residue 497 TYR Chi-restraints excluded: chain A residue 506 TYR Chi-restraints excluded: chain A residue 510 GLU Chi-restraints excluded: chain A residue 513 GLU Chi-restraints excluded: chain A residue 514 SER Chi-restraints excluded: chain A residue 517 GLU Chi-restraints excluded: chain A residue 519 VAL Chi-restraints excluded: chain A residue 521 LEU Chi-restraints excluded: chain A residue 522 LEU Chi-restraints excluded: chain A residue 526 LEU Chi-restraints excluded: chain A residue 529 LEU Chi-restraints excluded: chain A residue 530 ILE Chi-restraints excluded: chain A residue 533 ASN Chi-restraints excluded: chain A residue 536 ASN Chi-restraints excluded: chain A residue 539 LEU Chi-restraints excluded: chain A residue 540 PHE Chi-restraints excluded: chain A residue 541 SER Chi-restraints excluded: chain A residue 547 VAL Chi-restraints excluded: chain A residue 561 LEU Chi-restraints excluded: chain A residue 563 VAL Chi-restraints excluded: chain A residue 564 LEU Chi-restraints excluded: chain A residue 569 ILE Chi-restraints excluded: chain A residue 575 LEU Chi-restraints excluded: chain A residue 579 GLN Chi-restraints excluded: chain A residue 580 GLU Chi-restraints excluded: chain A residue 581 ASN Chi-restraints excluded: chain A residue 586 ILE Chi-restraints excluded: chain A residue 590 LEU Chi-restraints excluded: chain A residue 591 ASP Chi-restraints excluded: chain A residue 599 VAL Chi-restraints excluded: chain A residue 602 VAL Chi-restraints excluded: chain A residue 605 SER Chi-restraints excluded: chain A residue 609 CYS Chi-restraints excluded: chain A residue 614 VAL Chi-restraints excluded: chain A residue 621 ILE Chi-restraints excluded: chain A residue 631 LEU Chi-restraints excluded: chain A residue 635 THR Chi-restraints excluded: chain A residue 638 ILE Chi-restraints excluded: chain A residue 642 THR Chi-restraints excluded: chain A residue 661 LYS Chi-restraints excluded: chain A residue 663 TYR Chi-restraints excluded: chain A residue 665 GLU Chi-restraints excluded: chain A residue 667 MET Chi-restraints excluded: chain A residue 669 ASP Chi-restraints excluded: chain A residue 676 THR Chi-restraints excluded: chain A residue 680 THR Chi-restraints excluded: chain A residue 682 LEU Chi-restraints excluded: chain A residue 684 VAL Chi-restraints excluded: chain A residue 695 TYR Chi-restraints excluded: chain A residue 702 TRP Chi-restraints excluded: chain A residue 709 ASP Chi-restraints excluded: chain A residue 710 ASP Chi-restraints excluded: chain A residue 712 TYR Chi-restraints excluded: chain A residue 714 TYR Chi-restraints excluded: chain A residue 719 LEU Chi-restraints excluded: chain A residue 737 LEU Chi-restraints excluded: chain A residue 748 LEU Chi-restraints excluded: chain A residue 751 SER Chi-restraints excluded: chain A residue 752 VAL Chi-restraints excluded: chain A residue 754 SER Chi-restraints excluded: chain A residue 756 SER Chi-restraints excluded: chain A residue 757 PHE Chi-restraints excluded: chain A residue 760 ASN Chi-restraints excluded: chain A residue 771 PHE Chi-restraints excluded: chain A residue 783 PHE Chi-restraints excluded: chain A residue 784 SER Chi-restraints excluded: chain A residue 815 VAL Chi-restraints excluded: chain A residue 822 ARG Chi-restraints excluded: chain A residue 829 TYR Chi-restraints excluded: chain A residue 839 LEU Chi-restraints excluded: chain A residue 840 VAL Chi-restraints excluded: chain A residue 867 LEU Chi-restraints excluded: chain A residue 869 ARG Chi-restraints excluded: chain A residue 886 ARG Chi-restraints excluded: chain A residue 896 VAL Chi-restraints excluded: chain A residue 900 ASN Chi-restraints excluded: chain A residue 908 VAL Chi-restraints excluded: chain A residue 910 PHE Chi-restraints excluded: chain A residue 923 GLN Chi-restraints excluded: chain A residue 928 THR Chi-restraints excluded: chain A residue 948 ASP Chi-restraints excluded: chain A residue 960 MET Chi-restraints excluded: chain A residue 961 MET Chi-restraints excluded: chain A residue 965 TYR Chi-restraints excluded: chain A residue 971 ASP Chi-restraints excluded: chain A residue 972 LEU Chi-restraints excluded: chain A residue 974 HIS Chi-restraints excluded: chain A residue 978 THR Chi-restraints excluded: chain A residue 1036 ARG Chi-restraints excluded: chain A residue 1037 ASP Chi-restraints excluded: chain A residue 1039 LEU Chi-restraints excluded: chain A residue 1045 THR Chi-restraints excluded: chain A residue 1072 VAL Chi-restraints excluded: chain A residue 1076 ARG Chi-restraints excluded: chain A residue 1078 GLU Chi-restraints excluded: chain A residue 1081 TYR Chi-restraints excluded: chain A residue 1087 ARG Chi-restraints excluded: chain A residue 1093 GLU Chi-restraints excluded: chain A residue 1101 ARG Chi-restraints excluded: chain A residue 1108 GLU Chi-restraints excluded: chain A residue 1120 LEU Chi-restraints excluded: chain A residue 1127 HIS Chi-restraints excluded: chain A residue 1132 TRP Chi-restraints excluded: chain A residue 1133 HIS Chi-restraints excluded: chain A residue 1134 LEU Chi-restraints excluded: chain A residue 1139 PHE Chi-restraints excluded: chain A residue 1143 TRP Chi-restraints excluded: chain A residue 1158 ASN Chi-restraints excluded: chain A residue 1163 THR Chi-restraints excluded: chain A residue 1169 LEU Chi-restraints excluded: chain A residue 1170 MET Chi-restraints excluded: chain A residue 1172 ASP Chi-restraints excluded: chain A residue 1184 ILE Chi-restraints excluded: chain A residue 1191 VAL Chi-restraints excluded: chain A residue 1201 HIS Chi-restraints excluded: chain A residue 1203 ASN Chi-restraints excluded: chain A residue 1209 SER Chi-restraints excluded: chain A residue 1219 LEU Chi-restraints excluded: chain A residue 1226 PHE Chi-restraints excluded: chain A residue 1235 THR Chi-restraints excluded: chain A residue 1240 LYS Chi-restraints excluded: chain A residue 1242 LEU Chi-restraints excluded: chain A residue 1245 PHE Chi-restraints excluded: chain A residue 1248 VAL Chi-restraints excluded: chain A residue 1251 GLU Chi-restraints excluded: chain A residue 1254 HIS Chi-restraints excluded: chain A residue 1266 THR Chi-restraints excluded: chain A residue 1272 LEU Chi-restraints excluded: chain A residue 1575 LEU Chi-restraints excluded: chain A residue 1595 LEU Chi-restraints excluded: chain A residue 1597 VAL Chi-restraints excluded: chain A residue 1600 LEU Chi-restraints excluded: chain A residue 1601 MET Chi-restraints excluded: chain A residue 1605 TRP Chi-restraints excluded: chain A residue 1608 MET Chi-restraints excluded: chain A residue 1613 LEU Chi-restraints excluded: chain A residue 1636 MET Chi-restraints excluded: chain A residue 1639 LEU Chi-restraints excluded: chain A residue 1641 ILE Chi-restraints excluded: chain A residue 1648 MET Chi-restraints excluded: chain A residue 1649 ASP Chi-restraints excluded: chain A residue 1652 GLU Chi-restraints excluded: chain A residue 1654 SER Chi-restraints excluded: chain A residue 1657 LEU Chi-restraints excluded: chain A residue 1658 ASP Chi-restraints excluded: chain A residue 1661 ARG Chi-restraints excluded: chain A residue 1666 THR Chi-restraints excluded: chain A residue 1673 VAL Chi-restraints excluded: chain A residue 1679 ASN Chi-restraints excluded: chain A residue 1694 LEU Chi-restraints excluded: chain A residue 1695 LEU Chi-restraints excluded: chain A residue 1699 GLU Chi-restraints excluded: chain A residue 1700 ASP Chi-restraints excluded: chain A residue 1703 LEU Chi-restraints excluded: chain A residue 1707 LEU Chi-restraints excluded: chain A residue 1713 ASP Chi-restraints excluded: chain A residue 1720 LEU Chi-restraints excluded: chain A residue 1721 GLU Chi-restraints excluded: chain A residue 1731 LEU Chi-restraints excluded: chain A residue 1738 LEU Chi-restraints excluded: chain A residue 1739 THR Chi-restraints excluded: chain A residue 1743 ARG Chi-restraints excluded: chain A residue 1768 THR Chi-restraints excluded: chain A residue 1770 SER Chi-restraints excluded: chain A residue 1772 ARG Chi-restraints excluded: chain A residue 1778 SER Chi-restraints excluded: chain A residue 1797 ARG Chi-restraints excluded: chain A residue 1798 LEU Chi-restraints excluded: chain A residue 1819 VAL Chi-restraints excluded: chain A residue 1839 VAL Chi-restraints excluded: chain A residue 1842 LEU Chi-restraints excluded: chain A residue 1844 LEU Chi-restraints excluded: chain A residue 1848 LEU Chi-restraints excluded: chain A residue 1850 VAL Chi-restraints excluded: chain A residue 1853 ILE Chi-restraints excluded: chain A residue 1856 ASP Chi-restraints excluded: chain A residue 1857 GLU Chi-restraints excluded: chain A residue 1861 GLN Chi-restraints excluded: chain A residue 1870 VAL Chi-restraints excluded: chain A residue 1928 GLN Chi-restraints excluded: chain A residue 1935 VAL Chi-restraints excluded: chain A residue 1939 MET Chi-restraints excluded: chain A residue 1942 LEU Chi-restraints excluded: chain A residue 1943 LEU Chi-restraints excluded: chain A residue 1944 GLU Chi-restraints excluded: chain A residue 1947 CYS Chi-restraints excluded: chain A residue 1951 LEU Chi-restraints excluded: chain A residue 1958 LEU Chi-restraints excluded: chain A residue 1963 GLU Chi-restraints excluded: chain A residue 1966 VAL Chi-restraints excluded: chain A residue 1968 LYS Chi-restraints excluded: chain A residue 1976 ARG Chi-restraints excluded: chain A residue 1996 ARG Chi-restraints excluded: chain A residue 1997 GLU Chi-restraints excluded: chain A residue 2028 ARG Chi-restraints excluded: chain A residue 2030 ASP Chi-restraints excluded: chain A residue 2031 LEU Chi-restraints excluded: chain A residue 2034 PHE Chi-restraints excluded: chain A residue 2035 HIS Chi-restraints excluded: chain A residue 2095 GLN Chi-restraints excluded: chain A residue 2098 VAL Chi-restraints excluded: chain A residue 2101 MET Chi-restraints excluded: chain A residue 2103 VAL Chi-restraints excluded: chain A residue 2104 ARG Chi-restraints excluded: chain A residue 2115 GLU Chi-restraints excluded: chain A residue 2117 VAL Chi-restraints excluded: chain A residue 2118 ARG Chi-restraints excluded: chain A residue 2120 MET Chi-restraints excluded: chain A residue 2122 SER Chi-restraints excluded: chain A residue 2125 HIS Chi-restraints excluded: chain A residue 2128 TYR Chi-restraints excluded: chain A residue 2138 LEU Chi-restraints excluded: chain A residue 2143 THR Chi-restraints excluded: chain A residue 2148 SER Chi-restraints excluded: chain A residue 2150 GLU Chi-restraints excluded: chain A residue 2155 LEU Chi-restraints excluded: chain A residue 2164 SER Chi-restraints excluded: chain A residue 2166 LEU Chi-restraints excluded: chain A residue 2169 GLN Chi-restraints excluded: chain A residue 2184 ASN Chi-restraints excluded: chain A residue 2185 ILE Chi-restraints excluded: chain A residue 2186 MET Chi-restraints excluded: chain A residue 2187 ASN Chi-restraints excluded: chain A residue 2188 ASN Chi-restraints excluded: chain A residue 2189 LYS Chi-restraints excluded: chain A residue 2203 MET Chi-restraints excluded: chain A residue 2207 VAL Chi-restraints excluded: chain A residue 2225 PHE Chi-restraints excluded: chain A residue 2228 MET Chi-restraints excluded: chain A residue 2229 VAL Chi-restraints excluded: chain A residue 2231 SER Chi-restraints excluded: chain A residue 2232 CYS Chi-restraints excluded: chain A residue 2237 CYS Chi-restraints excluded: chain A residue 2246 ASN Chi-restraints excluded: chain A residue 2254 LEU Chi-restraints excluded: chain A residue 2258 LEU Chi-restraints excluded: chain A residue 2260 ASN Chi-restraints excluded: chain A residue 2265 LEU Chi-restraints excluded: chain A residue 2275 VAL Chi-restraints excluded: chain A residue 2279 SER Chi-restraints excluded: chain A residue 2280 VAL Chi-restraints excluded: chain A residue 2292 GLU Chi-restraints excluded: chain A residue 2298 VAL Chi-restraints excluded: chain A residue 2330 ARG Chi-restraints excluded: chain A residue 2334 PHE Chi-restraints excluded: chain A residue 2341 VAL Chi-restraints excluded: chain A residue 2346 VAL Chi-restraints excluded: chain A residue 2348 GLU Chi-restraints excluded: chain A residue 2349 ASN Chi-restraints excluded: chain A residue 2353 VAL Chi-restraints excluded: chain A residue 2354 VAL Chi-restraints excluded: chain A residue 2356 LEU Chi-restraints excluded: chain A residue 2357 LEU Chi-restraints excluded: chain A residue 2368 LEU Chi-restraints excluded: chain A residue 2376 LEU Chi-restraints excluded: chain A residue 2377 LEU Chi-restraints excluded: chain A residue 2380 ILE Chi-restraints excluded: chain A residue 2418 LEU Chi-restraints excluded: chain A residue 2432 LEU Chi-restraints excluded: chain A residue 2433 LEU Chi-restraints excluded: chain A residue 2449 GLU Chi-restraints excluded: chain A residue 2451 LEU Chi-restraints excluded: chain A residue 2454 ARG Chi-restraints excluded: chain A residue 2457 LEU Chi-restraints excluded: chain A residue 2460 LEU Chi-restraints excluded: chain A residue 2463 LEU Chi-restraints excluded: chain A residue 2472 LEU Chi-restraints excluded: chain A residue 2756 ASN Chi-restraints excluded: chain A residue 2760 GLU Chi-restraints excluded: chain A residue 2762 THR Chi-restraints excluded: chain A residue 2773 ASN Chi-restraints excluded: chain A residue 2792 ARG Chi-restraints excluded: chain A residue 2809 ILE Chi-restraints excluded: chain A residue 2811 GLU Chi-restraints excluded: chain A residue 2821 TRP Chi-restraints excluded: chain A residue 2855 TYR Chi-restraints excluded: chain A residue 2856 ASN Chi-restraints excluded: chain A residue 2862 LEU Chi-restraints excluded: chain A residue 2867 LEU Chi-restraints excluded: chain A residue 2868 SER Chi-restraints excluded: chain A residue 2881 ASN Chi-restraints excluded: chain A residue 2888 ARG Chi-restraints excluded: chain A residue 2889 LYS Chi-restraints excluded: chain A residue 2902 HIS Chi-restraints excluded: chain A residue 2905 LEU Chi-restraints excluded: chain A residue 2906 VAL Chi-restraints excluded: chain A residue 2910 THR Chi-restraints excluded: chain A residue 2911 LEU Chi-restraints excluded: chain A residue 2929 PHE Chi-restraints excluded: chain A residue 2935 TYR Chi-restraints excluded: chain A residue 2938 THR Chi-restraints excluded: chain A residue 3646 THR Chi-restraints excluded: chain A residue 3651 ASN Chi-restraints excluded: chain A residue 3652 MET Chi-restraints excluded: chain A residue 3661 TRP Chi-restraints excluded: chain A residue 3665 GLU Chi-restraints excluded: chain A residue 3666 ASP Chi-restraints excluded: chain A residue 3669 PHE Chi-restraints excluded: chain A residue 3676 ASP Chi-restraints excluded: chain A residue 3679 LYS Chi-restraints excluded: chain A residue 3697 PRO Chi-restraints excluded: chain A residue 3698 LEU Chi-restraints excluded: chain A residue 3702 VAL Chi-restraints excluded: chain A residue 3708 THR Chi-restraints excluded: chain A residue 3711 THR Chi-restraints excluded: chain A residue 3714 SER Chi-restraints excluded: chain A residue 3718 GLU Chi-restraints excluded: chain A residue 3720 TYR Chi-restraints excluded: chain A residue 3725 TYR Chi-restraints excluded: chain A residue 3727 ASP Chi-restraints excluded: chain A residue 3732 SER Chi-restraints excluded: chain A residue 3753 PHE Chi-restraints excluded: chain A residue 3763 LEU Chi-restraints excluded: chain A residue 3766 GLN Chi-restraints excluded: chain A residue 3773 ARG Chi-restraints excluded: chain A residue 3786 CYS Chi-restraints excluded: chain A residue 3787 LYS Chi-restraints excluded: chain A residue 3790 THR Chi-restraints excluded: chain A residue 3796 SER Chi-restraints excluded: chain A residue 3797 THR Chi-restraints excluded: chain A residue 3798 LEU Chi-restraints excluded: chain A residue 3802 ILE Chi-restraints excluded: chain A residue 3811 GLU Chi-restraints excluded: chain A residue 3816 MET Chi-restraints excluded: chain A residue 3822 ASP Chi-restraints excluded: chain A residue 3828 PHE Chi-restraints excluded: chain A residue 3838 THR Chi-restraints excluded: chain A residue 3843 ASP Chi-restraints excluded: chain A residue 3844 LEU Chi-restraints excluded: chain A residue 3881 THR Chi-restraints excluded: chain A residue 3882 GLN Chi-restraints excluded: chain A residue 3883 ASP Chi-restraints excluded: chain A residue 3890 LEU Chi-restraints excluded: chain A residue 3891 LEU Chi-restraints excluded: chain A residue 3895 HIS Chi-restraints excluded: chain A residue 3900 GLN Chi-restraints excluded: chain A residue 3909 ASN Chi-restraints excluded: chain A residue 3913 ILE Chi-restraints excluded: chain A residue 3915 ILE Chi-restraints excluded: chain A residue 3916 ILE Chi-restraints excluded: chain A residue 3917 ILE Chi-restraints excluded: chain A residue 3920 VAL Chi-restraints excluded: chain A residue 3924 LEU Chi-restraints excluded: chain A residue 3927 GLN Chi-restraints excluded: chain A residue 3928 GLU Chi-restraints excluded: chain A residue 3929 SER Chi-restraints excluded: chain A residue 3931 SER Chi-restraints excluded: chain A residue 3932 ASP Chi-restraints excluded: chain A residue 3937 TYR Chi-restraints excluded: chain A residue 3944 GLU Chi-restraints excluded: chain A residue 3946 GLN Chi-restraints excluded: chain A residue 3953 LYS Chi-restraints excluded: chain A residue 3957 VAL Chi-restraints excluded: chain A residue 3959 LYS Chi-restraints excluded: chain A residue 3961 VAL Chi-restraints excluded: chain A residue 3964 SER Chi-restraints excluded: chain A residue 3974 THR Chi-restraints excluded: chain A residue 3979 SER Chi-restraints excluded: chain A residue 3982 HIS Chi-restraints excluded: chain A residue 3986 TRP Chi-restraints excluded: chain A residue 3987 ASP Chi-restraints excluded: chain A residue 3990 VAL Chi-restraints excluded: chain A residue 3993 LEU Chi-restraints excluded: chain A residue 3996 PHE Chi-restraints excluded: chain A residue 4020 GLN Chi-restraints excluded: chain A residue 4022 ASP Chi-restraints excluded: chain A residue 4023 MET Chi-restraints excluded: chain A residue 4025 VAL Chi-restraints excluded: chain A residue 4034 ASN Chi-restraints excluded: chain A residue 4035 VAL Chi-restraints excluded: chain A residue 4036 VAL Chi-restraints excluded: chain A residue 4045 VAL Chi-restraints excluded: chain A residue 4046 ASP Chi-restraints excluded: chain A residue 4049 VAL Chi-restraints excluded: chain A residue 4055 VAL Chi-restraints excluded: chain A residue 4059 LEU Chi-restraints excluded: chain A residue 4066 LEU Chi-restraints excluded: chain A residue 4070 ASP Chi-restraints excluded: chain A residue 4088 ILE Chi-restraints excluded: chain A residue 4090 LYS Chi-restraints excluded: chain A residue 4095 LYS Chi-restraints excluded: chain A residue 4102 GLN Chi-restraints excluded: chain A residue 4109 GLN Chi-restraints excluded: chain A residue 4121 GLU Chi-restraints excluded: chain A residue 4128 PHE Chi-restraints excluded: chain A residue 4133 GLN Chi-restraints excluded: chain A residue 4139 ILE Chi-restraints excluded: chain A residue 4142 ASN Chi-restraints excluded: chain A residue 4143 VAL Chi-restraints excluded: chain A residue 4150 LEU Chi-restraints excluded: chain A residue 4151 SER Chi-restraints excluded: chain A residue 4157 ASP Chi-restraints excluded: chain A residue 4159 ARG Chi-restraints excluded: chain A residue 4160 LEU Chi-restraints excluded: chain A residue 4162 ASN Chi-restraints excluded: chain A residue 4164 LEU Chi-restraints excluded: chain A residue 4166 LEU Chi-restraints excluded: chain A residue 4171 LEU Chi-restraints excluded: chain A residue 4178 LEU Chi-restraints excluded: chain A residue 4181 ILE Chi-restraints excluded: chain A residue 4190 ILE Chi-restraints excluded: chain A residue 4200 THR Chi-restraints excluded: chain A residue 4205 TRP Chi-restraints excluded: chain A residue 4212 GLU Chi-restraints excluded: chain A residue 4231 MET Chi-restraints excluded: chain A residue 4237 PHE Chi-restraints excluded: chain A residue 4238 CYS Chi-restraints excluded: chain A residue 4244 GLU Chi-restraints excluded: chain A residue 4250 GLN Chi-restraints excluded: chain A residue 4251 ILE Chi-restraints excluded: chain A residue 4252 SER Chi-restraints excluded: chain A residue 4546 VAL Chi-restraints excluded: chain A residue 4547 GLN Chi-restraints excluded: chain A residue 4549 VAL Chi-restraints excluded: chain A residue 4552 LEU Chi-restraints excluded: chain A residue 4558 ASN Chi-restraints excluded: chain A residue 4559 PHE Chi-restraints excluded: chain A residue 4565 LEU Chi-restraints excluded: chain A residue 4571 PHE Chi-restraints excluded: chain A residue 4573 ILE Chi-restraints excluded: chain A residue 4577 LEU Chi-restraints excluded: chain A residue 4630 TYR Chi-restraints excluded: chain A residue 4631 PHE Chi-restraints excluded: chain A residue 4632 LEU Chi-restraints excluded: chain A residue 4635 SER Chi-restraints excluded: chain A residue 4638 TYR Chi-restraints excluded: chain A residue 4640 GLU Chi-restraints excluded: chain A residue 4643 LEU Chi-restraints excluded: chain A residue 4646 LEU Chi-restraints excluded: chain A residue 4649 LEU Chi-restraints excluded: chain A residue 4651 THR Chi-restraints excluded: chain A residue 4652 LEU Chi-restraints excluded: chain A residue 4656 LEU Chi-restraints excluded: chain A residue 4657 CYS Chi-restraints excluded: chain A residue 4663 CYS Chi-restraints excluded: chain A residue 4666 VAL Chi-restraints excluded: chain A residue 4668 LEU Chi-restraints excluded: chain A residue 4671 PHE Chi-restraints excluded: chain A residue 4674 GLU Chi-restraints excluded: chain A residue 4676 GLU Chi-restraints excluded: chain A residue 4677 LEU Chi-restraints excluded: chain A residue 4684 ASP Chi-restraints excluded: chain A residue 4686 LEU Chi-restraints excluded: chain A residue 4688 ILE Chi-restraints excluded: chain A residue 4691 GLN Chi-restraints excluded: chain A residue 4701 TRP Chi-restraints excluded: chain A residue 4714 ASN Chi-restraints excluded: chain A residue 4723 LYS Chi-restraints excluded: chain A residue 4727 LYS Chi-restraints excluded: chain A residue 4731 ILE Chi-restraints excluded: chain A residue 4739 GLU Chi-restraints excluded: chain A residue 4747 SER Chi-restraints excluded: chain A residue 4770 SER Chi-restraints excluded: chain A residue 4771 ILE Chi-restraints excluded: chain A residue 4774 LYS Chi-restraints excluded: chain A residue 4777 ILE Chi-restraints excluded: chain A residue 4780 PHE Chi-restraints excluded: chain A residue 4783 ILE Chi-restraints excluded: chain A residue 4786 ASP Chi-restraints excluded: chain A residue 4794 TRP Chi-restraints excluded: chain A residue 4797 VAL Chi-restraints excluded: chain A residue 4798 MET Chi-restraints excluded: chain A residue 4807 PHE Chi-restraints excluded: chain A residue 4818 MET Chi-restraints excluded: chain A residue 4822 THR Chi-restraints excluded: chain A residue 4827 LEU Chi-restraints excluded: chain A residue 4830 VAL Chi-restraints excluded: chain A residue 4836 GLN Chi-restraints excluded: chain A residue 4838 VAL Chi-restraints excluded: chain A residue 4849 TYR Chi-restraints excluded: chain A residue 4854 VAL Chi-restraints excluded: chain A residue 4864 ASN Chi-restraints excluded: chain A residue 4867 GLU Chi-restraints excluded: chain A residue 4877 ASP Chi-restraints excluded: chain A residue 4901 ILE Chi-restraints excluded: chain A residue 4904 PRO Chi-restraints excluded: chain A residue 4913 ARG Chi-restraints excluded: chain A residue 4915 VAL Chi-restraints excluded: chain A residue 4918 ILE Chi-restraints excluded: chain A residue 4919 THR Chi-restraints excluded: chain A residue 4920 PHE Chi-restraints excluded: chain A residue 4921 PHE Chi-restraints excluded: chain A residue 4922 PHE Chi-restraints excluded: chain A residue 4936 ILE Chi-restraints excluded: chain A residue 4943 LEU Chi-restraints excluded: chain A residue 4945 ASP Chi-restraints excluded: chain A residue 4950 VAL Chi-restraints excluded: chain A residue 4959 PHE Chi-restraints excluded: chain A residue 4983 HIS Chi-restraints excluded: chain A residue 4984 ASN Chi-restraints excluded: chain A residue 4985 LEU Chi-restraints excluded: chain A residue 4990 PHE Chi-restraints excluded: chain A residue 4994 TYR Chi-restraints excluded: chain A residue 4999 ASP Chi-restraints excluded: chain A residue 5010 VAL Chi-restraints excluded: chain A residue 5013 MET Chi-restraints excluded: chain A residue 5016 GLU Chi-restraints excluded: chain A residue 5020 ASP Chi-restraints excluded: chain A residue 5027 CYS Chi-restraints excluded: chain B residue 12 GLN Chi-restraints excluded: chain B residue 14 LEU Chi-restraints excluded: chain B residue 15 ARG Chi-restraints excluded: chain B residue 16 THR Chi-restraints excluded: chain B residue 17 ASP Chi-restraints excluded: chain B residue 18 ASP Chi-restraints excluded: chain B residue 19 GLU Chi-restraints excluded: chain B residue 29 LEU Chi-restraints excluded: chain B residue 32 GLN Chi-restraints excluded: chain B residue 35 LEU Chi-restraints excluded: chain B residue 40 GLU Chi-restraints excluded: chain B residue 44 ASN Chi-restraints excluded: chain B residue 49 LEU Chi-restraints excluded: chain B residue 66 CYS Chi-restraints excluded: chain B residue 69 LEU Chi-restraints excluded: chain B residue 70 GLU Chi-restraints excluded: chain B residue 71 GLN Chi-restraints excluded: chain B residue 73 LEU Chi-restraints excluded: chain B residue 74 SER Chi-restraints excluded: chain B residue 75 VAL Chi-restraints excluded: chain B residue 76 ARG Chi-restraints excluded: chain B residue 78 LEU Chi-restraints excluded: chain B residue 81 MET Chi-restraints excluded: chain B residue 100 THR Chi-restraints excluded: chain B residue 111 HIS Chi-restraints excluded: chain B residue 113 HIS Chi-restraints excluded: chain B residue 121 LEU Chi-restraints excluded: chain B residue 123 THR Chi-restraints excluded: chain B residue 124 SER Chi-restraints excluded: chain B residue 133 PHE Chi-restraints excluded: chain B residue 134 ASP Chi-restraints excluded: chain B residue 135 VAL Chi-restraints excluded: chain B residue 142 THR Chi-restraints excluded: chain B residue 144 GLU Chi-restraints excluded: chain B residue 149 THR Chi-restraints excluded: chain B residue 152 PRO Chi-restraints excluded: chain B residue 156 GLN Chi-restraints excluded: chain B residue 163 VAL Chi-restraints excluded: chain B residue 165 VAL Chi-restraints excluded: chain B residue 167 ASP Chi-restraints excluded: chain B residue 169 LEU Chi-restraints excluded: chain B residue 173 SER Chi-restraints excluded: chain B residue 179 TYR Chi-restraints excluded: chain B residue 181 HIS Chi-restraints excluded: chain B residue 183 SER Chi-restraints excluded: chain B residue 189 LEU Chi-restraints excluded: chain B residue 191 VAL Chi-restraints excluded: chain B residue 194 SER Chi-restraints excluded: chain B residue 205 ILE Chi-restraints excluded: chain B residue 208 CYS Chi-restraints excluded: chain B residue 210 GLU Chi-restraints excluded: chain B residue 211 GLU Chi-restraints excluded: chain B residue 222 LEU Chi-restraints excluded: chain B residue 238 SER Chi-restraints excluded: chain B residue 240 ASP Chi-restraints excluded: chain B residue 244 LEU Chi-restraints excluded: chain B residue 246 TYR Chi-restraints excluded: chain B residue 247 TYR Chi-restraints excluded: chain B residue 257 ARG Chi-restraints excluded: chain B residue 262 LEU Chi-restraints excluded: chain B residue 270 SER Chi-restraints excluded: chain B residue 282 ILE Chi-restraints excluded: chain B residue 286 THR Chi-restraints excluded: chain B residue 293 LEU Chi-restraints excluded: chain B residue 294 THR Chi-restraints excluded: chain B residue 299 LEU Chi-restraints excluded: chain B residue 301 VAL Chi-restraints excluded: chain B residue 313 SER Chi-restraints excluded: chain B residue 315 CYS Chi-restraints excluded: chain B residue 343 GLU Chi-restraints excluded: chain B residue 357 LEU Chi-restraints excluded: chain B residue 358 THR Chi-restraints excluded: chain B residue 359 TYR Chi-restraints excluded: chain B residue 372 LEU Chi-restraints excluded: chain B residue 373 LYS Chi-restraints excluded: chain B residue 381 GLU Chi-restraints excluded: chain B residue 390 LEU Chi-restraints excluded: chain B residue 391 THR Chi-restraints excluded: chain B residue 396 GLU Chi-restraints excluded: chain B residue 397 GLU Chi-restraints excluded: chain B residue 398 SER Chi-restraints excluded: chain B residue 403 MET Chi-restraints excluded: chain B residue 404 ILE Chi-restraints excluded: chain B residue 410 LEU Chi-restraints excluded: chain B residue 415 ILE Chi-restraints excluded: chain B residue 439 GLU Chi-restraints excluded: chain B residue 442 ILE Chi-restraints excluded: chain B residue 447 ASP Chi-restraints excluded: chain B residue 452 PHE Chi-restraints excluded: chain B residue 459 LEU Chi-restraints excluded: chain B residue 460 GLN Chi-restraints excluded: chain B residue 462 GLU Chi-restraints excluded: chain B residue 463 GLU Chi-restraints excluded: chain B residue 469 ARG Chi-restraints excluded: chain B residue 475 GLN Chi-restraints excluded: chain B residue 483 MET Chi-restraints excluded: chain B residue 485 SER Chi-restraints excluded: chain B residue 486 LEU Chi-restraints excluded: chain B residue 487 VAL Chi-restraints excluded: chain B residue 488 LEU Chi-restraints excluded: chain B residue 491 ILE Chi-restraints excluded: chain B residue 497 TYR Chi-restraints excluded: chain B residue 506 TYR Chi-restraints excluded: chain B residue 510 GLU Chi-restraints excluded: chain B residue 513 GLU Chi-restraints excluded: chain B residue 514 SER Chi-restraints excluded: chain B residue 517 GLU Chi-restraints excluded: chain B residue 519 VAL Chi-restraints excluded: chain B residue 521 LEU Chi-restraints excluded: chain B residue 522 LEU Chi-restraints excluded: chain B residue 526 LEU Chi-restraints excluded: chain B residue 533 ASN Chi-restraints excluded: chain B residue 536 ASN Chi-restraints excluded: chain B residue 539 LEU Chi-restraints excluded: chain B residue 540 PHE Chi-restraints excluded: chain B residue 541 SER Chi-restraints excluded: chain B residue 547 VAL Chi-restraints excluded: chain B residue 561 LEU Chi-restraints excluded: chain B residue 563 VAL Chi-restraints excluded: chain B residue 564 LEU Chi-restraints excluded: chain B residue 569 ILE Chi-restraints excluded: chain B residue 575 LEU Chi-restraints excluded: chain B residue 579 GLN Chi-restraints excluded: chain B residue 580 GLU Chi-restraints excluded: chain B residue 581 ASN Chi-restraints excluded: chain B residue 586 ILE Chi-restraints excluded: chain B residue 590 LEU Chi-restraints excluded: chain B residue 591 ASP Chi-restraints excluded: chain B residue 599 VAL Chi-restraints excluded: chain B residue 602 VAL Chi-restraints excluded: chain B residue 605 SER Chi-restraints excluded: chain B residue 609 CYS Chi-restraints excluded: chain B residue 614 VAL Chi-restraints excluded: chain B residue 621 ILE Chi-restraints excluded: chain B residue 631 LEU Chi-restraints excluded: chain B residue 635 THR Chi-restraints excluded: chain B residue 638 ILE Chi-restraints excluded: chain B residue 642 THR Chi-restraints excluded: chain B residue 661 LYS Chi-restraints excluded: chain B residue 663 TYR Chi-restraints excluded: chain B residue 665 GLU Chi-restraints excluded: chain B residue 667 MET Chi-restraints excluded: chain B residue 669 ASP Chi-restraints excluded: chain B residue 676 THR Chi-restraints excluded: chain B residue 680 THR Chi-restraints excluded: chain B residue 682 LEU Chi-restraints excluded: chain B residue 684 VAL Chi-restraints excluded: chain B residue 695 TYR Chi-restraints excluded: chain B residue 702 TRP Chi-restraints excluded: chain B residue 709 ASP Chi-restraints excluded: chain B residue 710 ASP Chi-restraints excluded: chain B residue 712 TYR Chi-restraints excluded: chain B residue 714 TYR Chi-restraints excluded: chain B residue 719 LEU Chi-restraints excluded: chain B residue 735 GLN Chi-restraints excluded: chain B residue 737 LEU Chi-restraints excluded: chain B residue 751 SER Chi-restraints excluded: chain B residue 752 VAL Chi-restraints excluded: chain B residue 754 SER Chi-restraints excluded: chain B residue 756 SER Chi-restraints excluded: chain B residue 757 PHE Chi-restraints excluded: chain B residue 760 ASN Chi-restraints excluded: chain B residue 771 PHE Chi-restraints excluded: chain B residue 783 PHE Chi-restraints excluded: chain B residue 784 SER Chi-restraints excluded: chain B residue 815 VAL Chi-restraints excluded: chain B residue 822 ARG Chi-restraints excluded: chain B residue 829 TYR Chi-restraints excluded: chain B residue 839 LEU Chi-restraints excluded: chain B residue 867 LEU Chi-restraints excluded: chain B residue 869 ARG Chi-restraints excluded: chain B residue 886 ARG Chi-restraints excluded: chain B residue 896 VAL Chi-restraints excluded: chain B residue 900 ASN Chi-restraints excluded: chain B residue 908 VAL Chi-restraints excluded: chain B residue 910 PHE Chi-restraints excluded: chain B residue 923 GLN Chi-restraints excluded: chain B residue 928 THR Chi-restraints excluded: chain B residue 948 ASP Chi-restraints excluded: chain B residue 960 MET Chi-restraints excluded: chain B residue 961 MET Chi-restraints excluded: chain B residue 965 TYR Chi-restraints excluded: chain B residue 971 ASP Chi-restraints excluded: chain B residue 972 LEU Chi-restraints excluded: chain B residue 974 HIS Chi-restraints excluded: chain B residue 978 THR Chi-restraints excluded: chain B residue 1036 ARG Chi-restraints excluded: chain B residue 1037 ASP Chi-restraints excluded: chain B residue 1039 LEU Chi-restraints excluded: chain B residue 1045 THR Chi-restraints excluded: chain B residue 1054 GLU Chi-restraints excluded: chain B residue 1072 VAL Chi-restraints excluded: chain B residue 1076 ARG Chi-restraints excluded: chain B residue 1078 GLU Chi-restraints excluded: chain B residue 1081 TYR Chi-restraints excluded: chain B residue 1087 ARG Chi-restraints excluded: chain B residue 1093 GLU Chi-restraints excluded: chain B residue 1101 ARG Chi-restraints excluded: chain B residue 1108 GLU Chi-restraints excluded: chain B residue 1120 LEU Chi-restraints excluded: chain B residue 1127 HIS Chi-restraints excluded: chain B residue 1132 TRP Chi-restraints excluded: chain B residue 1133 HIS Chi-restraints excluded: chain B residue 1134 LEU Chi-restraints excluded: chain B residue 1139 PHE Chi-restraints excluded: chain B residue 1143 TRP Chi-restraints excluded: chain B residue 1158 ASN Chi-restraints excluded: chain B residue 1163 THR Chi-restraints excluded: chain B residue 1169 LEU Chi-restraints excluded: chain B residue 1172 ASP Chi-restraints excluded: chain B residue 1184 ILE Chi-restraints excluded: chain B residue 1191 VAL Chi-restraints excluded: chain B residue 1201 HIS Chi-restraints excluded: chain B residue 1203 ASN Chi-restraints excluded: chain B residue 1209 SER Chi-restraints excluded: chain B residue 1216 ILE Chi-restraints excluded: chain B residue 1219 LEU Chi-restraints excluded: chain B residue 1226 PHE Chi-restraints excluded: chain B residue 1235 THR Chi-restraints excluded: chain B residue 1240 LYS Chi-restraints excluded: chain B residue 1242 LEU Chi-restraints excluded: chain B residue 1245 PHE Chi-restraints excluded: chain B residue 1248 VAL Chi-restraints excluded: chain B residue 1251 GLU Chi-restraints excluded: chain B residue 1254 HIS Chi-restraints excluded: chain B residue 1266 THR Chi-restraints excluded: chain B residue 1272 LEU Chi-restraints excluded: chain B residue 1575 LEU Chi-restraints excluded: chain B residue 1595 LEU Chi-restraints excluded: chain B residue 1597 VAL Chi-restraints excluded: chain B residue 1600 LEU Chi-restraints excluded: chain B residue 1601 MET Chi-restraints excluded: chain B residue 1605 TRP Chi-restraints excluded: chain B residue 1613 LEU Chi-restraints excluded: chain B residue 1636 MET Chi-restraints excluded: chain B residue 1641 ILE Chi-restraints excluded: chain B residue 1648 MET Chi-restraints excluded: chain B residue 1649 ASP Chi-restraints excluded: chain B residue 1652 GLU Chi-restraints excluded: chain B residue 1654 SER Chi-restraints excluded: chain B residue 1657 LEU Chi-restraints excluded: chain B residue 1658 ASP Chi-restraints excluded: chain B residue 1661 ARG Chi-restraints excluded: chain B residue 1666 THR Chi-restraints excluded: chain B residue 1673 VAL Chi-restraints excluded: chain B residue 1679 ASN Chi-restraints excluded: chain B residue 1680 ARG Chi-restraints excluded: chain B residue 1694 LEU Chi-restraints excluded: chain B residue 1695 LEU Chi-restraints excluded: chain B residue 1699 GLU Chi-restraints excluded: chain B residue 1700 ASP Chi-restraints excluded: chain B residue 1703 LEU Chi-restraints excluded: chain B residue 1707 LEU Chi-restraints excluded: chain B residue 1713 ASP Chi-restraints excluded: chain B residue 1720 LEU Chi-restraints excluded: chain B residue 1721 GLU Chi-restraints excluded: chain B residue 1731 LEU Chi-restraints excluded: chain B residue 1738 LEU Chi-restraints excluded: chain B residue 1739 THR Chi-restraints excluded: chain B residue 1743 ARG Chi-restraints excluded: chain B residue 1768 THR Chi-restraints excluded: chain B residue 1770 SER Chi-restraints excluded: chain B residue 1772 ARG Chi-restraints excluded: chain B residue 1778 SER Chi-restraints excluded: chain B residue 1797 ARG Chi-restraints excluded: chain B residue 1798 LEU Chi-restraints excluded: chain B residue 1819 VAL Chi-restraints excluded: chain B residue 1839 VAL Chi-restraints excluded: chain B residue 1842 LEU Chi-restraints excluded: chain B residue 1848 LEU Chi-restraints excluded: chain B residue 1850 VAL Chi-restraints excluded: chain B residue 1853 ILE Chi-restraints excluded: chain B residue 1856 ASP Chi-restraints excluded: chain B residue 1857 GLU Chi-restraints excluded: chain B residue 1861 GLN Chi-restraints excluded: chain B residue 1870 VAL Chi-restraints excluded: chain B residue 1928 GLN Chi-restraints excluded: chain B residue 1935 VAL Chi-restraints excluded: chain B residue 1939 MET Chi-restraints excluded: chain B residue 1942 LEU Chi-restraints excluded: chain B residue 1943 LEU Chi-restraints excluded: chain B residue 1944 GLU Chi-restraints excluded: chain B residue 1947 CYS Chi-restraints excluded: chain B residue 1951 LEU Chi-restraints excluded: chain B residue 1958 LEU Chi-restraints excluded: chain B residue 1963 GLU Chi-restraints excluded: chain B residue 1966 VAL Chi-restraints excluded: chain B residue 1968 LYS Chi-restraints excluded: chain B residue 1976 ARG Chi-restraints excluded: chain B residue 1996 ARG Chi-restraints excluded: chain B residue 1997 GLU Chi-restraints excluded: chain B residue 2028 ARG Chi-restraints excluded: chain B residue 2030 ASP Chi-restraints excluded: chain B residue 2031 LEU Chi-restraints excluded: chain B residue 2034 PHE Chi-restraints excluded: chain B residue 2035 HIS Chi-restraints excluded: chain B residue 2095 GLN Chi-restraints excluded: chain B residue 2098 VAL Chi-restraints excluded: chain B residue 2101 MET Chi-restraints excluded: chain B residue 2103 VAL Chi-restraints excluded: chain B residue 2104 ARG Chi-restraints excluded: chain B residue 2115 GLU Chi-restraints excluded: chain B residue 2117 VAL Chi-restraints excluded: chain B residue 2118 ARG Chi-restraints excluded: chain B residue 2120 MET Chi-restraints excluded: chain B residue 2122 SER Chi-restraints excluded: chain B residue 2125 HIS Chi-restraints excluded: chain B residue 2128 TYR Chi-restraints excluded: chain B residue 2138 LEU Chi-restraints excluded: chain B residue 2143 THR Chi-restraints excluded: chain B residue 2148 SER Chi-restraints excluded: chain B residue 2150 GLU Chi-restraints excluded: chain B residue 2155 LEU Chi-restraints excluded: chain B residue 2164 SER Chi-restraints excluded: chain B residue 2166 LEU Chi-restraints excluded: chain B residue 2169 GLN Chi-restraints excluded: chain B residue 2184 ASN Chi-restraints excluded: chain B residue 2185 ILE Chi-restraints excluded: chain B residue 2186 MET Chi-restraints excluded: chain B residue 2187 ASN Chi-restraints excluded: chain B residue 2188 ASN Chi-restraints excluded: chain B residue 2189 LYS Chi-restraints excluded: chain B residue 2198 MET Chi-restraints excluded: chain B residue 2203 MET Chi-restraints excluded: chain B residue 2204 HIS Chi-restraints excluded: chain B residue 2207 VAL Chi-restraints excluded: chain B residue 2225 PHE Chi-restraints excluded: chain B residue 2228 MET Chi-restraints excluded: chain B residue 2229 VAL Chi-restraints excluded: chain B residue 2231 SER Chi-restraints excluded: chain B residue 2232 CYS Chi-restraints excluded: chain B residue 2237 CYS Chi-restraints excluded: chain B residue 2246 ASN Chi-restraints excluded: chain B residue 2248 ARG Chi-restraints excluded: chain B residue 2254 LEU Chi-restraints excluded: chain B residue 2258 LEU Chi-restraints excluded: chain B residue 2260 ASN Chi-restraints excluded: chain B residue 2265 LEU Chi-restraints excluded: chain B residue 2275 VAL Chi-restraints excluded: chain B residue 2279 SER Chi-restraints excluded: chain B residue 2280 VAL Chi-restraints excluded: chain B residue 2292 GLU Chi-restraints excluded: chain B residue 2298 VAL Chi-restraints excluded: chain B residue 2330 ARG Chi-restraints excluded: chain B residue 2334 PHE Chi-restraints excluded: chain B residue 2346 VAL Chi-restraints excluded: chain B residue 2348 GLU Chi-restraints excluded: chain B residue 2349 ASN Chi-restraints excluded: chain B residue 2353 VAL Chi-restraints excluded: chain B residue 2354 VAL Chi-restraints excluded: chain B residue 2356 LEU Chi-restraints excluded: chain B residue 2357 LEU Chi-restraints excluded: chain B residue 2358 ILE Chi-restraints excluded: chain B residue 2368 LEU Chi-restraints excluded: chain B residue 2376 LEU Chi-restraints excluded: chain B residue 2377 LEU Chi-restraints excluded: chain B residue 2380 ILE Chi-restraints excluded: chain B residue 2418 LEU Chi-restraints excluded: chain B residue 2432 LEU Chi-restraints excluded: chain B residue 2433 LEU Chi-restraints excluded: chain B residue 2440 MET Chi-restraints excluded: chain B residue 2449 GLU Chi-restraints excluded: chain B residue 2451 LEU Chi-restraints excluded: chain B residue 2454 ARG Chi-restraints excluded: chain B residue 2457 LEU Chi-restraints excluded: chain B residue 2460 LEU Chi-restraints excluded: chain B residue 2463 LEU Chi-restraints excluded: chain B residue 2472 LEU Chi-restraints excluded: chain B residue 2756 ASN Chi-restraints excluded: chain B residue 2760 GLU Chi-restraints excluded: chain B residue 2762 THR Chi-restraints excluded: chain B residue 2773 ASN Chi-restraints excluded: chain B residue 2792 ARG Chi-restraints excluded: chain B residue 2809 ILE Chi-restraints excluded: chain B residue 2821 TRP Chi-restraints excluded: chain B residue 2855 TYR Chi-restraints excluded: chain B residue 2856 ASN Chi-restraints excluded: chain B residue 2862 LEU Chi-restraints excluded: chain B residue 2867 LEU Chi-restraints excluded: chain B residue 2868 SER Chi-restraints excluded: chain B residue 2881 ASN Chi-restraints excluded: chain B residue 2888 ARG Chi-restraints excluded: chain B residue 2889 LYS Chi-restraints excluded: chain B residue 2902 HIS Chi-restraints excluded: chain B residue 2905 LEU Chi-restraints excluded: chain B residue 2906 VAL Chi-restraints excluded: chain B residue 2910 THR Chi-restraints excluded: chain B residue 2911 LEU Chi-restraints excluded: chain B residue 2929 PHE Chi-restraints excluded: chain B residue 2935 TYR Chi-restraints excluded: chain B residue 2938 THR Chi-restraints excluded: chain B residue 3639 THR Chi-restraints excluded: chain B residue 3646 THR Chi-restraints excluded: chain B residue 3651 ASN Chi-restraints excluded: chain B residue 3652 MET Chi-restraints excluded: chain B residue 3661 TRP Chi-restraints excluded: chain B residue 3665 GLU Chi-restraints excluded: chain B residue 3666 ASP Chi-restraints excluded: chain B residue 3669 PHE Chi-restraints excluded: chain B residue 3676 ASP Chi-restraints excluded: chain B residue 3679 LYS Chi-restraints excluded: chain B residue 3697 PRO Chi-restraints excluded: chain B residue 3698 LEU Chi-restraints excluded: chain B residue 3702 VAL Chi-restraints excluded: chain B residue 3708 THR Chi-restraints excluded: chain B residue 3711 THR Chi-restraints excluded: chain B residue 3714 SER Chi-restraints excluded: chain B residue 3718 GLU Chi-restraints excluded: chain B residue 3720 TYR Chi-restraints excluded: chain B residue 3725 TYR Chi-restraints excluded: chain B residue 3727 ASP Chi-restraints excluded: chain B residue 3732 SER Chi-restraints excluded: chain B residue 3753 PHE Chi-restraints excluded: chain B residue 3763 LEU Chi-restraints excluded: chain B residue 3766 GLN Chi-restraints excluded: chain B residue 3773 ARG Chi-restraints excluded: chain B residue 3786 CYS Chi-restraints excluded: chain B residue 3787 LYS Chi-restraints excluded: chain B residue 3790 THR Chi-restraints excluded: chain B residue 3796 SER Chi-restraints excluded: chain B residue 3797 THR Chi-restraints excluded: chain B residue 3798 LEU Chi-restraints excluded: chain B residue 3802 ILE Chi-restraints excluded: chain B residue 3811 GLU Chi-restraints excluded: chain B residue 3812 VAL Chi-restraints excluded: chain B residue 3816 MET Chi-restraints excluded: chain B residue 3822 ASP Chi-restraints excluded: chain B residue 3828 PHE Chi-restraints excluded: chain B residue 3838 THR Chi-restraints excluded: chain B residue 3841 VAL Chi-restraints excluded: chain B residue 3843 ASP Chi-restraints excluded: chain B residue 3844 LEU Chi-restraints excluded: chain B residue 3881 THR Chi-restraints excluded: chain B residue 3882 GLN Chi-restraints excluded: chain B residue 3883 ASP Chi-restraints excluded: chain B residue 3890 LEU Chi-restraints excluded: chain B residue 3891 LEU Chi-restraints excluded: chain B residue 3895 HIS Chi-restraints excluded: chain B residue 3900 GLN Chi-restraints excluded: chain B residue 3909 ASN Chi-restraints excluded: chain B residue 3913 ILE Chi-restraints excluded: chain B residue 3915 ILE Chi-restraints excluded: chain B residue 3916 ILE Chi-restraints excluded: chain B residue 3917 ILE Chi-restraints excluded: chain B residue 3920 VAL Chi-restraints excluded: chain B residue 3924 LEU Chi-restraints excluded: chain B residue 3927 GLN Chi-restraints excluded: chain B residue 3929 SER Chi-restraints excluded: chain B residue 3931 SER Chi-restraints excluded: chain B residue 3932 ASP Chi-restraints excluded: chain B residue 3937 TYR Chi-restraints excluded: chain B residue 3944 GLU Chi-restraints excluded: chain B residue 3946 GLN Chi-restraints excluded: chain B residue 3953 LYS Chi-restraints excluded: chain B residue 3957 VAL Chi-restraints excluded: chain B residue 3959 LYS Chi-restraints excluded: chain B residue 3961 VAL Chi-restraints excluded: chain B residue 3964 SER Chi-restraints excluded: chain B residue 3970 GLN Chi-restraints excluded: chain B residue 3974 THR Chi-restraints excluded: chain B residue 3979 SER Chi-restraints excluded: chain B residue 3982 HIS Chi-restraints excluded: chain B residue 3986 TRP Chi-restraints excluded: chain B residue 3987 ASP Chi-restraints excluded: chain B residue 3990 VAL Chi-restraints excluded: chain B residue 3993 LEU Chi-restraints excluded: chain B residue 3996 PHE Chi-restraints excluded: chain B residue 4020 GLN Chi-restraints excluded: chain B residue 4022 ASP Chi-restraints excluded: chain B residue 4023 MET Chi-restraints excluded: chain B residue 4025 VAL Chi-restraints excluded: chain B residue 4034 ASN Chi-restraints excluded: chain B residue 4035 VAL Chi-restraints excluded: chain B residue 4036 VAL Chi-restraints excluded: chain B residue 4045 VAL Chi-restraints excluded: chain B residue 4046 ASP Chi-restraints excluded: chain B residue 4049 VAL Chi-restraints excluded: chain B residue 4055 VAL Chi-restraints excluded: chain B residue 4059 LEU Chi-restraints excluded: chain B residue 4066 LEU Chi-restraints excluded: chain B residue 4070 ASP Chi-restraints excluded: chain B residue 4088 ILE Chi-restraints excluded: chain B residue 4090 LYS Chi-restraints excluded: chain B residue 4095 LYS Chi-restraints excluded: chain B residue 4102 GLN Chi-restraints excluded: chain B residue 4109 GLN Chi-restraints excluded: chain B residue 4121 GLU Chi-restraints excluded: chain B residue 4128 PHE Chi-restraints excluded: chain B residue 4133 GLN Chi-restraints excluded: chain B residue 4139 ILE Chi-restraints excluded: chain B residue 4142 ASN Chi-restraints excluded: chain B residue 4143 VAL Chi-restraints excluded: chain B residue 4150 LEU Chi-restraints excluded: chain B residue 4151 SER Chi-restraints excluded: chain B residue 4157 ASP Chi-restraints excluded: chain B residue 4159 ARG Chi-restraints excluded: chain B residue 4160 LEU Chi-restraints excluded: chain B residue 4162 ASN Chi-restraints excluded: chain B residue 4164 LEU Chi-restraints excluded: chain B residue 4166 LEU Chi-restraints excluded: chain B residue 4171 LEU Chi-restraints excluded: chain B residue 4178 LEU Chi-restraints excluded: chain B residue 4181 ILE Chi-restraints excluded: chain B residue 4190 ILE Chi-restraints excluded: chain B residue 4192 ARG Chi-restraints excluded: chain B residue 4195 PHE Chi-restraints excluded: chain B residue 4200 THR Chi-restraints excluded: chain B residue 4205 TRP Chi-restraints excluded: chain B residue 4212 GLU Chi-restraints excluded: chain B residue 4231 MET Chi-restraints excluded: chain B residue 4237 PHE Chi-restraints excluded: chain B residue 4238 CYS Chi-restraints excluded: chain B residue 4244 GLU Chi-restraints excluded: chain B residue 4250 GLN Chi-restraints excluded: chain B residue 4251 ILE Chi-restraints excluded: chain B residue 4252 SER Chi-restraints excluded: chain B residue 4546 VAL Chi-restraints excluded: chain B residue 4547 GLN Chi-restraints excluded: chain B residue 4549 VAL Chi-restraints excluded: chain B residue 4552 LEU Chi-restraints excluded: chain B residue 4558 ASN Chi-restraints excluded: chain B residue 4559 PHE Chi-restraints excluded: chain B residue 4565 LEU Chi-restraints excluded: chain B residue 4571 PHE Chi-restraints excluded: chain B residue 4573 ILE Chi-restraints excluded: chain B residue 4577 LEU Chi-restraints excluded: chain B residue 4630 TYR Chi-restraints excluded: chain B residue 4631 PHE Chi-restraints excluded: chain B residue 4632 LEU Chi-restraints excluded: chain B residue 4635 SER Chi-restraints excluded: chain B residue 4638 TYR Chi-restraints excluded: chain B residue 4640 GLU Chi-restraints excluded: chain B residue 4643 LEU Chi-restraints excluded: chain B residue 4646 LEU Chi-restraints excluded: chain B residue 4649 LEU Chi-restraints excluded: chain B residue 4651 THR Chi-restraints excluded: chain B residue 4652 LEU Chi-restraints excluded: chain B residue 4656 LEU Chi-restraints excluded: chain B residue 4657 CYS Chi-restraints excluded: chain B residue 4663 CYS Chi-restraints excluded: chain B residue 4666 VAL Chi-restraints excluded: chain B residue 4668 LEU Chi-restraints excluded: chain B residue 4671 PHE Chi-restraints excluded: chain B residue 4674 GLU Chi-restraints excluded: chain B residue 4676 GLU Chi-restraints excluded: chain B residue 4677 LEU Chi-restraints excluded: chain B residue 4684 ASP Chi-restraints excluded: chain B residue 4686 LEU Chi-restraints excluded: chain B residue 4688 ILE Chi-restraints excluded: chain B residue 4691 GLN Chi-restraints excluded: chain B residue 4701 TRP Chi-restraints excluded: chain B residue 4723 LYS Chi-restraints excluded: chain B residue 4731 ILE Chi-restraints excluded: chain B residue 4739 GLU Chi-restraints excluded: chain B residue 4747 SER Chi-restraints excluded: chain B residue 4770 SER Chi-restraints excluded: chain B residue 4771 ILE Chi-restraints excluded: chain B residue 4774 LYS Chi-restraints excluded: chain B residue 4777 ILE Chi-restraints excluded: chain B residue 4780 PHE Chi-restraints excluded: chain B residue 4783 ILE Chi-restraints excluded: chain B residue 4786 ASP Chi-restraints excluded: chain B residue 4794 TRP Chi-restraints excluded: chain B residue 4797 VAL Chi-restraints excluded: chain B residue 4798 MET Chi-restraints excluded: chain B residue 4807 PHE Chi-restraints excluded: chain B residue 4818 MET Chi-restraints excluded: chain B residue 4822 THR Chi-restraints excluded: chain B residue 4827 LEU Chi-restraints excluded: chain B residue 4830 VAL Chi-restraints excluded: chain B residue 4836 GLN Chi-restraints excluded: chain B residue 4838 VAL Chi-restraints excluded: chain B residue 4844 LEU Chi-restraints excluded: chain B residue 4849 TYR Chi-restraints excluded: chain B residue 4852 THR Chi-restraints excluded: chain B residue 4854 VAL Chi-restraints excluded: chain B residue 4864 ASN Chi-restraints excluded: chain B residue 4867 GLU Chi-restraints excluded: chain B residue 4877 ASP Chi-restraints excluded: chain B residue 4901 ILE Chi-restraints excluded: chain B residue 4904 PRO Chi-restraints excluded: chain B residue 4913 ARG Chi-restraints excluded: chain B residue 4915 VAL Chi-restraints excluded: chain B residue 4918 ILE Chi-restraints excluded: chain B residue 4919 THR Chi-restraints excluded: chain B residue 4920 PHE Chi-restraints excluded: chain B residue 4921 PHE Chi-restraints excluded: chain B residue 4931 ILE Chi-restraints excluded: chain B residue 4945 ASP Chi-restraints excluded: chain B residue 4950 VAL Chi-restraints excluded: chain B residue 4954 MET Chi-restraints excluded: chain B residue 4960 ILE Chi-restraints excluded: chain B residue 4961 CYS Chi-restraints excluded: chain B residue 4976 GLU Chi-restraints excluded: chain B residue 4983 HIS Chi-restraints excluded: chain B residue 4985 LEU Chi-restraints excluded: chain B residue 4990 PHE Chi-restraints excluded: chain B residue 4994 TYR Chi-restraints excluded: chain B residue 4995 LEU Chi-restraints excluded: chain B residue 4996 ILE Chi-restraints excluded: chain B residue 5008 SER Chi-restraints excluded: chain B residue 5010 VAL Chi-restraints excluded: chain B residue 5013 MET Chi-restraints excluded: chain B residue 5016 GLU Chi-restraints excluded: chain B residue 5020 ASP Chi-restraints excluded: chain B residue 5027 CYS Chi-restraints excluded: chain C residue 12 GLN Chi-restraints excluded: chain C residue 14 LEU Chi-restraints excluded: chain C residue 15 ARG Chi-restraints excluded: chain C residue 16 THR Chi-restraints excluded: chain C residue 17 ASP Chi-restraints excluded: chain C residue 18 ASP Chi-restraints excluded: chain C residue 19 GLU Chi-restraints excluded: chain C residue 29 LEU Chi-restraints excluded: chain C residue 32 GLN Chi-restraints excluded: chain C residue 35 LEU Chi-restraints excluded: chain C residue 40 GLU Chi-restraints excluded: chain C residue 44 ASN Chi-restraints excluded: chain C residue 49 LEU Chi-restraints excluded: chain C residue 66 CYS Chi-restraints excluded: chain C residue 70 GLU Chi-restraints excluded: chain C residue 71 GLN Chi-restraints excluded: chain C residue 73 LEU Chi-restraints excluded: chain C residue 74 SER Chi-restraints excluded: chain C residue 75 VAL Chi-restraints excluded: chain C residue 76 ARG Chi-restraints excluded: chain C residue 78 LEU Chi-restraints excluded: chain C residue 81 MET Chi-restraints excluded: chain C residue 100 THR Chi-restraints excluded: chain C residue 102 LEU Chi-restraints excluded: chain C residue 111 HIS Chi-restraints excluded: chain C residue 113 HIS Chi-restraints excluded: chain C residue 121 LEU Chi-restraints excluded: chain C residue 123 THR Chi-restraints excluded: chain C residue 124 SER Chi-restraints excluded: chain C residue 133 PHE Chi-restraints excluded: chain C residue 134 ASP Chi-restraints excluded: chain C residue 135 VAL Chi-restraints excluded: chain C residue 142 THR Chi-restraints excluded: chain C residue 144 GLU Chi-restraints excluded: chain C residue 149 THR Chi-restraints excluded: chain C residue 152 PRO Chi-restraints excluded: chain C residue 156 GLN Chi-restraints excluded: chain C residue 163 VAL Chi-restraints excluded: chain C residue 165 VAL Chi-restraints excluded: chain C residue 169 LEU Chi-restraints excluded: chain C residue 173 SER Chi-restraints excluded: chain C residue 176 SER Chi-restraints excluded: chain C residue 179 TYR Chi-restraints excluded: chain C residue 181 HIS Chi-restraints excluded: chain C residue 183 SER Chi-restraints excluded: chain C residue 189 LEU Chi-restraints excluded: chain C residue 191 VAL Chi-restraints excluded: chain C residue 205 ILE Chi-restraints excluded: chain C residue 208 CYS Chi-restraints excluded: chain C residue 210 GLU Chi-restraints excluded: chain C residue 211 GLU Chi-restraints excluded: chain C residue 222 LEU Chi-restraints excluded: chain C residue 238 SER Chi-restraints excluded: chain C residue 240 ASP Chi-restraints excluded: chain C residue 244 LEU Chi-restraints excluded: chain C residue 246 TYR Chi-restraints excluded: chain C residue 247 TYR Chi-restraints excluded: chain C residue 257 ARG Chi-restraints excluded: chain C residue 262 LEU Chi-restraints excluded: chain C residue 270 SER Chi-restraints excluded: chain C residue 282 ILE Chi-restraints excluded: chain C residue 286 THR Chi-restraints excluded: chain C residue 293 LEU Chi-restraints excluded: chain C residue 294 THR Chi-restraints excluded: chain C residue 299 LEU Chi-restraints excluded: chain C residue 301 VAL Chi-restraints excluded: chain C residue 313 SER Chi-restraints excluded: chain C residue 315 CYS Chi-restraints excluded: chain C residue 343 GLU Chi-restraints excluded: chain C residue 357 LEU Chi-restraints excluded: chain C residue 358 THR Chi-restraints excluded: chain C residue 359 TYR Chi-restraints excluded: chain C residue 372 LEU Chi-restraints excluded: chain C residue 373 LYS Chi-restraints excluded: chain C residue 381 GLU Chi-restraints excluded: chain C residue 390 LEU Chi-restraints excluded: chain C residue 391 THR Chi-restraints excluded: chain C residue 394 GLN Chi-restraints excluded: chain C residue 396 GLU Chi-restraints excluded: chain C residue 397 GLU Chi-restraints excluded: chain C residue 398 SER Chi-restraints excluded: chain C residue 403 MET Chi-restraints excluded: chain C residue 404 ILE Chi-restraints excluded: chain C residue 410 LEU Chi-restraints excluded: chain C residue 415 ILE Chi-restraints excluded: chain C residue 438 ILE Chi-restraints excluded: chain C residue 439 GLU Chi-restraints excluded: chain C residue 442 ILE Chi-restraints excluded: chain C residue 447 ASP Chi-restraints excluded: chain C residue 452 PHE Chi-restraints excluded: chain C residue 455 PRO Chi-restraints excluded: chain C residue 469 ARG Chi-restraints excluded: chain C residue 475 GLN Chi-restraints excluded: chain C residue 483 MET Chi-restraints excluded: chain C residue 485 SER Chi-restraints excluded: chain C residue 486 LEU Chi-restraints excluded: chain C residue 487 VAL Chi-restraints excluded: chain C residue 488 LEU Chi-restraints excluded: chain C residue 491 ILE Chi-restraints excluded: chain C residue 497 TYR Chi-restraints excluded: chain C residue 506 TYR Chi-restraints excluded: chain C residue 510 GLU Chi-restraints excluded: chain C residue 513 GLU Chi-restraints excluded: chain C residue 514 SER Chi-restraints excluded: chain C residue 517 GLU Chi-restraints excluded: chain C residue 519 VAL Chi-restraints excluded: chain C residue 521 LEU Chi-restraints excluded: chain C residue 522 LEU Chi-restraints excluded: chain C residue 526 LEU Chi-restraints excluded: chain C residue 529 LEU Chi-restraints excluded: chain C residue 530 ILE Chi-restraints excluded: chain C residue 533 ASN Chi-restraints excluded: chain C residue 536 ASN Chi-restraints excluded: chain C residue 539 LEU Chi-restraints excluded: chain C residue 540 PHE Chi-restraints excluded: chain C residue 541 SER Chi-restraints excluded: chain C residue 547 VAL Chi-restraints excluded: chain C residue 561 LEU Chi-restraints excluded: chain C residue 563 VAL Chi-restraints excluded: chain C residue 564 LEU Chi-restraints excluded: chain C residue 569 ILE Chi-restraints excluded: chain C residue 575 LEU Chi-restraints excluded: chain C residue 579 GLN Chi-restraints excluded: chain C residue 580 GLU Chi-restraints excluded: chain C residue 581 ASN Chi-restraints excluded: chain C residue 586 ILE Chi-restraints excluded: chain C residue 590 LEU Chi-restraints excluded: chain C residue 591 ASP Chi-restraints excluded: chain C residue 599 VAL Chi-restraints excluded: chain C residue 602 VAL Chi-restraints excluded: chain C residue 605 SER Chi-restraints excluded: chain C residue 609 CYS Chi-restraints excluded: chain C residue 614 VAL Chi-restraints excluded: chain C residue 621 ILE Chi-restraints excluded: chain C residue 631 LEU Chi-restraints excluded: chain C residue 635 THR Chi-restraints excluded: chain C residue 638 ILE Chi-restraints excluded: chain C residue 642 THR Chi-restraints excluded: chain C residue 661 LYS Chi-restraints excluded: chain C residue 663 TYR Chi-restraints excluded: chain C residue 665 GLU Chi-restraints excluded: chain C residue 667 MET Chi-restraints excluded: chain C residue 669 ASP Chi-restraints excluded: chain C residue 676 THR Chi-restraints excluded: chain C residue 680 THR Chi-restraints excluded: chain C residue 682 LEU Chi-restraints excluded: chain C residue 684 VAL Chi-restraints excluded: chain C residue 695 TYR Chi-restraints excluded: chain C residue 702 TRP Chi-restraints excluded: chain C residue 709 ASP Chi-restraints excluded: chain C residue 710 ASP Chi-restraints excluded: chain C residue 712 TYR Chi-restraints excluded: chain C residue 714 TYR Chi-restraints excluded: chain C residue 719 LEU Chi-restraints excluded: chain C residue 735 GLN Chi-restraints excluded: chain C residue 737 LEU Chi-restraints excluded: chain C residue 748 LEU Chi-restraints excluded: chain C residue 751 SER Chi-restraints excluded: chain C residue 752 VAL Chi-restraints excluded: chain C residue 754 SER Chi-restraints excluded: chain C residue 756 SER Chi-restraints excluded: chain C residue 757 PHE Chi-restraints excluded: chain C residue 760 ASN Chi-restraints excluded: chain C residue 771 PHE Chi-restraints excluded: chain C residue 783 PHE Chi-restraints excluded: chain C residue 815 VAL Chi-restraints excluded: chain C residue 822 ARG Chi-restraints excluded: chain C residue 829 TYR Chi-restraints excluded: chain C residue 839 LEU Chi-restraints excluded: chain C residue 867 LEU Chi-restraints excluded: chain C residue 869 ARG Chi-restraints excluded: chain C residue 886 ARG Chi-restraints excluded: chain C residue 896 VAL Chi-restraints excluded: chain C residue 900 ASN Chi-restraints excluded: chain C residue 908 VAL Chi-restraints excluded: chain C residue 910 PHE Chi-restraints excluded: chain C residue 923 GLN Chi-restraints excluded: chain C residue 928 THR Chi-restraints excluded: chain C residue 948 ASP Chi-restraints excluded: chain C residue 960 MET Chi-restraints excluded: chain C residue 961 MET Chi-restraints excluded: chain C residue 965 TYR Chi-restraints excluded: chain C residue 971 ASP Chi-restraints excluded: chain C residue 972 LEU Chi-restraints excluded: chain C residue 974 HIS Chi-restraints excluded: chain C residue 978 THR Chi-restraints excluded: chain C residue 1036 ARG Chi-restraints excluded: chain C residue 1037 ASP Chi-restraints excluded: chain C residue 1039 LEU Chi-restraints excluded: chain C residue 1045 THR Chi-restraints excluded: chain C residue 1054 GLU Chi-restraints excluded: chain C residue 1072 VAL Chi-restraints excluded: chain C residue 1076 ARG Chi-restraints excluded: chain C residue 1078 GLU Chi-restraints excluded: chain C residue 1081 TYR Chi-restraints excluded: chain C residue 1087 ARG Chi-restraints excluded: chain C residue 1093 GLU Chi-restraints excluded: chain C residue 1101 ARG Chi-restraints excluded: chain C residue 1108 GLU Chi-restraints excluded: chain C residue 1120 LEU Chi-restraints excluded: chain C residue 1127 HIS Chi-restraints excluded: chain C residue 1132 TRP Chi-restraints excluded: chain C residue 1133 HIS Chi-restraints excluded: chain C residue 1134 LEU Chi-restraints excluded: chain C residue 1139 PHE Chi-restraints excluded: chain C residue 1143 TRP Chi-restraints excluded: chain C residue 1158 ASN Chi-restraints excluded: chain C residue 1163 THR Chi-restraints excluded: chain C residue 1169 LEU Chi-restraints excluded: chain C residue 1172 ASP Chi-restraints excluded: chain C residue 1184 ILE Chi-restraints excluded: chain C residue 1191 VAL Chi-restraints excluded: chain C residue 1201 HIS Chi-restraints excluded: chain C residue 1203 ASN Chi-restraints excluded: chain C residue 1204 LEU Chi-restraints excluded: chain C residue 1209 SER Chi-restraints excluded: chain C residue 1216 ILE Chi-restraints excluded: chain C residue 1219 LEU Chi-restraints excluded: chain C residue 1226 PHE Chi-restraints excluded: chain C residue 1235 THR Chi-restraints excluded: chain C residue 1240 LYS Chi-restraints excluded: chain C residue 1242 LEU Chi-restraints excluded: chain C residue 1245 PHE Chi-restraints excluded: chain C residue 1248 VAL Chi-restraints excluded: chain C residue 1251 GLU Chi-restraints excluded: chain C residue 1254 HIS Chi-restraints excluded: chain C residue 1266 THR Chi-restraints excluded: chain C residue 1272 LEU Chi-restraints excluded: chain C residue 1575 LEU Chi-restraints excluded: chain C residue 1595 LEU Chi-restraints excluded: chain C residue 1597 VAL Chi-restraints excluded: chain C residue 1600 LEU Chi-restraints excluded: chain C residue 1601 MET Chi-restraints excluded: chain C residue 1605 TRP Chi-restraints excluded: chain C residue 1613 LEU Chi-restraints excluded: chain C residue 1636 MET Chi-restraints excluded: chain C residue 1641 ILE Chi-restraints excluded: chain C residue 1648 MET Chi-restraints excluded: chain C residue 1649 ASP Chi-restraints excluded: chain C residue 1652 GLU Chi-restraints excluded: chain C residue 1654 SER Chi-restraints excluded: chain C residue 1657 LEU Chi-restraints excluded: chain C residue 1658 ASP Chi-restraints excluded: chain C residue 1661 ARG Chi-restraints excluded: chain C residue 1666 THR Chi-restraints excluded: chain C residue 1673 VAL Chi-restraints excluded: chain C residue 1679 ASN Chi-restraints excluded: chain C residue 1694 LEU Chi-restraints excluded: chain C residue 1695 LEU Chi-restraints excluded: chain C residue 1699 GLU Chi-restraints excluded: chain C residue 1700 ASP Chi-restraints excluded: chain C residue 1703 LEU Chi-restraints excluded: chain C residue 1707 LEU Chi-restraints excluded: chain C residue 1713 ASP Chi-restraints excluded: chain C residue 1720 LEU Chi-restraints excluded: chain C residue 1721 GLU Chi-restraints excluded: chain C residue 1731 LEU Chi-restraints excluded: chain C residue 1738 LEU Chi-restraints excluded: chain C residue 1739 THR Chi-restraints excluded: chain C residue 1743 ARG Chi-restraints excluded: chain C residue 1768 THR Chi-restraints excluded: chain C residue 1770 SER Chi-restraints excluded: chain C residue 1772 ARG Chi-restraints excluded: chain C residue 1778 SER Chi-restraints excluded: chain C residue 1797 ARG Chi-restraints excluded: chain C residue 1798 LEU Chi-restraints excluded: chain C residue 1819 VAL Chi-restraints excluded: chain C residue 1839 VAL Chi-restraints excluded: chain C residue 1842 LEU Chi-restraints excluded: chain C residue 1848 LEU Chi-restraints excluded: chain C residue 1850 VAL Chi-restraints excluded: chain C residue 1853 ILE Chi-restraints excluded: chain C residue 1856 ASP Chi-restraints excluded: chain C residue 1857 GLU Chi-restraints excluded: chain C residue 1861 GLN Chi-restraints excluded: chain C residue 1870 VAL Chi-restraints excluded: chain C residue 1928 GLN Chi-restraints excluded: chain C residue 1935 VAL Chi-restraints excluded: chain C residue 1939 MET Chi-restraints excluded: chain C residue 1942 LEU Chi-restraints excluded: chain C residue 1943 LEU Chi-restraints excluded: chain C residue 1944 GLU Chi-restraints excluded: chain C residue 1947 CYS Chi-restraints excluded: chain C residue 1951 LEU Chi-restraints excluded: chain C residue 1958 LEU Chi-restraints excluded: chain C residue 1963 GLU Chi-restraints excluded: chain C residue 1966 VAL Chi-restraints excluded: chain C residue 1968 LYS Chi-restraints excluded: chain C residue 1976 ARG Chi-restraints excluded: chain C residue 1996 ARG Chi-restraints excluded: chain C residue 1997 GLU Chi-restraints excluded: chain C residue 2028 ARG Chi-restraints excluded: chain C residue 2030 ASP Chi-restraints excluded: chain C residue 2031 LEU Chi-restraints excluded: chain C residue 2034 PHE Chi-restraints excluded: chain C residue 2035 HIS Chi-restraints excluded: chain C residue 2095 GLN Chi-restraints excluded: chain C residue 2098 VAL Chi-restraints excluded: chain C residue 2101 MET Chi-restraints excluded: chain C residue 2103 VAL Chi-restraints excluded: chain C residue 2104 ARG Chi-restraints excluded: chain C residue 2115 GLU Chi-restraints excluded: chain C residue 2117 VAL Chi-restraints excluded: chain C residue 2118 ARG Chi-restraints excluded: chain C residue 2120 MET Chi-restraints excluded: chain C residue 2122 SER Chi-restraints excluded: chain C residue 2125 HIS Chi-restraints excluded: chain C residue 2128 TYR Chi-restraints excluded: chain C residue 2138 LEU Chi-restraints excluded: chain C residue 2143 THR Chi-restraints excluded: chain C residue 2148 SER Chi-restraints excluded: chain C residue 2150 GLU Chi-restraints excluded: chain C residue 2155 LEU Chi-restraints excluded: chain C residue 2164 SER Chi-restraints excluded: chain C residue 2166 LEU Chi-restraints excluded: chain C residue 2169 GLN Chi-restraints excluded: chain C residue 2184 ASN Chi-restraints excluded: chain C residue 2185 ILE Chi-restraints excluded: chain C residue 2186 MET Chi-restraints excluded: chain C residue 2187 ASN Chi-restraints excluded: chain C residue 2188 ASN Chi-restraints excluded: chain C residue 2189 LYS Chi-restraints excluded: chain C residue 2203 MET Chi-restraints excluded: chain C residue 2207 VAL Chi-restraints excluded: chain C residue 2225 PHE Chi-restraints excluded: chain C residue 2228 MET Chi-restraints excluded: chain C residue 2229 VAL Chi-restraints excluded: chain C residue 2231 SER Chi-restraints excluded: chain C residue 2232 CYS Chi-restraints excluded: chain C residue 2237 CYS Chi-restraints excluded: chain C residue 2246 ASN Chi-restraints excluded: chain C residue 2254 LEU Chi-restraints excluded: chain C residue 2258 LEU Chi-restraints excluded: chain C residue 2260 ASN Chi-restraints excluded: chain C residue 2265 LEU Chi-restraints excluded: chain C residue 2275 VAL Chi-restraints excluded: chain C residue 2279 SER Chi-restraints excluded: chain C residue 2280 VAL Chi-restraints excluded: chain C residue 2292 GLU Chi-restraints excluded: chain C residue 2298 VAL Chi-restraints excluded: chain C residue 2330 ARG Chi-restraints excluded: chain C residue 2334 PHE Chi-restraints excluded: chain C residue 2346 VAL Chi-restraints excluded: chain C residue 2348 GLU Chi-restraints excluded: chain C residue 2349 ASN Chi-restraints excluded: chain C residue 2353 VAL Chi-restraints excluded: chain C residue 2354 VAL Chi-restraints excluded: chain C residue 2356 LEU Chi-restraints excluded: chain C residue 2357 LEU Chi-restraints excluded: chain C residue 2368 LEU Chi-restraints excluded: chain C residue 2376 LEU Chi-restraints excluded: chain C residue 2377 LEU Chi-restraints excluded: chain C residue 2380 ILE Chi-restraints excluded: chain C residue 2418 LEU Chi-restraints excluded: chain C residue 2432 LEU Chi-restraints excluded: chain C residue 2433 LEU Chi-restraints excluded: chain C residue 2440 MET Chi-restraints excluded: chain C residue 2449 GLU Chi-restraints excluded: chain C residue 2451 LEU Chi-restraints excluded: chain C residue 2454 ARG Chi-restraints excluded: chain C residue 2457 LEU Chi-restraints excluded: chain C residue 2460 LEU Chi-restraints excluded: chain C residue 2463 LEU Chi-restraints excluded: chain C residue 2472 LEU Chi-restraints excluded: chain C residue 2756 ASN Chi-restraints excluded: chain C residue 2760 GLU Chi-restraints excluded: chain C residue 2762 THR Chi-restraints excluded: chain C residue 2773 ASN Chi-restraints excluded: chain C residue 2792 ARG Chi-restraints excluded: chain C residue 2809 ILE Chi-restraints excluded: chain C residue 2811 GLU Chi-restraints excluded: chain C residue 2821 TRP Chi-restraints excluded: chain C residue 2855 TYR Chi-restraints excluded: chain C residue 2856 ASN Chi-restraints excluded: chain C residue 2867 LEU Chi-restraints excluded: chain C residue 2868 SER Chi-restraints excluded: chain C residue 2881 ASN Chi-restraints excluded: chain C residue 2888 ARG Chi-restraints excluded: chain C residue 2889 LYS Chi-restraints excluded: chain C residue 2894 LEU Chi-restraints excluded: chain C residue 2902 HIS Chi-restraints excluded: chain C residue 2905 LEU Chi-restraints excluded: chain C residue 2906 VAL Chi-restraints excluded: chain C residue 2910 THR Chi-restraints excluded: chain C residue 2911 LEU Chi-restraints excluded: chain C residue 2929 PHE Chi-restraints excluded: chain C residue 2935 TYR Chi-restraints excluded: chain C residue 2938 THR Chi-restraints excluded: chain C residue 3639 THR Chi-restraints excluded: chain C residue 3646 THR Chi-restraints excluded: chain C residue 3651 ASN Chi-restraints excluded: chain C residue 3652 MET Chi-restraints excluded: chain C residue 3661 TRP Chi-restraints excluded: chain C residue 3665 GLU Chi-restraints excluded: chain C residue 3666 ASP Chi-restraints excluded: chain C residue 3669 PHE Chi-restraints excluded: chain C residue 3676 ASP Chi-restraints excluded: chain C residue 3679 LYS Chi-restraints excluded: chain C residue 3697 PRO Chi-restraints excluded: chain C residue 3698 LEU Chi-restraints excluded: chain C residue 3702 VAL Chi-restraints excluded: chain C residue 3708 THR Chi-restraints excluded: chain C residue 3711 THR Chi-restraints excluded: chain C residue 3714 SER Chi-restraints excluded: chain C residue 3717 ASP Chi-restraints excluded: chain C residue 3720 TYR Chi-restraints excluded: chain C residue 3725 TYR Chi-restraints excluded: chain C residue 3727 ASP Chi-restraints excluded: chain C residue 3732 SER Chi-restraints excluded: chain C residue 3753 PHE Chi-restraints excluded: chain C residue 3763 LEU Chi-restraints excluded: chain C residue 3766 GLN Chi-restraints excluded: chain C residue 3773 ARG Chi-restraints excluded: chain C residue 3786 CYS Chi-restraints excluded: chain C residue 3787 LYS Chi-restraints excluded: chain C residue 3790 THR Chi-restraints excluded: chain C residue 3796 SER Chi-restraints excluded: chain C residue 3797 THR Chi-restraints excluded: chain C residue 3798 LEU Chi-restraints excluded: chain C residue 3802 ILE Chi-restraints excluded: chain C residue 3811 GLU Chi-restraints excluded: chain C residue 3816 MET Chi-restraints excluded: chain C residue 3822 ASP Chi-restraints excluded: chain C residue 3828 PHE Chi-restraints excluded: chain C residue 3838 THR Chi-restraints excluded: chain C residue 3843 ASP Chi-restraints excluded: chain C residue 3844 LEU Chi-restraints excluded: chain C residue 3881 THR Chi-restraints excluded: chain C residue 3882 GLN Chi-restraints excluded: chain C residue 3883 ASP Chi-restraints excluded: chain C residue 3890 LEU Chi-restraints excluded: chain C residue 3891 LEU Chi-restraints excluded: chain C residue 3895 HIS Chi-restraints excluded: chain C residue 3900 GLN Chi-restraints excluded: chain C residue 3909 ASN Chi-restraints excluded: chain C residue 3913 ILE Chi-restraints excluded: chain C residue 3915 ILE Chi-restraints excluded: chain C residue 3916 ILE Chi-restraints excluded: chain C residue 3917 ILE Chi-restraints excluded: chain C residue 3920 VAL Chi-restraints excluded: chain C residue 3924 LEU Chi-restraints excluded: chain C residue 3927 GLN Chi-restraints excluded: chain C residue 3928 GLU Chi-restraints excluded: chain C residue 3929 SER Chi-restraints excluded: chain C residue 3931 SER Chi-restraints excluded: chain C residue 3932 ASP Chi-restraints excluded: chain C residue 3937 TYR Chi-restraints excluded: chain C residue 3944 GLU Chi-restraints excluded: chain C residue 3946 GLN Chi-restraints excluded: chain C residue 3953 LYS Chi-restraints excluded: chain C residue 3957 VAL Chi-restraints excluded: chain C residue 3959 LYS Chi-restraints excluded: chain C residue 3961 VAL Chi-restraints excluded: chain C residue 3964 SER Chi-restraints excluded: chain C residue 3974 THR Chi-restraints excluded: chain C residue 3979 SER Chi-restraints excluded: chain C residue 3982 HIS Chi-restraints excluded: chain C residue 3986 TRP Chi-restraints excluded: chain C residue 3987 ASP Chi-restraints excluded: chain C residue 3990 VAL Chi-restraints excluded: chain C residue 3996 PHE Chi-restraints excluded: chain C residue 4020 GLN Chi-restraints excluded: chain C residue 4022 ASP Chi-restraints excluded: chain C residue 4023 MET Chi-restraints excluded: chain C residue 4025 VAL Chi-restraints excluded: chain C residue 4034 ASN Chi-restraints excluded: chain C residue 4035 VAL Chi-restraints excluded: chain C residue 4036 VAL Chi-restraints excluded: chain C residue 4045 VAL Chi-restraints excluded: chain C residue 4046 ASP Chi-restraints excluded: chain C residue 4049 VAL Chi-restraints excluded: chain C residue 4055 VAL Chi-restraints excluded: chain C residue 4059 LEU Chi-restraints excluded: chain C residue 4066 LEU Chi-restraints excluded: chain C residue 4070 ASP Chi-restraints excluded: chain C residue 4088 ILE Chi-restraints excluded: chain C residue 4090 LYS Chi-restraints excluded: chain C residue 4095 LYS Chi-restraints excluded: chain C residue 4102 GLN Chi-restraints excluded: chain C residue 4109 GLN Chi-restraints excluded: chain C residue 4121 GLU Chi-restraints excluded: chain C residue 4128 PHE Chi-restraints excluded: chain C residue 4139 ILE Chi-restraints excluded: chain C residue 4142 ASN Chi-restraints excluded: chain C residue 4143 VAL Chi-restraints excluded: chain C residue 4150 LEU Chi-restraints excluded: chain C residue 4151 SER Chi-restraints excluded: chain C residue 4157 ASP Chi-restraints excluded: chain C residue 4159 ARG Chi-restraints excluded: chain C residue 4160 LEU Chi-restraints excluded: chain C residue 4162 ASN Chi-restraints excluded: chain C residue 4164 LEU Chi-restraints excluded: chain C residue 4166 LEU Chi-restraints excluded: chain C residue 4171 LEU Chi-restraints excluded: chain C residue 4178 LEU Chi-restraints excluded: chain C residue 4181 ILE Chi-restraints excluded: chain C residue 4190 ILE Chi-restraints excluded: chain C residue 4192 ARG Chi-restraints excluded: chain C residue 4195 PHE Chi-restraints excluded: chain C residue 4200 THR Chi-restraints excluded: chain C residue 4205 TRP Chi-restraints excluded: chain C residue 4206 GLU Chi-restraints excluded: chain C residue 4212 GLU Chi-restraints excluded: chain C residue 4231 MET Chi-restraints excluded: chain C residue 4237 PHE Chi-restraints excluded: chain C residue 4238 CYS Chi-restraints excluded: chain C residue 4244 GLU Chi-restraints excluded: chain C residue 4250 GLN Chi-restraints excluded: chain C residue 4251 ILE Chi-restraints excluded: chain C residue 4252 SER Chi-restraints excluded: chain C residue 4546 VAL Chi-restraints excluded: chain C residue 4547 GLN Chi-restraints excluded: chain C residue 4549 VAL Chi-restraints excluded: chain C residue 4552 LEU Chi-restraints excluded: chain C residue 4558 ASN Chi-restraints excluded: chain C residue 4559 PHE Chi-restraints excluded: chain C residue 4565 LEU Chi-restraints excluded: chain C residue 4571 PHE Chi-restraints excluded: chain C residue 4573 ILE Chi-restraints excluded: chain C residue 4577 LEU Chi-restraints excluded: chain C residue 4630 TYR Chi-restraints excluded: chain C residue 4631 PHE Chi-restraints excluded: chain C residue 4632 LEU Chi-restraints excluded: chain C residue 4635 SER Chi-restraints excluded: chain C residue 4638 TYR Chi-restraints excluded: chain C residue 4640 GLU Chi-restraints excluded: chain C residue 4643 LEU Chi-restraints excluded: chain C residue 4646 LEU Chi-restraints excluded: chain C residue 4649 LEU Chi-restraints excluded: chain C residue 4651 THR Chi-restraints excluded: chain C residue 4652 LEU Chi-restraints excluded: chain C residue 4656 LEU Chi-restraints excluded: chain C residue 4657 CYS Chi-restraints excluded: chain C residue 4663 CYS Chi-restraints excluded: chain C residue 4666 VAL Chi-restraints excluded: chain C residue 4668 LEU Chi-restraints excluded: chain C residue 4671 PHE Chi-restraints excluded: chain C residue 4674 GLU Chi-restraints excluded: chain C residue 4676 GLU Chi-restraints excluded: chain C residue 4677 LEU Chi-restraints excluded: chain C residue 4684 ASP Chi-restraints excluded: chain C residue 4686 LEU Chi-restraints excluded: chain C residue 4688 ILE Chi-restraints excluded: chain C residue 4691 GLN Chi-restraints excluded: chain C residue 4701 TRP Chi-restraints excluded: chain C residue 4714 ASN Chi-restraints excluded: chain C residue 4723 LYS Chi-restraints excluded: chain C residue 4727 LYS Chi-restraints excluded: chain C residue 4731 ILE Chi-restraints excluded: chain C residue 4739 GLU Chi-restraints excluded: chain C residue 4743 MET Chi-restraints excluded: chain C residue 4747 SER Chi-restraints excluded: chain C residue 4770 SER Chi-restraints excluded: chain C residue 4771 ILE Chi-restraints excluded: chain C residue 4774 LYS Chi-restraints excluded: chain C residue 4777 ILE Chi-restraints excluded: chain C residue 4780 PHE Chi-restraints excluded: chain C residue 4783 ILE Chi-restraints excluded: chain C residue 4786 ASP Chi-restraints excluded: chain C residue 4794 TRP Chi-restraints excluded: chain C residue 4797 VAL Chi-restraints excluded: chain C residue 4798 MET Chi-restraints excluded: chain C residue 4807 PHE Chi-restraints excluded: chain C residue 4818 MET Chi-restraints excluded: chain C residue 4822 THR Chi-restraints excluded: chain C residue 4827 LEU Chi-restraints excluded: chain C residue 4830 VAL Chi-restraints excluded: chain C residue 4836 GLN Chi-restraints excluded: chain C residue 4838 VAL Chi-restraints excluded: chain C residue 4849 TYR Chi-restraints excluded: chain C residue 4854 VAL Chi-restraints excluded: chain C residue 4864 ASN Chi-restraints excluded: chain C residue 4867 GLU Chi-restraints excluded: chain C residue 4877 ASP Chi-restraints excluded: chain C residue 4901 ILE Chi-restraints excluded: chain C residue 4904 PRO Chi-restraints excluded: chain C residue 4913 ARG Chi-restraints excluded: chain C residue 4915 VAL Chi-restraints excluded: chain C residue 4918 ILE Chi-restraints excluded: chain C residue 4919 THR Chi-restraints excluded: chain C residue 4920 PHE Chi-restraints excluded: chain C residue 4921 PHE Chi-restraints excluded: chain C residue 4922 PHE Chi-restraints excluded: chain C residue 4945 ASP Chi-restraints excluded: chain C residue 4950 VAL Chi-restraints excluded: chain C residue 4960 ILE Chi-restraints excluded: chain C residue 4966 ASP Chi-restraints excluded: chain C residue 4976 GLU Chi-restraints excluded: chain C residue 4983 HIS Chi-restraints excluded: chain C residue 4984 ASN Chi-restraints excluded: chain C residue 4985 LEU Chi-restraints excluded: chain C residue 4990 PHE Chi-restraints excluded: chain C residue 4991 PHE Chi-restraints excluded: chain C residue 4994 TYR Chi-restraints excluded: chain C residue 4999 ASP Chi-restraints excluded: chain C residue 5010 VAL Chi-restraints excluded: chain C residue 5013 MET Chi-restraints excluded: chain C residue 5016 GLU Chi-restraints excluded: chain C residue 5020 ASP Chi-restraints excluded: chain C residue 5027 CYS Chi-restraints excluded: chain D residue 12 GLN Chi-restraints excluded: chain D residue 14 LEU Chi-restraints excluded: chain D residue 15 ARG Chi-restraints excluded: chain D residue 16 THR Chi-restraints excluded: chain D residue 17 ASP Chi-restraints excluded: chain D residue 18 ASP Chi-restraints excluded: chain D residue 19 GLU Chi-restraints excluded: chain D residue 29 LEU Chi-restraints excluded: chain D residue 32 GLN Chi-restraints excluded: chain D residue 35 LEU Chi-restraints excluded: chain D residue 40 GLU Chi-restraints excluded: chain D residue 44 ASN Chi-restraints excluded: chain D residue 49 LEU Chi-restraints excluded: chain D residue 66 CYS Chi-restraints excluded: chain D residue 69 LEU Chi-restraints excluded: chain D residue 70 GLU Chi-restraints excluded: chain D residue 71 GLN Chi-restraints excluded: chain D residue 73 LEU Chi-restraints excluded: chain D residue 74 SER Chi-restraints excluded: chain D residue 75 VAL Chi-restraints excluded: chain D residue 76 ARG Chi-restraints excluded: chain D residue 78 LEU Chi-restraints excluded: chain D residue 81 MET Chi-restraints excluded: chain D residue 100 THR Chi-restraints excluded: chain D residue 102 LEU Chi-restraints excluded: chain D residue 111 HIS Chi-restraints excluded: chain D residue 113 HIS Chi-restraints excluded: chain D residue 121 LEU Chi-restraints excluded: chain D residue 123 THR Chi-restraints excluded: chain D residue 124 SER Chi-restraints excluded: chain D residue 133 PHE Chi-restraints excluded: chain D residue 135 VAL Chi-restraints excluded: chain D residue 142 THR Chi-restraints excluded: chain D residue 144 GLU Chi-restraints excluded: chain D residue 149 THR Chi-restraints excluded: chain D residue 152 PRO Chi-restraints excluded: chain D residue 156 GLN Chi-restraints excluded: chain D residue 163 VAL Chi-restraints excluded: chain D residue 165 VAL Chi-restraints excluded: chain D residue 167 ASP Chi-restraints excluded: chain D residue 169 LEU Chi-restraints excluded: chain D residue 173 SER Chi-restraints excluded: chain D residue 179 TYR Chi-restraints excluded: chain D residue 181 HIS Chi-restraints excluded: chain D residue 183 SER Chi-restraints excluded: chain D residue 189 LEU Chi-restraints excluded: chain D residue 191 VAL Chi-restraints excluded: chain D residue 194 SER Chi-restraints excluded: chain D residue 205 ILE Chi-restraints excluded: chain D residue 208 CYS Chi-restraints excluded: chain D residue 210 GLU Chi-restraints excluded: chain D residue 211 GLU Chi-restraints excluded: chain D residue 222 LEU Chi-restraints excluded: chain D residue 238 SER Chi-restraints excluded: chain D residue 240 ASP Chi-restraints excluded: chain D residue 244 LEU Chi-restraints excluded: chain D residue 246 TYR Chi-restraints excluded: chain D residue 247 TYR Chi-restraints excluded: chain D residue 257 ARG Chi-restraints excluded: chain D residue 262 LEU Chi-restraints excluded: chain D residue 270 SER Chi-restraints excluded: chain D residue 282 ILE Chi-restraints excluded: chain D residue 286 THR Chi-restraints excluded: chain D residue 293 LEU Chi-restraints excluded: chain D residue 294 THR Chi-restraints excluded: chain D residue 299 LEU Chi-restraints excluded: chain D residue 301 VAL Chi-restraints excluded: chain D residue 313 SER Chi-restraints excluded: chain D residue 315 CYS Chi-restraints excluded: chain D residue 343 GLU Chi-restraints excluded: chain D residue 357 LEU Chi-restraints excluded: chain D residue 358 THR Chi-restraints excluded: chain D residue 359 TYR Chi-restraints excluded: chain D residue 373 LYS Chi-restraints excluded: chain D residue 381 GLU Chi-restraints excluded: chain D residue 390 LEU Chi-restraints excluded: chain D residue 391 THR Chi-restraints excluded: chain D residue 394 GLN Chi-restraints excluded: chain D residue 396 GLU Chi-restraints excluded: chain D residue 397 GLU Chi-restraints excluded: chain D residue 398 SER Chi-restraints excluded: chain D residue 403 MET Chi-restraints excluded: chain D residue 404 ILE Chi-restraints excluded: chain D residue 410 LEU Chi-restraints excluded: chain D residue 415 ILE Chi-restraints excluded: chain D residue 438 ILE Chi-restraints excluded: chain D residue 439 GLU Chi-restraints excluded: chain D residue 442 ILE Chi-restraints excluded: chain D residue 447 ASP Chi-restraints excluded: chain D residue 452 PHE Chi-restraints excluded: chain D residue 459 LEU Chi-restraints excluded: chain D residue 460 GLN Chi-restraints excluded: chain D residue 462 GLU Chi-restraints excluded: chain D residue 463 GLU Chi-restraints excluded: chain D residue 469 ARG Chi-restraints excluded: chain D residue 471 LEU Chi-restraints excluded: chain D residue 475 GLN Chi-restraints excluded: chain D residue 483 MET Chi-restraints excluded: chain D residue 485 SER Chi-restraints excluded: chain D residue 486 LEU Chi-restraints excluded: chain D residue 487 VAL Chi-restraints excluded: chain D residue 488 LEU Chi-restraints excluded: chain D residue 491 ILE Chi-restraints excluded: chain D residue 497 TYR Chi-restraints excluded: chain D residue 506 TYR Chi-restraints excluded: chain D residue 510 GLU Chi-restraints excluded: chain D residue 513 GLU Chi-restraints excluded: chain D residue 514 SER Chi-restraints excluded: chain D residue 517 GLU Chi-restraints excluded: chain D residue 519 VAL Chi-restraints excluded: chain D residue 522 LEU Chi-restraints excluded: chain D residue 526 LEU Chi-restraints excluded: chain D residue 529 LEU Chi-restraints excluded: chain D residue 530 ILE Chi-restraints excluded: chain D residue 533 ASN Chi-restraints excluded: chain D residue 536 ASN Chi-restraints excluded: chain D residue 539 LEU Chi-restraints excluded: chain D residue 540 PHE Chi-restraints excluded: chain D residue 541 SER Chi-restraints excluded: chain D residue 547 VAL Chi-restraints excluded: chain D residue 561 LEU Chi-restraints excluded: chain D residue 563 VAL Chi-restraints excluded: chain D residue 564 LEU Chi-restraints excluded: chain D residue 569 ILE Chi-restraints excluded: chain D residue 575 LEU Chi-restraints excluded: chain D residue 579 GLN Chi-restraints excluded: chain D residue 580 GLU Chi-restraints excluded: chain D residue 581 ASN Chi-restraints excluded: chain D residue 586 ILE Chi-restraints excluded: chain D residue 590 LEU Chi-restraints excluded: chain D residue 591 ASP Chi-restraints excluded: chain D residue 599 VAL Chi-restraints excluded: chain D residue 602 VAL Chi-restraints excluded: chain D residue 605 SER Chi-restraints excluded: chain D residue 609 CYS Chi-restraints excluded: chain D residue 614 VAL Chi-restraints excluded: chain D residue 621 ILE Chi-restraints excluded: chain D residue 631 LEU Chi-restraints excluded: chain D residue 635 THR Chi-restraints excluded: chain D residue 638 ILE Chi-restraints excluded: chain D residue 642 THR Chi-restraints excluded: chain D residue 661 LYS Chi-restraints excluded: chain D residue 663 TYR Chi-restraints excluded: chain D residue 665 GLU Chi-restraints excluded: chain D residue 667 MET Chi-restraints excluded: chain D residue 669 ASP Chi-restraints excluded: chain D residue 676 THR Chi-restraints excluded: chain D residue 680 THR Chi-restraints excluded: chain D residue 682 LEU Chi-restraints excluded: chain D residue 684 VAL Chi-restraints excluded: chain D residue 695 TYR Chi-restraints excluded: chain D residue 702 TRP Chi-restraints excluded: chain D residue 709 ASP Chi-restraints excluded: chain D residue 710 ASP Chi-restraints excluded: chain D residue 712 TYR Chi-restraints excluded: chain D residue 714 TYR Chi-restraints excluded: chain D residue 719 LEU Chi-restraints excluded: chain D residue 737 LEU Chi-restraints excluded: chain D residue 748 LEU Chi-restraints excluded: chain D residue 751 SER Chi-restraints excluded: chain D residue 752 VAL Chi-restraints excluded: chain D residue 754 SER Chi-restraints excluded: chain D residue 756 SER Chi-restraints excluded: chain D residue 757 PHE Chi-restraints excluded: chain D residue 760 ASN Chi-restraints excluded: chain D residue 771 PHE Chi-restraints excluded: chain D residue 783 PHE Chi-restraints excluded: chain D residue 815 VAL Chi-restraints excluded: chain D residue 822 ARG Chi-restraints excluded: chain D residue 829 TYR Chi-restraints excluded: chain D residue 839 LEU Chi-restraints excluded: chain D residue 867 LEU Chi-restraints excluded: chain D residue 869 ARG Chi-restraints excluded: chain D residue 886 ARG Chi-restraints excluded: chain D residue 896 VAL Chi-restraints excluded: chain D residue 900 ASN Chi-restraints excluded: chain D residue 908 VAL Chi-restraints excluded: chain D residue 910 PHE Chi-restraints excluded: chain D residue 923 GLN Chi-restraints excluded: chain D residue 928 THR Chi-restraints excluded: chain D residue 948 ASP Chi-restraints excluded: chain D residue 960 MET Chi-restraints excluded: chain D residue 961 MET Chi-restraints excluded: chain D residue 965 TYR Chi-restraints excluded: chain D residue 971 ASP Chi-restraints excluded: chain D residue 972 LEU Chi-restraints excluded: chain D residue 974 HIS Chi-restraints excluded: chain D residue 978 THR Chi-restraints excluded: chain D residue 1036 ARG Chi-restraints excluded: chain D residue 1037 ASP Chi-restraints excluded: chain D residue 1039 LEU Chi-restraints excluded: chain D residue 1045 THR Chi-restraints excluded: chain D residue 1072 VAL Chi-restraints excluded: chain D residue 1076 ARG Chi-restraints excluded: chain D residue 1078 GLU Chi-restraints excluded: chain D residue 1081 TYR Chi-restraints excluded: chain D residue 1087 ARG Chi-restraints excluded: chain D residue 1093 GLU Chi-restraints excluded: chain D residue 1101 ARG Chi-restraints excluded: chain D residue 1108 GLU Chi-restraints excluded: chain D residue 1120 LEU Chi-restraints excluded: chain D residue 1127 HIS Chi-restraints excluded: chain D residue 1132 TRP Chi-restraints excluded: chain D residue 1133 HIS Chi-restraints excluded: chain D residue 1134 LEU Chi-restraints excluded: chain D residue 1139 PHE Chi-restraints excluded: chain D residue 1143 TRP Chi-restraints excluded: chain D residue 1158 ASN Chi-restraints excluded: chain D residue 1163 THR Chi-restraints excluded: chain D residue 1169 LEU Chi-restraints excluded: chain D residue 1172 ASP Chi-restraints excluded: chain D residue 1184 ILE Chi-restraints excluded: chain D residue 1191 VAL Chi-restraints excluded: chain D residue 1201 HIS Chi-restraints excluded: chain D residue 1203 ASN Chi-restraints excluded: chain D residue 1209 SER Chi-restraints excluded: chain D residue 1216 ILE Chi-restraints excluded: chain D residue 1219 LEU Chi-restraints excluded: chain D residue 1226 PHE Chi-restraints excluded: chain D residue 1235 THR Chi-restraints excluded: chain D residue 1240 LYS Chi-restraints excluded: chain D residue 1242 LEU Chi-restraints excluded: chain D residue 1245 PHE Chi-restraints excluded: chain D residue 1248 VAL Chi-restraints excluded: chain D residue 1251 GLU Chi-restraints excluded: chain D residue 1254 HIS Chi-restraints excluded: chain D residue 1266 THR Chi-restraints excluded: chain D residue 1272 LEU Chi-restraints excluded: chain D residue 1575 LEU Chi-restraints excluded: chain D residue 1595 LEU Chi-restraints excluded: chain D residue 1597 VAL Chi-restraints excluded: chain D residue 1600 LEU Chi-restraints excluded: chain D residue 1601 MET Chi-restraints excluded: chain D residue 1605 TRP Chi-restraints excluded: chain D residue 1613 LEU Chi-restraints excluded: chain D residue 1639 LEU Chi-restraints excluded: chain D residue 1641 ILE Chi-restraints excluded: chain D residue 1648 MET Chi-restraints excluded: chain D residue 1649 ASP Chi-restraints excluded: chain D residue 1652 GLU Chi-restraints excluded: chain D residue 1654 SER Chi-restraints excluded: chain D residue 1657 LEU Chi-restraints excluded: chain D residue 1658 ASP Chi-restraints excluded: chain D residue 1661 ARG Chi-restraints excluded: chain D residue 1666 THR Chi-restraints excluded: chain D residue 1673 VAL Chi-restraints excluded: chain D residue 1679 ASN Chi-restraints excluded: chain D residue 1686 CYS Chi-restraints excluded: chain D residue 1694 LEU Chi-restraints excluded: chain D residue 1699 GLU Chi-restraints excluded: chain D residue 1700 ASP Chi-restraints excluded: chain D residue 1703 LEU Chi-restraints excluded: chain D residue 1707 LEU Chi-restraints excluded: chain D residue 1713 ASP Chi-restraints excluded: chain D residue 1720 LEU Chi-restraints excluded: chain D residue 1721 GLU Chi-restraints excluded: chain D residue 1731 LEU Chi-restraints excluded: chain D residue 1738 LEU Chi-restraints excluded: chain D residue 1739 THR Chi-restraints excluded: chain D residue 1743 ARG Chi-restraints excluded: chain D residue 1760 HIS Chi-restraints excluded: chain D residue 1768 THR Chi-restraints excluded: chain D residue 1770 SER Chi-restraints excluded: chain D residue 1772 ARG Chi-restraints excluded: chain D residue 1778 SER Chi-restraints excluded: chain D residue 1797 ARG Chi-restraints excluded: chain D residue 1798 LEU Chi-restraints excluded: chain D residue 1819 VAL Chi-restraints excluded: chain D residue 1839 VAL Chi-restraints excluded: chain D residue 1842 LEU Chi-restraints excluded: chain D residue 1848 LEU Chi-restraints excluded: chain D residue 1850 VAL Chi-restraints excluded: chain D residue 1853 ILE Chi-restraints excluded: chain D residue 1856 ASP Chi-restraints excluded: chain D residue 1857 GLU Chi-restraints excluded: chain D residue 1861 GLN Chi-restraints excluded: chain D residue 1870 VAL Chi-restraints excluded: chain D residue 1928 GLN Chi-restraints excluded: chain D residue 1935 VAL Chi-restraints excluded: chain D residue 1939 MET Chi-restraints excluded: chain D residue 1942 LEU Chi-restraints excluded: chain D residue 1943 LEU Chi-restraints excluded: chain D residue 1944 GLU Chi-restraints excluded: chain D residue 1947 CYS Chi-restraints excluded: chain D residue 1951 LEU Chi-restraints excluded: chain D residue 1958 LEU Chi-restraints excluded: chain D residue 1963 GLU Chi-restraints excluded: chain D residue 1966 VAL Chi-restraints excluded: chain D residue 1968 LYS Chi-restraints excluded: chain D residue 1976 ARG Chi-restraints excluded: chain D residue 1996 ARG Chi-restraints excluded: chain D residue 1997 GLU Chi-restraints excluded: chain D residue 2028 ARG Chi-restraints excluded: chain D residue 2030 ASP Chi-restraints excluded: chain D residue 2031 LEU Chi-restraints excluded: chain D residue 2034 PHE Chi-restraints excluded: chain D residue 2035 HIS Chi-restraints excluded: chain D residue 2095 GLN Chi-restraints excluded: chain D residue 2098 VAL Chi-restraints excluded: chain D residue 2101 MET Chi-restraints excluded: chain D residue 2103 VAL Chi-restraints excluded: chain D residue 2104 ARG Chi-restraints excluded: chain D residue 2115 GLU Chi-restraints excluded: chain D residue 2117 VAL Chi-restraints excluded: chain D residue 2118 ARG Chi-restraints excluded: chain D residue 2120 MET Chi-restraints excluded: chain D residue 2122 SER Chi-restraints excluded: chain D residue 2125 HIS Chi-restraints excluded: chain D residue 2138 LEU Chi-restraints excluded: chain D residue 2143 THR Chi-restraints excluded: chain D residue 2148 SER Chi-restraints excluded: chain D residue 2150 GLU Chi-restraints excluded: chain D residue 2155 LEU Chi-restraints excluded: chain D residue 2164 SER Chi-restraints excluded: chain D residue 2166 LEU Chi-restraints excluded: chain D residue 2169 GLN Chi-restraints excluded: chain D residue 2184 ASN Chi-restraints excluded: chain D residue 2185 ILE Chi-restraints excluded: chain D residue 2186 MET Chi-restraints excluded: chain D residue 2187 ASN Chi-restraints excluded: chain D residue 2188 ASN Chi-restraints excluded: chain D residue 2189 LYS Chi-restraints excluded: chain D residue 2201 LEU Chi-restraints excluded: chain D residue 2203 MET Chi-restraints excluded: chain D residue 2207 VAL Chi-restraints excluded: chain D residue 2225 PHE Chi-restraints excluded: chain D residue 2228 MET Chi-restraints excluded: chain D residue 2229 VAL Chi-restraints excluded: chain D residue 2231 SER Chi-restraints excluded: chain D residue 2232 CYS Chi-restraints excluded: chain D residue 2237 CYS Chi-restraints excluded: chain D residue 2246 ASN Chi-restraints excluded: chain D residue 2254 LEU Chi-restraints excluded: chain D residue 2258 LEU Chi-restraints excluded: chain D residue 2260 ASN Chi-restraints excluded: chain D residue 2265 LEU Chi-restraints excluded: chain D residue 2275 VAL Chi-restraints excluded: chain D residue 2279 SER Chi-restraints excluded: chain D residue 2280 VAL Chi-restraints excluded: chain D residue 2292 GLU Chi-restraints excluded: chain D residue 2298 VAL Chi-restraints excluded: chain D residue 2330 ARG Chi-restraints excluded: chain D residue 2334 PHE Chi-restraints excluded: chain D residue 2346 VAL Chi-restraints excluded: chain D residue 2347 GLU Chi-restraints excluded: chain D residue 2348 GLU Chi-restraints excluded: chain D residue 2349 ASN Chi-restraints excluded: chain D residue 2353 VAL Chi-restraints excluded: chain D residue 2354 VAL Chi-restraints excluded: chain D residue 2356 LEU Chi-restraints excluded: chain D residue 2357 LEU Chi-restraints excluded: chain D residue 2358 ILE Chi-restraints excluded: chain D residue 2368 LEU Chi-restraints excluded: chain D residue 2376 LEU Chi-restraints excluded: chain D residue 2377 LEU Chi-restraints excluded: chain D residue 2380 ILE Chi-restraints excluded: chain D residue 2418 LEU Chi-restraints excluded: chain D residue 2432 LEU Chi-restraints excluded: chain D residue 2433 LEU Chi-restraints excluded: chain D residue 2440 MET Chi-restraints excluded: chain D residue 2449 GLU Chi-restraints excluded: chain D residue 2451 LEU Chi-restraints excluded: chain D residue 2454 ARG Chi-restraints excluded: chain D residue 2457 LEU Chi-restraints excluded: chain D residue 2460 LEU Chi-restraints excluded: chain D residue 2463 LEU Chi-restraints excluded: chain D residue 2472 LEU Chi-restraints excluded: chain D residue 2741 GLU Chi-restraints excluded: chain D residue 2756 ASN Chi-restraints excluded: chain D residue 2773 ASN Chi-restraints excluded: chain D residue 2792 ARG Chi-restraints excluded: chain D residue 2809 ILE Chi-restraints excluded: chain D residue 2811 GLU Chi-restraints excluded: chain D residue 2816 MET Chi-restraints excluded: chain D residue 2821 TRP Chi-restraints excluded: chain D residue 2855 TYR Chi-restraints excluded: chain D residue 2856 ASN Chi-restraints excluded: chain D residue 2862 LEU Chi-restraints excluded: chain D residue 2867 LEU Chi-restraints excluded: chain D residue 2868 SER Chi-restraints excluded: chain D residue 2881 ASN Chi-restraints excluded: chain D residue 2888 ARG Chi-restraints excluded: chain D residue 2889 LYS Chi-restraints excluded: chain D residue 2894 LEU Chi-restraints excluded: chain D residue 2905 LEU Chi-restraints excluded: chain D residue 2906 VAL Chi-restraints excluded: chain D residue 2910 THR Chi-restraints excluded: chain D residue 2911 LEU Chi-restraints excluded: chain D residue 2929 PHE Chi-restraints excluded: chain D residue 2935 TYR Chi-restraints excluded: chain D residue 2938 THR Chi-restraints excluded: chain D residue 3644 LEU Chi-restraints excluded: chain D residue 3646 THR Chi-restraints excluded: chain D residue 3651 ASN Chi-restraints excluded: chain D residue 3652 MET Chi-restraints excluded: chain D residue 3661 TRP Chi-restraints excluded: chain D residue 3665 GLU Chi-restraints excluded: chain D residue 3666 ASP Chi-restraints excluded: chain D residue 3669 PHE Chi-restraints excluded: chain D residue 3676 ASP Chi-restraints excluded: chain D residue 3679 LYS Chi-restraints excluded: chain D residue 3697 PRO Chi-restraints excluded: chain D residue 3701 LEU Chi-restraints excluded: chain D residue 3702 VAL Chi-restraints excluded: chain D residue 3708 THR Chi-restraints excluded: chain D residue 3711 THR Chi-restraints excluded: chain D residue 3714 SER Chi-restraints excluded: chain D residue 3718 GLU Chi-restraints excluded: chain D residue 3720 TYR Chi-restraints excluded: chain D residue 3725 TYR Chi-restraints excluded: chain D residue 3727 ASP Chi-restraints excluded: chain D residue 3732 SER Chi-restraints excluded: chain D residue 3750 GLU Chi-restraints excluded: chain D residue 3751 VAL Chi-restraints excluded: chain D residue 3753 PHE Chi-restraints excluded: chain D residue 3759 GLU Chi-restraints excluded: chain D residue 3763 LEU Chi-restraints excluded: chain D residue 3766 GLN Chi-restraints excluded: chain D residue 3773 ARG Chi-restraints excluded: chain D residue 3786 CYS Chi-restraints excluded: chain D residue 3787 LYS Chi-restraints excluded: chain D residue 3790 THR Chi-restraints excluded: chain D residue 3796 SER Chi-restraints excluded: chain D residue 3797 THR Chi-restraints excluded: chain D residue 3798 LEU Chi-restraints excluded: chain D residue 3802 ILE Chi-restraints excluded: chain D residue 3811 GLU Chi-restraints excluded: chain D residue 3816 MET Chi-restraints excluded: chain D residue 3822 ASP Chi-restraints excluded: chain D residue 3828 PHE Chi-restraints excluded: chain D residue 3838 THR Chi-restraints excluded: chain D residue 3841 VAL Chi-restraints excluded: chain D residue 3843 ASP Chi-restraints excluded: chain D residue 3844 LEU Chi-restraints excluded: chain D residue 3881 THR Chi-restraints excluded: chain D residue 3882 GLN Chi-restraints excluded: chain D residue 3883 ASP Chi-restraints excluded: chain D residue 3890 LEU Chi-restraints excluded: chain D residue 3891 LEU Chi-restraints excluded: chain D residue 3895 HIS Chi-restraints excluded: chain D residue 3900 GLN Chi-restraints excluded: chain D residue 3909 ASN Chi-restraints excluded: chain D residue 3913 ILE Chi-restraints excluded: chain D residue 3915 ILE Chi-restraints excluded: chain D residue 3916 ILE Chi-restraints excluded: chain D residue 3917 ILE Chi-restraints excluded: chain D residue 3920 VAL Chi-restraints excluded: chain D residue 3924 LEU Chi-restraints excluded: chain D residue 3927 GLN Chi-restraints excluded: chain D residue 3929 SER Chi-restraints excluded: chain D residue 3931 SER Chi-restraints excluded: chain D residue 3932 ASP Chi-restraints excluded: chain D residue 3937 TYR Chi-restraints excluded: chain D residue 3944 GLU Chi-restraints excluded: chain D residue 3946 GLN Chi-restraints excluded: chain D residue 3953 LYS Chi-restraints excluded: chain D residue 3957 VAL Chi-restraints excluded: chain D residue 3959 LYS Chi-restraints excluded: chain D residue 3961 VAL Chi-restraints excluded: chain D residue 3964 SER Chi-restraints excluded: chain D residue 3970 GLN Chi-restraints excluded: chain D residue 3974 THR Chi-restraints excluded: chain D residue 3979 SER Chi-restraints excluded: chain D residue 3982 HIS Chi-restraints excluded: chain D residue 3985 LEU Chi-restraints excluded: chain D residue 3986 TRP Chi-restraints excluded: chain D residue 3987 ASP Chi-restraints excluded: chain D residue 3990 VAL Chi-restraints excluded: chain D residue 3993 LEU Chi-restraints excluded: chain D residue 3996 PHE Chi-restraints excluded: chain D residue 4020 GLN Chi-restraints excluded: chain D residue 4022 ASP Chi-restraints excluded: chain D residue 4023 MET Chi-restraints excluded: chain D residue 4025 VAL Chi-restraints excluded: chain D residue 4034 ASN Chi-restraints excluded: chain D residue 4035 VAL Chi-restraints excluded: chain D residue 4036 VAL Chi-restraints excluded: chain D residue 4044 MET Chi-restraints excluded: chain D residue 4045 VAL Chi-restraints excluded: chain D residue 4046 ASP Chi-restraints excluded: chain D residue 4049 VAL Chi-restraints excluded: chain D residue 4055 VAL Chi-restraints excluded: chain D residue 4059 LEU Chi-restraints excluded: chain D residue 4066 LEU Chi-restraints excluded: chain D residue 4070 ASP Chi-restraints excluded: chain D residue 4088 ILE Chi-restraints excluded: chain D residue 4090 LYS Chi-restraints excluded: chain D residue 4095 LYS Chi-restraints excluded: chain D residue 4102 GLN Chi-restraints excluded: chain D residue 4109 GLN Chi-restraints excluded: chain D residue 4121 GLU Chi-restraints excluded: chain D residue 4128 PHE Chi-restraints excluded: chain D residue 4133 GLN Chi-restraints excluded: chain D residue 4139 ILE Chi-restraints excluded: chain D residue 4142 ASN Chi-restraints excluded: chain D residue 4143 VAL Chi-restraints excluded: chain D residue 4150 LEU Chi-restraints excluded: chain D residue 4151 SER Chi-restraints excluded: chain D residue 4157 ASP Chi-restraints excluded: chain D residue 4159 ARG Chi-restraints excluded: chain D residue 4160 LEU Chi-restraints excluded: chain D residue 4162 ASN Chi-restraints excluded: chain D residue 4164 LEU Chi-restraints excluded: chain D residue 4166 LEU Chi-restraints excluded: chain D residue 4178 LEU Chi-restraints excluded: chain D residue 4181 ILE Chi-restraints excluded: chain D residue 4190 ILE Chi-restraints excluded: chain D residue 4192 ARG Chi-restraints excluded: chain D residue 4195 PHE Chi-restraints excluded: chain D residue 4200 THR Chi-restraints excluded: chain D residue 4205 TRP Chi-restraints excluded: chain D residue 4212 GLU Chi-restraints excluded: chain D residue 4231 MET Chi-restraints excluded: chain D residue 4237 PHE Chi-restraints excluded: chain D residue 4238 CYS Chi-restraints excluded: chain D residue 4244 GLU Chi-restraints excluded: chain D residue 4250 GLN Chi-restraints excluded: chain D residue 4251 ILE Chi-restraints excluded: chain D residue 4252 SER Chi-restraints excluded: chain D residue 4546 VAL Chi-restraints excluded: chain D residue 4547 GLN Chi-restraints excluded: chain D residue 4549 VAL Chi-restraints excluded: chain D residue 4552 LEU Chi-restraints excluded: chain D residue 4558 ASN Chi-restraints excluded: chain D residue 4559 PHE Chi-restraints excluded: chain D residue 4565 LEU Chi-restraints excluded: chain D residue 4573 ILE Chi-restraints excluded: chain D residue 4630 TYR Chi-restraints excluded: chain D residue 4631 PHE Chi-restraints excluded: chain D residue 4632 LEU Chi-restraints excluded: chain D residue 4635 SER Chi-restraints excluded: chain D residue 4638 TYR Chi-restraints excluded: chain D residue 4643 LEU Chi-restraints excluded: chain D residue 4646 LEU Chi-restraints excluded: chain D residue 4649 LEU Chi-restraints excluded: chain D residue 4651 THR Chi-restraints excluded: chain D residue 4652 LEU Chi-restraints excluded: chain D residue 4656 LEU Chi-restraints excluded: chain D residue 4657 CYS Chi-restraints excluded: chain D residue 4663 CYS Chi-restraints excluded: chain D residue 4666 VAL Chi-restraints excluded: chain D residue 4668 LEU Chi-restraints excluded: chain D residue 4671 PHE Chi-restraints excluded: chain D residue 4674 GLU Chi-restraints excluded: chain D residue 4676 GLU Chi-restraints excluded: chain D residue 4677 LEU Chi-restraints excluded: chain D residue 4684 ASP Chi-restraints excluded: chain D residue 4686 LEU Chi-restraints excluded: chain D residue 4688 ILE Chi-restraints excluded: chain D residue 4691 GLN Chi-restraints excluded: chain D residue 4701 TRP Chi-restraints excluded: chain D residue 4723 LYS Chi-restraints excluded: chain D residue 4727 LYS Chi-restraints excluded: chain D residue 4731 ILE Chi-restraints excluded: chain D residue 4739 GLU Chi-restraints excluded: chain D residue 4743 MET Chi-restraints excluded: chain D residue 4747 SER Chi-restraints excluded: chain D residue 4770 SER Chi-restraints excluded: chain D residue 4771 ILE Chi-restraints excluded: chain D residue 4774 LYS Chi-restraints excluded: chain D residue 4777 ILE Chi-restraints excluded: chain D residue 4780 PHE Chi-restraints excluded: chain D residue 4783 ILE Chi-restraints excluded: chain D residue 4786 ASP Chi-restraints excluded: chain D residue 4794 TRP Chi-restraints excluded: chain D residue 4797 VAL Chi-restraints excluded: chain D residue 4798 MET Chi-restraints excluded: chain D residue 4808 PHE Chi-restraints excluded: chain D residue 4814 LEU Chi-restraints excluded: chain D residue 4816 ILE Chi-restraints excluded: chain D residue 4818 MET Chi-restraints excluded: chain D residue 4822 THR Chi-restraints excluded: chain D residue 4827 LEU Chi-restraints excluded: chain D residue 4830 VAL Chi-restraints excluded: chain D residue 4836 GLN Chi-restraints excluded: chain D residue 4838 VAL Chi-restraints excluded: chain D residue 4844 LEU Chi-restraints excluded: chain D residue 4849 TYR Chi-restraints excluded: chain D residue 4854 VAL Chi-restraints excluded: chain D residue 4864 ASN Chi-restraints excluded: chain D residue 4867 GLU Chi-restraints excluded: chain D residue 4877 ASP Chi-restraints excluded: chain D residue 4901 ILE Chi-restraints excluded: chain D residue 4904 PRO Chi-restraints excluded: chain D residue 4913 ARG Chi-restraints excluded: chain D residue 4915 VAL Chi-restraints excluded: chain D residue 4918 ILE Chi-restraints excluded: chain D residue 4919 THR Chi-restraints excluded: chain D residue 4920 PHE Chi-restraints excluded: chain D residue 4921 PHE Chi-restraints excluded: chain D residue 4922 PHE Chi-restraints excluded: chain D residue 4945 ASP Chi-restraints excluded: chain D residue 4950 VAL Chi-restraints excluded: chain D residue 4954 MET Chi-restraints excluded: chain D residue 4960 ILE Chi-restraints excluded: chain D residue 4976 GLU Chi-restraints excluded: chain D residue 4983 HIS Chi-restraints excluded: chain D residue 4985 LEU Chi-restraints excluded: chain D residue 4990 PHE Chi-restraints excluded: chain D residue 4994 TYR Chi-restraints excluded: chain D residue 4995 LEU Chi-restraints excluded: chain D residue 4996 ILE Chi-restraints excluded: chain D residue 5008 SER Chi-restraints excluded: chain D residue 5010 VAL Chi-restraints excluded: chain D residue 5013 MET Chi-restraints excluded: chain D residue 5016 GLU Chi-restraints excluded: chain D residue 5020 ASP Chi-restraints excluded: chain D residue 5027 CYS Rotamers are restrained with sigma=2.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 0 random chunks: chunk None optimal weight: 9.9990 overall best weight: 50.0000 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** A 308 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 350 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 379 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 394 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 460 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 461 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 479 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 582 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 610 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 618 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 725 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 735 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 772 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 949 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A1052 ASN ** A1130 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1158 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1165 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1760 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1837 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2161 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2184 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2253 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2744 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2763 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2858 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2872 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2877 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2931 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3643 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3809 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3927 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3977 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4078 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4102 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4650 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4700 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4973 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 23 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 218 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 308 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 379 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 394 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 461 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 479 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 582 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 610 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 618 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 725 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 735 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 949 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B1052 ASN ** B1130 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1158 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1165 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1760 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1837 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2161 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2184 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2253 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2268 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2744 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2763 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2858 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2877 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3643 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3809 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3927 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3970 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4078 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4100 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4102 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4204 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4209 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4650 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4700 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B4714 ASN ** B4973 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4987 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 308 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 379 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 394 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 460 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 461 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 479 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 582 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 610 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 618 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 725 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 735 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 772 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 949 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C1052 ASN ** C1130 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1158 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1165 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1640 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1760 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1837 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2161 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2184 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2253 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2744 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2763 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2858 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2872 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2877 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3643 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3809 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3927 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4078 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4102 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4650 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4700 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4973 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4987 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 308 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 379 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 394 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 461 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 479 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 582 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 610 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 618 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 725 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 735 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 949 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D1052 ASN ** D1130 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1158 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1165 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1760 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1837 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2161 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D2173 GLN ** D2184 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2253 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2744 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2763 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2858 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2872 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2877 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3643 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3809 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3927 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3970 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4078 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4102 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4650 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4700 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4714 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4973 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 6 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8293 moved from start: 1.5576 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.029 0.277 119724 Z= 1.892 Angle : 2.544 33.171 163324 Z= 1.301 Chirality : 0.101 0.629 19116 Planarity : 0.018 0.235 21488 Dihedral : 14.473 146.421 17724 Min Nonbonded Distance : 1.674 Molprobity Statistics. All-atom Clashscore : 152.14 Ramachandran Plot: Outliers : 1.40 % Allowed : 43.45 % Favored : 55.15 % Rotamer: Outliers : 29.76 % Allowed : 27.98 % Favored : 42.27 % Cbeta Deviations : 0.22 % Peptide Plane: Cis-proline : 0.64 % Cis-general : 0.00 % Twisted Proline : 9.08 % Twisted General : 4.48 % 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: -7.21 (0.05), residues: 12924 helix: -4.66 (0.04), residues: 5220 sheet: -4.24 (0.15), residues: 740 loop : -5.15 (0.05), residues: 6964 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.085 0.009 TRP C1132 HIS 0.037 0.008 HIS D1696 PHE 0.101 0.009 PHE A2340 TYR 0.083 0.009 TYR B4849 ARG 0.044 0.003 ARG A1661 *********************** REFINEMENT MACRO_CYCLE 7 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 25848 Ramachandran restraints generated. 12924 Oldfield, 0 Emsley, 12924 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 25848 Ramachandran restraints generated. 12924 Oldfield, 0 Emsley, 12924 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3434 residues out of total 11344 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2966 poor density : 468 time to evaluate : 8.958 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 12 GLN cc_start: 0.7912 (OUTLIER) cc_final: 0.7435 (mm110) REVERT: A 15 ARG cc_start: 0.8080 (OUTLIER) cc_final: 0.7553 (mtm-85) REVERT: A 67 PHE cc_start: 0.9221 (OUTLIER) cc_final: 0.8732 (m-10) REVERT: A 121 LEU cc_start: 0.8579 (OUTLIER) cc_final: 0.7891 (mm) REVERT: A 152 PRO cc_start: 0.9484 (OUTLIER) cc_final: 0.9196 (Cg_exo) REVERT: A 189 LEU cc_start: 0.9328 (OUTLIER) cc_final: 0.8850 (mt) REVERT: A 247 TYR cc_start: 0.8772 (OUTLIER) cc_final: 0.8418 (m-80) REVERT: A 263 GLU cc_start: 0.8972 (OUTLIER) cc_final: 0.8639 (pt0) REVERT: A 283 ARG cc_start: 0.9149 (OUTLIER) cc_final: 0.8777 (ttt-90) REVERT: A 394 GLN cc_start: 0.6925 (OUTLIER) cc_final: 0.6465 (mp10) REVERT: A 396 GLU cc_start: 0.9303 (OUTLIER) cc_final: 0.8679 (pp20) REVERT: A 497 TYR cc_start: 0.8999 (OUTLIER) cc_final: 0.8466 (m-80) REVERT: A 510 GLU cc_start: 0.9297 (OUTLIER) cc_final: 0.8696 (pm20) REVERT: A 580 GLU cc_start: 0.9032 (OUTLIER) cc_final: 0.8652 (tm-30) REVERT: A 663 TYR cc_start: 0.6970 (OUTLIER) cc_final: 0.5970 (t80) REVERT: A 690 GLU cc_start: 0.4602 (OUTLIER) cc_final: 0.4336 (mp0) REVERT: A 714 TYR cc_start: 0.8352 (OUTLIER) cc_final: 0.7464 (m-80) REVERT: A 735 GLN cc_start: 0.8596 (OUTLIER) cc_final: 0.8023 (tp40) REVERT: A 960 MET cc_start: 0.7490 (OUTLIER) cc_final: 0.7234 (tmm) REVERT: A 961 MET cc_start: 0.4690 (OUTLIER) cc_final: 0.2747 (ptp) REVERT: A 1039 LEU cc_start: 0.6590 (OUTLIER) cc_final: 0.6366 (tp) REVERT: A 1076 ARG cc_start: 0.9193 (OUTLIER) cc_final: 0.7924 (ptt90) REVERT: A 1087 ARG cc_start: 0.9132 (OUTLIER) cc_final: 0.8553 (mtt90) REVERT: A 1093 GLU cc_start: 0.8549 (OUTLIER) cc_final: 0.8031 (tm-30) REVERT: A 1100 MET cc_start: 0.8134 (pmm) cc_final: 0.7861 (pmm) REVERT: A 1254 HIS cc_start: 0.8792 (OUTLIER) cc_final: 0.8316 (m-70) REVERT: A 1260 MET cc_start: 0.8321 (ppp) cc_final: 0.7629 (ppp) REVERT: A 1590 GLN cc_start: 0.9192 (OUTLIER) cc_final: 0.8270 (tp40) REVERT: A 1605 TRP cc_start: 0.8887 (OUTLIER) cc_final: 0.8191 (m-10) REVERT: A 1648 MET cc_start: 0.9195 (OUTLIER) cc_final: 0.8618 (ttm) REVERT: A 1652 GLU cc_start: 0.9135 (OUTLIER) cc_final: 0.8273 (pp20) REVERT: A 1721 GLU cc_start: 0.8897 (OUTLIER) cc_final: 0.8485 (tm-30) REVERT: A 1760 HIS cc_start: 0.6479 (OUTLIER) cc_final: 0.6264 (m170) REVERT: A 1772 ARG cc_start: 0.8700 (OUTLIER) cc_final: 0.8027 (mmt180) REVERT: A 1842 LEU cc_start: 0.9151 (OUTLIER) cc_final: 0.8729 (pp) REVERT: A 1861 GLN cc_start: 0.8956 (OUTLIER) cc_final: 0.8724 (tm-30) REVERT: A 1928 GLN cc_start: 0.9447 (OUTLIER) cc_final: 0.8900 (mp10) REVERT: A 1929 MET cc_start: 0.8423 (mpt) cc_final: 0.7851 (mpt) REVERT: A 2104 ARG cc_start: 0.9287 (OUTLIER) cc_final: 0.8883 (ptt-90) REVERT: A 2118 ARG cc_start: 0.9227 (OUTLIER) cc_final: 0.8831 (ttp80) REVERT: A 2120 MET cc_start: 0.8954 (OUTLIER) cc_final: 0.8588 (ppp) REVERT: A 2178 MET cc_start: 0.9105 (ppp) cc_final: 0.8747 (ppp) REVERT: A 2186 MET cc_start: 0.9400 (OUTLIER) cc_final: 0.8939 (mmm) REVERT: A 2204 HIS cc_start: 0.9655 (OUTLIER) cc_final: 0.9394 (p-80) REVERT: A 2228 MET cc_start: 0.9051 (OUTLIER) cc_final: 0.8800 (mmm) REVERT: A 2330 ARG cc_start: 0.8254 (OUTLIER) cc_final: 0.7859 (ttt180) REVERT: A 2472 LEU cc_start: 0.8485 (OUTLIER) cc_final: 0.7852 (mt) REVERT: A 2827 ARG cc_start: 0.7766 (OUTLIER) cc_final: 0.6559 (mtt90) REVERT: A 2935 TYR cc_start: 0.6197 (OUTLIER) cc_final: 0.5449 (m-80) REVERT: A 3697 PRO cc_start: 0.9330 (OUTLIER) cc_final: 0.9041 (Cg_endo) REVERT: A 3718 GLU cc_start: 0.9463 (OUTLIER) cc_final: 0.9098 (mm-30) REVERT: A 3725 TYR cc_start: 0.9552 (OUTLIER) cc_final: 0.8964 (t80) REVERT: A 3729 MET cc_start: 0.8462 (ppp) cc_final: 0.8227 (ppp) REVERT: A 3753 PHE cc_start: 0.8426 (OUTLIER) cc_final: 0.7956 (t80) REVERT: A 3875 MET cc_start: 0.8740 (tpt) cc_final: 0.8332 (tpt) REVERT: A 3890 LEU cc_start: 0.9291 (OUTLIER) cc_final: 0.9080 (tp) REVERT: A 3937 TYR cc_start: 0.8279 (OUTLIER) cc_final: 0.7938 (m-10) REVERT: A 3986 TRP cc_start: 0.9191 (OUTLIER) cc_final: 0.8281 (m100) REVERT: A 4088 ILE cc_start: 0.6699 (OUTLIER) cc_final: 0.6485 (tt) REVERT: A 4205 TRP cc_start: 0.8946 (OUTLIER) cc_final: 0.8685 (t-100) REVERT: A 4212 GLU cc_start: 0.9386 (OUTLIER) cc_final: 0.8987 (pp20) REVERT: A 4639 MET cc_start: 0.1528 (ptt) cc_final: 0.0218 (mtt) REVERT: A 4643 LEU cc_start: 0.8476 (OUTLIER) cc_final: 0.8210 (mt) REVERT: A 4674 GLU cc_start: 0.9537 (OUTLIER) cc_final: 0.9225 (tp30) REVERT: A 4780 PHE cc_start: 0.9247 (OUTLIER) cc_final: 0.8870 (m-80) REVERT: A 4807 PHE cc_start: 0.7109 (OUTLIER) cc_final: 0.6441 (p90) REVERT: A 4818 MET cc_start: 0.7864 (OUTLIER) cc_final: 0.7322 (tpt) REVERT: A 4849 TYR cc_start: 0.8882 (OUTLIER) cc_final: 0.8280 (t80) REVERT: A 4901 ILE cc_start: 0.6403 (OUTLIER) cc_final: 0.6100 (tp) REVERT: A 4913 ARG cc_start: 0.8092 (OUTLIER) cc_final: 0.7793 (ttm170) REVERT: A 4989 MET cc_start: 0.9225 (mmp) cc_final: 0.9018 (mmp) REVERT: A 5014 TYR cc_start: 0.9495 (OUTLIER) cc_final: 0.9253 (t80) REVERT: B 12 GLN cc_start: 0.7883 (OUTLIER) cc_final: 0.7407 (mm110) REVERT: B 15 ARG cc_start: 0.8113 (OUTLIER) cc_final: 0.7586 (mtm-85) REVERT: B 67 PHE cc_start: 0.9230 (OUTLIER) cc_final: 0.8743 (m-10) REVERT: B 121 LEU cc_start: 0.8571 (OUTLIER) cc_final: 0.7881 (mm) REVERT: B 152 PRO cc_start: 0.9423 (OUTLIER) cc_final: 0.9167 (Cg_exo) REVERT: B 189 LEU cc_start: 0.9327 (OUTLIER) cc_final: 0.8846 (mt) REVERT: B 247 TYR cc_start: 0.8752 (OUTLIER) cc_final: 0.8399 (m-80) REVERT: B 283 ARG cc_start: 0.9193 (OUTLIER) cc_final: 0.8844 (ttt-90) REVERT: B 497 TYR cc_start: 0.9024 (OUTLIER) cc_final: 0.8435 (m-80) REVERT: B 510 GLU cc_start: 0.9294 (OUTLIER) cc_final: 0.8695 (pm20) REVERT: B 580 GLU cc_start: 0.9025 (OUTLIER) cc_final: 0.8644 (tm-30) REVERT: B 663 TYR cc_start: 0.6949 (OUTLIER) cc_final: 0.5961 (t80) REVERT: B 690 GLU cc_start: 0.4604 (OUTLIER) cc_final: 0.4333 (mp0) REVERT: B 714 TYR cc_start: 0.8348 (OUTLIER) cc_final: 0.7443 (m-80) REVERT: B 735 GLN cc_start: 0.8559 (OUTLIER) cc_final: 0.7869 (tp40) REVERT: B 960 MET cc_start: 0.7484 (OUTLIER) cc_final: 0.7248 (tmm) REVERT: B 961 MET cc_start: 0.4697 (OUTLIER) cc_final: 0.2871 (ptp) REVERT: B 1039 LEU cc_start: 0.6628 (OUTLIER) cc_final: 0.6410 (tp) REVERT: B 1093 GLU cc_start: 0.8495 (OUTLIER) cc_final: 0.7971 (tm-30) REVERT: B 1100 MET cc_start: 0.8130 (pmm) cc_final: 0.7690 (pmm) REVERT: B 1254 HIS cc_start: 0.8791 (OUTLIER) cc_final: 0.8315 (m-70) REVERT: B 1260 MET cc_start: 0.8333 (ppp) cc_final: 0.7649 (ppp) REVERT: B 1590 GLN cc_start: 0.9167 (OUTLIER) cc_final: 0.8235 (tp40) REVERT: B 1595 LEU cc_start: 0.9337 (OUTLIER) cc_final: 0.9105 (mp) REVERT: B 1605 TRP cc_start: 0.8856 (OUTLIER) cc_final: 0.8599 (m-10) REVERT: B 1648 MET cc_start: 0.9201 (OUTLIER) cc_final: 0.8648 (ttm) REVERT: B 1652 GLU cc_start: 0.9134 (OUTLIER) cc_final: 0.8287 (pp20) REVERT: B 1721 GLU cc_start: 0.8903 (OUTLIER) cc_final: 0.8487 (tm-30) REVERT: B 1760 HIS cc_start: 0.6531 (OUTLIER) cc_final: 0.6310 (m170) REVERT: B 1772 ARG cc_start: 0.8697 (OUTLIER) cc_final: 0.8015 (mmt180) REVERT: B 1810 LYS cc_start: 0.9530 (OUTLIER) cc_final: 0.9261 (tptm) REVERT: B 1813 ARG cc_start: 0.9089 (OUTLIER) cc_final: 0.8646 (ptm-80) REVERT: B 1842 LEU cc_start: 0.9148 (OUTLIER) cc_final: 0.8758 (pp) REVERT: B 1861 GLN cc_start: 0.8959 (OUTLIER) cc_final: 0.8734 (tm-30) REVERT: B 1928 GLN cc_start: 0.9450 (OUTLIER) cc_final: 0.8904 (mp10) REVERT: B 1929 MET cc_start: 0.8426 (mpt) cc_final: 0.7847 (mpt) REVERT: B 2104 ARG cc_start: 0.9287 (OUTLIER) cc_final: 0.8883 (ptt-90) REVERT: B 2118 ARG cc_start: 0.9230 (OUTLIER) cc_final: 0.8833 (ttp80) REVERT: B 2120 MET cc_start: 0.8970 (OUTLIER) cc_final: 0.8579 (ppp) REVERT: B 2186 MET cc_start: 0.9387 (OUTLIER) cc_final: 0.9018 (mmm) REVERT: B 2228 MET cc_start: 0.9035 (OUTLIER) cc_final: 0.8765 (mmm) REVERT: B 2330 ARG cc_start: 0.8251 (OUTLIER) cc_final: 0.7826 (ttt180) REVERT: B 2472 LEU cc_start: 0.8495 (OUTLIER) cc_final: 0.7863 (mt) REVERT: B 2790 MET cc_start: 0.1512 (tmm) cc_final: 0.1186 (tpt) REVERT: B 2827 ARG cc_start: 0.7834 (OUTLIER) cc_final: 0.6647 (mtt90) REVERT: B 2935 TYR cc_start: 0.6225 (OUTLIER) cc_final: 0.5477 (m-80) REVERT: B 3697 PRO cc_start: 0.9328 (OUTLIER) cc_final: 0.9039 (Cg_endo) REVERT: B 3718 GLU cc_start: 0.9420 (OUTLIER) cc_final: 0.9083 (mm-30) REVERT: B 3725 TYR cc_start: 0.9553 (OUTLIER) cc_final: 0.8970 (t80) REVERT: B 3729 MET cc_start: 0.8462 (ppp) cc_final: 0.8226 (ppp) REVERT: B 3753 PHE cc_start: 0.8943 (OUTLIER) cc_final: 0.8553 (t80) REVERT: B 3875 MET cc_start: 0.8782 (tpt) cc_final: 0.8272 (tpt) REVERT: B 3890 LEU cc_start: 0.9284 (OUTLIER) cc_final: 0.9069 (tp) REVERT: B 3937 TYR cc_start: 0.8286 (OUTLIER) cc_final: 0.7941 (m-10) REVERT: B 3970 GLN cc_start: 0.8774 (OUTLIER) cc_final: 0.8376 (tm-30) REVERT: B 3986 TRP cc_start: 0.9198 (OUTLIER) cc_final: 0.8285 (m100) REVERT: B 4180 ARG cc_start: 0.6700 (OUTLIER) cc_final: 0.6448 (mtp-110) REVERT: B 4195 PHE cc_start: 0.9255 (OUTLIER) cc_final: 0.8846 (p90) REVERT: B 4205 TRP cc_start: 0.8965 (OUTLIER) cc_final: 0.8579 (t-100) REVERT: B 4212 GLU cc_start: 0.9388 (OUTLIER) cc_final: 0.9054 (pp20) REVERT: B 4245 MET cc_start: 0.9335 (OUTLIER) cc_final: 0.9033 (mmt) REVERT: B 4639 MET cc_start: 0.1520 (ptt) cc_final: 0.0224 (mtt) REVERT: B 4643 LEU cc_start: 0.8452 (OUTLIER) cc_final: 0.8206 (mt) REVERT: B 4674 GLU cc_start: 0.9507 (OUTLIER) cc_final: 0.9215 (tp30) REVERT: B 4780 PHE cc_start: 0.9254 (OUTLIER) cc_final: 0.8930 (m-80) REVERT: B 4807 PHE cc_start: 0.7106 (OUTLIER) cc_final: 0.6447 (p90) REVERT: B 4818 MET cc_start: 0.7863 (OUTLIER) cc_final: 0.7318 (tpt) REVERT: B 4849 TYR cc_start: 0.8897 (OUTLIER) cc_final: 0.8304 (t80) REVERT: B 4901 ILE cc_start: 0.6400 (OUTLIER) cc_final: 0.6069 (tp) REVERT: B 4913 ARG cc_start: 0.8085 (OUTLIER) cc_final: 0.7787 (ttm170) REVERT: B 4954 MET cc_start: 0.7169 (OUTLIER) cc_final: 0.6615 (mtp) REVERT: C 15 ARG cc_start: 0.8424 (OUTLIER) cc_final: 0.7902 (mtm-85) REVERT: C 67 PHE cc_start: 0.9228 (OUTLIER) cc_final: 0.8746 (m-10) REVERT: C 71 GLN cc_start: 0.9001 (OUTLIER) cc_final: 0.8576 (pm20) REVERT: C 121 LEU cc_start: 0.8578 (OUTLIER) cc_final: 0.7891 (mm) REVERT: C 152 PRO cc_start: 0.9445 (OUTLIER) cc_final: 0.9198 (Cg_exo) REVERT: C 189 LEU cc_start: 0.9291 (OUTLIER) cc_final: 0.8791 (mt) REVERT: C 247 TYR cc_start: 0.8754 (OUTLIER) cc_final: 0.8399 (m-80) REVERT: C 283 ARG cc_start: 0.9190 (OUTLIER) cc_final: 0.8833 (ttt-90) REVERT: C 396 GLU cc_start: 0.9301 (OUTLIER) cc_final: 0.8674 (pp20) REVERT: C 497 TYR cc_start: 0.8994 (OUTLIER) cc_final: 0.8458 (m-80) REVERT: C 510 GLU cc_start: 0.9297 (OUTLIER) cc_final: 0.8695 (pm20) REVERT: C 580 GLU cc_start: 0.9021 (OUTLIER) cc_final: 0.8636 (tm-30) REVERT: C 663 TYR cc_start: 0.6951 (OUTLIER) cc_final: 0.5962 (t80) REVERT: C 690 GLU cc_start: 0.4600 (OUTLIER) cc_final: 0.4330 (mp0) REVERT: C 714 TYR cc_start: 0.8370 (OUTLIER) cc_final: 0.7481 (m-80) REVERT: C 735 GLN cc_start: 0.8550 (OUTLIER) cc_final: 0.7872 (tp40) REVERT: C 960 MET cc_start: 0.7491 (OUTLIER) cc_final: 0.7261 (tmm) REVERT: C 961 MET cc_start: 0.4707 (OUTLIER) cc_final: 0.2878 (ptp) REVERT: C 1039 LEU cc_start: 0.6581 (OUTLIER) cc_final: 0.6358 (tp) REVERT: C 1093 GLU cc_start: 0.8500 (OUTLIER) cc_final: 0.7975 (tm-30) REVERT: C 1100 MET cc_start: 0.8131 (pmm) cc_final: 0.7692 (pmm) REVERT: C 1254 HIS cc_start: 0.8782 (OUTLIER) cc_final: 0.8291 (m-70) REVERT: C 1260 MET cc_start: 0.8326 (ppp) cc_final: 0.7639 (ppp) REVERT: C 1590 GLN cc_start: 0.9132 (OUTLIER) cc_final: 0.8247 (tp40) REVERT: C 1595 LEU cc_start: 0.9316 (OUTLIER) cc_final: 0.9079 (mp) REVERT: C 1605 TRP cc_start: 0.8854 (OUTLIER) cc_final: 0.8592 (m-10) REVERT: C 1648 MET cc_start: 0.9201 (OUTLIER) cc_final: 0.8641 (ttm) REVERT: C 1652 GLU cc_start: 0.9141 (OUTLIER) cc_final: 0.8294 (pp20) REVERT: C 1721 GLU cc_start: 0.8888 (OUTLIER) cc_final: 0.8459 (tm-30) REVERT: C 1760 HIS cc_start: 0.6418 (OUTLIER) cc_final: 0.6217 (m170) REVERT: C 1772 ARG cc_start: 0.8743 (OUTLIER) cc_final: 0.8080 (mmt180) REVERT: C 1810 LYS cc_start: 0.9529 (OUTLIER) cc_final: 0.9269 (tptm) REVERT: C 1813 ARG cc_start: 0.9092 (OUTLIER) cc_final: 0.8647 (ptm-80) REVERT: C 1842 LEU cc_start: 0.9138 (OUTLIER) cc_final: 0.8726 (pp) REVERT: C 1861 GLN cc_start: 0.8985 (OUTLIER) cc_final: 0.8682 (tm-30) REVERT: C 1928 GLN cc_start: 0.9449 (OUTLIER) cc_final: 0.8906 (mp10) REVERT: C 1929 MET cc_start: 0.8464 (mpt) cc_final: 0.7900 (mpt) REVERT: C 2104 ARG cc_start: 0.9294 (OUTLIER) cc_final: 0.8890 (ptt-90) REVERT: C 2118 ARG cc_start: 0.9231 (OUTLIER) cc_final: 0.8833 (ttp80) REVERT: C 2120 MET cc_start: 0.8946 (OUTLIER) cc_final: 0.8545 (ppp) REVERT: C 2178 MET cc_start: 0.9102 (ppp) cc_final: 0.8756 (ppp) REVERT: C 2186 MET cc_start: 0.9401 (OUTLIER) cc_final: 0.8943 (mmm) REVERT: C 2204 HIS cc_start: 0.9656 (OUTLIER) cc_final: 0.9394 (p-80) REVERT: C 2228 MET cc_start: 0.9053 (OUTLIER) cc_final: 0.8804 (mmm) REVERT: C 2330 ARG cc_start: 0.8243 (OUTLIER) cc_final: 0.7812 (ttt180) REVERT: C 2472 LEU cc_start: 0.8492 (OUTLIER) cc_final: 0.7862 (mt) REVERT: C 2790 MET cc_start: 0.1517 (tmm) cc_final: 0.1182 (tpt) REVERT: C 2811 GLU cc_start: 0.8855 (OUTLIER) cc_final: 0.8591 (pm20) REVERT: C 2827 ARG cc_start: 0.7816 (OUTLIER) cc_final: 0.6621 (mtt90) REVERT: C 2935 TYR cc_start: 0.6217 (OUTLIER) cc_final: 0.5470 (m-80) REVERT: C 3697 PRO cc_start: 0.9334 (OUTLIER) cc_final: 0.9051 (Cg_endo) REVERT: C 3725 TYR cc_start: 0.9555 (OUTLIER) cc_final: 0.8984 (t80) REVERT: C 3729 MET cc_start: 0.8461 (ppp) cc_final: 0.8191 (ppp) REVERT: C 3753 PHE cc_start: 0.8468 (OUTLIER) cc_final: 0.7930 (t80) REVERT: C 3875 MET cc_start: 0.8742 (tpt) cc_final: 0.8334 (tpt) REVERT: C 3890 LEU cc_start: 0.9289 (OUTLIER) cc_final: 0.9076 (tp) REVERT: C 3937 TYR cc_start: 0.8278 (OUTLIER) cc_final: 0.7937 (m-10) REVERT: C 3986 TRP cc_start: 0.9196 (OUTLIER) cc_final: 0.8280 (m100) REVERT: C 4088 ILE cc_start: 0.6800 (OUTLIER) cc_final: 0.6592 (tt) REVERT: C 4180 ARG cc_start: 0.6738 (OUTLIER) cc_final: 0.6268 (mtp-110) REVERT: C 4195 PHE cc_start: 0.9204 (OUTLIER) cc_final: 0.8721 (p90) REVERT: C 4205 TRP cc_start: 0.8958 (OUTLIER) cc_final: 0.8630 (t-100) REVERT: C 4212 GLU cc_start: 0.9380 (OUTLIER) cc_final: 0.8980 (pp20) REVERT: C 4639 MET cc_start: 0.1531 (ptt) cc_final: 0.0234 (mtt) REVERT: C 4643 LEU cc_start: 0.8480 (OUTLIER) cc_final: 0.8211 (mt) REVERT: C 4674 GLU cc_start: 0.9534 (OUTLIER) cc_final: 0.9219 (tp30) REVERT: C 4780 PHE cc_start: 0.9256 (OUTLIER) cc_final: 0.8934 (m-80) REVERT: C 4807 PHE cc_start: 0.7118 (OUTLIER) cc_final: 0.6412 (p90) REVERT: C 4818 MET cc_start: 0.7869 (OUTLIER) cc_final: 0.7332 (tpt) REVERT: C 4849 TYR cc_start: 0.8898 (OUTLIER) cc_final: 0.8315 (t80) REVERT: C 4901 ILE cc_start: 0.6272 (OUTLIER) cc_final: 0.5918 (tp) REVERT: C 4913 ARG cc_start: 0.8079 (OUTLIER) cc_final: 0.7777 (ttm170) REVERT: C 5014 TYR cc_start: 0.9489 (OUTLIER) cc_final: 0.9252 (t80) REVERT: D 12 GLN cc_start: 0.7884 (OUTLIER) cc_final: 0.7407 (mm110) REVERT: D 15 ARG cc_start: 0.8115 (OUTLIER) cc_final: 0.7590 (mtm-85) REVERT: D 67 PHE cc_start: 0.9218 (OUTLIER) cc_final: 0.8724 (m-10) REVERT: D 71 GLN cc_start: 0.8996 (OUTLIER) cc_final: 0.8557 (pm20) REVERT: D 121 LEU cc_start: 0.8585 (OUTLIER) cc_final: 0.7878 (mm) REVERT: D 152 PRO cc_start: 0.9478 (OUTLIER) cc_final: 0.9188 (Cg_exo) REVERT: D 189 LEU cc_start: 0.9329 (OUTLIER) cc_final: 0.8848 (mt) REVERT: D 247 TYR cc_start: 0.8751 (OUTLIER) cc_final: 0.8405 (m-80) REVERT: D 283 ARG cc_start: 0.9177 (OUTLIER) cc_final: 0.8820 (ttt-90) REVERT: D 396 GLU cc_start: 0.9304 (OUTLIER) cc_final: 0.8674 (pp20) REVERT: D 475 GLN cc_start: 0.9242 (OUTLIER) cc_final: 0.8460 (pp30) REVERT: D 497 TYR cc_start: 0.9021 (OUTLIER) cc_final: 0.8442 (m-80) REVERT: D 510 GLU cc_start: 0.9294 (OUTLIER) cc_final: 0.8706 (pm20) REVERT: D 580 GLU cc_start: 0.9030 (OUTLIER) cc_final: 0.8649 (tm-30) REVERT: D 663 TYR cc_start: 0.6960 (OUTLIER) cc_final: 0.6045 (t80) REVERT: D 690 GLU cc_start: 0.4608 (OUTLIER) cc_final: 0.4339 (mp0) REVERT: D 714 TYR cc_start: 0.8348 (OUTLIER) cc_final: 0.7449 (m-80) REVERT: D 735 GLN cc_start: 0.8595 (OUTLIER) cc_final: 0.8024 (tp40) REVERT: D 960 MET cc_start: 0.7488 (OUTLIER) cc_final: 0.7257 (tmm) REVERT: D 961 MET cc_start: 0.4709 (OUTLIER) cc_final: 0.2881 (ptp) REVERT: D 1039 LEU cc_start: 0.6639 (OUTLIER) cc_final: 0.6420 (tp) REVERT: D 1076 ARG cc_start: 0.9191 (OUTLIER) cc_final: 0.7922 (ptt90) REVERT: D 1087 ARG cc_start: 0.9132 (OUTLIER) cc_final: 0.8551 (mtt90) REVERT: D 1093 GLU cc_start: 0.8494 (OUTLIER) cc_final: 0.7967 (tm-30) REVERT: D 1100 MET cc_start: 0.8135 (pmm) cc_final: 0.7723 (pmm) REVERT: D 1254 HIS cc_start: 0.8793 (OUTLIER) cc_final: 0.8316 (m-70) REVERT: D 1260 MET cc_start: 0.8300 (ppp) cc_final: 0.7593 (ppp) REVERT: D 1590 GLN cc_start: 0.9169 (OUTLIER) cc_final: 0.8237 (tp40) REVERT: D 1595 LEU cc_start: 0.9340 (OUTLIER) cc_final: 0.9108 (mp) REVERT: D 1605 TRP cc_start: 0.8885 (OUTLIER) cc_final: 0.8187 (m-10) REVERT: D 1648 MET cc_start: 0.9200 (OUTLIER) cc_final: 0.8650 (ttm) REVERT: D 1652 GLU cc_start: 0.9136 (OUTLIER) cc_final: 0.8289 (pp20) REVERT: D 1721 GLU cc_start: 0.8901 (OUTLIER) cc_final: 0.8495 (tm-30) REVERT: D 1772 ARG cc_start: 0.8746 (OUTLIER) cc_final: 0.8079 (mmt180) REVERT: D 1810 LYS cc_start: 0.9524 (OUTLIER) cc_final: 0.9253 (tptm) REVERT: D 1813 ARG cc_start: 0.9082 (OUTLIER) cc_final: 0.8640 (ptm-80) REVERT: D 1842 LEU cc_start: 0.9148 (OUTLIER) cc_final: 0.8759 (pp) REVERT: D 1861 GLN cc_start: 0.8985 (OUTLIER) cc_final: 0.8682 (tm-30) REVERT: D 1928 GLN cc_start: 0.9446 (OUTLIER) cc_final: 0.8898 (mp10) REVERT: D 1929 MET cc_start: 0.8429 (mpt) cc_final: 0.7860 (mpt) REVERT: D 2104 ARG cc_start: 0.9301 (OUTLIER) cc_final: 0.8943 (ptt-90) REVERT: D 2118 ARG cc_start: 0.9226 (OUTLIER) cc_final: 0.8833 (ttp80) REVERT: D 2120 MET cc_start: 0.8950 (OUTLIER) cc_final: 0.8540 (ppp) REVERT: D 2178 MET cc_start: 0.9105 (ppp) cc_final: 0.8745 (ppp) REVERT: D 2186 MET cc_start: 0.9396 (OUTLIER) cc_final: 0.8981 (mmm) REVERT: D 2228 MET cc_start: 0.9051 (OUTLIER) cc_final: 0.8804 (mmm) REVERT: D 2330 ARG cc_start: 0.8246 (OUTLIER) cc_final: 0.7816 (ttt180) REVERT: D 2472 LEU cc_start: 0.8490 (OUTLIER) cc_final: 0.7859 (mt) REVERT: D 2790 MET cc_start: 0.1616 (tmm) cc_final: 0.1207 (tpt) REVERT: D 2811 GLU cc_start: 0.8867 (OUTLIER) cc_final: 0.8601 (pm20) REVERT: D 2827 ARG cc_start: 0.7921 (OUTLIER) cc_final: 0.6689 (mtt90) REVERT: D 2874 MET cc_start: 0.3959 (mtt) cc_final: 0.3593 (ttt) REVERT: D 2935 TYR cc_start: 0.6281 (OUTLIER) cc_final: 0.5542 (m-80) REVERT: D 3697 PRO cc_start: 0.9353 (OUTLIER) cc_final: 0.9076 (Cg_endo) REVERT: D 3718 GLU cc_start: 0.9426 (OUTLIER) cc_final: 0.9098 (mm-30) REVERT: D 3725 TYR cc_start: 0.9544 (OUTLIER) cc_final: 0.8982 (t80) REVERT: D 3729 MET cc_start: 0.8460 (ppp) cc_final: 0.8201 (ppp) REVERT: D 3753 PHE cc_start: 0.8458 (OUTLIER) cc_final: 0.7915 (t80) REVERT: D 3875 MET cc_start: 0.8769 (tpt) cc_final: 0.8181 (tpt) REVERT: D 3890 LEU cc_start: 0.9247 (OUTLIER) cc_final: 0.9036 (tp) REVERT: D 3937 TYR cc_start: 0.8294 (OUTLIER) cc_final: 0.7953 (m-10) REVERT: D 3970 GLN cc_start: 0.8754 (OUTLIER) cc_final: 0.8367 (tm-30) REVERT: D 3986 TRP cc_start: 0.9162 (OUTLIER) cc_final: 0.8513 (m100) REVERT: D 4180 ARG cc_start: 0.6726 (OUTLIER) cc_final: 0.6348 (mtp-110) REVERT: D 4195 PHE cc_start: 0.9175 (OUTLIER) cc_final: 0.8783 (p90) REVERT: D 4205 TRP cc_start: 0.8984 (OUTLIER) cc_final: 0.8698 (t-100) REVERT: D 4212 GLU cc_start: 0.9394 (OUTLIER) cc_final: 0.8998 (pp20) REVERT: D 4639 MET cc_start: 0.1296 (ptt) cc_final: 0.0109 (mtt) REVERT: D 4674 GLU cc_start: 0.9548 (OUTLIER) cc_final: 0.9269 (tp30) REVERT: D 4780 PHE cc_start: 0.9257 (OUTLIER) cc_final: 0.8933 (m-80) REVERT: D 4818 MET cc_start: 0.7834 (OUTLIER) cc_final: 0.7246 (tpt) REVERT: D 4901 ILE cc_start: 0.6390 (OUTLIER) cc_final: 0.6059 (tp) REVERT: D 4913 ARG cc_start: 0.8080 (OUTLIER) cc_final: 0.7782 (ttm170) REVERT: D 4989 MET cc_start: 0.9253 (mmp) cc_final: 0.9050 (mmp) outliers start: 2966 outliers final: 2234 residues processed: 3298 average time/residue: 0.9045 time to fit residues: 5319.5281 Evaluate side-chains 2967 residues out of total 11344 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2491 poor density : 476 time to evaluate : 8.931 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 12 GLN Chi-restraints excluded: chain A residue 14 LEU Chi-restraints excluded: chain A residue 15 ARG Chi-restraints excluded: chain A residue 16 THR Chi-restraints excluded: chain A residue 17 ASP Chi-restraints excluded: chain A residue 18 ASP Chi-restraints excluded: chain A residue 19 GLU Chi-restraints excluded: chain A residue 29 LEU Chi-restraints excluded: chain A residue 32 GLN Chi-restraints excluded: chain A residue 35 LEU Chi-restraints excluded: chain A residue 40 GLU Chi-restraints excluded: chain A residue 44 ASN Chi-restraints excluded: chain A residue 49 LEU Chi-restraints excluded: chain A residue 62 LEU Chi-restraints excluded: chain A residue 66 CYS Chi-restraints excluded: chain A residue 67 PHE Chi-restraints excluded: chain A residue 69 LEU Chi-restraints excluded: chain A residue 70 GLU Chi-restraints excluded: chain A residue 72 SER Chi-restraints excluded: chain A residue 73 LEU Chi-restraints excluded: chain A residue 74 SER Chi-restraints excluded: chain A residue 75 VAL Chi-restraints excluded: chain A residue 76 ARG Chi-restraints excluded: chain A residue 78 LEU Chi-restraints excluded: chain A residue 81 MET Chi-restraints excluded: chain A residue 100 THR Chi-restraints excluded: chain A residue 109 LEU Chi-restraints excluded: chain A residue 111 HIS Chi-restraints excluded: chain A residue 113 HIS Chi-restraints excluded: chain A residue 121 LEU Chi-restraints excluded: chain A residue 122 THR Chi-restraints excluded: chain A residue 123 THR Chi-restraints excluded: chain A residue 124 SER Chi-restraints excluded: chain A residue 133 PHE Chi-restraints excluded: chain A residue 134 ASP Chi-restraints excluded: chain A residue 135 VAL Chi-restraints excluded: chain A residue 142 THR Chi-restraints excluded: chain A residue 144 GLU Chi-restraints excluded: chain A residue 149 THR Chi-restraints excluded: chain A residue 152 PRO Chi-restraints excluded: chain A residue 156 GLN Chi-restraints excluded: chain A residue 163 VAL Chi-restraints excluded: chain A residue 165 VAL Chi-restraints excluded: chain A residue 167 ASP Chi-restraints excluded: chain A residue 169 LEU Chi-restraints excluded: chain A residue 173 SER Chi-restraints excluded: chain A residue 179 TYR Chi-restraints excluded: chain A residue 181 HIS Chi-restraints excluded: chain A residue 183 SER Chi-restraints excluded: chain A residue 189 LEU Chi-restraints excluded: chain A residue 191 VAL Chi-restraints excluded: chain A residue 194 SER Chi-restraints excluded: chain A residue 205 ILE Chi-restraints excluded: chain A residue 206 CYS Chi-restraints excluded: chain A residue 208 CYS Chi-restraints excluded: chain A residue 210 GLU Chi-restraints excluded: chain A residue 211 GLU Chi-restraints excluded: chain A residue 222 LEU Chi-restraints excluded: chain A residue 238 SER Chi-restraints excluded: chain A residue 240 ASP Chi-restraints excluded: chain A residue 244 LEU Chi-restraints excluded: chain A residue 246 TYR Chi-restraints excluded: chain A residue 247 TYR Chi-restraints excluded: chain A residue 257 ARG Chi-restraints excluded: chain A residue 262 LEU Chi-restraints excluded: chain A residue 263 GLU Chi-restraints excluded: chain A residue 270 SER Chi-restraints excluded: chain A residue 282 ILE Chi-restraints excluded: chain A residue 283 ARG Chi-restraints excluded: chain A residue 286 THR Chi-restraints excluded: chain A residue 293 LEU Chi-restraints excluded: chain A residue 294 THR Chi-restraints excluded: chain A residue 299 LEU Chi-restraints excluded: chain A residue 301 VAL Chi-restraints excluded: chain A residue 312 THR Chi-restraints excluded: chain A residue 313 SER Chi-restraints excluded: chain A residue 319 SER Chi-restraints excluded: chain A residue 343 GLU Chi-restraints excluded: chain A residue 357 LEU Chi-restraints excluded: chain A residue 358 THR Chi-restraints excluded: chain A residue 359 TYR Chi-restraints excluded: chain A residue 372 LEU Chi-restraints excluded: chain A residue 373 LYS Chi-restraints excluded: chain A residue 381 GLU Chi-restraints excluded: chain A residue 390 LEU Chi-restraints excluded: chain A residue 394 GLN Chi-restraints excluded: chain A residue 396 GLU Chi-restraints excluded: chain A residue 397 GLU Chi-restraints excluded: chain A residue 398 SER Chi-restraints excluded: chain A residue 399 GLN Chi-restraints excluded: chain A residue 403 MET Chi-restraints excluded: chain A residue 404 ILE Chi-restraints excluded: chain A residue 410 LEU Chi-restraints excluded: chain A residue 415 ILE Chi-restraints excluded: chain A residue 420 SER Chi-restraints excluded: chain A residue 438 ILE Chi-restraints excluded: chain A residue 439 GLU Chi-restraints excluded: chain A residue 442 ILE Chi-restraints excluded: chain A residue 447 ASP Chi-restraints excluded: chain A residue 452 PHE Chi-restraints excluded: chain A residue 455 PRO Chi-restraints excluded: chain A residue 469 ARG Chi-restraints excluded: chain A residue 483 MET Chi-restraints excluded: chain A residue 485 SER Chi-restraints excluded: chain A residue 486 LEU Chi-restraints excluded: chain A residue 487 VAL Chi-restraints excluded: chain A residue 488 LEU Chi-restraints excluded: chain A residue 491 ILE Chi-restraints excluded: chain A residue 497 TYR Chi-restraints excluded: chain A residue 506 TYR Chi-restraints excluded: chain A residue 510 GLU Chi-restraints excluded: chain A residue 513 GLU Chi-restraints excluded: chain A residue 514 SER Chi-restraints excluded: chain A residue 517 GLU Chi-restraints excluded: chain A residue 519 VAL Chi-restraints excluded: chain A residue 522 LEU Chi-restraints excluded: chain A residue 526 LEU Chi-restraints excluded: chain A residue 529 LEU Chi-restraints excluded: chain A residue 530 ILE Chi-restraints excluded: chain A residue 533 ASN Chi-restraints excluded: chain A residue 536 ASN Chi-restraints excluded: chain A residue 539 LEU Chi-restraints excluded: chain A residue 540 PHE Chi-restraints excluded: chain A residue 541 SER Chi-restraints excluded: chain A residue 547 VAL Chi-restraints excluded: chain A residue 561 LEU Chi-restraints excluded: chain A residue 563 VAL Chi-restraints excluded: chain A residue 569 ILE Chi-restraints excluded: chain A residue 575 LEU Chi-restraints excluded: chain A residue 579 GLN Chi-restraints excluded: chain A residue 580 GLU Chi-restraints excluded: chain A residue 586 ILE Chi-restraints excluded: chain A residue 590 LEU Chi-restraints excluded: chain A residue 591 ASP Chi-restraints excluded: chain A residue 599 VAL Chi-restraints excluded: chain A residue 602 VAL Chi-restraints excluded: chain A residue 605 SER Chi-restraints excluded: chain A residue 609 CYS Chi-restraints excluded: chain A residue 614 VAL Chi-restraints excluded: chain A residue 621 ILE Chi-restraints excluded: chain A residue 622 THR Chi-restraints excluded: chain A residue 631 LEU Chi-restraints excluded: chain A residue 635 THR Chi-restraints excluded: chain A residue 638 ILE Chi-restraints excluded: chain A residue 642 THR Chi-restraints excluded: chain A residue 661 LYS Chi-restraints excluded: chain A residue 663 TYR Chi-restraints excluded: chain A residue 665 GLU Chi-restraints excluded: chain A residue 669 ASP Chi-restraints excluded: chain A residue 672 VAL Chi-restraints excluded: chain A residue 676 THR Chi-restraints excluded: chain A residue 682 LEU Chi-restraints excluded: chain A residue 684 VAL Chi-restraints excluded: chain A residue 690 GLU Chi-restraints excluded: chain A residue 695 TYR Chi-restraints excluded: chain A residue 702 TRP Chi-restraints excluded: chain A residue 709 ASP Chi-restraints excluded: chain A residue 710 ASP Chi-restraints excluded: chain A residue 712 TYR Chi-restraints excluded: chain A residue 714 TYR Chi-restraints excluded: chain A residue 719 LEU Chi-restraints excluded: chain A residue 730 VAL Chi-restraints excluded: chain A residue 735 GLN Chi-restraints excluded: chain A residue 748 LEU Chi-restraints excluded: chain A residue 751 SER Chi-restraints excluded: chain A residue 752 VAL Chi-restraints excluded: chain A residue 754 SER Chi-restraints excluded: chain A residue 756 SER Chi-restraints excluded: chain A residue 757 PHE Chi-restraints excluded: chain A residue 760 ASN Chi-restraints excluded: chain A residue 771 PHE Chi-restraints excluded: chain A residue 772 ASN Chi-restraints excluded: chain A residue 773 LEU Chi-restraints excluded: chain A residue 783 PHE Chi-restraints excluded: chain A residue 784 SER Chi-restraints excluded: chain A residue 801 LYS Chi-restraints excluded: chain A residue 802 PHE Chi-restraints excluded: chain A residue 815 VAL Chi-restraints excluded: chain A residue 822 ARG Chi-restraints excluded: chain A residue 829 TYR Chi-restraints excluded: chain A residue 839 LEU Chi-restraints excluded: chain A residue 867 LEU Chi-restraints excluded: chain A residue 869 ARG Chi-restraints excluded: chain A residue 886 ARG Chi-restraints excluded: chain A residue 896 VAL Chi-restraints excluded: chain A residue 900 ASN Chi-restraints excluded: chain A residue 908 VAL Chi-restraints excluded: chain A residue 910 PHE Chi-restraints excluded: chain A residue 923 GLN Chi-restraints excluded: chain A residue 928 THR Chi-restraints excluded: chain A residue 948 ASP Chi-restraints excluded: chain A residue 960 MET Chi-restraints excluded: chain A residue 961 MET Chi-restraints excluded: chain A residue 971 ASP Chi-restraints excluded: chain A residue 972 LEU Chi-restraints excluded: chain A residue 974 HIS Chi-restraints excluded: chain A residue 978 THR Chi-restraints excluded: chain A residue 1036 ARG Chi-restraints excluded: chain A residue 1039 LEU Chi-restraints excluded: chain A residue 1045 THR Chi-restraints excluded: chain A residue 1072 VAL Chi-restraints excluded: chain A residue 1076 ARG Chi-restraints excluded: chain A residue 1078 GLU Chi-restraints excluded: chain A residue 1081 TYR Chi-restraints excluded: chain A residue 1087 ARG Chi-restraints excluded: chain A residue 1093 GLU Chi-restraints excluded: chain A residue 1101 ARG Chi-restraints excluded: chain A residue 1108 GLU Chi-restraints excluded: chain A residue 1120 LEU Chi-restraints excluded: chain A residue 1127 HIS Chi-restraints excluded: chain A residue 1132 TRP Chi-restraints excluded: chain A residue 1133 HIS Chi-restraints excluded: chain A residue 1134 LEU Chi-restraints excluded: chain A residue 1139 PHE Chi-restraints excluded: chain A residue 1143 TRP Chi-restraints excluded: chain A residue 1155 LEU Chi-restraints excluded: chain A residue 1158 ASN Chi-restraints excluded: chain A residue 1160 ILE Chi-restraints excluded: chain A residue 1163 THR Chi-restraints excluded: chain A residue 1169 LEU Chi-restraints excluded: chain A residue 1170 MET Chi-restraints excluded: chain A residue 1172 ASP Chi-restraints excluded: chain A residue 1184 ILE Chi-restraints excluded: chain A residue 1191 VAL Chi-restraints excluded: chain A residue 1203 ASN Chi-restraints excluded: chain A residue 1209 SER Chi-restraints excluded: chain A residue 1219 LEU Chi-restraints excluded: chain A residue 1226 PHE Chi-restraints excluded: chain A residue 1235 THR Chi-restraints excluded: chain A residue 1240 LYS Chi-restraints excluded: chain A residue 1242 LEU Chi-restraints excluded: chain A residue 1244 GLN Chi-restraints excluded: chain A residue 1245 PHE Chi-restraints excluded: chain A residue 1248 VAL Chi-restraints excluded: chain A residue 1251 GLU Chi-restraints excluded: chain A residue 1254 HIS Chi-restraints excluded: chain A residue 1266 THR Chi-restraints excluded: chain A residue 1272 LEU Chi-restraints excluded: chain A residue 1590 GLN Chi-restraints excluded: chain A residue 1597 VAL Chi-restraints excluded: chain A residue 1600 LEU Chi-restraints excluded: chain A residue 1601 MET Chi-restraints excluded: chain A residue 1605 TRP Chi-restraints excluded: chain A residue 1613 LEU Chi-restraints excluded: chain A residue 1630 CYS Chi-restraints excluded: chain A residue 1636 MET Chi-restraints excluded: chain A residue 1639 LEU Chi-restraints excluded: chain A residue 1641 ILE Chi-restraints excluded: chain A residue 1648 MET Chi-restraints excluded: chain A residue 1649 ASP Chi-restraints excluded: chain A residue 1652 GLU Chi-restraints excluded: chain A residue 1654 SER Chi-restraints excluded: chain A residue 1657 LEU Chi-restraints excluded: chain A residue 1658 ASP Chi-restraints excluded: chain A residue 1661 ARG Chi-restraints excluded: chain A residue 1666 THR Chi-restraints excluded: chain A residue 1673 VAL Chi-restraints excluded: chain A residue 1679 ASN Chi-restraints excluded: chain A residue 1680 ARG Chi-restraints excluded: chain A residue 1686 CYS Chi-restraints excluded: chain A residue 1694 LEU Chi-restraints excluded: chain A residue 1695 LEU Chi-restraints excluded: chain A residue 1699 GLU Chi-restraints excluded: chain A residue 1700 ASP Chi-restraints excluded: chain A residue 1703 LEU Chi-restraints excluded: chain A residue 1707 LEU Chi-restraints excluded: chain A residue 1713 ASP Chi-restraints excluded: chain A residue 1720 LEU Chi-restraints excluded: chain A residue 1721 GLU Chi-restraints excluded: chain A residue 1731 LEU Chi-restraints excluded: chain A residue 1738 LEU Chi-restraints excluded: chain A residue 1739 THR Chi-restraints excluded: chain A residue 1743 ARG Chi-restraints excluded: chain A residue 1760 HIS Chi-restraints excluded: chain A residue 1768 THR Chi-restraints excluded: chain A residue 1770 SER Chi-restraints excluded: chain A residue 1772 ARG Chi-restraints excluded: chain A residue 1778 SER Chi-restraints excluded: chain A residue 1786 LEU Chi-restraints excluded: chain A residue 1797 ARG Chi-restraints excluded: chain A residue 1798 LEU Chi-restraints excluded: chain A residue 1819 VAL Chi-restraints excluded: chain A residue 1839 VAL Chi-restraints excluded: chain A residue 1842 LEU Chi-restraints excluded: chain A residue 1848 LEU Chi-restraints excluded: chain A residue 1850 VAL Chi-restraints excluded: chain A residue 1853 ILE Chi-restraints excluded: chain A residue 1856 ASP Chi-restraints excluded: chain A residue 1857 GLU Chi-restraints excluded: chain A residue 1861 GLN Chi-restraints excluded: chain A residue 1863 LEU Chi-restraints excluded: chain A residue 1870 VAL Chi-restraints excluded: chain A residue 1928 GLN Chi-restraints excluded: chain A residue 1935 VAL Chi-restraints excluded: chain A residue 1939 MET Chi-restraints excluded: chain A residue 1942 LEU Chi-restraints excluded: chain A residue 1943 LEU Chi-restraints excluded: chain A residue 1947 CYS Chi-restraints excluded: chain A residue 1951 LEU Chi-restraints excluded: chain A residue 1958 LEU Chi-restraints excluded: chain A residue 1963 GLU Chi-restraints excluded: chain A residue 1966 VAL Chi-restraints excluded: chain A residue 1968 LYS Chi-restraints excluded: chain A residue 1976 ARG Chi-restraints excluded: chain A residue 1996 ARG Chi-restraints excluded: chain A residue 2030 ASP Chi-restraints excluded: chain A residue 2031 LEU Chi-restraints excluded: chain A residue 2034 PHE Chi-restraints excluded: chain A residue 2035 HIS Chi-restraints excluded: chain A residue 2095 GLN Chi-restraints excluded: chain A residue 2098 VAL Chi-restraints excluded: chain A residue 2101 MET Chi-restraints excluded: chain A residue 2102 VAL Chi-restraints excluded: chain A residue 2103 VAL Chi-restraints excluded: chain A residue 2104 ARG Chi-restraints excluded: chain A residue 2115 GLU Chi-restraints excluded: chain A residue 2117 VAL Chi-restraints excluded: chain A residue 2118 ARG Chi-restraints excluded: chain A residue 2120 MET Chi-restraints excluded: chain A residue 2122 SER Chi-restraints excluded: chain A residue 2125 HIS Chi-restraints excluded: chain A residue 2128 TYR Chi-restraints excluded: chain A residue 2138 LEU Chi-restraints excluded: chain A residue 2143 THR Chi-restraints excluded: chain A residue 2148 SER Chi-restraints excluded: chain A residue 2150 GLU Chi-restraints excluded: chain A residue 2155 LEU Chi-restraints excluded: chain A residue 2164 SER Chi-restraints excluded: chain A residue 2166 LEU Chi-restraints excluded: chain A residue 2169 GLN Chi-restraints excluded: chain A residue 2184 ASN Chi-restraints excluded: chain A residue 2185 ILE Chi-restraints excluded: chain A residue 2186 MET Chi-restraints excluded: chain A residue 2187 ASN Chi-restraints excluded: chain A residue 2189 LYS Chi-restraints excluded: chain A residue 2203 MET Chi-restraints excluded: chain A residue 2204 HIS Chi-restraints excluded: chain A residue 2207 VAL Chi-restraints excluded: chain A residue 2225 PHE Chi-restraints excluded: chain A residue 2228 MET Chi-restraints excluded: chain A residue 2229 VAL Chi-restraints excluded: chain A residue 2231 SER Chi-restraints excluded: chain A residue 2232 CYS Chi-restraints excluded: chain A residue 2237 CYS Chi-restraints excluded: chain A residue 2245 GLN Chi-restraints excluded: chain A residue 2246 ASN Chi-restraints excluded: chain A residue 2251 PHE Chi-restraints excluded: chain A residue 2254 LEU Chi-restraints excluded: chain A residue 2256 TYR Chi-restraints excluded: chain A residue 2258 LEU Chi-restraints excluded: chain A residue 2260 ASN Chi-restraints excluded: chain A residue 2265 LEU Chi-restraints excluded: chain A residue 2275 VAL Chi-restraints excluded: chain A residue 2279 SER Chi-restraints excluded: chain A residue 2280 VAL Chi-restraints excluded: chain A residue 2291 GLN Chi-restraints excluded: chain A residue 2292 GLU Chi-restraints excluded: chain A residue 2298 VAL Chi-restraints excluded: chain A residue 2330 ARG Chi-restraints excluded: chain A residue 2334 PHE Chi-restraints excluded: chain A residue 2339 VAL Chi-restraints excluded: chain A residue 2346 VAL Chi-restraints excluded: chain A residue 2348 GLU Chi-restraints excluded: chain A residue 2349 ASN Chi-restraints excluded: chain A residue 2353 VAL Chi-restraints excluded: chain A residue 2354 VAL Chi-restraints excluded: chain A residue 2357 LEU Chi-restraints excluded: chain A residue 2368 LEU Chi-restraints excluded: chain A residue 2376 LEU Chi-restraints excluded: chain A residue 2377 LEU Chi-restraints excluded: chain A residue 2380 ILE Chi-restraints excluded: chain A residue 2418 LEU Chi-restraints excluded: chain A residue 2432 LEU Chi-restraints excluded: chain A residue 2433 LEU Chi-restraints excluded: chain A residue 2440 MET Chi-restraints excluded: chain A residue 2449 GLU Chi-restraints excluded: chain A residue 2451 LEU Chi-restraints excluded: chain A residue 2454 ARG Chi-restraints excluded: chain A residue 2457 LEU Chi-restraints excluded: chain A residue 2460 LEU Chi-restraints excluded: chain A residue 2463 LEU Chi-restraints excluded: chain A residue 2472 LEU Chi-restraints excluded: chain A residue 2746 ILE Chi-restraints excluded: chain A residue 2756 ASN Chi-restraints excluded: chain A residue 2760 GLU Chi-restraints excluded: chain A residue 2773 ASN Chi-restraints excluded: chain A residue 2796 THR Chi-restraints excluded: chain A residue 2809 ILE Chi-restraints excluded: chain A residue 2821 TRP Chi-restraints excluded: chain A residue 2827 ARG Chi-restraints excluded: chain A residue 2855 TYR Chi-restraints excluded: chain A residue 2856 ASN Chi-restraints excluded: chain A residue 2867 LEU Chi-restraints excluded: chain A residue 2881 ASN Chi-restraints excluded: chain A residue 2888 ARG Chi-restraints excluded: chain A residue 2889 LYS Chi-restraints excluded: chain A residue 2905 LEU Chi-restraints excluded: chain A residue 2906 VAL Chi-restraints excluded: chain A residue 2910 THR Chi-restraints excluded: chain A residue 2911 LEU Chi-restraints excluded: chain A residue 2935 TYR Chi-restraints excluded: chain A residue 2938 THR Chi-restraints excluded: chain A residue 3646 THR Chi-restraints excluded: chain A residue 3651 ASN Chi-restraints excluded: chain A residue 3652 MET Chi-restraints excluded: chain A residue 3657 TYR Chi-restraints excluded: chain A residue 3661 TRP Chi-restraints excluded: chain A residue 3665 GLU Chi-restraints excluded: chain A residue 3666 ASP Chi-restraints excluded: chain A residue 3669 PHE Chi-restraints excluded: chain A residue 3676 ASP Chi-restraints excluded: chain A residue 3679 LYS Chi-restraints excluded: chain A residue 3697 PRO Chi-restraints excluded: chain A residue 3698 LEU Chi-restraints excluded: chain A residue 3702 VAL Chi-restraints excluded: chain A residue 3708 THR Chi-restraints excluded: chain A residue 3711 THR Chi-restraints excluded: chain A residue 3714 SER Chi-restraints excluded: chain A residue 3717 ASP Chi-restraints excluded: chain A residue 3718 GLU Chi-restraints excluded: chain A residue 3720 TYR Chi-restraints excluded: chain A residue 3725 TYR Chi-restraints excluded: chain A residue 3727 ASP Chi-restraints excluded: chain A residue 3753 PHE Chi-restraints excluded: chain A residue 3763 LEU Chi-restraints excluded: chain A residue 3773 ARG Chi-restraints excluded: chain A residue 3786 CYS Chi-restraints excluded: chain A residue 3787 LYS Chi-restraints excluded: chain A residue 3790 THR Chi-restraints excluded: chain A residue 3796 SER Chi-restraints excluded: chain A residue 3797 THR Chi-restraints excluded: chain A residue 3798 LEU Chi-restraints excluded: chain A residue 3802 ILE Chi-restraints excluded: chain A residue 3811 GLU Chi-restraints excluded: chain A residue 3816 MET Chi-restraints excluded: chain A residue 3822 ASP Chi-restraints excluded: chain A residue 3828 PHE Chi-restraints excluded: chain A residue 3838 THR Chi-restraints excluded: chain A residue 3843 ASP Chi-restraints excluded: chain A residue 3844 LEU Chi-restraints excluded: chain A residue 3847 PHE Chi-restraints excluded: chain A residue 3881 THR Chi-restraints excluded: chain A residue 3882 GLN Chi-restraints excluded: chain A residue 3883 ASP Chi-restraints excluded: chain A residue 3890 LEU Chi-restraints excluded: chain A residue 3891 LEU Chi-restraints excluded: chain A residue 3895 HIS Chi-restraints excluded: chain A residue 3900 GLN Chi-restraints excluded: chain A residue 3907 THR Chi-restraints excluded: chain A residue 3909 ASN Chi-restraints excluded: chain A residue 3913 ILE Chi-restraints excluded: chain A residue 3915 ILE Chi-restraints excluded: chain A residue 3916 ILE Chi-restraints excluded: chain A residue 3917 ILE Chi-restraints excluded: chain A residue 3920 VAL Chi-restraints excluded: chain A residue 3924 LEU Chi-restraints excluded: chain A residue 3927 GLN Chi-restraints excluded: chain A residue 3928 GLU Chi-restraints excluded: chain A residue 3929 SER Chi-restraints excluded: chain A residue 3931 SER Chi-restraints excluded: chain A residue 3932 ASP Chi-restraints excluded: chain A residue 3937 TYR Chi-restraints excluded: chain A residue 3944 GLU Chi-restraints excluded: chain A residue 3946 GLN Chi-restraints excluded: chain A residue 3948 LYS Chi-restraints excluded: chain A residue 3953 LYS Chi-restraints excluded: chain A residue 3957 VAL Chi-restraints excluded: chain A residue 3959 LYS Chi-restraints excluded: chain A residue 3961 VAL Chi-restraints excluded: chain A residue 3964 SER Chi-restraints excluded: chain A residue 3974 THR Chi-restraints excluded: chain A residue 3978 GLN Chi-restraints excluded: chain A residue 3979 SER Chi-restraints excluded: chain A residue 3982 HIS Chi-restraints excluded: chain A residue 3986 TRP Chi-restraints excluded: chain A residue 3987 ASP Chi-restraints excluded: chain A residue 3990 VAL Chi-restraints excluded: chain A residue 3996 PHE Chi-restraints excluded: chain A residue 4020 GLN Chi-restraints excluded: chain A residue 4022 ASP Chi-restraints excluded: chain A residue 4023 MET Chi-restraints excluded: chain A residue 4025 VAL Chi-restraints excluded: chain A residue 4034 ASN Chi-restraints excluded: chain A residue 4035 VAL Chi-restraints excluded: chain A residue 4036 VAL Chi-restraints excluded: chain A residue 4044 MET Chi-restraints excluded: chain A residue 4045 VAL Chi-restraints excluded: chain A residue 4046 ASP Chi-restraints excluded: chain A residue 4049 VAL Chi-restraints excluded: chain A residue 4055 VAL Chi-restraints excluded: chain A residue 4058 ILE Chi-restraints excluded: chain A residue 4059 LEU Chi-restraints excluded: chain A residue 4063 ASP Chi-restraints excluded: chain A residue 4066 LEU Chi-restraints excluded: chain A residue 4070 ASP Chi-restraints excluded: chain A residue 4088 ILE Chi-restraints excluded: chain A residue 4090 LYS Chi-restraints excluded: chain A residue 4095 LYS Chi-restraints excluded: chain A residue 4102 GLN Chi-restraints excluded: chain A residue 4109 GLN Chi-restraints excluded: chain A residue 4128 PHE Chi-restraints excluded: chain A residue 4142 ASN Chi-restraints excluded: chain A residue 4143 VAL Chi-restraints excluded: chain A residue 4150 LEU Chi-restraints excluded: chain A residue 4151 SER Chi-restraints excluded: chain A residue 4157 ASP Chi-restraints excluded: chain A residue 4159 ARG Chi-restraints excluded: chain A residue 4160 LEU Chi-restraints excluded: chain A residue 4162 ASN Chi-restraints excluded: chain A residue 4164 LEU Chi-restraints excluded: chain A residue 4166 LEU Chi-restraints excluded: chain A residue 4171 LEU Chi-restraints excluded: chain A residue 4178 LEU Chi-restraints excluded: chain A residue 4180 ARG Chi-restraints excluded: chain A residue 4181 ILE Chi-restraints excluded: chain A residue 4190 ILE Chi-restraints excluded: chain A residue 4200 THR Chi-restraints excluded: chain A residue 4205 TRP Chi-restraints excluded: chain A residue 4206 GLU Chi-restraints excluded: chain A residue 4212 GLU Chi-restraints excluded: chain A residue 4231 MET Chi-restraints excluded: chain A residue 4237 PHE Chi-restraints excluded: chain A residue 4238 CYS Chi-restraints excluded: chain A residue 4244 GLU Chi-restraints excluded: chain A residue 4250 GLN Chi-restraints excluded: chain A residue 4251 ILE Chi-restraints excluded: chain A residue 4252 SER Chi-restraints excluded: chain A residue 4546 VAL Chi-restraints excluded: chain A residue 4547 GLN Chi-restraints excluded: chain A residue 4549 VAL Chi-restraints excluded: chain A residue 4558 ASN Chi-restraints excluded: chain A residue 4559 PHE Chi-restraints excluded: chain A residue 4565 LEU Chi-restraints excluded: chain A residue 4571 PHE Chi-restraints excluded: chain A residue 4573 ILE Chi-restraints excluded: chain A residue 4576 ILE Chi-restraints excluded: chain A residue 4578 LEU Chi-restraints excluded: chain A residue 4630 TYR Chi-restraints excluded: chain A residue 4631 PHE Chi-restraints excluded: chain A residue 4632 LEU Chi-restraints excluded: chain A residue 4635 SER Chi-restraints excluded: chain A residue 4638 TYR Chi-restraints excluded: chain A residue 4643 LEU Chi-restraints excluded: chain A residue 4646 LEU Chi-restraints excluded: chain A residue 4648 LEU Chi-restraints excluded: chain A residue 4649 LEU Chi-restraints excluded: chain A residue 4651 THR Chi-restraints excluded: chain A residue 4652 LEU Chi-restraints excluded: chain A residue 4653 VAL Chi-restraints excluded: chain A residue 4656 LEU Chi-restraints excluded: chain A residue 4657 CYS Chi-restraints excluded: chain A residue 4663 CYS Chi-restraints excluded: chain A residue 4666 VAL Chi-restraints excluded: chain A residue 4668 LEU Chi-restraints excluded: chain A residue 4671 PHE Chi-restraints excluded: chain A residue 4674 GLU Chi-restraints excluded: chain A residue 4676 GLU Chi-restraints excluded: chain A residue 4677 LEU Chi-restraints excluded: chain A residue 4684 ASP Chi-restraints excluded: chain A residue 4686 LEU Chi-restraints excluded: chain A residue 4688 ILE Chi-restraints excluded: chain A residue 4701 TRP Chi-restraints excluded: chain A residue 4710 SER Chi-restraints excluded: chain A residue 4714 ASN Chi-restraints excluded: chain A residue 4723 LYS Chi-restraints excluded: chain A residue 4727 LYS Chi-restraints excluded: chain A residue 4731 ILE Chi-restraints excluded: chain A residue 4739 GLU Chi-restraints excluded: chain A residue 4747 SER Chi-restraints excluded: chain A residue 4770 SER Chi-restraints excluded: chain A residue 4771 ILE Chi-restraints excluded: chain A residue 4774 LYS Chi-restraints excluded: chain A residue 4777 ILE Chi-restraints excluded: chain A residue 4780 PHE Chi-restraints excluded: chain A residue 4783 ILE Chi-restraints excluded: chain A residue 4786 ASP Chi-restraints excluded: chain A residue 4791 TYR Chi-restraints excluded: chain A residue 4794 TRP Chi-restraints excluded: chain A residue 4797 VAL Chi-restraints excluded: chain A residue 4800 LEU Chi-restraints excluded: chain A residue 4807 PHE Chi-restraints excluded: chain A residue 4814 LEU Chi-restraints excluded: chain A residue 4818 MET Chi-restraints excluded: chain A residue 4822 THR Chi-restraints excluded: chain A residue 4827 LEU Chi-restraints excluded: chain A residue 4830 VAL Chi-restraints excluded: chain A residue 4836 GLN Chi-restraints excluded: chain A residue 4838 VAL Chi-restraints excluded: chain A residue 4840 THR Chi-restraints excluded: chain A residue 4844 LEU Chi-restraints excluded: chain A residue 4849 TYR Chi-restraints excluded: chain A residue 4852 THR Chi-restraints excluded: chain A residue 4854 VAL Chi-restraints excluded: chain A residue 4864 ASN Chi-restraints excluded: chain A residue 4867 GLU Chi-restraints excluded: chain A residue 4877 ASP Chi-restraints excluded: chain A residue 4901 ILE Chi-restraints excluded: chain A residue 4904 PRO Chi-restraints excluded: chain A residue 4913 ARG Chi-restraints excluded: chain A residue 4915 VAL Chi-restraints excluded: chain A residue 4918 ILE Chi-restraints excluded: chain A residue 4919 THR Chi-restraints excluded: chain A residue 4920 PHE Chi-restraints excluded: chain A residue 4921 PHE Chi-restraints excluded: chain A residue 4943 LEU Chi-restraints excluded: chain A residue 4945 ASP Chi-restraints excluded: chain A residue 4950 VAL Chi-restraints excluded: chain A residue 4959 PHE Chi-restraints excluded: chain A residue 4983 HIS Chi-restraints excluded: chain A residue 4984 ASN Chi-restraints excluded: chain A residue 4985 LEU Chi-restraints excluded: chain A residue 4990 PHE Chi-restraints excluded: chain A residue 4994 TYR Chi-restraints excluded: chain A residue 4998 LYS Chi-restraints excluded: chain A residue 4999 ASP Chi-restraints excluded: chain A residue 5010 VAL Chi-restraints excluded: chain A residue 5013 MET Chi-restraints excluded: chain A residue 5014 TYR Chi-restraints excluded: chain A residue 5020 ASP Chi-restraints excluded: chain A residue 5027 CYS Chi-restraints excluded: chain B residue 12 GLN Chi-restraints excluded: chain B residue 14 LEU Chi-restraints excluded: chain B residue 15 ARG Chi-restraints excluded: chain B residue 16 THR Chi-restraints excluded: chain B residue 17 ASP Chi-restraints excluded: chain B residue 18 ASP Chi-restraints excluded: chain B residue 19 GLU Chi-restraints excluded: chain B residue 29 LEU Chi-restraints excluded: chain B residue 32 GLN Chi-restraints excluded: chain B residue 35 LEU Chi-restraints excluded: chain B residue 40 GLU Chi-restraints excluded: chain B residue 44 ASN Chi-restraints excluded: chain B residue 49 LEU Chi-restraints excluded: chain B residue 66 CYS Chi-restraints excluded: chain B residue 67 PHE Chi-restraints excluded: chain B residue 69 LEU Chi-restraints excluded: chain B residue 70 GLU Chi-restraints excluded: chain B residue 72 SER Chi-restraints excluded: chain B residue 73 LEU Chi-restraints excluded: chain B residue 74 SER Chi-restraints excluded: chain B residue 75 VAL Chi-restraints excluded: chain B residue 76 ARG Chi-restraints excluded: chain B residue 78 LEU Chi-restraints excluded: chain B residue 81 MET Chi-restraints excluded: chain B residue 100 THR Chi-restraints excluded: chain B residue 109 LEU Chi-restraints excluded: chain B residue 111 HIS Chi-restraints excluded: chain B residue 113 HIS Chi-restraints excluded: chain B residue 121 LEU Chi-restraints excluded: chain B residue 122 THR Chi-restraints excluded: chain B residue 123 THR Chi-restraints excluded: chain B residue 124 SER Chi-restraints excluded: chain B residue 133 PHE Chi-restraints excluded: chain B residue 134 ASP Chi-restraints excluded: chain B residue 135 VAL Chi-restraints excluded: chain B residue 142 THR Chi-restraints excluded: chain B residue 144 GLU Chi-restraints excluded: chain B residue 149 THR Chi-restraints excluded: chain B residue 152 PRO Chi-restraints excluded: chain B residue 156 GLN Chi-restraints excluded: chain B residue 163 VAL Chi-restraints excluded: chain B residue 165 VAL Chi-restraints excluded: chain B residue 167 ASP Chi-restraints excluded: chain B residue 169 LEU Chi-restraints excluded: chain B residue 173 SER Chi-restraints excluded: chain B residue 175 SER Chi-restraints excluded: chain B residue 179 TYR Chi-restraints excluded: chain B residue 181 HIS Chi-restraints excluded: chain B residue 183 SER Chi-restraints excluded: chain B residue 189 LEU Chi-restraints excluded: chain B residue 191 VAL Chi-restraints excluded: chain B residue 194 SER Chi-restraints excluded: chain B residue 205 ILE Chi-restraints excluded: chain B residue 206 CYS Chi-restraints excluded: chain B residue 208 CYS Chi-restraints excluded: chain B residue 210 GLU Chi-restraints excluded: chain B residue 211 GLU Chi-restraints excluded: chain B residue 222 LEU Chi-restraints excluded: chain B residue 238 SER Chi-restraints excluded: chain B residue 244 LEU Chi-restraints excluded: chain B residue 246 TYR Chi-restraints excluded: chain B residue 247 TYR Chi-restraints excluded: chain B residue 257 ARG Chi-restraints excluded: chain B residue 262 LEU Chi-restraints excluded: chain B residue 270 SER Chi-restraints excluded: chain B residue 282 ILE Chi-restraints excluded: chain B residue 283 ARG Chi-restraints excluded: chain B residue 286 THR Chi-restraints excluded: chain B residue 293 LEU Chi-restraints excluded: chain B residue 294 THR Chi-restraints excluded: chain B residue 299 LEU Chi-restraints excluded: chain B residue 312 THR Chi-restraints excluded: chain B residue 313 SER Chi-restraints excluded: chain B residue 315 CYS Chi-restraints excluded: chain B residue 343 GLU Chi-restraints excluded: chain B residue 357 LEU Chi-restraints excluded: chain B residue 359 TYR Chi-restraints excluded: chain B residue 373 LYS Chi-restraints excluded: chain B residue 381 GLU Chi-restraints excluded: chain B residue 390 LEU Chi-restraints excluded: chain B residue 396 GLU Chi-restraints excluded: chain B residue 397 GLU Chi-restraints excluded: chain B residue 398 SER Chi-restraints excluded: chain B residue 403 MET Chi-restraints excluded: chain B residue 404 ILE Chi-restraints excluded: chain B residue 410 LEU Chi-restraints excluded: chain B residue 415 ILE Chi-restraints excluded: chain B residue 420 SER Chi-restraints excluded: chain B residue 438 ILE Chi-restraints excluded: chain B residue 439 GLU Chi-restraints excluded: chain B residue 442 ILE Chi-restraints excluded: chain B residue 452 PHE Chi-restraints excluded: chain B residue 460 GLN Chi-restraints excluded: chain B residue 462 GLU Chi-restraints excluded: chain B residue 463 GLU Chi-restraints excluded: chain B residue 469 ARG Chi-restraints excluded: chain B residue 475 GLN Chi-restraints excluded: chain B residue 483 MET Chi-restraints excluded: chain B residue 485 SER Chi-restraints excluded: chain B residue 486 LEU Chi-restraints excluded: chain B residue 487 VAL Chi-restraints excluded: chain B residue 488 LEU Chi-restraints excluded: chain B residue 491 ILE Chi-restraints excluded: chain B residue 497 TYR Chi-restraints excluded: chain B residue 506 TYR Chi-restraints excluded: chain B residue 510 GLU Chi-restraints excluded: chain B residue 513 GLU Chi-restraints excluded: chain B residue 514 SER Chi-restraints excluded: chain B residue 515 TRP Chi-restraints excluded: chain B residue 517 GLU Chi-restraints excluded: chain B residue 519 VAL Chi-restraints excluded: chain B residue 522 LEU Chi-restraints excluded: chain B residue 526 LEU Chi-restraints excluded: chain B residue 530 ILE Chi-restraints excluded: chain B residue 533 ASN Chi-restraints excluded: chain B residue 536 ASN Chi-restraints excluded: chain B residue 539 LEU Chi-restraints excluded: chain B residue 540 PHE Chi-restraints excluded: chain B residue 541 SER Chi-restraints excluded: chain B residue 547 VAL Chi-restraints excluded: chain B residue 561 LEU Chi-restraints excluded: chain B residue 563 VAL Chi-restraints excluded: chain B residue 564 LEU Chi-restraints excluded: chain B residue 569 ILE Chi-restraints excluded: chain B residue 575 LEU Chi-restraints excluded: chain B residue 579 GLN Chi-restraints excluded: chain B residue 580 GLU Chi-restraints excluded: chain B residue 586 ILE Chi-restraints excluded: chain B residue 590 LEU Chi-restraints excluded: chain B residue 591 ASP Chi-restraints excluded: chain B residue 599 VAL Chi-restraints excluded: chain B residue 602 VAL Chi-restraints excluded: chain B residue 605 SER Chi-restraints excluded: chain B residue 609 CYS Chi-restraints excluded: chain B residue 614 VAL Chi-restraints excluded: chain B residue 621 ILE Chi-restraints excluded: chain B residue 622 THR Chi-restraints excluded: chain B residue 631 LEU Chi-restraints excluded: chain B residue 635 THR Chi-restraints excluded: chain B residue 638 ILE Chi-restraints excluded: chain B residue 642 THR Chi-restraints excluded: chain B residue 661 LYS Chi-restraints excluded: chain B residue 663 TYR Chi-restraints excluded: chain B residue 665 GLU Chi-restraints excluded: chain B residue 669 ASP Chi-restraints excluded: chain B residue 672 VAL Chi-restraints excluded: chain B residue 676 THR Chi-restraints excluded: chain B residue 681 HIS Chi-restraints excluded: chain B residue 682 LEU Chi-restraints excluded: chain B residue 684 VAL Chi-restraints excluded: chain B residue 690 GLU Chi-restraints excluded: chain B residue 695 TYR Chi-restraints excluded: chain B residue 702 TRP Chi-restraints excluded: chain B residue 709 ASP Chi-restraints excluded: chain B residue 710 ASP Chi-restraints excluded: chain B residue 712 TYR Chi-restraints excluded: chain B residue 714 TYR Chi-restraints excluded: chain B residue 719 LEU Chi-restraints excluded: chain B residue 730 VAL Chi-restraints excluded: chain B residue 735 GLN Chi-restraints excluded: chain B residue 748 LEU Chi-restraints excluded: chain B residue 751 SER Chi-restraints excluded: chain B residue 752 VAL Chi-restraints excluded: chain B residue 754 SER Chi-restraints excluded: chain B residue 756 SER Chi-restraints excluded: chain B residue 760 ASN Chi-restraints excluded: chain B residue 771 PHE Chi-restraints excluded: chain B residue 783 PHE Chi-restraints excluded: chain B residue 784 SER Chi-restraints excluded: chain B residue 801 LYS Chi-restraints excluded: chain B residue 802 PHE Chi-restraints excluded: chain B residue 815 VAL Chi-restraints excluded: chain B residue 822 ARG Chi-restraints excluded: chain B residue 829 TYR Chi-restraints excluded: chain B residue 839 LEU Chi-restraints excluded: chain B residue 867 LEU Chi-restraints excluded: chain B residue 869 ARG Chi-restraints excluded: chain B residue 886 ARG Chi-restraints excluded: chain B residue 896 VAL Chi-restraints excluded: chain B residue 900 ASN Chi-restraints excluded: chain B residue 908 VAL Chi-restraints excluded: chain B residue 910 PHE Chi-restraints excluded: chain B residue 923 GLN Chi-restraints excluded: chain B residue 928 THR Chi-restraints excluded: chain B residue 948 ASP Chi-restraints excluded: chain B residue 960 MET Chi-restraints excluded: chain B residue 961 MET Chi-restraints excluded: chain B residue 971 ASP Chi-restraints excluded: chain B residue 972 LEU Chi-restraints excluded: chain B residue 974 HIS Chi-restraints excluded: chain B residue 978 THR Chi-restraints excluded: chain B residue 1036 ARG Chi-restraints excluded: chain B residue 1039 LEU Chi-restraints excluded: chain B residue 1045 THR Chi-restraints excluded: chain B residue 1054 GLU Chi-restraints excluded: chain B residue 1072 VAL Chi-restraints excluded: chain B residue 1076 ARG Chi-restraints excluded: chain B residue 1078 GLU Chi-restraints excluded: chain B residue 1081 TYR Chi-restraints excluded: chain B residue 1087 ARG Chi-restraints excluded: chain B residue 1093 GLU Chi-restraints excluded: chain B residue 1101 ARG Chi-restraints excluded: chain B residue 1108 GLU Chi-restraints excluded: chain B residue 1120 LEU Chi-restraints excluded: chain B residue 1127 HIS Chi-restraints excluded: chain B residue 1132 TRP Chi-restraints excluded: chain B residue 1133 HIS Chi-restraints excluded: chain B residue 1134 LEU Chi-restraints excluded: chain B residue 1139 PHE Chi-restraints excluded: chain B residue 1143 TRP Chi-restraints excluded: chain B residue 1155 LEU Chi-restraints excluded: chain B residue 1158 ASN Chi-restraints excluded: chain B residue 1160 ILE Chi-restraints excluded: chain B residue 1163 THR Chi-restraints excluded: chain B residue 1169 LEU Chi-restraints excluded: chain B residue 1172 ASP Chi-restraints excluded: chain B residue 1184 ILE Chi-restraints excluded: chain B residue 1191 VAL Chi-restraints excluded: chain B residue 1203 ASN Chi-restraints excluded: chain B residue 1209 SER Chi-restraints excluded: chain B residue 1219 LEU Chi-restraints excluded: chain B residue 1226 PHE Chi-restraints excluded: chain B residue 1235 THR Chi-restraints excluded: chain B residue 1240 LYS Chi-restraints excluded: chain B residue 1242 LEU Chi-restraints excluded: chain B residue 1244 GLN Chi-restraints excluded: chain B residue 1245 PHE Chi-restraints excluded: chain B residue 1248 VAL Chi-restraints excluded: chain B residue 1251 GLU Chi-restraints excluded: chain B residue 1254 HIS Chi-restraints excluded: chain B residue 1266 THR Chi-restraints excluded: chain B residue 1272 LEU Chi-restraints excluded: chain B residue 1590 GLN Chi-restraints excluded: chain B residue 1595 LEU Chi-restraints excluded: chain B residue 1597 VAL Chi-restraints excluded: chain B residue 1600 LEU Chi-restraints excluded: chain B residue 1601 MET Chi-restraints excluded: chain B residue 1605 TRP Chi-restraints excluded: chain B residue 1613 LEU Chi-restraints excluded: chain B residue 1636 MET Chi-restraints excluded: chain B residue 1639 LEU Chi-restraints excluded: chain B residue 1641 ILE Chi-restraints excluded: chain B residue 1648 MET Chi-restraints excluded: chain B residue 1649 ASP Chi-restraints excluded: chain B residue 1652 GLU Chi-restraints excluded: chain B residue 1654 SER Chi-restraints excluded: chain B residue 1657 LEU Chi-restraints excluded: chain B residue 1658 ASP Chi-restraints excluded: chain B residue 1661 ARG Chi-restraints excluded: chain B residue 1666 THR Chi-restraints excluded: chain B residue 1673 VAL Chi-restraints excluded: chain B residue 1679 ASN Chi-restraints excluded: chain B residue 1680 ARG Chi-restraints excluded: chain B residue 1686 CYS Chi-restraints excluded: chain B residue 1694 LEU Chi-restraints excluded: chain B residue 1695 LEU Chi-restraints excluded: chain B residue 1699 GLU Chi-restraints excluded: chain B residue 1700 ASP Chi-restraints excluded: chain B residue 1703 LEU Chi-restraints excluded: chain B residue 1707 LEU Chi-restraints excluded: chain B residue 1713 ASP Chi-restraints excluded: chain B residue 1720 LEU Chi-restraints excluded: chain B residue 1721 GLU Chi-restraints excluded: chain B residue 1731 LEU Chi-restraints excluded: chain B residue 1738 LEU Chi-restraints excluded: chain B residue 1739 THR Chi-restraints excluded: chain B residue 1743 ARG Chi-restraints excluded: chain B residue 1760 HIS Chi-restraints excluded: chain B residue 1768 THR Chi-restraints excluded: chain B residue 1770 SER Chi-restraints excluded: chain B residue 1772 ARG Chi-restraints excluded: chain B residue 1778 SER Chi-restraints excluded: chain B residue 1797 ARG Chi-restraints excluded: chain B residue 1798 LEU Chi-restraints excluded: chain B residue 1810 LYS Chi-restraints excluded: chain B residue 1813 ARG Chi-restraints excluded: chain B residue 1819 VAL Chi-restraints excluded: chain B residue 1839 VAL Chi-restraints excluded: chain B residue 1842 LEU Chi-restraints excluded: chain B residue 1848 LEU Chi-restraints excluded: chain B residue 1850 VAL Chi-restraints excluded: chain B residue 1853 ILE Chi-restraints excluded: chain B residue 1856 ASP Chi-restraints excluded: chain B residue 1857 GLU Chi-restraints excluded: chain B residue 1861 GLN Chi-restraints excluded: chain B residue 1863 LEU Chi-restraints excluded: chain B residue 1870 VAL Chi-restraints excluded: chain B residue 1928 GLN Chi-restraints excluded: chain B residue 1935 VAL Chi-restraints excluded: chain B residue 1939 MET Chi-restraints excluded: chain B residue 1942 LEU Chi-restraints excluded: chain B residue 1943 LEU Chi-restraints excluded: chain B residue 1947 CYS Chi-restraints excluded: chain B residue 1951 LEU Chi-restraints excluded: chain B residue 1958 LEU Chi-restraints excluded: chain B residue 1963 GLU Chi-restraints excluded: chain B residue 1966 VAL Chi-restraints excluded: chain B residue 1968 LYS Chi-restraints excluded: chain B residue 1976 ARG Chi-restraints excluded: chain B residue 1996 ARG Chi-restraints excluded: chain B residue 2030 ASP Chi-restraints excluded: chain B residue 2031 LEU Chi-restraints excluded: chain B residue 2034 PHE Chi-restraints excluded: chain B residue 2035 HIS Chi-restraints excluded: chain B residue 2094 LEU Chi-restraints excluded: chain B residue 2095 GLN Chi-restraints excluded: chain B residue 2098 VAL Chi-restraints excluded: chain B residue 2101 MET Chi-restraints excluded: chain B residue 2103 VAL Chi-restraints excluded: chain B residue 2104 ARG Chi-restraints excluded: chain B residue 2115 GLU Chi-restraints excluded: chain B residue 2117 VAL Chi-restraints excluded: chain B residue 2118 ARG Chi-restraints excluded: chain B residue 2120 MET Chi-restraints excluded: chain B residue 2122 SER Chi-restraints excluded: chain B residue 2125 HIS Chi-restraints excluded: chain B residue 2128 TYR Chi-restraints excluded: chain B residue 2138 LEU Chi-restraints excluded: chain B residue 2143 THR Chi-restraints excluded: chain B residue 2148 SER Chi-restraints excluded: chain B residue 2150 GLU Chi-restraints excluded: chain B residue 2155 LEU Chi-restraints excluded: chain B residue 2164 SER Chi-restraints excluded: chain B residue 2166 LEU Chi-restraints excluded: chain B residue 2169 GLN Chi-restraints excluded: chain B residue 2184 ASN Chi-restraints excluded: chain B residue 2185 ILE Chi-restraints excluded: chain B residue 2186 MET Chi-restraints excluded: chain B residue 2187 ASN Chi-restraints excluded: chain B residue 2188 ASN Chi-restraints excluded: chain B residue 2189 LYS Chi-restraints excluded: chain B residue 2197 LEU Chi-restraints excluded: chain B residue 2198 MET Chi-restraints excluded: chain B residue 2203 MET Chi-restraints excluded: chain B residue 2204 HIS Chi-restraints excluded: chain B residue 2207 VAL Chi-restraints excluded: chain B residue 2225 PHE Chi-restraints excluded: chain B residue 2228 MET Chi-restraints excluded: chain B residue 2229 VAL Chi-restraints excluded: chain B residue 2231 SER Chi-restraints excluded: chain B residue 2232 CYS Chi-restraints excluded: chain B residue 2237 CYS Chi-restraints excluded: chain B residue 2246 ASN Chi-restraints excluded: chain B residue 2248 ARG Chi-restraints excluded: chain B residue 2254 LEU Chi-restraints excluded: chain B residue 2256 TYR Chi-restraints excluded: chain B residue 2258 LEU Chi-restraints excluded: chain B residue 2260 ASN Chi-restraints excluded: chain B residue 2265 LEU Chi-restraints excluded: chain B residue 2275 VAL Chi-restraints excluded: chain B residue 2279 SER Chi-restraints excluded: chain B residue 2280 VAL Chi-restraints excluded: chain B residue 2291 GLN Chi-restraints excluded: chain B residue 2292 GLU Chi-restraints excluded: chain B residue 2298 VAL Chi-restraints excluded: chain B residue 2330 ARG Chi-restraints excluded: chain B residue 2334 PHE Chi-restraints excluded: chain B residue 2346 VAL Chi-restraints excluded: chain B residue 2348 GLU Chi-restraints excluded: chain B residue 2349 ASN Chi-restraints excluded: chain B residue 2353 VAL Chi-restraints excluded: chain B residue 2354 VAL Chi-restraints excluded: chain B residue 2357 LEU Chi-restraints excluded: chain B residue 2368 LEU Chi-restraints excluded: chain B residue 2376 LEU Chi-restraints excluded: chain B residue 2377 LEU Chi-restraints excluded: chain B residue 2380 ILE Chi-restraints excluded: chain B residue 2418 LEU Chi-restraints excluded: chain B residue 2432 LEU Chi-restraints excluded: chain B residue 2433 LEU Chi-restraints excluded: chain B residue 2449 GLU Chi-restraints excluded: chain B residue 2451 LEU Chi-restraints excluded: chain B residue 2454 ARG Chi-restraints excluded: chain B residue 2457 LEU Chi-restraints excluded: chain B residue 2460 LEU Chi-restraints excluded: chain B residue 2463 LEU Chi-restraints excluded: chain B residue 2472 LEU Chi-restraints excluded: chain B residue 2746 ILE Chi-restraints excluded: chain B residue 2756 ASN Chi-restraints excluded: chain B residue 2760 GLU Chi-restraints excluded: chain B residue 2773 ASN Chi-restraints excluded: chain B residue 2792 ARG Chi-restraints excluded: chain B residue 2796 THR Chi-restraints excluded: chain B residue 2809 ILE Chi-restraints excluded: chain B residue 2821 TRP Chi-restraints excluded: chain B residue 2827 ARG Chi-restraints excluded: chain B residue 2855 TYR Chi-restraints excluded: chain B residue 2856 ASN Chi-restraints excluded: chain B residue 2867 LEU Chi-restraints excluded: chain B residue 2881 ASN Chi-restraints excluded: chain B residue 2888 ARG Chi-restraints excluded: chain B residue 2889 LYS Chi-restraints excluded: chain B residue 2905 LEU Chi-restraints excluded: chain B residue 2906 VAL Chi-restraints excluded: chain B residue 2910 THR Chi-restraints excluded: chain B residue 2911 LEU Chi-restraints excluded: chain B residue 2935 TYR Chi-restraints excluded: chain B residue 2938 THR Chi-restraints excluded: chain B residue 3639 THR Chi-restraints excluded: chain B residue 3646 THR Chi-restraints excluded: chain B residue 3651 ASN Chi-restraints excluded: chain B residue 3652 MET Chi-restraints excluded: chain B residue 3657 TYR Chi-restraints excluded: chain B residue 3661 TRP Chi-restraints excluded: chain B residue 3665 GLU Chi-restraints excluded: chain B residue 3666 ASP Chi-restraints excluded: chain B residue 3669 PHE Chi-restraints excluded: chain B residue 3676 ASP Chi-restraints excluded: chain B residue 3679 LYS Chi-restraints excluded: chain B residue 3697 PRO Chi-restraints excluded: chain B residue 3698 LEU Chi-restraints excluded: chain B residue 3702 VAL Chi-restraints excluded: chain B residue 3708 THR Chi-restraints excluded: chain B residue 3711 THR Chi-restraints excluded: chain B residue 3714 SER Chi-restraints excluded: chain B residue 3717 ASP Chi-restraints excluded: chain B residue 3718 GLU Chi-restraints excluded: chain B residue 3720 TYR Chi-restraints excluded: chain B residue 3725 TYR Chi-restraints excluded: chain B residue 3727 ASP Chi-restraints excluded: chain B residue 3753 PHE Chi-restraints excluded: chain B residue 3763 LEU Chi-restraints excluded: chain B residue 3766 GLN Chi-restraints excluded: chain B residue 3773 ARG Chi-restraints excluded: chain B residue 3786 CYS Chi-restraints excluded: chain B residue 3787 LYS Chi-restraints excluded: chain B residue 3790 THR Chi-restraints excluded: chain B residue 3796 SER Chi-restraints excluded: chain B residue 3797 THR Chi-restraints excluded: chain B residue 3798 LEU Chi-restraints excluded: chain B residue 3802 ILE Chi-restraints excluded: chain B residue 3811 GLU Chi-restraints excluded: chain B residue 3816 MET Chi-restraints excluded: chain B residue 3817 LEU Chi-restraints excluded: chain B residue 3822 ASP Chi-restraints excluded: chain B residue 3828 PHE Chi-restraints excluded: chain B residue 3838 THR Chi-restraints excluded: chain B residue 3841 VAL Chi-restraints excluded: chain B residue 3843 ASP Chi-restraints excluded: chain B residue 3844 LEU Chi-restraints excluded: chain B residue 3847 PHE Chi-restraints excluded: chain B residue 3881 THR Chi-restraints excluded: chain B residue 3882 GLN Chi-restraints excluded: chain B residue 3883 ASP Chi-restraints excluded: chain B residue 3890 LEU Chi-restraints excluded: chain B residue 3891 LEU Chi-restraints excluded: chain B residue 3895 HIS Chi-restraints excluded: chain B residue 3900 GLN Chi-restraints excluded: chain B residue 3907 THR Chi-restraints excluded: chain B residue 3909 ASN Chi-restraints excluded: chain B residue 3913 ILE Chi-restraints excluded: chain B residue 3915 ILE Chi-restraints excluded: chain B residue 3916 ILE Chi-restraints excluded: chain B residue 3917 ILE Chi-restraints excluded: chain B residue 3920 VAL Chi-restraints excluded: chain B residue 3924 LEU Chi-restraints excluded: chain B residue 3927 GLN Chi-restraints excluded: chain B residue 3928 GLU Chi-restraints excluded: chain B residue 3929 SER Chi-restraints excluded: chain B residue 3931 SER Chi-restraints excluded: chain B residue 3932 ASP Chi-restraints excluded: chain B residue 3937 TYR Chi-restraints excluded: chain B residue 3944 GLU Chi-restraints excluded: chain B residue 3946 GLN Chi-restraints excluded: chain B residue 3948 LYS Chi-restraints excluded: chain B residue 3953 LYS Chi-restraints excluded: chain B residue 3957 VAL Chi-restraints excluded: chain B residue 3959 LYS Chi-restraints excluded: chain B residue 3964 SER Chi-restraints excluded: chain B residue 3970 GLN Chi-restraints excluded: chain B residue 3974 THR Chi-restraints excluded: chain B residue 3978 GLN Chi-restraints excluded: chain B residue 3979 SER Chi-restraints excluded: chain B residue 3982 HIS Chi-restraints excluded: chain B residue 3986 TRP Chi-restraints excluded: chain B residue 3987 ASP Chi-restraints excluded: chain B residue 3990 VAL Chi-restraints excluded: chain B residue 3996 PHE Chi-restraints excluded: chain B residue 4020 GLN Chi-restraints excluded: chain B residue 4022 ASP Chi-restraints excluded: chain B residue 4023 MET Chi-restraints excluded: chain B residue 4025 VAL Chi-restraints excluded: chain B residue 4034 ASN Chi-restraints excluded: chain B residue 4035 VAL Chi-restraints excluded: chain B residue 4036 VAL Chi-restraints excluded: chain B residue 4044 MET Chi-restraints excluded: chain B residue 4045 VAL Chi-restraints excluded: chain B residue 4046 ASP Chi-restraints excluded: chain B residue 4049 VAL Chi-restraints excluded: chain B residue 4055 VAL Chi-restraints excluded: chain B residue 4058 ILE Chi-restraints excluded: chain B residue 4059 LEU Chi-restraints excluded: chain B residue 4066 LEU Chi-restraints excluded: chain B residue 4070 ASP Chi-restraints excluded: chain B residue 4090 LYS Chi-restraints excluded: chain B residue 4095 LYS Chi-restraints excluded: chain B residue 4102 GLN Chi-restraints excluded: chain B residue 4109 GLN Chi-restraints excluded: chain B residue 4128 PHE Chi-restraints excluded: chain B residue 4139 ILE Chi-restraints excluded: chain B residue 4142 ASN Chi-restraints excluded: chain B residue 4143 VAL Chi-restraints excluded: chain B residue 4150 LEU Chi-restraints excluded: chain B residue 4151 SER Chi-restraints excluded: chain B residue 4157 ASP Chi-restraints excluded: chain B residue 4159 ARG Chi-restraints excluded: chain B residue 4160 LEU Chi-restraints excluded: chain B residue 4162 ASN Chi-restraints excluded: chain B residue 4164 LEU Chi-restraints excluded: chain B residue 4166 LEU Chi-restraints excluded: chain B residue 4171 LEU Chi-restraints excluded: chain B residue 4178 LEU Chi-restraints excluded: chain B residue 4180 ARG Chi-restraints excluded: chain B residue 4181 ILE Chi-restraints excluded: chain B residue 4190 ILE Chi-restraints excluded: chain B residue 4192 ARG Chi-restraints excluded: chain B residue 4195 PHE Chi-restraints excluded: chain B residue 4200 THR Chi-restraints excluded: chain B residue 4205 TRP Chi-restraints excluded: chain B residue 4206 GLU Chi-restraints excluded: chain B residue 4212 GLU Chi-restraints excluded: chain B residue 4231 MET Chi-restraints excluded: chain B residue 4237 PHE Chi-restraints excluded: chain B residue 4238 CYS Chi-restraints excluded: chain B residue 4244 GLU Chi-restraints excluded: chain B residue 4245 MET Chi-restraints excluded: chain B residue 4250 GLN Chi-restraints excluded: chain B residue 4251 ILE Chi-restraints excluded: chain B residue 4252 SER Chi-restraints excluded: chain B residue 4546 VAL Chi-restraints excluded: chain B residue 4547 GLN Chi-restraints excluded: chain B residue 4549 VAL Chi-restraints excluded: chain B residue 4558 ASN Chi-restraints excluded: chain B residue 4559 PHE Chi-restraints excluded: chain B residue 4565 LEU Chi-restraints excluded: chain B residue 4571 PHE Chi-restraints excluded: chain B residue 4573 ILE Chi-restraints excluded: chain B residue 4576 ILE Chi-restraints excluded: chain B residue 4582 VAL Chi-restraints excluded: chain B residue 4630 TYR Chi-restraints excluded: chain B residue 4631 PHE Chi-restraints excluded: chain B residue 4632 LEU Chi-restraints excluded: chain B residue 4633 GLU Chi-restraints excluded: chain B residue 4635 SER Chi-restraints excluded: chain B residue 4638 TYR Chi-restraints excluded: chain B residue 4643 LEU Chi-restraints excluded: chain B residue 4646 LEU Chi-restraints excluded: chain B residue 4648 LEU Chi-restraints excluded: chain B residue 4649 LEU Chi-restraints excluded: chain B residue 4651 THR Chi-restraints excluded: chain B residue 4652 LEU Chi-restraints excluded: chain B residue 4653 VAL Chi-restraints excluded: chain B residue 4656 LEU Chi-restraints excluded: chain B residue 4657 CYS Chi-restraints excluded: chain B residue 4663 CYS Chi-restraints excluded: chain B residue 4666 VAL Chi-restraints excluded: chain B residue 4668 LEU Chi-restraints excluded: chain B residue 4674 GLU Chi-restraints excluded: chain B residue 4676 GLU Chi-restraints excluded: chain B residue 4677 LEU Chi-restraints excluded: chain B residue 4682 GLU Chi-restraints excluded: chain B residue 4684 ASP Chi-restraints excluded: chain B residue 4686 LEU Chi-restraints excluded: chain B residue 4688 ILE Chi-restraints excluded: chain B residue 4701 TRP Chi-restraints excluded: chain B residue 4710 SER Chi-restraints excluded: chain B residue 4723 LYS Chi-restraints excluded: chain B residue 4727 LYS Chi-restraints excluded: chain B residue 4731 ILE Chi-restraints excluded: chain B residue 4739 GLU Chi-restraints excluded: chain B residue 4747 SER Chi-restraints excluded: chain B residue 4770 SER Chi-restraints excluded: chain B residue 4771 ILE Chi-restraints excluded: chain B residue 4774 LYS Chi-restraints excluded: chain B residue 4777 ILE Chi-restraints excluded: chain B residue 4780 PHE Chi-restraints excluded: chain B residue 4783 ILE Chi-restraints excluded: chain B residue 4786 ASP Chi-restraints excluded: chain B residue 4791 TYR Chi-restraints excluded: chain B residue 4794 TRP Chi-restraints excluded: chain B residue 4797 VAL Chi-restraints excluded: chain B residue 4798 MET Chi-restraints excluded: chain B residue 4800 LEU Chi-restraints excluded: chain B residue 4807 PHE Chi-restraints excluded: chain B residue 4814 LEU Chi-restraints excluded: chain B residue 4818 MET Chi-restraints excluded: chain B residue 4822 THR Chi-restraints excluded: chain B residue 4827 LEU Chi-restraints excluded: chain B residue 4830 VAL Chi-restraints excluded: chain B residue 4836 GLN Chi-restraints excluded: chain B residue 4838 VAL Chi-restraints excluded: chain B residue 4840 THR Chi-restraints excluded: chain B residue 4849 TYR Chi-restraints excluded: chain B residue 4852 THR Chi-restraints excluded: chain B residue 4854 VAL Chi-restraints excluded: chain B residue 4864 ASN Chi-restraints excluded: chain B residue 4867 GLU Chi-restraints excluded: chain B residue 4877 ASP Chi-restraints excluded: chain B residue 4901 ILE Chi-restraints excluded: chain B residue 4904 PRO Chi-restraints excluded: chain B residue 4913 ARG Chi-restraints excluded: chain B residue 4915 VAL Chi-restraints excluded: chain B residue 4918 ILE Chi-restraints excluded: chain B residue 4919 THR Chi-restraints excluded: chain B residue 4920 PHE Chi-restraints excluded: chain B residue 4921 PHE Chi-restraints excluded: chain B residue 4931 ILE Chi-restraints excluded: chain B residue 4943 LEU Chi-restraints excluded: chain B residue 4945 ASP Chi-restraints excluded: chain B residue 4950 VAL Chi-restraints excluded: chain B residue 4954 MET Chi-restraints excluded: chain B residue 4960 ILE Chi-restraints excluded: chain B residue 4966 ASP Chi-restraints excluded: chain B residue 4976 GLU Chi-restraints excluded: chain B residue 4983 HIS Chi-restraints excluded: chain B residue 4985 LEU Chi-restraints excluded: chain B residue 4990 PHE Chi-restraints excluded: chain B residue 4994 TYR Chi-restraints excluded: chain B residue 4996 ILE Chi-restraints excluded: chain B residue 5008 SER Chi-restraints excluded: chain B residue 5010 VAL Chi-restraints excluded: chain B residue 5013 MET Chi-restraints excluded: chain B residue 5016 GLU Chi-restraints excluded: chain B residue 5020 ASP Chi-restraints excluded: chain B residue 5027 CYS Chi-restraints excluded: chain C residue 14 LEU Chi-restraints excluded: chain C residue 15 ARG Chi-restraints excluded: chain C residue 16 THR Chi-restraints excluded: chain C residue 17 ASP Chi-restraints excluded: chain C residue 18 ASP Chi-restraints excluded: chain C residue 19 GLU Chi-restraints excluded: chain C residue 29 LEU Chi-restraints excluded: chain C residue 32 GLN Chi-restraints excluded: chain C residue 35 LEU Chi-restraints excluded: chain C residue 40 GLU Chi-restraints excluded: chain C residue 44 ASN Chi-restraints excluded: chain C residue 49 LEU Chi-restraints excluded: chain C residue 66 CYS Chi-restraints excluded: chain C residue 67 PHE Chi-restraints excluded: chain C residue 69 LEU Chi-restraints excluded: chain C residue 70 GLU Chi-restraints excluded: chain C residue 71 GLN Chi-restraints excluded: chain C residue 73 LEU Chi-restraints excluded: chain C residue 74 SER Chi-restraints excluded: chain C residue 75 VAL Chi-restraints excluded: chain C residue 76 ARG Chi-restraints excluded: chain C residue 78 LEU Chi-restraints excluded: chain C residue 81 MET Chi-restraints excluded: chain C residue 100 THR Chi-restraints excluded: chain C residue 109 LEU Chi-restraints excluded: chain C residue 111 HIS Chi-restraints excluded: chain C residue 113 HIS Chi-restraints excluded: chain C residue 121 LEU Chi-restraints excluded: chain C residue 122 THR Chi-restraints excluded: chain C residue 123 THR Chi-restraints excluded: chain C residue 124 SER Chi-restraints excluded: chain C residue 133 PHE Chi-restraints excluded: chain C residue 134 ASP Chi-restraints excluded: chain C residue 135 VAL Chi-restraints excluded: chain C residue 142 THR Chi-restraints excluded: chain C residue 144 GLU Chi-restraints excluded: chain C residue 149 THR Chi-restraints excluded: chain C residue 152 PRO Chi-restraints excluded: chain C residue 156 GLN Chi-restraints excluded: chain C residue 163 VAL Chi-restraints excluded: chain C residue 165 VAL Chi-restraints excluded: chain C residue 169 LEU Chi-restraints excluded: chain C residue 173 SER Chi-restraints excluded: chain C residue 179 TYR Chi-restraints excluded: chain C residue 181 HIS Chi-restraints excluded: chain C residue 183 SER Chi-restraints excluded: chain C residue 189 LEU Chi-restraints excluded: chain C residue 191 VAL Chi-restraints excluded: chain C residue 205 ILE Chi-restraints excluded: chain C residue 206 CYS Chi-restraints excluded: chain C residue 208 CYS Chi-restraints excluded: chain C residue 210 GLU Chi-restraints excluded: chain C residue 211 GLU Chi-restraints excluded: chain C residue 220 LEU Chi-restraints excluded: chain C residue 222 LEU Chi-restraints excluded: chain C residue 238 SER Chi-restraints excluded: chain C residue 240 ASP Chi-restraints excluded: chain C residue 244 LEU Chi-restraints excluded: chain C residue 246 TYR Chi-restraints excluded: chain C residue 247 TYR Chi-restraints excluded: chain C residue 257 ARG Chi-restraints excluded: chain C residue 262 LEU Chi-restraints excluded: chain C residue 270 SER Chi-restraints excluded: chain C residue 282 ILE Chi-restraints excluded: chain C residue 283 ARG Chi-restraints excluded: chain C residue 286 THR Chi-restraints excluded: chain C residue 293 LEU Chi-restraints excluded: chain C residue 294 THR Chi-restraints excluded: chain C residue 299 LEU Chi-restraints excluded: chain C residue 301 VAL Chi-restraints excluded: chain C residue 312 THR Chi-restraints excluded: chain C residue 313 SER Chi-restraints excluded: chain C residue 315 CYS Chi-restraints excluded: chain C residue 339 ILE Chi-restraints excluded: chain C residue 343 GLU Chi-restraints excluded: chain C residue 357 LEU Chi-restraints excluded: chain C residue 359 TYR Chi-restraints excluded: chain C residue 373 LYS Chi-restraints excluded: chain C residue 381 GLU Chi-restraints excluded: chain C residue 390 LEU Chi-restraints excluded: chain C residue 396 GLU Chi-restraints excluded: chain C residue 397 GLU Chi-restraints excluded: chain C residue 398 SER Chi-restraints excluded: chain C residue 399 GLN Chi-restraints excluded: chain C residue 403 MET Chi-restraints excluded: chain C residue 404 ILE Chi-restraints excluded: chain C residue 410 LEU Chi-restraints excluded: chain C residue 415 ILE Chi-restraints excluded: chain C residue 420 SER Chi-restraints excluded: chain C residue 438 ILE Chi-restraints excluded: chain C residue 439 GLU Chi-restraints excluded: chain C residue 442 ILE Chi-restraints excluded: chain C residue 447 ASP Chi-restraints excluded: chain C residue 452 PHE Chi-restraints excluded: chain C residue 469 ARG Chi-restraints excluded: chain C residue 483 MET Chi-restraints excluded: chain C residue 485 SER Chi-restraints excluded: chain C residue 486 LEU Chi-restraints excluded: chain C residue 487 VAL Chi-restraints excluded: chain C residue 488 LEU Chi-restraints excluded: chain C residue 491 ILE Chi-restraints excluded: chain C residue 497 TYR Chi-restraints excluded: chain C residue 506 TYR Chi-restraints excluded: chain C residue 510 GLU Chi-restraints excluded: chain C residue 513 GLU Chi-restraints excluded: chain C residue 514 SER Chi-restraints excluded: chain C residue 517 GLU Chi-restraints excluded: chain C residue 519 VAL Chi-restraints excluded: chain C residue 522 LEU Chi-restraints excluded: chain C residue 526 LEU Chi-restraints excluded: chain C residue 529 LEU Chi-restraints excluded: chain C residue 530 ILE Chi-restraints excluded: chain C residue 533 ASN Chi-restraints excluded: chain C residue 536 ASN Chi-restraints excluded: chain C residue 539 LEU Chi-restraints excluded: chain C residue 540 PHE Chi-restraints excluded: chain C residue 541 SER Chi-restraints excluded: chain C residue 547 VAL Chi-restraints excluded: chain C residue 561 LEU Chi-restraints excluded: chain C residue 563 VAL Chi-restraints excluded: chain C residue 569 ILE Chi-restraints excluded: chain C residue 575 LEU Chi-restraints excluded: chain C residue 579 GLN Chi-restraints excluded: chain C residue 580 GLU Chi-restraints excluded: chain C residue 586 ILE Chi-restraints excluded: chain C residue 590 LEU Chi-restraints excluded: chain C residue 591 ASP Chi-restraints excluded: chain C residue 599 VAL Chi-restraints excluded: chain C residue 602 VAL Chi-restraints excluded: chain C residue 605 SER Chi-restraints excluded: chain C residue 609 CYS Chi-restraints excluded: chain C residue 614 VAL Chi-restraints excluded: chain C residue 621 ILE Chi-restraints excluded: chain C residue 622 THR Chi-restraints excluded: chain C residue 631 LEU Chi-restraints excluded: chain C residue 635 THR Chi-restraints excluded: chain C residue 638 ILE Chi-restraints excluded: chain C residue 642 THR Chi-restraints excluded: chain C residue 661 LYS Chi-restraints excluded: chain C residue 663 TYR Chi-restraints excluded: chain C residue 665 GLU Chi-restraints excluded: chain C residue 669 ASP Chi-restraints excluded: chain C residue 672 VAL Chi-restraints excluded: chain C residue 676 THR Chi-restraints excluded: chain C residue 681 HIS Chi-restraints excluded: chain C residue 682 LEU Chi-restraints excluded: chain C residue 684 VAL Chi-restraints excluded: chain C residue 690 GLU Chi-restraints excluded: chain C residue 695 TYR Chi-restraints excluded: chain C residue 702 TRP Chi-restraints excluded: chain C residue 709 ASP Chi-restraints excluded: chain C residue 710 ASP Chi-restraints excluded: chain C residue 712 TYR Chi-restraints excluded: chain C residue 714 TYR Chi-restraints excluded: chain C residue 719 LEU Chi-restraints excluded: chain C residue 735 GLN Chi-restraints excluded: chain C residue 737 LEU Chi-restraints excluded: chain C residue 748 LEU Chi-restraints excluded: chain C residue 751 SER Chi-restraints excluded: chain C residue 752 VAL Chi-restraints excluded: chain C residue 754 SER Chi-restraints excluded: chain C residue 756 SER Chi-restraints excluded: chain C residue 757 PHE Chi-restraints excluded: chain C residue 760 ASN Chi-restraints excluded: chain C residue 771 PHE Chi-restraints excluded: chain C residue 783 PHE Chi-restraints excluded: chain C residue 784 SER Chi-restraints excluded: chain C residue 801 LYS Chi-restraints excluded: chain C residue 802 PHE Chi-restraints excluded: chain C residue 815 VAL Chi-restraints excluded: chain C residue 822 ARG Chi-restraints excluded: chain C residue 829 TYR Chi-restraints excluded: chain C residue 839 LEU Chi-restraints excluded: chain C residue 867 LEU Chi-restraints excluded: chain C residue 869 ARG Chi-restraints excluded: chain C residue 886 ARG Chi-restraints excluded: chain C residue 896 VAL Chi-restraints excluded: chain C residue 900 ASN Chi-restraints excluded: chain C residue 908 VAL Chi-restraints excluded: chain C residue 910 PHE Chi-restraints excluded: chain C residue 923 GLN Chi-restraints excluded: chain C residue 928 THR Chi-restraints excluded: chain C residue 948 ASP Chi-restraints excluded: chain C residue 960 MET Chi-restraints excluded: chain C residue 961 MET Chi-restraints excluded: chain C residue 971 ASP Chi-restraints excluded: chain C residue 972 LEU Chi-restraints excluded: chain C residue 974 HIS Chi-restraints excluded: chain C residue 978 THR Chi-restraints excluded: chain C residue 1036 ARG Chi-restraints excluded: chain C residue 1039 LEU Chi-restraints excluded: chain C residue 1045 THR Chi-restraints excluded: chain C residue 1054 GLU Chi-restraints excluded: chain C residue 1072 VAL Chi-restraints excluded: chain C residue 1076 ARG Chi-restraints excluded: chain C residue 1078 GLU Chi-restraints excluded: chain C residue 1081 TYR Chi-restraints excluded: chain C residue 1087 ARG Chi-restraints excluded: chain C residue 1093 GLU Chi-restraints excluded: chain C residue 1101 ARG Chi-restraints excluded: chain C residue 1108 GLU Chi-restraints excluded: chain C residue 1120 LEU Chi-restraints excluded: chain C residue 1127 HIS Chi-restraints excluded: chain C residue 1132 TRP Chi-restraints excluded: chain C residue 1133 HIS Chi-restraints excluded: chain C residue 1134 LEU Chi-restraints excluded: chain C residue 1139 PHE Chi-restraints excluded: chain C residue 1143 TRP Chi-restraints excluded: chain C residue 1155 LEU Chi-restraints excluded: chain C residue 1158 ASN Chi-restraints excluded: chain C residue 1160 ILE Chi-restraints excluded: chain C residue 1163 THR Chi-restraints excluded: chain C residue 1169 LEU Chi-restraints excluded: chain C residue 1172 ASP Chi-restraints excluded: chain C residue 1184 ILE Chi-restraints excluded: chain C residue 1191 VAL Chi-restraints excluded: chain C residue 1203 ASN Chi-restraints excluded: chain C residue 1204 LEU Chi-restraints excluded: chain C residue 1209 SER Chi-restraints excluded: chain C residue 1219 LEU Chi-restraints excluded: chain C residue 1226 PHE Chi-restraints excluded: chain C residue 1235 THR Chi-restraints excluded: chain C residue 1240 LYS Chi-restraints excluded: chain C residue 1242 LEU Chi-restraints excluded: chain C residue 1244 GLN Chi-restraints excluded: chain C residue 1245 PHE Chi-restraints excluded: chain C residue 1248 VAL Chi-restraints excluded: chain C residue 1251 GLU Chi-restraints excluded: chain C residue 1254 HIS Chi-restraints excluded: chain C residue 1266 THR Chi-restraints excluded: chain C residue 1272 LEU Chi-restraints excluded: chain C residue 1590 GLN Chi-restraints excluded: chain C residue 1595 LEU Chi-restraints excluded: chain C residue 1597 VAL Chi-restraints excluded: chain C residue 1600 LEU Chi-restraints excluded: chain C residue 1601 MET Chi-restraints excluded: chain C residue 1605 TRP Chi-restraints excluded: chain C residue 1613 LEU Chi-restraints excluded: chain C residue 1636 MET Chi-restraints excluded: chain C residue 1639 LEU Chi-restraints excluded: chain C residue 1641 ILE Chi-restraints excluded: chain C residue 1648 MET Chi-restraints excluded: chain C residue 1649 ASP Chi-restraints excluded: chain C residue 1652 GLU Chi-restraints excluded: chain C residue 1654 SER Chi-restraints excluded: chain C residue 1657 LEU Chi-restraints excluded: chain C residue 1658 ASP Chi-restraints excluded: chain C residue 1661 ARG Chi-restraints excluded: chain C residue 1666 THR Chi-restraints excluded: chain C residue 1673 VAL Chi-restraints excluded: chain C residue 1679 ASN Chi-restraints excluded: chain C residue 1680 ARG Chi-restraints excluded: chain C residue 1686 CYS Chi-restraints excluded: chain C residue 1694 LEU Chi-restraints excluded: chain C residue 1695 LEU Chi-restraints excluded: chain C residue 1699 GLU Chi-restraints excluded: chain C residue 1700 ASP Chi-restraints excluded: chain C residue 1703 LEU Chi-restraints excluded: chain C residue 1707 LEU Chi-restraints excluded: chain C residue 1713 ASP Chi-restraints excluded: chain C residue 1720 LEU Chi-restraints excluded: chain C residue 1721 GLU Chi-restraints excluded: chain C residue 1731 LEU Chi-restraints excluded: chain C residue 1738 LEU Chi-restraints excluded: chain C residue 1739 THR Chi-restraints excluded: chain C residue 1743 ARG Chi-restraints excluded: chain C residue 1760 HIS Chi-restraints excluded: chain C residue 1768 THR Chi-restraints excluded: chain C residue 1770 SER Chi-restraints excluded: chain C residue 1772 ARG Chi-restraints excluded: chain C residue 1778 SER Chi-restraints excluded: chain C residue 1797 ARG Chi-restraints excluded: chain C residue 1798 LEU Chi-restraints excluded: chain C residue 1810 LYS Chi-restraints excluded: chain C residue 1813 ARG Chi-restraints excluded: chain C residue 1819 VAL Chi-restraints excluded: chain C residue 1839 VAL Chi-restraints excluded: chain C residue 1842 LEU Chi-restraints excluded: chain C residue 1848 LEU Chi-restraints excluded: chain C residue 1850 VAL Chi-restraints excluded: chain C residue 1853 ILE Chi-restraints excluded: chain C residue 1856 ASP Chi-restraints excluded: chain C residue 1857 GLU Chi-restraints excluded: chain C residue 1861 GLN Chi-restraints excluded: chain C residue 1863 LEU Chi-restraints excluded: chain C residue 1870 VAL Chi-restraints excluded: chain C residue 1928 GLN Chi-restraints excluded: chain C residue 1935 VAL Chi-restraints excluded: chain C residue 1939 MET Chi-restraints excluded: chain C residue 1942 LEU Chi-restraints excluded: chain C residue 1943 LEU Chi-restraints excluded: chain C residue 1947 CYS Chi-restraints excluded: chain C residue 1951 LEU Chi-restraints excluded: chain C residue 1958 LEU Chi-restraints excluded: chain C residue 1963 GLU Chi-restraints excluded: chain C residue 1966 VAL Chi-restraints excluded: chain C residue 1968 LYS Chi-restraints excluded: chain C residue 1976 ARG Chi-restraints excluded: chain C residue 1996 ARG Chi-restraints excluded: chain C residue 2011 HIS Chi-restraints excluded: chain C residue 2030 ASP Chi-restraints excluded: chain C residue 2031 LEU Chi-restraints excluded: chain C residue 2034 PHE Chi-restraints excluded: chain C residue 2035 HIS Chi-restraints excluded: chain C residue 2095 GLN Chi-restraints excluded: chain C residue 2098 VAL Chi-restraints excluded: chain C residue 2101 MET Chi-restraints excluded: chain C residue 2103 VAL Chi-restraints excluded: chain C residue 2104 ARG Chi-restraints excluded: chain C residue 2115 GLU Chi-restraints excluded: chain C residue 2117 VAL Chi-restraints excluded: chain C residue 2118 ARG Chi-restraints excluded: chain C residue 2120 MET Chi-restraints excluded: chain C residue 2122 SER Chi-restraints excluded: chain C residue 2125 HIS Chi-restraints excluded: chain C residue 2128 TYR Chi-restraints excluded: chain C residue 2138 LEU Chi-restraints excluded: chain C residue 2143 THR Chi-restraints excluded: chain C residue 2148 SER Chi-restraints excluded: chain C residue 2150 GLU Chi-restraints excluded: chain C residue 2155 LEU Chi-restraints excluded: chain C residue 2164 SER Chi-restraints excluded: chain C residue 2166 LEU Chi-restraints excluded: chain C residue 2169 GLN Chi-restraints excluded: chain C residue 2184 ASN Chi-restraints excluded: chain C residue 2185 ILE Chi-restraints excluded: chain C residue 2186 MET Chi-restraints excluded: chain C residue 2187 ASN Chi-restraints excluded: chain C residue 2189 LYS Chi-restraints excluded: chain C residue 2203 MET Chi-restraints excluded: chain C residue 2204 HIS Chi-restraints excluded: chain C residue 2207 VAL Chi-restraints excluded: chain C residue 2225 PHE Chi-restraints excluded: chain C residue 2228 MET Chi-restraints excluded: chain C residue 2229 VAL Chi-restraints excluded: chain C residue 2231 SER Chi-restraints excluded: chain C residue 2232 CYS Chi-restraints excluded: chain C residue 2237 CYS Chi-restraints excluded: chain C residue 2245 GLN Chi-restraints excluded: chain C residue 2246 ASN Chi-restraints excluded: chain C residue 2251 PHE Chi-restraints excluded: chain C residue 2254 LEU Chi-restraints excluded: chain C residue 2256 TYR Chi-restraints excluded: chain C residue 2258 LEU Chi-restraints excluded: chain C residue 2260 ASN Chi-restraints excluded: chain C residue 2265 LEU Chi-restraints excluded: chain C residue 2275 VAL Chi-restraints excluded: chain C residue 2279 SER Chi-restraints excluded: chain C residue 2280 VAL Chi-restraints excluded: chain C residue 2291 GLN Chi-restraints excluded: chain C residue 2292 GLU Chi-restraints excluded: chain C residue 2298 VAL Chi-restraints excluded: chain C residue 2330 ARG Chi-restraints excluded: chain C residue 2334 PHE Chi-restraints excluded: chain C residue 2346 VAL Chi-restraints excluded: chain C residue 2348 GLU Chi-restraints excluded: chain C residue 2349 ASN Chi-restraints excluded: chain C residue 2353 VAL Chi-restraints excluded: chain C residue 2354 VAL Chi-restraints excluded: chain C residue 2357 LEU Chi-restraints excluded: chain C residue 2368 LEU Chi-restraints excluded: chain C residue 2376 LEU Chi-restraints excluded: chain C residue 2377 LEU Chi-restraints excluded: chain C residue 2380 ILE Chi-restraints excluded: chain C residue 2418 LEU Chi-restraints excluded: chain C residue 2432 LEU Chi-restraints excluded: chain C residue 2433 LEU Chi-restraints excluded: chain C residue 2449 GLU Chi-restraints excluded: chain C residue 2451 LEU Chi-restraints excluded: chain C residue 2454 ARG Chi-restraints excluded: chain C residue 2457 LEU Chi-restraints excluded: chain C residue 2460 LEU Chi-restraints excluded: chain C residue 2463 LEU Chi-restraints excluded: chain C residue 2472 LEU Chi-restraints excluded: chain C residue 2746 ILE Chi-restraints excluded: chain C residue 2756 ASN Chi-restraints excluded: chain C residue 2760 GLU Chi-restraints excluded: chain C residue 2773 ASN Chi-restraints excluded: chain C residue 2792 ARG Chi-restraints excluded: chain C residue 2796 THR Chi-restraints excluded: chain C residue 2811 GLU Chi-restraints excluded: chain C residue 2816 MET Chi-restraints excluded: chain C residue 2821 TRP Chi-restraints excluded: chain C residue 2827 ARG Chi-restraints excluded: chain C residue 2855 TYR Chi-restraints excluded: chain C residue 2856 ASN Chi-restraints excluded: chain C residue 2867 LEU Chi-restraints excluded: chain C residue 2881 ASN Chi-restraints excluded: chain C residue 2888 ARG Chi-restraints excluded: chain C residue 2889 LYS Chi-restraints excluded: chain C residue 2905 LEU Chi-restraints excluded: chain C residue 2906 VAL Chi-restraints excluded: chain C residue 2910 THR Chi-restraints excluded: chain C residue 2911 LEU Chi-restraints excluded: chain C residue 2935 TYR Chi-restraints excluded: chain C residue 2938 THR Chi-restraints excluded: chain C residue 3639 THR Chi-restraints excluded: chain C residue 3646 THR Chi-restraints excluded: chain C residue 3651 ASN Chi-restraints excluded: chain C residue 3652 MET Chi-restraints excluded: chain C residue 3657 TYR Chi-restraints excluded: chain C residue 3661 TRP Chi-restraints excluded: chain C residue 3665 GLU Chi-restraints excluded: chain C residue 3666 ASP Chi-restraints excluded: chain C residue 3669 PHE Chi-restraints excluded: chain C residue 3676 ASP Chi-restraints excluded: chain C residue 3679 LYS Chi-restraints excluded: chain C residue 3697 PRO Chi-restraints excluded: chain C residue 3698 LEU Chi-restraints excluded: chain C residue 3702 VAL Chi-restraints excluded: chain C residue 3708 THR Chi-restraints excluded: chain C residue 3711 THR Chi-restraints excluded: chain C residue 3714 SER Chi-restraints excluded: chain C residue 3717 ASP Chi-restraints excluded: chain C residue 3720 TYR Chi-restraints excluded: chain C residue 3725 TYR Chi-restraints excluded: chain C residue 3727 ASP Chi-restraints excluded: chain C residue 3753 PHE Chi-restraints excluded: chain C residue 3759 GLU Chi-restraints excluded: chain C residue 3763 LEU Chi-restraints excluded: chain C residue 3766 GLN Chi-restraints excluded: chain C residue 3773 ARG Chi-restraints excluded: chain C residue 3786 CYS Chi-restraints excluded: chain C residue 3787 LYS Chi-restraints excluded: chain C residue 3790 THR Chi-restraints excluded: chain C residue 3796 SER Chi-restraints excluded: chain C residue 3797 THR Chi-restraints excluded: chain C residue 3798 LEU Chi-restraints excluded: chain C residue 3802 ILE Chi-restraints excluded: chain C residue 3811 GLU Chi-restraints excluded: chain C residue 3816 MET Chi-restraints excluded: chain C residue 3817 LEU Chi-restraints excluded: chain C residue 3822 ASP Chi-restraints excluded: chain C residue 3828 PHE Chi-restraints excluded: chain C residue 3838 THR Chi-restraints excluded: chain C residue 3843 ASP Chi-restraints excluded: chain C residue 3844 LEU Chi-restraints excluded: chain C residue 3847 PHE Chi-restraints excluded: chain C residue 3881 THR Chi-restraints excluded: chain C residue 3882 GLN Chi-restraints excluded: chain C residue 3883 ASP Chi-restraints excluded: chain C residue 3890 LEU Chi-restraints excluded: chain C residue 3891 LEU Chi-restraints excluded: chain C residue 3895 HIS Chi-restraints excluded: chain C residue 3900 GLN Chi-restraints excluded: chain C residue 3907 THR Chi-restraints excluded: chain C residue 3909 ASN Chi-restraints excluded: chain C residue 3913 ILE Chi-restraints excluded: chain C residue 3915 ILE Chi-restraints excluded: chain C residue 3916 ILE Chi-restraints excluded: chain C residue 3917 ILE Chi-restraints excluded: chain C residue 3920 VAL Chi-restraints excluded: chain C residue 3924 LEU Chi-restraints excluded: chain C residue 3927 GLN Chi-restraints excluded: chain C residue 3928 GLU Chi-restraints excluded: chain C residue 3929 SER Chi-restraints excluded: chain C residue 3931 SER Chi-restraints excluded: chain C residue 3932 ASP Chi-restraints excluded: chain C residue 3937 TYR Chi-restraints excluded: chain C residue 3944 GLU Chi-restraints excluded: chain C residue 3946 GLN Chi-restraints excluded: chain C residue 3948 LYS Chi-restraints excluded: chain C residue 3953 LYS Chi-restraints excluded: chain C residue 3957 VAL Chi-restraints excluded: chain C residue 3959 LYS Chi-restraints excluded: chain C residue 3964 SER Chi-restraints excluded: chain C residue 3974 THR Chi-restraints excluded: chain C residue 3978 GLN Chi-restraints excluded: chain C residue 3979 SER Chi-restraints excluded: chain C residue 3982 HIS Chi-restraints excluded: chain C residue 3986 TRP Chi-restraints excluded: chain C residue 3987 ASP Chi-restraints excluded: chain C residue 3990 VAL Chi-restraints excluded: chain C residue 3996 PHE Chi-restraints excluded: chain C residue 4022 ASP Chi-restraints excluded: chain C residue 4023 MET Chi-restraints excluded: chain C residue 4025 VAL Chi-restraints excluded: chain C residue 4035 VAL Chi-restraints excluded: chain C residue 4036 VAL Chi-restraints excluded: chain C residue 4044 MET Chi-restraints excluded: chain C residue 4045 VAL Chi-restraints excluded: chain C residue 4046 ASP Chi-restraints excluded: chain C residue 4049 VAL Chi-restraints excluded: chain C residue 4055 VAL Chi-restraints excluded: chain C residue 4058 ILE Chi-restraints excluded: chain C residue 4059 LEU Chi-restraints excluded: chain C residue 4063 ASP Chi-restraints excluded: chain C residue 4066 LEU Chi-restraints excluded: chain C residue 4070 ASP Chi-restraints excluded: chain C residue 4088 ILE Chi-restraints excluded: chain C residue 4090 LYS Chi-restraints excluded: chain C residue 4095 LYS Chi-restraints excluded: chain C residue 4102 GLN Chi-restraints excluded: chain C residue 4109 GLN Chi-restraints excluded: chain C residue 4128 PHE Chi-restraints excluded: chain C residue 4139 ILE Chi-restraints excluded: chain C residue 4142 ASN Chi-restraints excluded: chain C residue 4143 VAL Chi-restraints excluded: chain C residue 4150 LEU Chi-restraints excluded: chain C residue 4151 SER Chi-restraints excluded: chain C residue 4157 ASP Chi-restraints excluded: chain C residue 4159 ARG Chi-restraints excluded: chain C residue 4160 LEU Chi-restraints excluded: chain C residue 4162 ASN Chi-restraints excluded: chain C residue 4164 LEU Chi-restraints excluded: chain C residue 4166 LEU Chi-restraints excluded: chain C residue 4171 LEU Chi-restraints excluded: chain C residue 4178 LEU Chi-restraints excluded: chain C residue 4180 ARG Chi-restraints excluded: chain C residue 4181 ILE Chi-restraints excluded: chain C residue 4190 ILE Chi-restraints excluded: chain C residue 4192 ARG Chi-restraints excluded: chain C residue 4195 PHE Chi-restraints excluded: chain C residue 4200 THR Chi-restraints excluded: chain C residue 4205 TRP Chi-restraints excluded: chain C residue 4206 GLU Chi-restraints excluded: chain C residue 4212 GLU Chi-restraints excluded: chain C residue 4231 MET Chi-restraints excluded: chain C residue 4237 PHE Chi-restraints excluded: chain C residue 4238 CYS Chi-restraints excluded: chain C residue 4244 GLU Chi-restraints excluded: chain C residue 4250 GLN Chi-restraints excluded: chain C residue 4251 ILE Chi-restraints excluded: chain C residue 4252 SER Chi-restraints excluded: chain C residue 4546 VAL Chi-restraints excluded: chain C residue 4547 GLN Chi-restraints excluded: chain C residue 4549 VAL Chi-restraints excluded: chain C residue 4558 ASN Chi-restraints excluded: chain C residue 4559 PHE Chi-restraints excluded: chain C residue 4565 LEU Chi-restraints excluded: chain C residue 4571 PHE Chi-restraints excluded: chain C residue 4573 ILE Chi-restraints excluded: chain C residue 4576 ILE Chi-restraints excluded: chain C residue 4578 LEU Chi-restraints excluded: chain C residue 4630 TYR Chi-restraints excluded: chain C residue 4631 PHE Chi-restraints excluded: chain C residue 4632 LEU Chi-restraints excluded: chain C residue 4635 SER Chi-restraints excluded: chain C residue 4638 TYR Chi-restraints excluded: chain C residue 4643 LEU Chi-restraints excluded: chain C residue 4646 LEU Chi-restraints excluded: chain C residue 4648 LEU Chi-restraints excluded: chain C residue 4649 LEU Chi-restraints excluded: chain C residue 4651 THR Chi-restraints excluded: chain C residue 4652 LEU Chi-restraints excluded: chain C residue 4653 VAL Chi-restraints excluded: chain C residue 4656 LEU Chi-restraints excluded: chain C residue 4657 CYS Chi-restraints excluded: chain C residue 4663 CYS Chi-restraints excluded: chain C residue 4666 VAL Chi-restraints excluded: chain C residue 4668 LEU Chi-restraints excluded: chain C residue 4674 GLU Chi-restraints excluded: chain C residue 4676 GLU Chi-restraints excluded: chain C residue 4677 LEU Chi-restraints excluded: chain C residue 4684 ASP Chi-restraints excluded: chain C residue 4686 LEU Chi-restraints excluded: chain C residue 4688 ILE Chi-restraints excluded: chain C residue 4701 TRP Chi-restraints excluded: chain C residue 4710 SER Chi-restraints excluded: chain C residue 4714 ASN Chi-restraints excluded: chain C residue 4723 LYS Chi-restraints excluded: chain C residue 4727 LYS Chi-restraints excluded: chain C residue 4731 ILE Chi-restraints excluded: chain C residue 4739 GLU Chi-restraints excluded: chain C residue 4743 MET Chi-restraints excluded: chain C residue 4747 SER Chi-restraints excluded: chain C residue 4770 SER Chi-restraints excluded: chain C residue 4771 ILE Chi-restraints excluded: chain C residue 4774 LYS Chi-restraints excluded: chain C residue 4777 ILE Chi-restraints excluded: chain C residue 4780 PHE Chi-restraints excluded: chain C residue 4783 ILE Chi-restraints excluded: chain C residue 4786 ASP Chi-restraints excluded: chain C residue 4791 TYR Chi-restraints excluded: chain C residue 4794 TRP Chi-restraints excluded: chain C residue 4797 VAL Chi-restraints excluded: chain C residue 4800 LEU Chi-restraints excluded: chain C residue 4807 PHE Chi-restraints excluded: chain C residue 4814 LEU Chi-restraints excluded: chain C residue 4818 MET Chi-restraints excluded: chain C residue 4822 THR Chi-restraints excluded: chain C residue 4827 LEU Chi-restraints excluded: chain C residue 4830 VAL Chi-restraints excluded: chain C residue 4836 GLN Chi-restraints excluded: chain C residue 4838 VAL Chi-restraints excluded: chain C residue 4840 THR Chi-restraints excluded: chain C residue 4844 LEU Chi-restraints excluded: chain C residue 4849 TYR Chi-restraints excluded: chain C residue 4852 THR Chi-restraints excluded: chain C residue 4854 VAL Chi-restraints excluded: chain C residue 4864 ASN Chi-restraints excluded: chain C residue 4867 GLU Chi-restraints excluded: chain C residue 4877 ASP Chi-restraints excluded: chain C residue 4901 ILE Chi-restraints excluded: chain C residue 4904 PRO Chi-restraints excluded: chain C residue 4913 ARG Chi-restraints excluded: chain C residue 4915 VAL Chi-restraints excluded: chain C residue 4918 ILE Chi-restraints excluded: chain C residue 4919 THR Chi-restraints excluded: chain C residue 4920 PHE Chi-restraints excluded: chain C residue 4921 PHE Chi-restraints excluded: chain C residue 4945 ASP Chi-restraints excluded: chain C residue 4950 VAL Chi-restraints excluded: chain C residue 4960 ILE Chi-restraints excluded: chain C residue 4966 ASP Chi-restraints excluded: chain C residue 4983 HIS Chi-restraints excluded: chain C residue 4984 ASN Chi-restraints excluded: chain C residue 4985 LEU Chi-restraints excluded: chain C residue 4990 PHE Chi-restraints excluded: chain C residue 4994 TYR Chi-restraints excluded: chain C residue 4995 LEU Chi-restraints excluded: chain C residue 4998 LYS Chi-restraints excluded: chain C residue 4999 ASP Chi-restraints excluded: chain C residue 5010 VAL Chi-restraints excluded: chain C residue 5013 MET Chi-restraints excluded: chain C residue 5014 TYR Chi-restraints excluded: chain C residue 5020 ASP Chi-restraints excluded: chain D residue 12 GLN Chi-restraints excluded: chain D residue 14 LEU Chi-restraints excluded: chain D residue 15 ARG Chi-restraints excluded: chain D residue 16 THR Chi-restraints excluded: chain D residue 17 ASP Chi-restraints excluded: chain D residue 18 ASP Chi-restraints excluded: chain D residue 19 GLU Chi-restraints excluded: chain D residue 29 LEU Chi-restraints excluded: chain D residue 32 GLN Chi-restraints excluded: chain D residue 35 LEU Chi-restraints excluded: chain D residue 40 GLU Chi-restraints excluded: chain D residue 44 ASN Chi-restraints excluded: chain D residue 49 LEU Chi-restraints excluded: chain D residue 66 CYS Chi-restraints excluded: chain D residue 67 PHE Chi-restraints excluded: chain D residue 69 LEU Chi-restraints excluded: chain D residue 70 GLU Chi-restraints excluded: chain D residue 71 GLN Chi-restraints excluded: chain D residue 73 LEU Chi-restraints excluded: chain D residue 74 SER Chi-restraints excluded: chain D residue 75 VAL Chi-restraints excluded: chain D residue 76 ARG Chi-restraints excluded: chain D residue 78 LEU Chi-restraints excluded: chain D residue 81 MET Chi-restraints excluded: chain D residue 100 THR Chi-restraints excluded: chain D residue 109 LEU Chi-restraints excluded: chain D residue 111 HIS Chi-restraints excluded: chain D residue 113 HIS Chi-restraints excluded: chain D residue 121 LEU Chi-restraints excluded: chain D residue 122 THR Chi-restraints excluded: chain D residue 123 THR Chi-restraints excluded: chain D residue 124 SER Chi-restraints excluded: chain D residue 133 PHE Chi-restraints excluded: chain D residue 135 VAL Chi-restraints excluded: chain D residue 142 THR Chi-restraints excluded: chain D residue 144 GLU Chi-restraints excluded: chain D residue 149 THR Chi-restraints excluded: chain D residue 152 PRO Chi-restraints excluded: chain D residue 156 GLN Chi-restraints excluded: chain D residue 163 VAL Chi-restraints excluded: chain D residue 165 VAL Chi-restraints excluded: chain D residue 167 ASP Chi-restraints excluded: chain D residue 169 LEU Chi-restraints excluded: chain D residue 173 SER Chi-restraints excluded: chain D residue 175 SER Chi-restraints excluded: chain D residue 179 TYR Chi-restraints excluded: chain D residue 181 HIS Chi-restraints excluded: chain D residue 183 SER Chi-restraints excluded: chain D residue 189 LEU Chi-restraints excluded: chain D residue 191 VAL Chi-restraints excluded: chain D residue 194 SER Chi-restraints excluded: chain D residue 205 ILE Chi-restraints excluded: chain D residue 206 CYS Chi-restraints excluded: chain D residue 208 CYS Chi-restraints excluded: chain D residue 210 GLU Chi-restraints excluded: chain D residue 211 GLU Chi-restraints excluded: chain D residue 222 LEU Chi-restraints excluded: chain D residue 238 SER Chi-restraints excluded: chain D residue 244 LEU Chi-restraints excluded: chain D residue 246 TYR Chi-restraints excluded: chain D residue 247 TYR Chi-restraints excluded: chain D residue 257 ARG Chi-restraints excluded: chain D residue 262 LEU Chi-restraints excluded: chain D residue 270 SER Chi-restraints excluded: chain D residue 282 ILE Chi-restraints excluded: chain D residue 283 ARG Chi-restraints excluded: chain D residue 286 THR Chi-restraints excluded: chain D residue 293 LEU Chi-restraints excluded: chain D residue 294 THR Chi-restraints excluded: chain D residue 299 LEU Chi-restraints excluded: chain D residue 301 VAL Chi-restraints excluded: chain D residue 312 THR Chi-restraints excluded: chain D residue 313 SER Chi-restraints excluded: chain D residue 315 CYS Chi-restraints excluded: chain D residue 339 ILE Chi-restraints excluded: chain D residue 343 GLU Chi-restraints excluded: chain D residue 357 LEU Chi-restraints excluded: chain D residue 359 TYR Chi-restraints excluded: chain D residue 372 LEU Chi-restraints excluded: chain D residue 373 LYS Chi-restraints excluded: chain D residue 381 GLU Chi-restraints excluded: chain D residue 383 HIS Chi-restraints excluded: chain D residue 390 LEU Chi-restraints excluded: chain D residue 396 GLU Chi-restraints excluded: chain D residue 397 GLU Chi-restraints excluded: chain D residue 398 SER Chi-restraints excluded: chain D residue 399 GLN Chi-restraints excluded: chain D residue 403 MET Chi-restraints excluded: chain D residue 404 ILE Chi-restraints excluded: chain D residue 410 LEU Chi-restraints excluded: chain D residue 415 ILE Chi-restraints excluded: chain D residue 420 SER Chi-restraints excluded: chain D residue 438 ILE Chi-restraints excluded: chain D residue 439 GLU Chi-restraints excluded: chain D residue 442 ILE Chi-restraints excluded: chain D residue 447 ASP Chi-restraints excluded: chain D residue 452 PHE Chi-restraints excluded: chain D residue 455 PRO Chi-restraints excluded: chain D residue 459 LEU Chi-restraints excluded: chain D residue 460 GLN Chi-restraints excluded: chain D residue 462 GLU Chi-restraints excluded: chain D residue 463 GLU Chi-restraints excluded: chain D residue 469 ARG Chi-restraints excluded: chain D residue 475 GLN Chi-restraints excluded: chain D residue 483 MET Chi-restraints excluded: chain D residue 485 SER Chi-restraints excluded: chain D residue 486 LEU Chi-restraints excluded: chain D residue 487 VAL Chi-restraints excluded: chain D residue 488 LEU Chi-restraints excluded: chain D residue 491 ILE Chi-restraints excluded: chain D residue 497 TYR Chi-restraints excluded: chain D residue 506 TYR Chi-restraints excluded: chain D residue 510 GLU Chi-restraints excluded: chain D residue 513 GLU Chi-restraints excluded: chain D residue 514 SER Chi-restraints excluded: chain D residue 515 TRP Chi-restraints excluded: chain D residue 517 GLU Chi-restraints excluded: chain D residue 519 VAL Chi-restraints excluded: chain D residue 522 LEU Chi-restraints excluded: chain D residue 526 LEU Chi-restraints excluded: chain D residue 529 LEU Chi-restraints excluded: chain D residue 530 ILE Chi-restraints excluded: chain D residue 533 ASN Chi-restraints excluded: chain D residue 536 ASN Chi-restraints excluded: chain D residue 539 LEU Chi-restraints excluded: chain D residue 540 PHE Chi-restraints excluded: chain D residue 541 SER Chi-restraints excluded: chain D residue 547 VAL Chi-restraints excluded: chain D residue 561 LEU Chi-restraints excluded: chain D residue 563 VAL Chi-restraints excluded: chain D residue 564 LEU Chi-restraints excluded: chain D residue 569 ILE Chi-restraints excluded: chain D residue 575 LEU Chi-restraints excluded: chain D residue 579 GLN Chi-restraints excluded: chain D residue 580 GLU Chi-restraints excluded: chain D residue 586 ILE Chi-restraints excluded: chain D residue 590 LEU Chi-restraints excluded: chain D residue 591 ASP Chi-restraints excluded: chain D residue 599 VAL Chi-restraints excluded: chain D residue 602 VAL Chi-restraints excluded: chain D residue 605 SER Chi-restraints excluded: chain D residue 609 CYS Chi-restraints excluded: chain D residue 614 VAL Chi-restraints excluded: chain D residue 621 ILE Chi-restraints excluded: chain D residue 622 THR Chi-restraints excluded: chain D residue 631 LEU Chi-restraints excluded: chain D residue 633 LEU Chi-restraints excluded: chain D residue 635 THR Chi-restraints excluded: chain D residue 638 ILE Chi-restraints excluded: chain D residue 642 THR Chi-restraints excluded: chain D residue 661 LYS Chi-restraints excluded: chain D residue 663 TYR Chi-restraints excluded: chain D residue 665 GLU Chi-restraints excluded: chain D residue 669 ASP Chi-restraints excluded: chain D residue 672 VAL Chi-restraints excluded: chain D residue 676 THR Chi-restraints excluded: chain D residue 682 LEU Chi-restraints excluded: chain D residue 684 VAL Chi-restraints excluded: chain D residue 690 GLU Chi-restraints excluded: chain D residue 695 TYR Chi-restraints excluded: chain D residue 702 TRP Chi-restraints excluded: chain D residue 709 ASP Chi-restraints excluded: chain D residue 710 ASP Chi-restraints excluded: chain D residue 712 TYR Chi-restraints excluded: chain D residue 714 TYR Chi-restraints excluded: chain D residue 719 LEU Chi-restraints excluded: chain D residue 735 GLN Chi-restraints excluded: chain D residue 748 LEU Chi-restraints excluded: chain D residue 751 SER Chi-restraints excluded: chain D residue 752 VAL Chi-restraints excluded: chain D residue 754 SER Chi-restraints excluded: chain D residue 756 SER Chi-restraints excluded: chain D residue 757 PHE Chi-restraints excluded: chain D residue 760 ASN Chi-restraints excluded: chain D residue 771 PHE Chi-restraints excluded: chain D residue 773 LEU Chi-restraints excluded: chain D residue 783 PHE Chi-restraints excluded: chain D residue 784 SER Chi-restraints excluded: chain D residue 801 LYS Chi-restraints excluded: chain D residue 802 PHE Chi-restraints excluded: chain D residue 815 VAL Chi-restraints excluded: chain D residue 822 ARG Chi-restraints excluded: chain D residue 829 TYR Chi-restraints excluded: chain D residue 839 LEU Chi-restraints excluded: chain D residue 867 LEU Chi-restraints excluded: chain D residue 869 ARG Chi-restraints excluded: chain D residue 886 ARG Chi-restraints excluded: chain D residue 896 VAL Chi-restraints excluded: chain D residue 900 ASN Chi-restraints excluded: chain D residue 908 VAL Chi-restraints excluded: chain D residue 910 PHE Chi-restraints excluded: chain D residue 923 GLN Chi-restraints excluded: chain D residue 928 THR Chi-restraints excluded: chain D residue 948 ASP Chi-restraints excluded: chain D residue 960 MET Chi-restraints excluded: chain D residue 961 MET Chi-restraints excluded: chain D residue 971 ASP Chi-restraints excluded: chain D residue 972 LEU Chi-restraints excluded: chain D residue 974 HIS Chi-restraints excluded: chain D residue 978 THR Chi-restraints excluded: chain D residue 1036 ARG Chi-restraints excluded: chain D residue 1039 LEU Chi-restraints excluded: chain D residue 1045 THR Chi-restraints excluded: chain D residue 1072 VAL Chi-restraints excluded: chain D residue 1076 ARG Chi-restraints excluded: chain D residue 1078 GLU Chi-restraints excluded: chain D residue 1081 TYR Chi-restraints excluded: chain D residue 1087 ARG Chi-restraints excluded: chain D residue 1093 GLU Chi-restraints excluded: chain D residue 1101 ARG Chi-restraints excluded: chain D residue 1108 GLU Chi-restraints excluded: chain D residue 1120 LEU Chi-restraints excluded: chain D residue 1127 HIS Chi-restraints excluded: chain D residue 1132 TRP Chi-restraints excluded: chain D residue 1133 HIS Chi-restraints excluded: chain D residue 1134 LEU Chi-restraints excluded: chain D residue 1139 PHE Chi-restraints excluded: chain D residue 1143 TRP Chi-restraints excluded: chain D residue 1155 LEU Chi-restraints excluded: chain D residue 1158 ASN Chi-restraints excluded: chain D residue 1160 ILE Chi-restraints excluded: chain D residue 1163 THR Chi-restraints excluded: chain D residue 1167 GLU Chi-restraints excluded: chain D residue 1169 LEU Chi-restraints excluded: chain D residue 1172 ASP Chi-restraints excluded: chain D residue 1184 ILE Chi-restraints excluded: chain D residue 1191 VAL Chi-restraints excluded: chain D residue 1203 ASN Chi-restraints excluded: chain D residue 1209 SER Chi-restraints excluded: chain D residue 1219 LEU Chi-restraints excluded: chain D residue 1226 PHE Chi-restraints excluded: chain D residue 1235 THR Chi-restraints excluded: chain D residue 1240 LYS Chi-restraints excluded: chain D residue 1242 LEU Chi-restraints excluded: chain D residue 1244 GLN Chi-restraints excluded: chain D residue 1245 PHE Chi-restraints excluded: chain D residue 1248 VAL Chi-restraints excluded: chain D residue 1251 GLU Chi-restraints excluded: chain D residue 1254 HIS Chi-restraints excluded: chain D residue 1266 THR Chi-restraints excluded: chain D residue 1272 LEU Chi-restraints excluded: chain D residue 1590 GLN Chi-restraints excluded: chain D residue 1595 LEU Chi-restraints excluded: chain D residue 1597 VAL Chi-restraints excluded: chain D residue 1600 LEU Chi-restraints excluded: chain D residue 1601 MET Chi-restraints excluded: chain D residue 1605 TRP Chi-restraints excluded: chain D residue 1613 LEU Chi-restraints excluded: chain D residue 1639 LEU Chi-restraints excluded: chain D residue 1641 ILE Chi-restraints excluded: chain D residue 1648 MET Chi-restraints excluded: chain D residue 1649 ASP Chi-restraints excluded: chain D residue 1652 GLU Chi-restraints excluded: chain D residue 1654 SER Chi-restraints excluded: chain D residue 1657 LEU Chi-restraints excluded: chain D residue 1658 ASP Chi-restraints excluded: chain D residue 1661 ARG Chi-restraints excluded: chain D residue 1666 THR Chi-restraints excluded: chain D residue 1673 VAL Chi-restraints excluded: chain D residue 1679 ASN Chi-restraints excluded: chain D residue 1680 ARG Chi-restraints excluded: chain D residue 1686 CYS Chi-restraints excluded: chain D residue 1694 LEU Chi-restraints excluded: chain D residue 1699 GLU Chi-restraints excluded: chain D residue 1700 ASP Chi-restraints excluded: chain D residue 1703 LEU Chi-restraints excluded: chain D residue 1707 LEU Chi-restraints excluded: chain D residue 1713 ASP Chi-restraints excluded: chain D residue 1720 LEU Chi-restraints excluded: chain D residue 1721 GLU Chi-restraints excluded: chain D residue 1731 LEU Chi-restraints excluded: chain D residue 1738 LEU Chi-restraints excluded: chain D residue 1739 THR Chi-restraints excluded: chain D residue 1743 ARG Chi-restraints excluded: chain D residue 1768 THR Chi-restraints excluded: chain D residue 1770 SER Chi-restraints excluded: chain D residue 1772 ARG Chi-restraints excluded: chain D residue 1778 SER Chi-restraints excluded: chain D residue 1786 LEU Chi-restraints excluded: chain D residue 1797 ARG Chi-restraints excluded: chain D residue 1798 LEU Chi-restraints excluded: chain D residue 1810 LYS Chi-restraints excluded: chain D residue 1813 ARG Chi-restraints excluded: chain D residue 1819 VAL Chi-restraints excluded: chain D residue 1839 VAL Chi-restraints excluded: chain D residue 1842 LEU Chi-restraints excluded: chain D residue 1844 LEU Chi-restraints excluded: chain D residue 1848 LEU Chi-restraints excluded: chain D residue 1850 VAL Chi-restraints excluded: chain D residue 1853 ILE Chi-restraints excluded: chain D residue 1856 ASP Chi-restraints excluded: chain D residue 1857 GLU Chi-restraints excluded: chain D residue 1861 GLN Chi-restraints excluded: chain D residue 1863 LEU Chi-restraints excluded: chain D residue 1870 VAL Chi-restraints excluded: chain D residue 1928 GLN Chi-restraints excluded: chain D residue 1935 VAL Chi-restraints excluded: chain D residue 1939 MET Chi-restraints excluded: chain D residue 1942 LEU Chi-restraints excluded: chain D residue 1943 LEU Chi-restraints excluded: chain D residue 1947 CYS Chi-restraints excluded: chain D residue 1951 LEU Chi-restraints excluded: chain D residue 1958 LEU Chi-restraints excluded: chain D residue 1963 GLU Chi-restraints excluded: chain D residue 1966 VAL Chi-restraints excluded: chain D residue 1968 LYS Chi-restraints excluded: chain D residue 1976 ARG Chi-restraints excluded: chain D residue 1996 ARG Chi-restraints excluded: chain D residue 2030 ASP Chi-restraints excluded: chain D residue 2031 LEU Chi-restraints excluded: chain D residue 2034 PHE Chi-restraints excluded: chain D residue 2035 HIS Chi-restraints excluded: chain D residue 2095 GLN Chi-restraints excluded: chain D residue 2098 VAL Chi-restraints excluded: chain D residue 2101 MET Chi-restraints excluded: chain D residue 2102 VAL Chi-restraints excluded: chain D residue 2103 VAL Chi-restraints excluded: chain D residue 2104 ARG Chi-restraints excluded: chain D residue 2115 GLU Chi-restraints excluded: chain D residue 2117 VAL Chi-restraints excluded: chain D residue 2118 ARG Chi-restraints excluded: chain D residue 2120 MET Chi-restraints excluded: chain D residue 2122 SER Chi-restraints excluded: chain D residue 2125 HIS Chi-restraints excluded: chain D residue 2128 TYR Chi-restraints excluded: chain D residue 2138 LEU Chi-restraints excluded: chain D residue 2143 THR Chi-restraints excluded: chain D residue 2148 SER Chi-restraints excluded: chain D residue 2150 GLU Chi-restraints excluded: chain D residue 2155 LEU Chi-restraints excluded: chain D residue 2164 SER Chi-restraints excluded: chain D residue 2166 LEU Chi-restraints excluded: chain D residue 2169 GLN Chi-restraints excluded: chain D residue 2185 ILE Chi-restraints excluded: chain D residue 2186 MET Chi-restraints excluded: chain D residue 2187 ASN Chi-restraints excluded: chain D residue 2189 LYS Chi-restraints excluded: chain D residue 2203 MET Chi-restraints excluded: chain D residue 2207 VAL Chi-restraints excluded: chain D residue 2225 PHE Chi-restraints excluded: chain D residue 2228 MET Chi-restraints excluded: chain D residue 2229 VAL Chi-restraints excluded: chain D residue 2231 SER Chi-restraints excluded: chain D residue 2232 CYS Chi-restraints excluded: chain D residue 2237 CYS Chi-restraints excluded: chain D residue 2245 GLN Chi-restraints excluded: chain D residue 2246 ASN Chi-restraints excluded: chain D residue 2251 PHE Chi-restraints excluded: chain D residue 2254 LEU Chi-restraints excluded: chain D residue 2256 TYR Chi-restraints excluded: chain D residue 2258 LEU Chi-restraints excluded: chain D residue 2260 ASN Chi-restraints excluded: chain D residue 2265 LEU Chi-restraints excluded: chain D residue 2275 VAL Chi-restraints excluded: chain D residue 2279 SER Chi-restraints excluded: chain D residue 2280 VAL Chi-restraints excluded: chain D residue 2291 GLN Chi-restraints excluded: chain D residue 2292 GLU Chi-restraints excluded: chain D residue 2298 VAL Chi-restraints excluded: chain D residue 2330 ARG Chi-restraints excluded: chain D residue 2334 PHE Chi-restraints excluded: chain D residue 2341 VAL Chi-restraints excluded: chain D residue 2346 VAL Chi-restraints excluded: chain D residue 2347 GLU Chi-restraints excluded: chain D residue 2348 GLU Chi-restraints excluded: chain D residue 2349 ASN Chi-restraints excluded: chain D residue 2353 VAL Chi-restraints excluded: chain D residue 2354 VAL Chi-restraints excluded: chain D residue 2356 LEU Chi-restraints excluded: chain D residue 2357 LEU Chi-restraints excluded: chain D residue 2368 LEU Chi-restraints excluded: chain D residue 2376 LEU Chi-restraints excluded: chain D residue 2377 LEU Chi-restraints excluded: chain D residue 2380 ILE Chi-restraints excluded: chain D residue 2418 LEU Chi-restraints excluded: chain D residue 2432 LEU Chi-restraints excluded: chain D residue 2433 LEU Chi-restraints excluded: chain D residue 2449 GLU Chi-restraints excluded: chain D residue 2451 LEU Chi-restraints excluded: chain D residue 2454 ARG Chi-restraints excluded: chain D residue 2457 LEU Chi-restraints excluded: chain D residue 2460 LEU Chi-restraints excluded: chain D residue 2463 LEU Chi-restraints excluded: chain D residue 2472 LEU Chi-restraints excluded: chain D residue 2741 GLU Chi-restraints excluded: chain D residue 2756 ASN Chi-restraints excluded: chain D residue 2760 GLU Chi-restraints excluded: chain D residue 2773 ASN Chi-restraints excluded: chain D residue 2792 ARG Chi-restraints excluded: chain D residue 2796 THR Chi-restraints excluded: chain D residue 2811 GLU Chi-restraints excluded: chain D residue 2816 MET Chi-restraints excluded: chain D residue 2821 TRP Chi-restraints excluded: chain D residue 2827 ARG Chi-restraints excluded: chain D residue 2855 TYR Chi-restraints excluded: chain D residue 2856 ASN Chi-restraints excluded: chain D residue 2867 LEU Chi-restraints excluded: chain D residue 2881 ASN Chi-restraints excluded: chain D residue 2888 ARG Chi-restraints excluded: chain D residue 2889 LYS Chi-restraints excluded: chain D residue 2906 VAL Chi-restraints excluded: chain D residue 2910 THR Chi-restraints excluded: chain D residue 2911 LEU Chi-restraints excluded: chain D residue 2935 TYR Chi-restraints excluded: chain D residue 2938 THR Chi-restraints excluded: chain D residue 3644 LEU Chi-restraints excluded: chain D residue 3646 THR Chi-restraints excluded: chain D residue 3652 MET Chi-restraints excluded: chain D residue 3657 TYR Chi-restraints excluded: chain D residue 3661 TRP Chi-restraints excluded: chain D residue 3665 GLU Chi-restraints excluded: chain D residue 3666 ASP Chi-restraints excluded: chain D residue 3669 PHE Chi-restraints excluded: chain D residue 3676 ASP Chi-restraints excluded: chain D residue 3679 LYS Chi-restraints excluded: chain D residue 3697 PRO Chi-restraints excluded: chain D residue 3698 LEU Chi-restraints excluded: chain D residue 3702 VAL Chi-restraints excluded: chain D residue 3708 THR Chi-restraints excluded: chain D residue 3711 THR Chi-restraints excluded: chain D residue 3714 SER Chi-restraints excluded: chain D residue 3717 ASP Chi-restraints excluded: chain D residue 3718 GLU Chi-restraints excluded: chain D residue 3720 TYR Chi-restraints excluded: chain D residue 3725 TYR Chi-restraints excluded: chain D residue 3727 ASP Chi-restraints excluded: chain D residue 3753 PHE Chi-restraints excluded: chain D residue 3759 GLU Chi-restraints excluded: chain D residue 3763 LEU Chi-restraints excluded: chain D residue 3766 GLN Chi-restraints excluded: chain D residue 3773 ARG Chi-restraints excluded: chain D residue 3786 CYS Chi-restraints excluded: chain D residue 3787 LYS Chi-restraints excluded: chain D residue 3790 THR Chi-restraints excluded: chain D residue 3796 SER Chi-restraints excluded: chain D residue 3797 THR Chi-restraints excluded: chain D residue 3798 LEU Chi-restraints excluded: chain D residue 3802 ILE Chi-restraints excluded: chain D residue 3811 GLU Chi-restraints excluded: chain D residue 3816 MET Chi-restraints excluded: chain D residue 3817 LEU Chi-restraints excluded: chain D residue 3822 ASP Chi-restraints excluded: chain D residue 3828 PHE Chi-restraints excluded: chain D residue 3838 THR Chi-restraints excluded: chain D residue 3841 VAL Chi-restraints excluded: chain D residue 3843 ASP Chi-restraints excluded: chain D residue 3844 LEU Chi-restraints excluded: chain D residue 3847 PHE Chi-restraints excluded: chain D residue 3881 THR Chi-restraints excluded: chain D residue 3882 GLN Chi-restraints excluded: chain D residue 3883 ASP Chi-restraints excluded: chain D residue 3884 LEU Chi-restraints excluded: chain D residue 3890 LEU Chi-restraints excluded: chain D residue 3891 LEU Chi-restraints excluded: chain D residue 3895 HIS Chi-restraints excluded: chain D residue 3900 GLN Chi-restraints excluded: chain D residue 3907 THR Chi-restraints excluded: chain D residue 3909 ASN Chi-restraints excluded: chain D residue 3913 ILE Chi-restraints excluded: chain D residue 3915 ILE Chi-restraints excluded: chain D residue 3916 ILE Chi-restraints excluded: chain D residue 3917 ILE Chi-restraints excluded: chain D residue 3920 VAL Chi-restraints excluded: chain D residue 3924 LEU Chi-restraints excluded: chain D residue 3927 GLN Chi-restraints excluded: chain D residue 3928 GLU Chi-restraints excluded: chain D residue 3929 SER Chi-restraints excluded: chain D residue 3931 SER Chi-restraints excluded: chain D residue 3932 ASP Chi-restraints excluded: chain D residue 3937 TYR Chi-restraints excluded: chain D residue 3944 GLU Chi-restraints excluded: chain D residue 3946 GLN Chi-restraints excluded: chain D residue 3948 LYS Chi-restraints excluded: chain D residue 3953 LYS Chi-restraints excluded: chain D residue 3957 VAL Chi-restraints excluded: chain D residue 3959 LYS Chi-restraints excluded: chain D residue 3961 VAL Chi-restraints excluded: chain D residue 3964 SER Chi-restraints excluded: chain D residue 3970 GLN Chi-restraints excluded: chain D residue 3974 THR Chi-restraints excluded: chain D residue 3979 SER Chi-restraints excluded: chain D residue 3980 LEU Chi-restraints excluded: chain D residue 3982 HIS Chi-restraints excluded: chain D residue 3986 TRP Chi-restraints excluded: chain D residue 3987 ASP Chi-restraints excluded: chain D residue 3990 VAL Chi-restraints excluded: chain D residue 3996 PHE Chi-restraints excluded: chain D residue 4014 LYS Chi-restraints excluded: chain D residue 4020 GLN Chi-restraints excluded: chain D residue 4022 ASP Chi-restraints excluded: chain D residue 4023 MET Chi-restraints excluded: chain D residue 4025 VAL Chi-restraints excluded: chain D residue 4034 ASN Chi-restraints excluded: chain D residue 4035 VAL Chi-restraints excluded: chain D residue 4036 VAL Chi-restraints excluded: chain D residue 4044 MET Chi-restraints excluded: chain D residue 4045 VAL Chi-restraints excluded: chain D residue 4046 ASP Chi-restraints excluded: chain D residue 4049 VAL Chi-restraints excluded: chain D residue 4055 VAL Chi-restraints excluded: chain D residue 4058 ILE Chi-restraints excluded: chain D residue 4059 LEU Chi-restraints excluded: chain D residue 4063 ASP Chi-restraints excluded: chain D residue 4066 LEU Chi-restraints excluded: chain D residue 4070 ASP Chi-restraints excluded: chain D residue 4090 LYS Chi-restraints excluded: chain D residue 4095 LYS Chi-restraints excluded: chain D residue 4102 GLN Chi-restraints excluded: chain D residue 4109 GLN Chi-restraints excluded: chain D residue 4128 PHE Chi-restraints excluded: chain D residue 4139 ILE Chi-restraints excluded: chain D residue 4142 ASN Chi-restraints excluded: chain D residue 4143 VAL Chi-restraints excluded: chain D residue 4150 LEU Chi-restraints excluded: chain D residue 4151 SER Chi-restraints excluded: chain D residue 4157 ASP Chi-restraints excluded: chain D residue 4159 ARG Chi-restraints excluded: chain D residue 4160 LEU Chi-restraints excluded: chain D residue 4162 ASN Chi-restraints excluded: chain D residue 4164 LEU Chi-restraints excluded: chain D residue 4166 LEU Chi-restraints excluded: chain D residue 4178 LEU Chi-restraints excluded: chain D residue 4180 ARG Chi-restraints excluded: chain D residue 4181 ILE Chi-restraints excluded: chain D residue 4190 ILE Chi-restraints excluded: chain D residue 4192 ARG Chi-restraints excluded: chain D residue 4195 PHE Chi-restraints excluded: chain D residue 4200 THR Chi-restraints excluded: chain D residue 4205 TRP Chi-restraints excluded: chain D residue 4206 GLU Chi-restraints excluded: chain D residue 4212 GLU Chi-restraints excluded: chain D residue 4231 MET Chi-restraints excluded: chain D residue 4238 CYS Chi-restraints excluded: chain D residue 4244 GLU Chi-restraints excluded: chain D residue 4250 GLN Chi-restraints excluded: chain D residue 4251 ILE Chi-restraints excluded: chain D residue 4252 SER Chi-restraints excluded: chain D residue 4546 VAL Chi-restraints excluded: chain D residue 4547 GLN Chi-restraints excluded: chain D residue 4549 VAL Chi-restraints excluded: chain D residue 4558 ASN Chi-restraints excluded: chain D residue 4559 PHE Chi-restraints excluded: chain D residue 4565 LEU Chi-restraints excluded: chain D residue 4573 ILE Chi-restraints excluded: chain D residue 4630 TYR Chi-restraints excluded: chain D residue 4631 PHE Chi-restraints excluded: chain D residue 4632 LEU Chi-restraints excluded: chain D residue 4633 GLU Chi-restraints excluded: chain D residue 4635 SER Chi-restraints excluded: chain D residue 4638 TYR Chi-restraints excluded: chain D residue 4646 LEU Chi-restraints excluded: chain D residue 4648 LEU Chi-restraints excluded: chain D residue 4649 LEU Chi-restraints excluded: chain D residue 4651 THR Chi-restraints excluded: chain D residue 4652 LEU Chi-restraints excluded: chain D residue 4653 VAL Chi-restraints excluded: chain D residue 4656 LEU Chi-restraints excluded: chain D residue 4657 CYS Chi-restraints excluded: chain D residue 4663 CYS Chi-restraints excluded: chain D residue 4666 VAL Chi-restraints excluded: chain D residue 4668 LEU Chi-restraints excluded: chain D residue 4674 GLU Chi-restraints excluded: chain D residue 4676 GLU Chi-restraints excluded: chain D residue 4677 LEU Chi-restraints excluded: chain D residue 4682 GLU Chi-restraints excluded: chain D residue 4684 ASP Chi-restraints excluded: chain D residue 4686 LEU Chi-restraints excluded: chain D residue 4688 ILE Chi-restraints excluded: chain D residue 4701 TRP Chi-restraints excluded: chain D residue 4710 SER Chi-restraints excluded: chain D residue 4723 LYS Chi-restraints excluded: chain D residue 4727 LYS Chi-restraints excluded: chain D residue 4731 ILE Chi-restraints excluded: chain D residue 4739 GLU Chi-restraints excluded: chain D residue 4743 MET Chi-restraints excluded: chain D residue 4747 SER Chi-restraints excluded: chain D residue 4770 SER Chi-restraints excluded: chain D residue 4771 ILE Chi-restraints excluded: chain D residue 4774 LYS Chi-restraints excluded: chain D residue 4777 ILE Chi-restraints excluded: chain D residue 4780 PHE Chi-restraints excluded: chain D residue 4783 ILE Chi-restraints excluded: chain D residue 4786 ASP Chi-restraints excluded: chain D residue 4791 TYR Chi-restraints excluded: chain D residue 4794 TRP Chi-restraints excluded: chain D residue 4797 VAL Chi-restraints excluded: chain D residue 4800 LEU Chi-restraints excluded: chain D residue 4808 PHE Chi-restraints excluded: chain D residue 4814 LEU Chi-restraints excluded: chain D residue 4816 ILE Chi-restraints excluded: chain D residue 4818 MET Chi-restraints excluded: chain D residue 4822 THR Chi-restraints excluded: chain D residue 4827 LEU Chi-restraints excluded: chain D residue 4830 VAL Chi-restraints excluded: chain D residue 4836 GLN Chi-restraints excluded: chain D residue 4838 VAL Chi-restraints excluded: chain D residue 4844 LEU Chi-restraints excluded: chain D residue 4849 TYR Chi-restraints excluded: chain D residue 4852 THR Chi-restraints excluded: chain D residue 4854 VAL Chi-restraints excluded: chain D residue 4864 ASN Chi-restraints excluded: chain D residue 4867 GLU Chi-restraints excluded: chain D residue 4877 ASP Chi-restraints excluded: chain D residue 4901 ILE Chi-restraints excluded: chain D residue 4904 PRO Chi-restraints excluded: chain D residue 4913 ARG Chi-restraints excluded: chain D residue 4915 VAL Chi-restraints excluded: chain D residue 4918 ILE Chi-restraints excluded: chain D residue 4919 THR Chi-restraints excluded: chain D residue 4920 PHE Chi-restraints excluded: chain D residue 4921 PHE Chi-restraints excluded: chain D residue 4936 ILE Chi-restraints excluded: chain D residue 4945 ASP Chi-restraints excluded: chain D residue 4950 VAL Chi-restraints excluded: chain D residue 4954 MET Chi-restraints excluded: chain D residue 4959 PHE Chi-restraints excluded: chain D residue 4960 ILE Chi-restraints excluded: chain D residue 4966 ASP Chi-restraints excluded: chain D residue 4983 HIS Chi-restraints excluded: chain D residue 4985 LEU Chi-restraints excluded: chain D residue 4990 PHE Chi-restraints excluded: chain D residue 4994 TYR Chi-restraints excluded: chain D residue 4996 ILE Chi-restraints excluded: chain D residue 5008 SER Chi-restraints excluded: chain D residue 5010 VAL Chi-restraints excluded: chain D residue 5013 MET Chi-restraints excluded: chain D residue 5016 GLU Chi-restraints excluded: chain D residue 5020 ASP Chi-restraints excluded: chain D residue 5027 CYS Rotamers are restrained with sigma=2.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 0 random chunks: chunk None optimal weight: 10.0000 overall best weight: 50.0000 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** A 57 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 218 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 308 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 350 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 379 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 394 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 460 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 461 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 479 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 582 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 610 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 618 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 705 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 725 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 735 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 772 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 949 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A1041 GLN ** A1158 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1165 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1683 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1760 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1837 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2161 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2184 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2253 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2744 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2858 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2872 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2877 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3643 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3809 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3927 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3977 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4078 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4100 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4102 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4650 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4700 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4973 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 23 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 57 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 218 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 308 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 394 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 461 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 479 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 610 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 618 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 705 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 725 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 735 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 949 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1158 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1165 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1683 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1760 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1837 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2161 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2184 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2196 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2253 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2268 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2744 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2763 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2872 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2877 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3643 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3809 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3927 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3970 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4078 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4100 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4102 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4209 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4650 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4700 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B4886 HIS ** B4973 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4987 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 57 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 218 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 308 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 394 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 460 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 461 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 479 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 582 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 610 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 618 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 705 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 725 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 735 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 949 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1158 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1165 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1683 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1760 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1837 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2161 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2184 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2253 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2268 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2744 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2763 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2872 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2877 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3643 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3809 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3927 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4034 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4078 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4100 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4102 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4650 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4700 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C4886 HIS ** C4973 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4987 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 218 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 308 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 379 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 394 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 461 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 479 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 582 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 610 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 618 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 705 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 725 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 735 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 949 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1158 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1165 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1683 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1760 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1837 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2161 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2184 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2253 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2744 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2763 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2872 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2877 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3643 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3809 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3927 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3970 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3977 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4078 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4100 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4102 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4650 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D4886 HIS ** D4973 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 4 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8296 moved from start: 1.5878 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.029 0.277 119724 Z= 1.892 Angle : 2.554 33.475 163324 Z= 1.305 Chirality : 0.102 0.842 19116 Planarity : 0.018 0.239 21488 Dihedral : 14.625 143.391 17724 Min Nonbonded Distance : 1.676 Molprobity Statistics. All-atom Clashscore : 153.82 Ramachandran Plot: Outliers : 1.42 % Allowed : 43.55 % Favored : 55.03 % Rotamer: Outliers : 29.71 % Allowed : 27.85 % Favored : 42.45 % Cbeta Deviations : 0.25 % Peptide Plane: Cis-proline : 0.64 % Cis-general : 0.00 % Twisted Proline : 10.19 % Twisted General : 4.59 % 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: -7.25 (0.05), residues: 12924 helix: -4.69 (0.04), residues: 5184 sheet: -4.17 (0.16), residues: 704 loop : -5.19 (0.05), residues: 7036 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.090 0.009 TRP D1132 HIS 0.039 0.008 HIS B2194 PHE 0.080 0.009 PHE C 674 TYR 0.091 0.009 TYR D4560 ARG 0.050 0.003 ARG A1661 *********************** REFINEMENT MACRO_CYCLE 8 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 25848 Ramachandran restraints generated. 12924 Oldfield, 0 Emsley, 12924 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 25848 Ramachandran restraints generated. 12924 Oldfield, 0 Emsley, 12924 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3434 residues out of total 11344 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2961 poor density : 473 time to evaluate : 8.941 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 12 GLN cc_start: 0.7864 (OUTLIER) cc_final: 0.7441 (mm110) REVERT: A 15 ARG cc_start: 0.8111 (OUTLIER) cc_final: 0.7598 (mtm-85) REVERT: A 67 PHE cc_start: 0.9204 (OUTLIER) cc_final: 0.8791 (m-10) REVERT: A 121 LEU cc_start: 0.8562 (OUTLIER) cc_final: 0.7869 (mm) REVERT: A 152 PRO cc_start: 0.9477 (OUTLIER) cc_final: 0.9228 (Cg_exo) REVERT: A 247 TYR cc_start: 0.8836 (OUTLIER) cc_final: 0.8379 (m-80) REVERT: A 263 GLU cc_start: 0.8968 (OUTLIER) cc_final: 0.8643 (pt0) REVERT: A 283 ARG cc_start: 0.9089 (OUTLIER) cc_final: 0.8615 (ttt-90) REVERT: A 396 GLU cc_start: 0.9247 (OUTLIER) cc_final: 0.8643 (pp20) REVERT: A 475 GLN cc_start: 0.9245 (OUTLIER) cc_final: 0.8920 (pm20) REVERT: A 497 TYR cc_start: 0.9097 (OUTLIER) cc_final: 0.8378 (m-80) REVERT: A 580 GLU cc_start: 0.9134 (OUTLIER) cc_final: 0.8849 (tm-30) REVERT: A 597 HIS cc_start: 0.8111 (OUTLIER) cc_final: 0.7801 (t-90) REVERT: A 625 LEU cc_start: 0.8725 (OUTLIER) cc_final: 0.8412 (tt) REVERT: A 663 TYR cc_start: 0.7067 (OUTLIER) cc_final: 0.6117 (t80) REVERT: A 690 GLU cc_start: 0.4532 (OUTLIER) cc_final: 0.4275 (mp0) REVERT: A 714 TYR cc_start: 0.8220 (OUTLIER) cc_final: 0.7353 (m-80) REVERT: A 735 GLN cc_start: 0.8385 (OUTLIER) cc_final: 0.7845 (tp40) REVERT: A 961 MET cc_start: 0.4459 (OUTLIER) cc_final: 0.3442 (mtp) REVERT: A 1076 ARG cc_start: 0.9200 (OUTLIER) cc_final: 0.8225 (ptt90) REVERT: A 1087 ARG cc_start: 0.9100 (OUTLIER) cc_final: 0.8533 (mtt90) REVERT: A 1093 GLU cc_start: 0.8518 (OUTLIER) cc_final: 0.7977 (tm-30) REVERT: A 1100 MET cc_start: 0.8224 (pmm) cc_final: 0.7966 (pmm) REVERT: A 1254 HIS cc_start: 0.8792 (OUTLIER) cc_final: 0.8303 (m-70) REVERT: A 1260 MET cc_start: 0.8330 (ppp) cc_final: 0.7641 (ppp) REVERT: A 1590 GLN cc_start: 0.9214 (OUTLIER) cc_final: 0.8270 (tp40) REVERT: A 1595 LEU cc_start: 0.9336 (OUTLIER) cc_final: 0.9085 (mp) REVERT: A 1605 TRP cc_start: 0.8890 (OUTLIER) cc_final: 0.8307 (m-10) REVERT: A 1648 MET cc_start: 0.9238 (OUTLIER) cc_final: 0.8456 (ttm) REVERT: A 1652 GLU cc_start: 0.9147 (OUTLIER) cc_final: 0.8186 (pp20) REVERT: A 1721 GLU cc_start: 0.8908 (OUTLIER) cc_final: 0.8548 (tm-30) REVERT: A 1772 ARG cc_start: 0.8701 (OUTLIER) cc_final: 0.8074 (mmt180) REVERT: A 1813 ARG cc_start: 0.9127 (OUTLIER) cc_final: 0.8680 (ptm-80) REVERT: A 1928 GLN cc_start: 0.9452 (OUTLIER) cc_final: 0.8905 (mp10) REVERT: A 1929 MET cc_start: 0.8381 (mpt) cc_final: 0.7808 (mpt) REVERT: A 2104 ARG cc_start: 0.9310 (OUTLIER) cc_final: 0.8943 (ptt-90) REVERT: A 2118 ARG cc_start: 0.9232 (OUTLIER) cc_final: 0.8846 (ttp80) REVERT: A 2120 MET cc_start: 0.8944 (OUTLIER) cc_final: 0.8669 (ppp) REVERT: A 2186 MET cc_start: 0.9369 (OUTLIER) cc_final: 0.8959 (mmm) REVERT: A 2228 MET cc_start: 0.9032 (OUTLIER) cc_final: 0.8767 (mmm) REVERT: A 2330 ARG cc_start: 0.8270 (OUTLIER) cc_final: 0.7864 (ttt180) REVERT: A 2472 LEU cc_start: 0.8504 (OUTLIER) cc_final: 0.7889 (mt) REVERT: A 2790 MET cc_start: 0.0884 (tmm) cc_final: 0.0510 (tpt) REVERT: A 2827 ARG cc_start: 0.7767 (OUTLIER) cc_final: 0.6728 (mtt90) REVERT: A 2935 TYR cc_start: 0.6321 (OUTLIER) cc_final: 0.5590 (m-80) REVERT: A 3697 PRO cc_start: 0.9335 (OUTLIER) cc_final: 0.9037 (Cg_endo) REVERT: A 3718 GLU cc_start: 0.9498 (OUTLIER) cc_final: 0.9217 (mm-30) REVERT: A 3753 PHE cc_start: 0.8515 (OUTLIER) cc_final: 0.7944 (t80) REVERT: A 3836 MET cc_start: 0.9229 (OUTLIER) cc_final: 0.8690 (ppp) REVERT: A 3875 MET cc_start: 0.8739 (tpt) cc_final: 0.8276 (tpt) REVERT: A 3890 LEU cc_start: 0.9281 (OUTLIER) cc_final: 0.9069 (tp) REVERT: A 3937 TYR cc_start: 0.8305 (OUTLIER) cc_final: 0.8039 (m-80) REVERT: A 3986 TRP cc_start: 0.9185 (OUTLIER) cc_final: 0.8795 (m100) REVERT: A 3987 ASP cc_start: 0.9455 (OUTLIER) cc_final: 0.9055 (p0) REVERT: A 4014 LYS cc_start: 0.9686 (OUTLIER) cc_final: 0.9485 (pttm) REVERT: A 4088 ILE cc_start: 0.7057 (OUTLIER) cc_final: 0.6825 (tt) REVERT: A 4195 PHE cc_start: 0.9195 (OUTLIER) cc_final: 0.8844 (p90) REVERT: A 4205 TRP cc_start: 0.8987 (OUTLIER) cc_final: 0.8598 (t-100) REVERT: A 4212 GLU cc_start: 0.9392 (OUTLIER) cc_final: 0.9000 (pp20) REVERT: A 4563 ARG cc_start: 0.8523 (OUTLIER) cc_final: 0.8115 (tpp80) REVERT: A 4639 MET cc_start: 0.1220 (ptt) cc_final: 0.0156 (mtt) REVERT: A 4674 GLU cc_start: 0.9537 (OUTLIER) cc_final: 0.9233 (tp30) REVERT: A 4780 PHE cc_start: 0.9288 (OUTLIER) cc_final: 0.8896 (m-80) REVERT: A 4807 PHE cc_start: 0.6901 (OUTLIER) cc_final: 0.6171 (p90) REVERT: A 4886 HIS cc_start: 0.9227 (OUTLIER) cc_final: 0.8318 (m90) REVERT: A 4901 ILE cc_start: 0.6528 (OUTLIER) cc_final: 0.6210 (tp) REVERT: A 4913 ARG cc_start: 0.8072 (OUTLIER) cc_final: 0.7795 (ttm170) REVERT: A 4989 MET cc_start: 0.9226 (mmp) cc_final: 0.8925 (mmp) REVERT: A 5014 TYR cc_start: 0.9482 (OUTLIER) cc_final: 0.9226 (t80) REVERT: B 12 GLN cc_start: 0.7809 (OUTLIER) cc_final: 0.7582 (mm110) REVERT: B 15 ARG cc_start: 0.8188 (OUTLIER) cc_final: 0.7985 (mtm-85) REVERT: B 67 PHE cc_start: 0.9202 (OUTLIER) cc_final: 0.8845 (m-10) REVERT: B 121 LEU cc_start: 0.8595 (OUTLIER) cc_final: 0.7912 (mm) REVERT: B 152 PRO cc_start: 0.9477 (OUTLIER) cc_final: 0.9218 (Cg_exo) REVERT: B 247 TYR cc_start: 0.8806 (OUTLIER) cc_final: 0.8368 (m-80) REVERT: B 275 ARG cc_start: 0.8455 (OUTLIER) cc_final: 0.7937 (mtm180) REVERT: B 283 ARG cc_start: 0.9142 (OUTLIER) cc_final: 0.8670 (ttt-90) REVERT: B 497 TYR cc_start: 0.9098 (OUTLIER) cc_final: 0.8404 (m-80) REVERT: B 580 GLU cc_start: 0.9129 (OUTLIER) cc_final: 0.8817 (tm-30) REVERT: B 663 TYR cc_start: 0.7132 (OUTLIER) cc_final: 0.6222 (t80) REVERT: B 690 GLU cc_start: 0.4538 (OUTLIER) cc_final: 0.4273 (mp0) REVERT: B 714 TYR cc_start: 0.8212 (OUTLIER) cc_final: 0.7338 (m-80) REVERT: B 735 GLN cc_start: 0.8386 (OUTLIER) cc_final: 0.7696 (tp40) REVERT: B 961 MET cc_start: 0.4729 (OUTLIER) cc_final: 0.3443 (ptp) REVERT: B 1087 ARG cc_start: 0.9104 (OUTLIER) cc_final: 0.8536 (mtt90) REVERT: B 1093 GLU cc_start: 0.8536 (OUTLIER) cc_final: 0.7991 (tm-30) REVERT: B 1095 VAL cc_start: 0.8555 (OUTLIER) cc_final: 0.8139 (m) REVERT: B 1100 MET cc_start: 0.8219 (pmm) cc_final: 0.7815 (pmm) REVERT: B 1254 HIS cc_start: 0.8793 (OUTLIER) cc_final: 0.8301 (m-70) REVERT: B 1260 MET cc_start: 0.8341 (ppp) cc_final: 0.7650 (ppp) REVERT: B 1590 GLN cc_start: 0.9198 (OUTLIER) cc_final: 0.8265 (tp40) REVERT: B 1595 LEU cc_start: 0.9342 (OUTLIER) cc_final: 0.9108 (mp) REVERT: B 1605 TRP cc_start: 0.8854 (OUTLIER) cc_final: 0.8591 (m-10) REVERT: B 1648 MET cc_start: 0.9223 (OUTLIER) cc_final: 0.8454 (ttm) REVERT: B 1652 GLU cc_start: 0.9137 (OUTLIER) cc_final: 0.8209 (pp20) REVERT: B 1663 HIS cc_start: 0.8996 (OUTLIER) cc_final: 0.8588 (t70) REVERT: B 1721 GLU cc_start: 0.8914 (OUTLIER) cc_final: 0.8548 (tm-30) REVERT: B 1772 ARG cc_start: 0.8711 (OUTLIER) cc_final: 0.8077 (mmt180) REVERT: B 1813 ARG cc_start: 0.9119 (OUTLIER) cc_final: 0.8654 (ptm-80) REVERT: B 1861 GLN cc_start: 0.8995 (OUTLIER) cc_final: 0.8728 (tm-30) REVERT: B 1928 GLN cc_start: 0.9452 (OUTLIER) cc_final: 0.8906 (mp10) REVERT: B 1929 MET cc_start: 0.8389 (mpt) cc_final: 0.7795 (mpt) REVERT: B 2104 ARG cc_start: 0.9297 (OUTLIER) cc_final: 0.8898 (ptt-90) REVERT: B 2118 ARG cc_start: 0.9236 (OUTLIER) cc_final: 0.8846 (ttp80) REVERT: B 2120 MET cc_start: 0.8974 (OUTLIER) cc_final: 0.8649 (ppp) REVERT: B 2186 MET cc_start: 0.9367 (OUTLIER) cc_final: 0.8958 (mmm) REVERT: B 2228 MET cc_start: 0.9030 (OUTLIER) cc_final: 0.8743 (mmm) REVERT: B 2330 ARG cc_start: 0.8262 (OUTLIER) cc_final: 0.7821 (ttt180) REVERT: B 2472 LEU cc_start: 0.8466 (OUTLIER) cc_final: 0.7832 (mt) REVERT: B 2827 ARG cc_start: 0.7853 (OUTLIER) cc_final: 0.6898 (mtt90) REVERT: B 2935 TYR cc_start: 0.6340 (OUTLIER) cc_final: 0.5612 (m-80) REVERT: B 3673 MET cc_start: 0.9377 (mmt) cc_final: 0.9098 (mmt) REVERT: B 3697 PRO cc_start: 0.9332 (OUTLIER) cc_final: 0.9035 (Cg_endo) REVERT: B 3718 GLU cc_start: 0.9436 (OUTLIER) cc_final: 0.9020 (mm-30) REVERT: B 3753 PHE cc_start: 0.9008 (OUTLIER) cc_final: 0.8640 (t80) REVERT: B 3758 MET cc_start: 0.8741 (OUTLIER) cc_final: 0.8524 (ppp) REVERT: B 3836 MET cc_start: 0.9224 (OUTLIER) cc_final: 0.8684 (ppp) REVERT: B 3875 MET cc_start: 0.8656 (tpt) cc_final: 0.8071 (tpt) REVERT: B 3890 LEU cc_start: 0.9272 (OUTLIER) cc_final: 0.9047 (tp) REVERT: B 3937 TYR cc_start: 0.8320 (OUTLIER) cc_final: 0.8060 (m-80) REVERT: B 3970 GLN cc_start: 0.8819 (OUTLIER) cc_final: 0.8362 (tm-30) REVERT: B 3986 TRP cc_start: 0.9194 (OUTLIER) cc_final: 0.8804 (m100) REVERT: B 3987 ASP cc_start: 0.9452 (OUTLIER) cc_final: 0.9054 (p0) REVERT: B 4180 ARG cc_start: 0.6666 (OUTLIER) cc_final: 0.6397 (mtp-110) REVERT: B 4195 PHE cc_start: 0.9250 (OUTLIER) cc_final: 0.8781 (p90) REVERT: B 4205 TRP cc_start: 0.8985 (OUTLIER) cc_final: 0.8674 (t-100) REVERT: B 4212 GLU cc_start: 0.9389 (OUTLIER) cc_final: 0.9059 (pp20) REVERT: B 4548 ARG cc_start: 0.9159 (OUTLIER) cc_final: 0.8781 (mtp180) REVERT: B 4563 ARG cc_start: 0.8527 (OUTLIER) cc_final: 0.8131 (tpp80) REVERT: B 4639 MET cc_start: 0.1343 (ptt) cc_final: 0.0278 (mtt) REVERT: B 4674 GLU cc_start: 0.9528 (OUTLIER) cc_final: 0.9239 (tp30) REVERT: B 4780 PHE cc_start: 0.9261 (OUTLIER) cc_final: 0.8896 (m-80) REVERT: B 4807 PHE cc_start: 0.6912 (OUTLIER) cc_final: 0.6229 (p90) REVERT: B 4874 MET cc_start: 0.8922 (mmm) cc_final: 0.8711 (mmm) REVERT: B 4901 ILE cc_start: 0.6529 (OUTLIER) cc_final: 0.6211 (tp) REVERT: B 4913 ARG cc_start: 0.8079 (OUTLIER) cc_final: 0.7788 (ttm170) REVERT: B 5014 TYR cc_start: 0.9413 (OUTLIER) cc_final: 0.9148 (t80) REVERT: C 15 ARG cc_start: 0.8470 (OUTLIER) cc_final: 0.7980 (mtm-85) REVERT: C 67 PHE cc_start: 0.9189 (OUTLIER) cc_final: 0.8823 (m-10) REVERT: C 121 LEU cc_start: 0.8562 (OUTLIER) cc_final: 0.7873 (mm) REVERT: C 152 PRO cc_start: 0.9487 (OUTLIER) cc_final: 0.9212 (Cg_exo) REVERT: C 247 TYR cc_start: 0.8843 (OUTLIER) cc_final: 0.8370 (m-80) REVERT: C 275 ARG cc_start: 0.8426 (OUTLIER) cc_final: 0.7917 (mtm180) REVERT: C 283 ARG cc_start: 0.9146 (OUTLIER) cc_final: 0.8669 (ttt-90) REVERT: C 394 GLN cc_start: 0.7193 (OUTLIER) cc_final: 0.6595 (mp10) REVERT: C 396 GLU cc_start: 0.9255 (OUTLIER) cc_final: 0.8642 (pp20) REVERT: C 411 TYR cc_start: 0.9171 (OUTLIER) cc_final: 0.8957 (m-80) REVERT: C 475 GLN cc_start: 0.9247 (OUTLIER) cc_final: 0.8922 (pm20) REVERT: C 497 TYR cc_start: 0.9092 (OUTLIER) cc_final: 0.8391 (m-80) REVERT: C 580 GLU cc_start: 0.9142 (OUTLIER) cc_final: 0.8818 (tm-30) REVERT: C 663 TYR cc_start: 0.7131 (OUTLIER) cc_final: 0.6225 (t80) REVERT: C 690 GLU cc_start: 0.4527 (OUTLIER) cc_final: 0.4263 (mp0) REVERT: C 714 TYR cc_start: 0.8239 (OUTLIER) cc_final: 0.7335 (m-80) REVERT: C 735 GLN cc_start: 0.8535 (OUTLIER) cc_final: 0.7834 (tp40) REVERT: C 961 MET cc_start: 0.4407 (OUTLIER) cc_final: 0.3236 (ptp) REVERT: C 1087 ARG cc_start: 0.9103 (OUTLIER) cc_final: 0.8534 (mtt90) REVERT: C 1093 GLU cc_start: 0.8519 (OUTLIER) cc_final: 0.7967 (tm-30) REVERT: C 1100 MET cc_start: 0.8213 (pmm) cc_final: 0.7810 (pmm) REVERT: C 1254 HIS cc_start: 0.8795 (OUTLIER) cc_final: 0.8302 (m-70) REVERT: C 1260 MET cc_start: 0.8331 (ppp) cc_final: 0.7635 (ppp) REVERT: C 1590 GLN cc_start: 0.9095 (OUTLIER) cc_final: 0.8364 (mm-40) REVERT: C 1595 LEU cc_start: 0.9334 (OUTLIER) cc_final: 0.9101 (mp) REVERT: C 1605 TRP cc_start: 0.8852 (OUTLIER) cc_final: 0.8571 (m-10) REVERT: C 1648 MET cc_start: 0.9231 (OUTLIER) cc_final: 0.8611 (ttm) REVERT: C 1652 GLU cc_start: 0.9142 (OUTLIER) cc_final: 0.8259 (pp20) REVERT: C 1663 HIS cc_start: 0.9022 (OUTLIER) cc_final: 0.8614 (t70) REVERT: C 1721 GLU cc_start: 0.8916 (OUTLIER) cc_final: 0.8556 (tm-30) REVERT: C 1772 ARG cc_start: 0.8696 (OUTLIER) cc_final: 0.8067 (mmt180) REVERT: C 1813 ARG cc_start: 0.9116 (OUTLIER) cc_final: 0.8659 (ptm-80) REVERT: C 1861 GLN cc_start: 0.8979 (OUTLIER) cc_final: 0.8779 (tm-30) REVERT: C 1928 GLN cc_start: 0.9451 (OUTLIER) cc_final: 0.8913 (mp10) REVERT: C 1929 MET cc_start: 0.8379 (mpt) cc_final: 0.7801 (mpt) REVERT: C 2104 ARG cc_start: 0.9306 (OUTLIER) cc_final: 0.8902 (ptt-90) REVERT: C 2118 ARG cc_start: 0.9236 (OUTLIER) cc_final: 0.8842 (ttp80) REVERT: C 2120 MET cc_start: 0.8959 (OUTLIER) cc_final: 0.8643 (ppp) REVERT: C 2186 MET cc_start: 0.9369 (OUTLIER) cc_final: 0.8958 (mmm) REVERT: C 2228 MET cc_start: 0.9035 (OUTLIER) cc_final: 0.8770 (mmm) REVERT: C 2330 ARG cc_start: 0.8250 (OUTLIER) cc_final: 0.7806 (ttt180) REVERT: C 2472 LEU cc_start: 0.8465 (OUTLIER) cc_final: 0.7831 (mt) REVERT: C 2827 ARG cc_start: 0.7834 (OUTLIER) cc_final: 0.6868 (mtt90) REVERT: C 2935 TYR cc_start: 0.6339 (OUTLIER) cc_final: 0.5605 (m-80) REVERT: C 3697 PRO cc_start: 0.9335 (OUTLIER) cc_final: 0.9040 (Cg_endo) REVERT: C 3725 TYR cc_start: 0.9547 (OUTLIER) cc_final: 0.8981 (t80) REVERT: C 3753 PHE cc_start: 0.8492 (OUTLIER) cc_final: 0.7938 (t80) REVERT: C 3836 MET cc_start: 0.9228 (OUTLIER) cc_final: 0.8689 (ppp) REVERT: C 3875 MET cc_start: 0.8741 (tpt) cc_final: 0.8273 (tpt) REVERT: C 3890 LEU cc_start: 0.9282 (OUTLIER) cc_final: 0.9073 (tp) REVERT: C 3937 TYR cc_start: 0.8302 (OUTLIER) cc_final: 0.8038 (m-80) REVERT: C 3986 TRP cc_start: 0.9192 (OUTLIER) cc_final: 0.8796 (m100) REVERT: C 3987 ASP cc_start: 0.9456 (OUTLIER) cc_final: 0.9054 (p0) REVERT: C 4014 LYS cc_start: 0.9685 (OUTLIER) cc_final: 0.9460 (pttm) REVERT: C 4016 LEU cc_start: 0.8960 (OUTLIER) cc_final: 0.8744 (tp) REVERT: C 4088 ILE cc_start: 0.7146 (OUTLIER) cc_final: 0.6917 (tt) REVERT: C 4180 ARG cc_start: 0.6759 (OUTLIER) cc_final: 0.6482 (mtp-110) REVERT: C 4195 PHE cc_start: 0.9174 (OUTLIER) cc_final: 0.8183 (p90) REVERT: C 4205 TRP cc_start: 0.8963 (OUTLIER) cc_final: 0.8639 (t-100) REVERT: C 4212 GLU cc_start: 0.9388 (OUTLIER) cc_final: 0.8958 (pp20) REVERT: C 4548 ARG cc_start: 0.9162 (OUTLIER) cc_final: 0.8781 (mtp180) REVERT: C 4563 ARG cc_start: 0.8536 (OUTLIER) cc_final: 0.8135 (tpp80) REVERT: C 4639 MET cc_start: 0.1241 (ptt) cc_final: 0.0162 (mtt) REVERT: C 4674 GLU cc_start: 0.9534 (OUTLIER) cc_final: 0.9228 (tp30) REVERT: C 4780 PHE cc_start: 0.9291 (OUTLIER) cc_final: 0.8898 (m-80) REVERT: C 4807 PHE cc_start: 0.6905 (OUTLIER) cc_final: 0.6178 (p90) REVERT: C 4901 ILE cc_start: 0.6543 (OUTLIER) cc_final: 0.6225 (tp) REVERT: C 4913 ARG cc_start: 0.8063 (OUTLIER) cc_final: 0.7784 (ttm170) REVERT: C 4991 PHE cc_start: 0.9571 (OUTLIER) cc_final: 0.8821 (t80) REVERT: C 5014 TYR cc_start: 0.9477 (OUTLIER) cc_final: 0.9211 (t80) REVERT: D 12 GLN cc_start: 0.7783 (OUTLIER) cc_final: 0.7377 (mm110) REVERT: D 15 ARG cc_start: 0.8193 (OUTLIER) cc_final: 0.7691 (mtm-85) REVERT: D 67 PHE cc_start: 0.9195 (OUTLIER) cc_final: 0.8843 (m-10) REVERT: D 121 LEU cc_start: 0.8616 (OUTLIER) cc_final: 0.7941 (mm) REVERT: D 152 PRO cc_start: 0.9468 (OUTLIER) cc_final: 0.9221 (Cg_exo) REVERT: D 247 TYR cc_start: 0.8848 (OUTLIER) cc_final: 0.8380 (m-80) REVERT: D 275 ARG cc_start: 0.8427 (OUTLIER) cc_final: 0.7922 (mtm180) REVERT: D 283 ARG cc_start: 0.9160 (OUTLIER) cc_final: 0.8693 (ttt-90) REVERT: D 394 GLN cc_start: 0.7218 (OUTLIER) cc_final: 0.6589 (mp10) REVERT: D 396 GLU cc_start: 0.9255 (OUTLIER) cc_final: 0.8642 (pp20) REVERT: D 497 TYR cc_start: 0.9095 (OUTLIER) cc_final: 0.8413 (m-80) REVERT: D 580 GLU cc_start: 0.9141 (OUTLIER) cc_final: 0.8856 (tm-30) REVERT: D 597 HIS cc_start: 0.8071 (m-70) cc_final: 0.7860 (t-90) REVERT: D 625 LEU cc_start: 0.8798 (OUTLIER) cc_final: 0.8493 (tt) REVERT: D 663 TYR cc_start: 0.7186 (OUTLIER) cc_final: 0.6208 (t80) REVERT: D 690 GLU cc_start: 0.4538 (OUTLIER) cc_final: 0.4271 (mp0) REVERT: D 714 TYR cc_start: 0.8218 (OUTLIER) cc_final: 0.7332 (m-80) REVERT: D 735 GLN cc_start: 0.8395 (OUTLIER) cc_final: 0.7887 (tp40) REVERT: D 961 MET cc_start: 0.4409 (OUTLIER) cc_final: 0.3240 (ptp) REVERT: D 1076 ARG cc_start: 0.9199 (OUTLIER) cc_final: 0.8172 (ptt90) REVERT: D 1087 ARG cc_start: 0.9100 (OUTLIER) cc_final: 0.8532 (mtt90) REVERT: D 1100 MET cc_start: 0.8225 (pmm) cc_final: 0.7970 (pmm) REVERT: D 1254 HIS cc_start: 0.8791 (OUTLIER) cc_final: 0.8299 (m-70) REVERT: D 1260 MET cc_start: 0.8333 (ppp) cc_final: 0.7637 (ppp) REVERT: D 1590 GLN cc_start: 0.9205 (OUTLIER) cc_final: 0.8280 (tp40) REVERT: D 1595 LEU cc_start: 0.9346 (OUTLIER) cc_final: 0.9111 (mp) REVERT: D 1605 TRP cc_start: 0.8892 (OUTLIER) cc_final: 0.8294 (m-10) REVERT: D 1648 MET cc_start: 0.9228 (OUTLIER) cc_final: 0.8607 (ttm) REVERT: D 1652 GLU cc_start: 0.9139 (OUTLIER) cc_final: 0.8260 (pp20) REVERT: D 1663 HIS cc_start: 0.9006 (OUTLIER) cc_final: 0.8593 (t70) REVERT: D 1721 GLU cc_start: 0.8913 (OUTLIER) cc_final: 0.8547 (tm-30) REVERT: D 1760 HIS cc_start: 0.6391 (OUTLIER) cc_final: 0.6150 (m170) REVERT: D 1772 ARG cc_start: 0.8703 (OUTLIER) cc_final: 0.8068 (mmt180) REVERT: D 1810 LYS cc_start: 0.9492 (OUTLIER) cc_final: 0.9259 (tptm) REVERT: D 1813 ARG cc_start: 0.9115 (OUTLIER) cc_final: 0.8654 (ptm-80) REVERT: D 1861 GLN cc_start: 0.8980 (OUTLIER) cc_final: 0.8779 (tm-30) REVERT: D 1928 GLN cc_start: 0.9451 (OUTLIER) cc_final: 0.8905 (mp10) REVERT: D 1929 MET cc_start: 0.8385 (mpt) cc_final: 0.7816 (mpt) REVERT: D 1997 GLU cc_start: 0.8378 (OUTLIER) cc_final: 0.7857 (mp0) REVERT: D 2104 ARG cc_start: 0.9309 (OUTLIER) cc_final: 0.8944 (ptt-90) REVERT: D 2118 ARG cc_start: 0.9230 (OUTLIER) cc_final: 0.8848 (ttp80) REVERT: D 2120 MET cc_start: 0.8965 (OUTLIER) cc_final: 0.8609 (ppp) REVERT: D 2186 MET cc_start: 0.9366 (OUTLIER) cc_final: 0.8948 (mmm) REVERT: D 2228 MET cc_start: 0.9035 (OUTLIER) cc_final: 0.8770 (mmm) REVERT: D 2330 ARG cc_start: 0.8281 (OUTLIER) cc_final: 0.7822 (ttt180) REVERT: D 2472 LEU cc_start: 0.8550 (OUTLIER) cc_final: 0.8083 (mp) REVERT: D 2790 MET cc_start: 0.1191 (tmm) cc_final: 0.0845 (tpt) REVERT: D 2827 ARG cc_start: 0.7906 (OUTLIER) cc_final: 0.7052 (mtt90) REVERT: D 2935 TYR cc_start: 0.6301 (OUTLIER) cc_final: 0.5572 (m-80) REVERT: D 3697 PRO cc_start: 0.9341 (OUTLIER) cc_final: 0.9045 (Cg_endo) REVERT: D 3718 GLU cc_start: 0.9426 (OUTLIER) cc_final: 0.9096 (mm-30) REVERT: D 3753 PHE cc_start: 0.8476 (OUTLIER) cc_final: 0.7919 (t80) REVERT: D 3836 MET cc_start: 0.9226 (OUTLIER) cc_final: 0.8685 (ppp) REVERT: D 3875 MET cc_start: 0.8652 (tpt) cc_final: 0.8098 (tpt) REVERT: D 3890 LEU cc_start: 0.9271 (OUTLIER) cc_final: 0.9052 (tp) REVERT: D 3937 TYR cc_start: 0.8330 (OUTLIER) cc_final: 0.8067 (m-80) REVERT: D 3970 GLN cc_start: 0.8793 (OUTLIER) cc_final: 0.8352 (tm-30) REVERT: D 3987 ASP cc_start: 0.9468 (OUTLIER) cc_final: 0.9106 (p0) REVERT: D 4014 LYS cc_start: 0.9687 (OUTLIER) cc_final: 0.9468 (pttm) REVERT: D 4180 ARG cc_start: 0.6662 (OUTLIER) cc_final: 0.6426 (mtp-110) REVERT: D 4195 PHE cc_start: 0.9195 (OUTLIER) cc_final: 0.8835 (p90) REVERT: D 4205 TRP cc_start: 0.9068 (OUTLIER) cc_final: 0.8692 (t-100) REVERT: D 4212 GLU cc_start: 0.9401 (OUTLIER) cc_final: 0.9012 (pp20) REVERT: D 4639 MET cc_start: 0.1195 (ptt) cc_final: 0.0302 (mtt) REVERT: D 4674 GLU cc_start: 0.9528 (OUTLIER) cc_final: 0.9236 (tp30) REVERT: D 4780 PHE cc_start: 0.9294 (OUTLIER) cc_final: 0.8899 (m-80) REVERT: D 4807 PHE cc_start: 0.7028 (OUTLIER) cc_final: 0.6168 (p90) REVERT: D 4818 MET cc_start: 0.7862 (OUTLIER) cc_final: 0.7299 (tpt) REVERT: D 4901 ILE cc_start: 0.6475 (OUTLIER) cc_final: 0.6152 (tp) REVERT: D 4913 ARG cc_start: 0.8067 (OUTLIER) cc_final: 0.7784 (ttm170) REVERT: D 5014 TYR cc_start: 0.9434 (OUTLIER) cc_final: 0.9200 (t80) outliers start: 2961 outliers final: 2313 residues processed: 3293 average time/residue: 1.0058 time to fit residues: 5915.8819 Evaluate side-chains 3033 residues out of total 11344 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2565 poor density : 468 time to evaluate : 8.878 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 12 GLN Chi-restraints excluded: chain A residue 14 LEU Chi-restraints excluded: chain A residue 15 ARG Chi-restraints excluded: chain A residue 16 THR Chi-restraints excluded: chain A residue 17 ASP Chi-restraints excluded: chain A residue 18 ASP Chi-restraints excluded: chain A residue 19 GLU Chi-restraints excluded: chain A residue 29 LEU Chi-restraints excluded: chain A residue 35 LEU Chi-restraints excluded: chain A residue 40 GLU Chi-restraints excluded: chain A residue 44 ASN Chi-restraints excluded: chain A residue 49 LEU Chi-restraints excluded: chain A residue 52 THR Chi-restraints excluded: chain A residue 62 LEU Chi-restraints excluded: chain A residue 66 CYS Chi-restraints excluded: chain A residue 67 PHE Chi-restraints excluded: chain A residue 69 LEU Chi-restraints excluded: chain A residue 70 GLU Chi-restraints excluded: chain A residue 73 LEU Chi-restraints excluded: chain A residue 74 SER Chi-restraints excluded: chain A residue 75 VAL Chi-restraints excluded: chain A residue 76 ARG Chi-restraints excluded: chain A residue 78 LEU Chi-restraints excluded: chain A residue 81 MET Chi-restraints excluded: chain A residue 100 THR Chi-restraints excluded: chain A residue 109 LEU Chi-restraints excluded: chain A residue 111 HIS Chi-restraints excluded: chain A residue 113 HIS Chi-restraints excluded: chain A residue 121 LEU Chi-restraints excluded: chain A residue 122 THR Chi-restraints excluded: chain A residue 123 THR Chi-restraints excluded: chain A residue 124 SER Chi-restraints excluded: chain A residue 133 PHE Chi-restraints excluded: chain A residue 134 ASP Chi-restraints excluded: chain A residue 135 VAL Chi-restraints excluded: chain A residue 142 THR Chi-restraints excluded: chain A residue 144 GLU Chi-restraints excluded: chain A residue 149 THR Chi-restraints excluded: chain A residue 152 PRO Chi-restraints excluded: chain A residue 156 GLN Chi-restraints excluded: chain A residue 163 VAL Chi-restraints excluded: chain A residue 165 VAL Chi-restraints excluded: chain A residue 167 ASP Chi-restraints excluded: chain A residue 169 LEU Chi-restraints excluded: chain A residue 173 SER Chi-restraints excluded: chain A residue 175 SER Chi-restraints excluded: chain A residue 179 TYR Chi-restraints excluded: chain A residue 181 HIS Chi-restraints excluded: chain A residue 183 SER Chi-restraints excluded: chain A residue 189 LEU Chi-restraints excluded: chain A residue 191 VAL Chi-restraints excluded: chain A residue 194 SER Chi-restraints excluded: chain A residue 205 ILE Chi-restraints excluded: chain A residue 206 CYS Chi-restraints excluded: chain A residue 208 CYS Chi-restraints excluded: chain A residue 210 GLU Chi-restraints excluded: chain A residue 211 GLU Chi-restraints excluded: chain A residue 220 LEU Chi-restraints excluded: chain A residue 222 LEU Chi-restraints excluded: chain A residue 238 SER Chi-restraints excluded: chain A residue 244 LEU Chi-restraints excluded: chain A residue 246 TYR Chi-restraints excluded: chain A residue 247 TYR Chi-restraints excluded: chain A residue 257 ARG Chi-restraints excluded: chain A residue 262 LEU Chi-restraints excluded: chain A residue 263 GLU Chi-restraints excluded: chain A residue 270 SER Chi-restraints excluded: chain A residue 282 ILE Chi-restraints excluded: chain A residue 283 ARG Chi-restraints excluded: chain A residue 286 THR Chi-restraints excluded: chain A residue 293 LEU Chi-restraints excluded: chain A residue 294 THR Chi-restraints excluded: chain A residue 299 LEU Chi-restraints excluded: chain A residue 312 THR Chi-restraints excluded: chain A residue 313 SER Chi-restraints excluded: chain A residue 319 SER Chi-restraints excluded: chain A residue 343 GLU Chi-restraints excluded: chain A residue 357 LEU Chi-restraints excluded: chain A residue 358 THR Chi-restraints excluded: chain A residue 359 TYR Chi-restraints excluded: chain A residue 372 LEU Chi-restraints excluded: chain A residue 373 LYS Chi-restraints excluded: chain A residue 383 HIS Chi-restraints excluded: chain A residue 390 LEU Chi-restraints excluded: chain A residue 396 GLU Chi-restraints excluded: chain A residue 397 GLU Chi-restraints excluded: chain A residue 398 SER Chi-restraints excluded: chain A residue 403 MET Chi-restraints excluded: chain A residue 404 ILE Chi-restraints excluded: chain A residue 410 LEU Chi-restraints excluded: chain A residue 415 ILE Chi-restraints excluded: chain A residue 420 SER Chi-restraints excluded: chain A residue 438 ILE Chi-restraints excluded: chain A residue 439 GLU Chi-restraints excluded: chain A residue 452 PHE Chi-restraints excluded: chain A residue 455 PRO Chi-restraints excluded: chain A residue 459 LEU Chi-restraints excluded: chain A residue 469 ARG Chi-restraints excluded: chain A residue 475 GLN Chi-restraints excluded: chain A residue 483 MET Chi-restraints excluded: chain A residue 485 SER Chi-restraints excluded: chain A residue 486 LEU Chi-restraints excluded: chain A residue 487 VAL Chi-restraints excluded: chain A residue 488 LEU Chi-restraints excluded: chain A residue 491 ILE Chi-restraints excluded: chain A residue 497 TYR Chi-restraints excluded: chain A residue 506 TYR Chi-restraints excluded: chain A residue 510 GLU Chi-restraints excluded: chain A residue 513 GLU Chi-restraints excluded: chain A residue 514 SER Chi-restraints excluded: chain A residue 515 TRP Chi-restraints excluded: chain A residue 517 GLU Chi-restraints excluded: chain A residue 519 VAL Chi-restraints excluded: chain A residue 522 LEU Chi-restraints excluded: chain A residue 526 LEU Chi-restraints excluded: chain A residue 529 LEU Chi-restraints excluded: chain A residue 530 ILE Chi-restraints excluded: chain A residue 533 ASN Chi-restraints excluded: chain A residue 536 ASN Chi-restraints excluded: chain A residue 539 LEU Chi-restraints excluded: chain A residue 540 PHE Chi-restraints excluded: chain A residue 541 SER Chi-restraints excluded: chain A residue 547 VAL Chi-restraints excluded: chain A residue 561 LEU Chi-restraints excluded: chain A residue 563 VAL Chi-restraints excluded: chain A residue 564 LEU Chi-restraints excluded: chain A residue 569 ILE Chi-restraints excluded: chain A residue 571 SER Chi-restraints excluded: chain A residue 575 LEU Chi-restraints excluded: chain A residue 579 GLN Chi-restraints excluded: chain A residue 580 GLU Chi-restraints excluded: chain A residue 586 ILE Chi-restraints excluded: chain A residue 590 LEU Chi-restraints excluded: chain A residue 591 ASP Chi-restraints excluded: chain A residue 597 HIS Chi-restraints excluded: chain A residue 602 VAL Chi-restraints excluded: chain A residue 605 SER Chi-restraints excluded: chain A residue 609 CYS Chi-restraints excluded: chain A residue 614 VAL Chi-restraints excluded: chain A residue 621 ILE Chi-restraints excluded: chain A residue 622 THR Chi-restraints excluded: chain A residue 625 LEU Chi-restraints excluded: chain A residue 631 LEU Chi-restraints excluded: chain A residue 633 LEU Chi-restraints excluded: chain A residue 635 THR Chi-restraints excluded: chain A residue 638 ILE Chi-restraints excluded: chain A residue 642 THR Chi-restraints excluded: chain A residue 661 LYS Chi-restraints excluded: chain A residue 663 TYR Chi-restraints excluded: chain A residue 665 GLU Chi-restraints excluded: chain A residue 667 MET Chi-restraints excluded: chain A residue 669 ASP Chi-restraints excluded: chain A residue 676 THR Chi-restraints excluded: chain A residue 680 THR Chi-restraints excluded: chain A residue 681 HIS Chi-restraints excluded: chain A residue 682 LEU Chi-restraints excluded: chain A residue 690 GLU Chi-restraints excluded: chain A residue 695 TYR Chi-restraints excluded: chain A residue 702 TRP Chi-restraints excluded: chain A residue 709 ASP Chi-restraints excluded: chain A residue 710 ASP Chi-restraints excluded: chain A residue 712 TYR Chi-restraints excluded: chain A residue 714 TYR Chi-restraints excluded: chain A residue 719 LEU Chi-restraints excluded: chain A residue 730 VAL Chi-restraints excluded: chain A residue 735 GLN Chi-restraints excluded: chain A residue 748 LEU Chi-restraints excluded: chain A residue 749 ASP Chi-restraints excluded: chain A residue 751 SER Chi-restraints excluded: chain A residue 752 VAL Chi-restraints excluded: chain A residue 754 SER Chi-restraints excluded: chain A residue 756 SER Chi-restraints excluded: chain A residue 771 PHE Chi-restraints excluded: chain A residue 772 ASN Chi-restraints excluded: chain A residue 773 LEU Chi-restraints excluded: chain A residue 783 PHE Chi-restraints excluded: chain A residue 797 HIS Chi-restraints excluded: chain A residue 801 LYS Chi-restraints excluded: chain A residue 802 PHE Chi-restraints excluded: chain A residue 815 VAL Chi-restraints excluded: chain A residue 822 ARG Chi-restraints excluded: chain A residue 829 TYR Chi-restraints excluded: chain A residue 839 LEU Chi-restraints excluded: chain A residue 862 VAL Chi-restraints excluded: chain A residue 867 LEU Chi-restraints excluded: chain A residue 869 ARG Chi-restraints excluded: chain A residue 886 ARG Chi-restraints excluded: chain A residue 896 VAL Chi-restraints excluded: chain A residue 900 ASN Chi-restraints excluded: chain A residue 908 VAL Chi-restraints excluded: chain A residue 910 PHE Chi-restraints excluded: chain A residue 923 GLN Chi-restraints excluded: chain A residue 925 SER Chi-restraints excluded: chain A residue 928 THR Chi-restraints excluded: chain A residue 948 ASP Chi-restraints excluded: chain A residue 961 MET Chi-restraints excluded: chain A residue 965 TYR Chi-restraints excluded: chain A residue 971 ASP Chi-restraints excluded: chain A residue 972 LEU Chi-restraints excluded: chain A residue 974 HIS Chi-restraints excluded: chain A residue 978 THR Chi-restraints excluded: chain A residue 1036 ARG Chi-restraints excluded: chain A residue 1045 THR Chi-restraints excluded: chain A residue 1072 VAL Chi-restraints excluded: chain A residue 1076 ARG Chi-restraints excluded: chain A residue 1078 GLU Chi-restraints excluded: chain A residue 1081 TYR Chi-restraints excluded: chain A residue 1087 ARG Chi-restraints excluded: chain A residue 1093 GLU Chi-restraints excluded: chain A residue 1101 ARG Chi-restraints excluded: chain A residue 1108 GLU Chi-restraints excluded: chain A residue 1120 LEU Chi-restraints excluded: chain A residue 1132 TRP Chi-restraints excluded: chain A residue 1133 HIS Chi-restraints excluded: chain A residue 1134 LEU Chi-restraints excluded: chain A residue 1139 PHE Chi-restraints excluded: chain A residue 1143 TRP Chi-restraints excluded: chain A residue 1155 LEU Chi-restraints excluded: chain A residue 1158 ASN Chi-restraints excluded: chain A residue 1160 ILE Chi-restraints excluded: chain A residue 1163 THR Chi-restraints excluded: chain A residue 1169 LEU Chi-restraints excluded: chain A residue 1170 MET Chi-restraints excluded: chain A residue 1172 ASP Chi-restraints excluded: chain A residue 1184 ILE Chi-restraints excluded: chain A residue 1191 VAL Chi-restraints excluded: chain A residue 1201 HIS Chi-restraints excluded: chain A residue 1203 ASN Chi-restraints excluded: chain A residue 1204 LEU Chi-restraints excluded: chain A residue 1209 SER Chi-restraints excluded: chain A residue 1219 LEU Chi-restraints excluded: chain A residue 1226 PHE Chi-restraints excluded: chain A residue 1235 THR Chi-restraints excluded: chain A residue 1240 LYS Chi-restraints excluded: chain A residue 1242 LEU Chi-restraints excluded: chain A residue 1244 GLN Chi-restraints excluded: chain A residue 1248 VAL Chi-restraints excluded: chain A residue 1251 GLU Chi-restraints excluded: chain A residue 1254 HIS Chi-restraints excluded: chain A residue 1266 THR Chi-restraints excluded: chain A residue 1272 LEU Chi-restraints excluded: chain A residue 1575 LEU Chi-restraints excluded: chain A residue 1590 GLN Chi-restraints excluded: chain A residue 1595 LEU Chi-restraints excluded: chain A residue 1597 VAL Chi-restraints excluded: chain A residue 1600 LEU Chi-restraints excluded: chain A residue 1601 MET Chi-restraints excluded: chain A residue 1605 TRP Chi-restraints excluded: chain A residue 1613 LEU Chi-restraints excluded: chain A residue 1630 CYS Chi-restraints excluded: chain A residue 1636 MET Chi-restraints excluded: chain A residue 1639 LEU Chi-restraints excluded: chain A residue 1641 ILE Chi-restraints excluded: chain A residue 1648 MET Chi-restraints excluded: chain A residue 1649 ASP Chi-restraints excluded: chain A residue 1652 GLU Chi-restraints excluded: chain A residue 1654 SER Chi-restraints excluded: chain A residue 1657 LEU Chi-restraints excluded: chain A residue 1658 ASP Chi-restraints excluded: chain A residue 1661 ARG Chi-restraints excluded: chain A residue 1673 VAL Chi-restraints excluded: chain A residue 1679 ASN Chi-restraints excluded: chain A residue 1680 ARG Chi-restraints excluded: chain A residue 1686 CYS Chi-restraints excluded: chain A residue 1694 LEU Chi-restraints excluded: chain A residue 1695 LEU Chi-restraints excluded: chain A residue 1699 GLU Chi-restraints excluded: chain A residue 1700 ASP Chi-restraints excluded: chain A residue 1703 LEU Chi-restraints excluded: chain A residue 1707 LEU Chi-restraints excluded: chain A residue 1713 ASP Chi-restraints excluded: chain A residue 1720 LEU Chi-restraints excluded: chain A residue 1721 GLU Chi-restraints excluded: chain A residue 1731 LEU Chi-restraints excluded: chain A residue 1738 LEU Chi-restraints excluded: chain A residue 1739 THR Chi-restraints excluded: chain A residue 1742 THR Chi-restraints excluded: chain A residue 1743 ARG Chi-restraints excluded: chain A residue 1768 THR Chi-restraints excluded: chain A residue 1770 SER Chi-restraints excluded: chain A residue 1772 ARG Chi-restraints excluded: chain A residue 1778 SER Chi-restraints excluded: chain A residue 1782 PHE Chi-restraints excluded: chain A residue 1786 LEU Chi-restraints excluded: chain A residue 1797 ARG Chi-restraints excluded: chain A residue 1798 LEU Chi-restraints excluded: chain A residue 1813 ARG Chi-restraints excluded: chain A residue 1819 VAL Chi-restraints excluded: chain A residue 1844 LEU Chi-restraints excluded: chain A residue 1848 LEU Chi-restraints excluded: chain A residue 1850 VAL Chi-restraints excluded: chain A residue 1853 ILE Chi-restraints excluded: chain A residue 1856 ASP Chi-restraints excluded: chain A residue 1857 GLU Chi-restraints excluded: chain A residue 1870 VAL Chi-restraints excluded: chain A residue 1928 GLN Chi-restraints excluded: chain A residue 1934 SER Chi-restraints excluded: chain A residue 1935 VAL Chi-restraints excluded: chain A residue 1939 MET Chi-restraints excluded: chain A residue 1942 LEU Chi-restraints excluded: chain A residue 1943 LEU Chi-restraints excluded: chain A residue 1947 CYS Chi-restraints excluded: chain A residue 1951 LEU Chi-restraints excluded: chain A residue 1958 LEU Chi-restraints excluded: chain A residue 1963 GLU Chi-restraints excluded: chain A residue 1964 ARG Chi-restraints excluded: chain A residue 1966 VAL Chi-restraints excluded: chain A residue 1968 LYS Chi-restraints excluded: chain A residue 1976 ARG Chi-restraints excluded: chain A residue 1996 ARG Chi-restraints excluded: chain A residue 2030 ASP Chi-restraints excluded: chain A residue 2031 LEU Chi-restraints excluded: chain A residue 2034 PHE Chi-restraints excluded: chain A residue 2035 HIS Chi-restraints excluded: chain A residue 2039 LEU Chi-restraints excluded: chain A residue 2095 GLN Chi-restraints excluded: chain A residue 2098 VAL Chi-restraints excluded: chain A residue 2101 MET Chi-restraints excluded: chain A residue 2102 VAL Chi-restraints excluded: chain A residue 2103 VAL Chi-restraints excluded: chain A residue 2104 ARG Chi-restraints excluded: chain A residue 2115 GLU Chi-restraints excluded: chain A residue 2117 VAL Chi-restraints excluded: chain A residue 2118 ARG Chi-restraints excluded: chain A residue 2120 MET Chi-restraints excluded: chain A residue 2122 SER Chi-restraints excluded: chain A residue 2125 HIS Chi-restraints excluded: chain A residue 2128 TYR Chi-restraints excluded: chain A residue 2138 LEU Chi-restraints excluded: chain A residue 2143 THR Chi-restraints excluded: chain A residue 2145 SER Chi-restraints excluded: chain A residue 2148 SER Chi-restraints excluded: chain A residue 2150 GLU Chi-restraints excluded: chain A residue 2155 LEU Chi-restraints excluded: chain A residue 2164 SER Chi-restraints excluded: chain A residue 2166 LEU Chi-restraints excluded: chain A residue 2169 GLN Chi-restraints excluded: chain A residue 2184 ASN Chi-restraints excluded: chain A residue 2185 ILE Chi-restraints excluded: chain A residue 2186 MET Chi-restraints excluded: chain A residue 2187 ASN Chi-restraints excluded: chain A residue 2189 LYS Chi-restraints excluded: chain A residue 2203 MET Chi-restraints excluded: chain A residue 2207 VAL Chi-restraints excluded: chain A residue 2225 PHE Chi-restraints excluded: chain A residue 2228 MET Chi-restraints excluded: chain A residue 2229 VAL Chi-restraints excluded: chain A residue 2231 SER Chi-restraints excluded: chain A residue 2232 CYS Chi-restraints excluded: chain A residue 2237 CYS Chi-restraints excluded: chain A residue 2245 GLN Chi-restraints excluded: chain A residue 2246 ASN Chi-restraints excluded: chain A residue 2248 ARG Chi-restraints excluded: chain A residue 2254 LEU Chi-restraints excluded: chain A residue 2256 TYR Chi-restraints excluded: chain A residue 2258 LEU Chi-restraints excluded: chain A residue 2260 ASN Chi-restraints excluded: chain A residue 2275 VAL Chi-restraints excluded: chain A residue 2279 SER Chi-restraints excluded: chain A residue 2280 VAL Chi-restraints excluded: chain A residue 2292 GLU Chi-restraints excluded: chain A residue 2298 VAL Chi-restraints excluded: chain A residue 2330 ARG Chi-restraints excluded: chain A residue 2334 PHE Chi-restraints excluded: chain A residue 2346 VAL Chi-restraints excluded: chain A residue 2348 GLU Chi-restraints excluded: chain A residue 2349 ASN Chi-restraints excluded: chain A residue 2353 VAL Chi-restraints excluded: chain A residue 2354 VAL Chi-restraints excluded: chain A residue 2356 LEU Chi-restraints excluded: chain A residue 2357 LEU Chi-restraints excluded: chain A residue 2368 LEU Chi-restraints excluded: chain A residue 2376 LEU Chi-restraints excluded: chain A residue 2377 LEU Chi-restraints excluded: chain A residue 2380 ILE Chi-restraints excluded: chain A residue 2386 ILE Chi-restraints excluded: chain A residue 2418 LEU Chi-restraints excluded: chain A residue 2432 LEU Chi-restraints excluded: chain A residue 2433 LEU Chi-restraints excluded: chain A residue 2449 GLU Chi-restraints excluded: chain A residue 2451 LEU Chi-restraints excluded: chain A residue 2454 ARG Chi-restraints excluded: chain A residue 2457 LEU Chi-restraints excluded: chain A residue 2460 LEU Chi-restraints excluded: chain A residue 2463 LEU Chi-restraints excluded: chain A residue 2472 LEU Chi-restraints excluded: chain A residue 2756 ASN Chi-restraints excluded: chain A residue 2760 GLU Chi-restraints excluded: chain A residue 2762 THR Chi-restraints excluded: chain A residue 2773 ASN Chi-restraints excluded: chain A residue 2796 THR Chi-restraints excluded: chain A residue 2809 ILE Chi-restraints excluded: chain A residue 2821 TRP Chi-restraints excluded: chain A residue 2827 ARG Chi-restraints excluded: chain A residue 2855 TYR Chi-restraints excluded: chain A residue 2856 ASN Chi-restraints excluded: chain A residue 2862 LEU Chi-restraints excluded: chain A residue 2867 LEU Chi-restraints excluded: chain A residue 2868 SER Chi-restraints excluded: chain A residue 2872 GLN Chi-restraints excluded: chain A residue 2881 ASN Chi-restraints excluded: chain A residue 2888 ARG Chi-restraints excluded: chain A residue 2889 LYS Chi-restraints excluded: chain A residue 2905 LEU Chi-restraints excluded: chain A residue 2906 VAL Chi-restraints excluded: chain A residue 2910 THR Chi-restraints excluded: chain A residue 2911 LEU Chi-restraints excluded: chain A residue 2929 PHE Chi-restraints excluded: chain A residue 2935 TYR Chi-restraints excluded: chain A residue 2938 THR Chi-restraints excluded: chain A residue 3644 LEU Chi-restraints excluded: chain A residue 3646 THR Chi-restraints excluded: chain A residue 3651 ASN Chi-restraints excluded: chain A residue 3652 MET Chi-restraints excluded: chain A residue 3657 TYR Chi-restraints excluded: chain A residue 3661 TRP Chi-restraints excluded: chain A residue 3663 LEU Chi-restraints excluded: chain A residue 3665 GLU Chi-restraints excluded: chain A residue 3666 ASP Chi-restraints excluded: chain A residue 3669 PHE Chi-restraints excluded: chain A residue 3676 ASP Chi-restraints excluded: chain A residue 3679 LYS Chi-restraints excluded: chain A residue 3697 PRO Chi-restraints excluded: chain A residue 3698 LEU Chi-restraints excluded: chain A residue 3702 VAL Chi-restraints excluded: chain A residue 3708 THR Chi-restraints excluded: chain A residue 3711 THR Chi-restraints excluded: chain A residue 3714 SER Chi-restraints excluded: chain A residue 3717 ASP Chi-restraints excluded: chain A residue 3718 GLU Chi-restraints excluded: chain A residue 3720 TYR Chi-restraints excluded: chain A residue 3725 TYR Chi-restraints excluded: chain A residue 3727 ASP Chi-restraints excluded: chain A residue 3753 PHE Chi-restraints excluded: chain A residue 3759 GLU Chi-restraints excluded: chain A residue 3763 LEU Chi-restraints excluded: chain A residue 3766 GLN Chi-restraints excluded: chain A residue 3773 ARG Chi-restraints excluded: chain A residue 3780 LEU Chi-restraints excluded: chain A residue 3786 CYS Chi-restraints excluded: chain A residue 3787 LYS Chi-restraints excluded: chain A residue 3790 THR Chi-restraints excluded: chain A residue 3796 SER Chi-restraints excluded: chain A residue 3797 THR Chi-restraints excluded: chain A residue 3798 LEU Chi-restraints excluded: chain A residue 3802 ILE Chi-restraints excluded: chain A residue 3811 GLU Chi-restraints excluded: chain A residue 3816 MET Chi-restraints excluded: chain A residue 3822 ASP Chi-restraints excluded: chain A residue 3828 PHE Chi-restraints excluded: chain A residue 3836 MET Chi-restraints excluded: chain A residue 3838 THR Chi-restraints excluded: chain A residue 3843 ASP Chi-restraints excluded: chain A residue 3844 LEU Chi-restraints excluded: chain A residue 3847 PHE Chi-restraints excluded: chain A residue 3873 LYS Chi-restraints excluded: chain A residue 3881 THR Chi-restraints excluded: chain A residue 3882 GLN Chi-restraints excluded: chain A residue 3883 ASP Chi-restraints excluded: chain A residue 3884 LEU Chi-restraints excluded: chain A residue 3890 LEU Chi-restraints excluded: chain A residue 3891 LEU Chi-restraints excluded: chain A residue 3895 HIS Chi-restraints excluded: chain A residue 3900 GLN Chi-restraints excluded: chain A residue 3902 TYR Chi-restraints excluded: chain A residue 3907 THR Chi-restraints excluded: chain A residue 3909 ASN Chi-restraints excluded: chain A residue 3913 ILE Chi-restraints excluded: chain A residue 3915 ILE Chi-restraints excluded: chain A residue 3916 ILE Chi-restraints excluded: chain A residue 3917 ILE Chi-restraints excluded: chain A residue 3920 VAL Chi-restraints excluded: chain A residue 3924 LEU Chi-restraints excluded: chain A residue 3927 GLN Chi-restraints excluded: chain A residue 3928 GLU Chi-restraints excluded: chain A residue 3929 SER Chi-restraints excluded: chain A residue 3931 SER Chi-restraints excluded: chain A residue 3932 ASP Chi-restraints excluded: chain A residue 3937 TYR Chi-restraints excluded: chain A residue 3944 GLU Chi-restraints excluded: chain A residue 3946 GLN Chi-restraints excluded: chain A residue 3948 LYS Chi-restraints excluded: chain A residue 3953 LYS Chi-restraints excluded: chain A residue 3957 VAL Chi-restraints excluded: chain A residue 3964 SER Chi-restraints excluded: chain A residue 3974 THR Chi-restraints excluded: chain A residue 3979 SER Chi-restraints excluded: chain A residue 3982 HIS Chi-restraints excluded: chain A residue 3986 TRP Chi-restraints excluded: chain A residue 3987 ASP Chi-restraints excluded: chain A residue 3990 VAL Chi-restraints excluded: chain A residue 3996 PHE Chi-restraints excluded: chain A residue 4011 GLU Chi-restraints excluded: chain A residue 4014 LYS Chi-restraints excluded: chain A residue 4022 ASP Chi-restraints excluded: chain A residue 4023 MET Chi-restraints excluded: chain A residue 4025 VAL Chi-restraints excluded: chain A residue 4035 VAL Chi-restraints excluded: chain A residue 4036 VAL Chi-restraints excluded: chain A residue 4044 MET Chi-restraints excluded: chain A residue 4045 VAL Chi-restraints excluded: chain A residue 4046 ASP Chi-restraints excluded: chain A residue 4049 VAL Chi-restraints excluded: chain A residue 4055 VAL Chi-restraints excluded: chain A residue 4058 ILE Chi-restraints excluded: chain A residue 4059 LEU Chi-restraints excluded: chain A residue 4063 ASP Chi-restraints excluded: chain A residue 4066 LEU Chi-restraints excluded: chain A residue 4068 LEU Chi-restraints excluded: chain A residue 4071 ILE Chi-restraints excluded: chain A residue 4088 ILE Chi-restraints excluded: chain A residue 4090 LYS Chi-restraints excluded: chain A residue 4095 LYS Chi-restraints excluded: chain A residue 4102 GLN Chi-restraints excluded: chain A residue 4109 GLN Chi-restraints excluded: chain A residue 4121 GLU Chi-restraints excluded: chain A residue 4128 PHE Chi-restraints excluded: chain A residue 4134 GLU Chi-restraints excluded: chain A residue 4139 ILE Chi-restraints excluded: chain A residue 4142 ASN Chi-restraints excluded: chain A residue 4143 VAL Chi-restraints excluded: chain A residue 4150 LEU Chi-restraints excluded: chain A residue 4151 SER Chi-restraints excluded: chain A residue 4157 ASP Chi-restraints excluded: chain A residue 4159 ARG Chi-restraints excluded: chain A residue 4160 LEU Chi-restraints excluded: chain A residue 4162 ASN Chi-restraints excluded: chain A residue 4164 LEU Chi-restraints excluded: chain A residue 4166 LEU Chi-restraints excluded: chain A residue 4178 LEU Chi-restraints excluded: chain A residue 4180 ARG Chi-restraints excluded: chain A residue 4181 ILE Chi-restraints excluded: chain A residue 4190 ILE Chi-restraints excluded: chain A residue 4195 PHE Chi-restraints excluded: chain A residue 4200 THR Chi-restraints excluded: chain A residue 4205 TRP Chi-restraints excluded: chain A residue 4206 GLU Chi-restraints excluded: chain A residue 4212 GLU Chi-restraints excluded: chain A residue 4237 PHE Chi-restraints excluded: chain A residue 4238 CYS Chi-restraints excluded: chain A residue 4244 GLU Chi-restraints excluded: chain A residue 4250 GLN Chi-restraints excluded: chain A residue 4251 ILE Chi-restraints excluded: chain A residue 4252 SER Chi-restraints excluded: chain A residue 4546 VAL Chi-restraints excluded: chain A residue 4547 GLN Chi-restraints excluded: chain A residue 4549 VAL Chi-restraints excluded: chain A residue 4558 ASN Chi-restraints excluded: chain A residue 4559 PHE Chi-restraints excluded: chain A residue 4563 ARG Chi-restraints excluded: chain A residue 4565 LEU Chi-restraints excluded: chain A residue 4571 PHE Chi-restraints excluded: chain A residue 4573 ILE Chi-restraints excluded: chain A residue 4576 ILE Chi-restraints excluded: chain A residue 4577 LEU Chi-restraints excluded: chain A residue 4578 LEU Chi-restraints excluded: chain A residue 4582 VAL Chi-restraints excluded: chain A residue 4630 TYR Chi-restraints excluded: chain A residue 4631 PHE Chi-restraints excluded: chain A residue 4632 LEU Chi-restraints excluded: chain A residue 4635 SER Chi-restraints excluded: chain A residue 4638 TYR Chi-restraints excluded: chain A residue 4646 LEU Chi-restraints excluded: chain A residue 4648 LEU Chi-restraints excluded: chain A residue 4649 LEU Chi-restraints excluded: chain A residue 4652 LEU Chi-restraints excluded: chain A residue 4653 VAL Chi-restraints excluded: chain A residue 4656 LEU Chi-restraints excluded: chain A residue 4657 CYS Chi-restraints excluded: chain A residue 4663 CYS Chi-restraints excluded: chain A residue 4666 VAL Chi-restraints excluded: chain A residue 4668 LEU Chi-restraints excluded: chain A residue 4671 PHE Chi-restraints excluded: chain A residue 4674 GLU Chi-restraints excluded: chain A residue 4676 GLU Chi-restraints excluded: chain A residue 4677 LEU Chi-restraints excluded: chain A residue 4682 GLU Chi-restraints excluded: chain A residue 4684 ASP Chi-restraints excluded: chain A residue 4686 LEU Chi-restraints excluded: chain A residue 4688 ILE Chi-restraints excluded: chain A residue 4701 TRP Chi-restraints excluded: chain A residue 4710 SER Chi-restraints excluded: chain A residue 4714 ASN Chi-restraints excluded: chain A residue 4723 LYS Chi-restraints excluded: chain A residue 4727 LYS Chi-restraints excluded: chain A residue 4731 ILE Chi-restraints excluded: chain A residue 4736 ARG Chi-restraints excluded: chain A residue 4739 GLU Chi-restraints excluded: chain A residue 4747 SER Chi-restraints excluded: chain A residue 4770 SER Chi-restraints excluded: chain A residue 4771 ILE Chi-restraints excluded: chain A residue 4774 LYS Chi-restraints excluded: chain A residue 4777 ILE Chi-restraints excluded: chain A residue 4780 PHE Chi-restraints excluded: chain A residue 4782 VAL Chi-restraints excluded: chain A residue 4783 ILE Chi-restraints excluded: chain A residue 4786 ASP Chi-restraints excluded: chain A residue 4791 TYR Chi-restraints excluded: chain A residue 4794 TRP Chi-restraints excluded: chain A residue 4797 VAL Chi-restraints excluded: chain A residue 4798 MET Chi-restraints excluded: chain A residue 4800 LEU Chi-restraints excluded: chain A residue 4807 PHE Chi-restraints excluded: chain A residue 4814 LEU Chi-restraints excluded: chain A residue 4818 MET Chi-restraints excluded: chain A residue 4822 THR Chi-restraints excluded: chain A residue 4827 LEU Chi-restraints excluded: chain A residue 4830 VAL Chi-restraints excluded: chain A residue 4836 GLN Chi-restraints excluded: chain A residue 4838 VAL Chi-restraints excluded: chain A residue 4843 LEU Chi-restraints excluded: chain A residue 4849 TYR Chi-restraints excluded: chain A residue 4852 THR Chi-restraints excluded: chain A residue 4854 VAL Chi-restraints excluded: chain A residue 4864 ASN Chi-restraints excluded: chain A residue 4867 GLU Chi-restraints excluded: chain A residue 4877 ASP Chi-restraints excluded: chain A residue 4886 HIS Chi-restraints excluded: chain A residue 4901 ILE Chi-restraints excluded: chain A residue 4904 PRO Chi-restraints excluded: chain A residue 4913 ARG Chi-restraints excluded: chain A residue 4915 VAL Chi-restraints excluded: chain A residue 4918 ILE Chi-restraints excluded: chain A residue 4919 THR Chi-restraints excluded: chain A residue 4920 PHE Chi-restraints excluded: chain A residue 4921 PHE Chi-restraints excluded: chain A residue 4936 ILE Chi-restraints excluded: chain A residue 4943 LEU Chi-restraints excluded: chain A residue 4945 ASP Chi-restraints excluded: chain A residue 4950 VAL Chi-restraints excluded: chain A residue 4959 PHE Chi-restraints excluded: chain A residue 4966 ASP Chi-restraints excluded: chain A residue 4983 HIS Chi-restraints excluded: chain A residue 4985 LEU Chi-restraints excluded: chain A residue 4990 PHE Chi-restraints excluded: chain A residue 4994 TYR Chi-restraints excluded: chain A residue 4998 LYS Chi-restraints excluded: chain A residue 5010 VAL Chi-restraints excluded: chain A residue 5013 MET Chi-restraints excluded: chain A residue 5014 TYR Chi-restraints excluded: chain A residue 5016 GLU Chi-restraints excluded: chain A residue 5020 ASP Chi-restraints excluded: chain A residue 5027 CYS Chi-restraints excluded: chain B residue 12 GLN Chi-restraints excluded: chain B residue 15 ARG Chi-restraints excluded: chain B residue 16 THR Chi-restraints excluded: chain B residue 17 ASP Chi-restraints excluded: chain B residue 18 ASP Chi-restraints excluded: chain B residue 19 GLU Chi-restraints excluded: chain B residue 29 LEU Chi-restraints excluded: chain B residue 35 LEU Chi-restraints excluded: chain B residue 40 GLU Chi-restraints excluded: chain B residue 44 ASN Chi-restraints excluded: chain B residue 49 LEU Chi-restraints excluded: chain B residue 66 CYS Chi-restraints excluded: chain B residue 67 PHE Chi-restraints excluded: chain B residue 69 LEU Chi-restraints excluded: chain B residue 70 GLU Chi-restraints excluded: chain B residue 73 LEU Chi-restraints excluded: chain B residue 74 SER Chi-restraints excluded: chain B residue 75 VAL Chi-restraints excluded: chain B residue 76 ARG Chi-restraints excluded: chain B residue 78 LEU Chi-restraints excluded: chain B residue 81 MET Chi-restraints excluded: chain B residue 100 THR Chi-restraints excluded: chain B residue 111 HIS Chi-restraints excluded: chain B residue 113 HIS Chi-restraints excluded: chain B residue 121 LEU Chi-restraints excluded: chain B residue 122 THR Chi-restraints excluded: chain B residue 123 THR Chi-restraints excluded: chain B residue 124 SER Chi-restraints excluded: chain B residue 133 PHE Chi-restraints excluded: chain B residue 134 ASP Chi-restraints excluded: chain B residue 135 VAL Chi-restraints excluded: chain B residue 142 THR Chi-restraints excluded: chain B residue 144 GLU Chi-restraints excluded: chain B residue 149 THR Chi-restraints excluded: chain B residue 152 PRO Chi-restraints excluded: chain B residue 156 GLN Chi-restraints excluded: chain B residue 163 VAL Chi-restraints excluded: chain B residue 165 VAL Chi-restraints excluded: chain B residue 167 ASP Chi-restraints excluded: chain B residue 169 LEU Chi-restraints excluded: chain B residue 173 SER Chi-restraints excluded: chain B residue 179 TYR Chi-restraints excluded: chain B residue 181 HIS Chi-restraints excluded: chain B residue 183 SER Chi-restraints excluded: chain B residue 189 LEU Chi-restraints excluded: chain B residue 191 VAL Chi-restraints excluded: chain B residue 205 ILE Chi-restraints excluded: chain B residue 206 CYS Chi-restraints excluded: chain B residue 208 CYS Chi-restraints excluded: chain B residue 210 GLU Chi-restraints excluded: chain B residue 211 GLU Chi-restraints excluded: chain B residue 220 LEU Chi-restraints excluded: chain B residue 222 LEU Chi-restraints excluded: chain B residue 238 SER Chi-restraints excluded: chain B residue 244 LEU Chi-restraints excluded: chain B residue 246 TYR Chi-restraints excluded: chain B residue 247 TYR Chi-restraints excluded: chain B residue 257 ARG Chi-restraints excluded: chain B residue 262 LEU Chi-restraints excluded: chain B residue 270 SER Chi-restraints excluded: chain B residue 275 ARG Chi-restraints excluded: chain B residue 282 ILE Chi-restraints excluded: chain B residue 283 ARG Chi-restraints excluded: chain B residue 286 THR Chi-restraints excluded: chain B residue 293 LEU Chi-restraints excluded: chain B residue 294 THR Chi-restraints excluded: chain B residue 299 LEU Chi-restraints excluded: chain B residue 313 SER Chi-restraints excluded: chain B residue 315 CYS Chi-restraints excluded: chain B residue 343 GLU Chi-restraints excluded: chain B residue 357 LEU Chi-restraints excluded: chain B residue 358 THR Chi-restraints excluded: chain B residue 359 TYR Chi-restraints excluded: chain B residue 372 LEU Chi-restraints excluded: chain B residue 373 LYS Chi-restraints excluded: chain B residue 383 HIS Chi-restraints excluded: chain B residue 390 LEU Chi-restraints excluded: chain B residue 396 GLU Chi-restraints excluded: chain B residue 397 GLU Chi-restraints excluded: chain B residue 398 SER Chi-restraints excluded: chain B residue 403 MET Chi-restraints excluded: chain B residue 404 ILE Chi-restraints excluded: chain B residue 410 LEU Chi-restraints excluded: chain B residue 415 ILE Chi-restraints excluded: chain B residue 420 SER Chi-restraints excluded: chain B residue 438 ILE Chi-restraints excluded: chain B residue 439 GLU Chi-restraints excluded: chain B residue 447 ASP Chi-restraints excluded: chain B residue 452 PHE Chi-restraints excluded: chain B residue 459 LEU Chi-restraints excluded: chain B residue 460 GLN Chi-restraints excluded: chain B residue 462 GLU Chi-restraints excluded: chain B residue 463 GLU Chi-restraints excluded: chain B residue 469 ARG Chi-restraints excluded: chain B residue 483 MET Chi-restraints excluded: chain B residue 485 SER Chi-restraints excluded: chain B residue 486 LEU Chi-restraints excluded: chain B residue 487 VAL Chi-restraints excluded: chain B residue 488 LEU Chi-restraints excluded: chain B residue 491 ILE Chi-restraints excluded: chain B residue 497 TYR Chi-restraints excluded: chain B residue 506 TYR Chi-restraints excluded: chain B residue 510 GLU Chi-restraints excluded: chain B residue 513 GLU Chi-restraints excluded: chain B residue 514 SER Chi-restraints excluded: chain B residue 515 TRP Chi-restraints excluded: chain B residue 517 GLU Chi-restraints excluded: chain B residue 519 VAL Chi-restraints excluded: chain B residue 522 LEU Chi-restraints excluded: chain B residue 526 LEU Chi-restraints excluded: chain B residue 530 ILE Chi-restraints excluded: chain B residue 533 ASN Chi-restraints excluded: chain B residue 536 ASN Chi-restraints excluded: chain B residue 539 LEU Chi-restraints excluded: chain B residue 540 PHE Chi-restraints excluded: chain B residue 541 SER Chi-restraints excluded: chain B residue 547 VAL Chi-restraints excluded: chain B residue 561 LEU Chi-restraints excluded: chain B residue 563 VAL Chi-restraints excluded: chain B residue 569 ILE Chi-restraints excluded: chain B residue 571 SER Chi-restraints excluded: chain B residue 575 LEU Chi-restraints excluded: chain B residue 579 GLN Chi-restraints excluded: chain B residue 580 GLU Chi-restraints excluded: chain B residue 586 ILE Chi-restraints excluded: chain B residue 590 LEU Chi-restraints excluded: chain B residue 591 ASP Chi-restraints excluded: chain B residue 602 VAL Chi-restraints excluded: chain B residue 605 SER Chi-restraints excluded: chain B residue 609 CYS Chi-restraints excluded: chain B residue 614 VAL Chi-restraints excluded: chain B residue 621 ILE Chi-restraints excluded: chain B residue 622 THR Chi-restraints excluded: chain B residue 631 LEU Chi-restraints excluded: chain B residue 633 LEU Chi-restraints excluded: chain B residue 635 THR Chi-restraints excluded: chain B residue 638 ILE Chi-restraints excluded: chain B residue 642 THR Chi-restraints excluded: chain B residue 661 LYS Chi-restraints excluded: chain B residue 663 TYR Chi-restraints excluded: chain B residue 665 GLU Chi-restraints excluded: chain B residue 667 MET Chi-restraints excluded: chain B residue 669 ASP Chi-restraints excluded: chain B residue 676 THR Chi-restraints excluded: chain B residue 680 THR Chi-restraints excluded: chain B residue 681 HIS Chi-restraints excluded: chain B residue 682 LEU Chi-restraints excluded: chain B residue 690 GLU Chi-restraints excluded: chain B residue 695 TYR Chi-restraints excluded: chain B residue 702 TRP Chi-restraints excluded: chain B residue 709 ASP Chi-restraints excluded: chain B residue 710 ASP Chi-restraints excluded: chain B residue 712 TYR Chi-restraints excluded: chain B residue 714 TYR Chi-restraints excluded: chain B residue 719 LEU Chi-restraints excluded: chain B residue 735 GLN Chi-restraints excluded: chain B residue 748 LEU Chi-restraints excluded: chain B residue 751 SER Chi-restraints excluded: chain B residue 752 VAL Chi-restraints excluded: chain B residue 754 SER Chi-restraints excluded: chain B residue 756 SER Chi-restraints excluded: chain B residue 757 PHE Chi-restraints excluded: chain B residue 771 PHE Chi-restraints excluded: chain B residue 773 LEU Chi-restraints excluded: chain B residue 783 PHE Chi-restraints excluded: chain B residue 801 LYS Chi-restraints excluded: chain B residue 802 PHE Chi-restraints excluded: chain B residue 815 VAL Chi-restraints excluded: chain B residue 822 ARG Chi-restraints excluded: chain B residue 839 LEU Chi-restraints excluded: chain B residue 840 VAL Chi-restraints excluded: chain B residue 862 VAL Chi-restraints excluded: chain B residue 867 LEU Chi-restraints excluded: chain B residue 869 ARG Chi-restraints excluded: chain B residue 886 ARG Chi-restraints excluded: chain B residue 896 VAL Chi-restraints excluded: chain B residue 900 ASN Chi-restraints excluded: chain B residue 908 VAL Chi-restraints excluded: chain B residue 910 PHE Chi-restraints excluded: chain B residue 923 GLN Chi-restraints excluded: chain B residue 925 SER Chi-restraints excluded: chain B residue 928 THR Chi-restraints excluded: chain B residue 948 ASP Chi-restraints excluded: chain B residue 961 MET Chi-restraints excluded: chain B residue 965 TYR Chi-restraints excluded: chain B residue 971 ASP Chi-restraints excluded: chain B residue 972 LEU Chi-restraints excluded: chain B residue 974 HIS Chi-restraints excluded: chain B residue 978 THR Chi-restraints excluded: chain B residue 1036 ARG Chi-restraints excluded: chain B residue 1045 THR Chi-restraints excluded: chain B residue 1072 VAL Chi-restraints excluded: chain B residue 1076 ARG Chi-restraints excluded: chain B residue 1078 GLU Chi-restraints excluded: chain B residue 1081 TYR Chi-restraints excluded: chain B residue 1087 ARG Chi-restraints excluded: chain B residue 1093 GLU Chi-restraints excluded: chain B residue 1095 VAL Chi-restraints excluded: chain B residue 1101 ARG Chi-restraints excluded: chain B residue 1108 GLU Chi-restraints excluded: chain B residue 1120 LEU Chi-restraints excluded: chain B residue 1132 TRP Chi-restraints excluded: chain B residue 1133 HIS Chi-restraints excluded: chain B residue 1134 LEU Chi-restraints excluded: chain B residue 1139 PHE Chi-restraints excluded: chain B residue 1143 TRP Chi-restraints excluded: chain B residue 1155 LEU Chi-restraints excluded: chain B residue 1158 ASN Chi-restraints excluded: chain B residue 1160 ILE Chi-restraints excluded: chain B residue 1163 THR Chi-restraints excluded: chain B residue 1169 LEU Chi-restraints excluded: chain B residue 1172 ASP Chi-restraints excluded: chain B residue 1184 ILE Chi-restraints excluded: chain B residue 1191 VAL Chi-restraints excluded: chain B residue 1201 HIS Chi-restraints excluded: chain B residue 1203 ASN Chi-restraints excluded: chain B residue 1204 LEU Chi-restraints excluded: chain B residue 1209 SER Chi-restraints excluded: chain B residue 1219 LEU Chi-restraints excluded: chain B residue 1226 PHE Chi-restraints excluded: chain B residue 1235 THR Chi-restraints excluded: chain B residue 1240 LYS Chi-restraints excluded: chain B residue 1242 LEU Chi-restraints excluded: chain B residue 1244 GLN Chi-restraints excluded: chain B residue 1248 VAL Chi-restraints excluded: chain B residue 1251 GLU Chi-restraints excluded: chain B residue 1254 HIS Chi-restraints excluded: chain B residue 1266 THR Chi-restraints excluded: chain B residue 1272 LEU Chi-restraints excluded: chain B residue 1575 LEU Chi-restraints excluded: chain B residue 1590 GLN Chi-restraints excluded: chain B residue 1595 LEU Chi-restraints excluded: chain B residue 1597 VAL Chi-restraints excluded: chain B residue 1600 LEU Chi-restraints excluded: chain B residue 1601 MET Chi-restraints excluded: chain B residue 1605 TRP Chi-restraints excluded: chain B residue 1613 LEU Chi-restraints excluded: chain B residue 1630 CYS Chi-restraints excluded: chain B residue 1636 MET Chi-restraints excluded: chain B residue 1639 LEU Chi-restraints excluded: chain B residue 1641 ILE Chi-restraints excluded: chain B residue 1648 MET Chi-restraints excluded: chain B residue 1649 ASP Chi-restraints excluded: chain B residue 1652 GLU Chi-restraints excluded: chain B residue 1654 SER Chi-restraints excluded: chain B residue 1657 LEU Chi-restraints excluded: chain B residue 1658 ASP Chi-restraints excluded: chain B residue 1661 ARG Chi-restraints excluded: chain B residue 1663 HIS Chi-restraints excluded: chain B residue 1673 VAL Chi-restraints excluded: chain B residue 1679 ASN Chi-restraints excluded: chain B residue 1680 ARG Chi-restraints excluded: chain B residue 1686 CYS Chi-restraints excluded: chain B residue 1694 LEU Chi-restraints excluded: chain B residue 1695 LEU Chi-restraints excluded: chain B residue 1699 GLU Chi-restraints excluded: chain B residue 1700 ASP Chi-restraints excluded: chain B residue 1703 LEU Chi-restraints excluded: chain B residue 1707 LEU Chi-restraints excluded: chain B residue 1713 ASP Chi-restraints excluded: chain B residue 1720 LEU Chi-restraints excluded: chain B residue 1721 GLU Chi-restraints excluded: chain B residue 1731 LEU Chi-restraints excluded: chain B residue 1738 LEU Chi-restraints excluded: chain B residue 1739 THR Chi-restraints excluded: chain B residue 1743 ARG Chi-restraints excluded: chain B residue 1768 THR Chi-restraints excluded: chain B residue 1770 SER Chi-restraints excluded: chain B residue 1772 ARG Chi-restraints excluded: chain B residue 1778 SER Chi-restraints excluded: chain B residue 1786 LEU Chi-restraints excluded: chain B residue 1797 ARG Chi-restraints excluded: chain B residue 1798 LEU Chi-restraints excluded: chain B residue 1813 ARG Chi-restraints excluded: chain B residue 1819 VAL Chi-restraints excluded: chain B residue 1844 LEU Chi-restraints excluded: chain B residue 1848 LEU Chi-restraints excluded: chain B residue 1850 VAL Chi-restraints excluded: chain B residue 1853 ILE Chi-restraints excluded: chain B residue 1856 ASP Chi-restraints excluded: chain B residue 1857 GLU Chi-restraints excluded: chain B residue 1861 GLN Chi-restraints excluded: chain B residue 1863 LEU Chi-restraints excluded: chain B residue 1870 VAL Chi-restraints excluded: chain B residue 1928 GLN Chi-restraints excluded: chain B residue 1935 VAL Chi-restraints excluded: chain B residue 1939 MET Chi-restraints excluded: chain B residue 1942 LEU Chi-restraints excluded: chain B residue 1943 LEU Chi-restraints excluded: chain B residue 1947 CYS Chi-restraints excluded: chain B residue 1951 LEU Chi-restraints excluded: chain B residue 1958 LEU Chi-restraints excluded: chain B residue 1963 GLU Chi-restraints excluded: chain B residue 1966 VAL Chi-restraints excluded: chain B residue 1968 LYS Chi-restraints excluded: chain B residue 1976 ARG Chi-restraints excluded: chain B residue 1996 ARG Chi-restraints excluded: chain B residue 2030 ASP Chi-restraints excluded: chain B residue 2031 LEU Chi-restraints excluded: chain B residue 2034 PHE Chi-restraints excluded: chain B residue 2035 HIS Chi-restraints excluded: chain B residue 2039 LEU Chi-restraints excluded: chain B residue 2095 GLN Chi-restraints excluded: chain B residue 2098 VAL Chi-restraints excluded: chain B residue 2101 MET Chi-restraints excluded: chain B residue 2102 VAL Chi-restraints excluded: chain B residue 2103 VAL Chi-restraints excluded: chain B residue 2104 ARG Chi-restraints excluded: chain B residue 2115 GLU Chi-restraints excluded: chain B residue 2117 VAL Chi-restraints excluded: chain B residue 2118 ARG Chi-restraints excluded: chain B residue 2120 MET Chi-restraints excluded: chain B residue 2122 SER Chi-restraints excluded: chain B residue 2125 HIS Chi-restraints excluded: chain B residue 2128 TYR Chi-restraints excluded: chain B residue 2138 LEU Chi-restraints excluded: chain B residue 2143 THR Chi-restraints excluded: chain B residue 2145 SER Chi-restraints excluded: chain B residue 2148 SER Chi-restraints excluded: chain B residue 2150 GLU Chi-restraints excluded: chain B residue 2155 LEU Chi-restraints excluded: chain B residue 2164 SER Chi-restraints excluded: chain B residue 2166 LEU Chi-restraints excluded: chain B residue 2169 GLN Chi-restraints excluded: chain B residue 2184 ASN Chi-restraints excluded: chain B residue 2185 ILE Chi-restraints excluded: chain B residue 2186 MET Chi-restraints excluded: chain B residue 2187 ASN Chi-restraints excluded: chain B residue 2189 LYS Chi-restraints excluded: chain B residue 2197 LEU Chi-restraints excluded: chain B residue 2198 MET Chi-restraints excluded: chain B residue 2203 MET Chi-restraints excluded: chain B residue 2204 HIS Chi-restraints excluded: chain B residue 2207 VAL Chi-restraints excluded: chain B residue 2225 PHE Chi-restraints excluded: chain B residue 2228 MET Chi-restraints excluded: chain B residue 2229 VAL Chi-restraints excluded: chain B residue 2231 SER Chi-restraints excluded: chain B residue 2232 CYS Chi-restraints excluded: chain B residue 2237 CYS Chi-restraints excluded: chain B residue 2245 GLN Chi-restraints excluded: chain B residue 2246 ASN Chi-restraints excluded: chain B residue 2248 ARG Chi-restraints excluded: chain B residue 2254 LEU Chi-restraints excluded: chain B residue 2256 TYR Chi-restraints excluded: chain B residue 2258 LEU Chi-restraints excluded: chain B residue 2260 ASN Chi-restraints excluded: chain B residue 2275 VAL Chi-restraints excluded: chain B residue 2279 SER Chi-restraints excluded: chain B residue 2280 VAL Chi-restraints excluded: chain B residue 2292 GLU Chi-restraints excluded: chain B residue 2298 VAL Chi-restraints excluded: chain B residue 2330 ARG Chi-restraints excluded: chain B residue 2334 PHE Chi-restraints excluded: chain B residue 2339 VAL Chi-restraints excluded: chain B residue 2340 PHE Chi-restraints excluded: chain B residue 2346 VAL Chi-restraints excluded: chain B residue 2348 GLU Chi-restraints excluded: chain B residue 2349 ASN Chi-restraints excluded: chain B residue 2353 VAL Chi-restraints excluded: chain B residue 2354 VAL Chi-restraints excluded: chain B residue 2356 LEU Chi-restraints excluded: chain B residue 2357 LEU Chi-restraints excluded: chain B residue 2368 LEU Chi-restraints excluded: chain B residue 2376 LEU Chi-restraints excluded: chain B residue 2377 LEU Chi-restraints excluded: chain B residue 2380 ILE Chi-restraints excluded: chain B residue 2386 ILE Chi-restraints excluded: chain B residue 2418 LEU Chi-restraints excluded: chain B residue 2432 LEU Chi-restraints excluded: chain B residue 2433 LEU Chi-restraints excluded: chain B residue 2449 GLU Chi-restraints excluded: chain B residue 2451 LEU Chi-restraints excluded: chain B residue 2454 ARG Chi-restraints excluded: chain B residue 2457 LEU Chi-restraints excluded: chain B residue 2460 LEU Chi-restraints excluded: chain B residue 2463 LEU Chi-restraints excluded: chain B residue 2472 LEU Chi-restraints excluded: chain B residue 2756 ASN Chi-restraints excluded: chain B residue 2760 GLU Chi-restraints excluded: chain B residue 2762 THR Chi-restraints excluded: chain B residue 2773 ASN Chi-restraints excluded: chain B residue 2796 THR Chi-restraints excluded: chain B residue 2809 ILE Chi-restraints excluded: chain B residue 2821 TRP Chi-restraints excluded: chain B residue 2827 ARG Chi-restraints excluded: chain B residue 2855 TYR Chi-restraints excluded: chain B residue 2856 ASN Chi-restraints excluded: chain B residue 2862 LEU Chi-restraints excluded: chain B residue 2867 LEU Chi-restraints excluded: chain B residue 2868 SER Chi-restraints excluded: chain B residue 2872 GLN Chi-restraints excluded: chain B residue 2881 ASN Chi-restraints excluded: chain B residue 2888 ARG Chi-restraints excluded: chain B residue 2889 LYS Chi-restraints excluded: chain B residue 2892 GLN Chi-restraints excluded: chain B residue 2905 LEU Chi-restraints excluded: chain B residue 2906 VAL Chi-restraints excluded: chain B residue 2910 THR Chi-restraints excluded: chain B residue 2911 LEU Chi-restraints excluded: chain B residue 2929 PHE Chi-restraints excluded: chain B residue 2935 TYR Chi-restraints excluded: chain B residue 2938 THR Chi-restraints excluded: chain B residue 3639 THR Chi-restraints excluded: chain B residue 3644 LEU Chi-restraints excluded: chain B residue 3646 THR Chi-restraints excluded: chain B residue 3651 ASN Chi-restraints excluded: chain B residue 3652 MET Chi-restraints excluded: chain B residue 3657 TYR Chi-restraints excluded: chain B residue 3661 TRP Chi-restraints excluded: chain B residue 3663 LEU Chi-restraints excluded: chain B residue 3665 GLU Chi-restraints excluded: chain B residue 3666 ASP Chi-restraints excluded: chain B residue 3669 PHE Chi-restraints excluded: chain B residue 3676 ASP Chi-restraints excluded: chain B residue 3679 LYS Chi-restraints excluded: chain B residue 3697 PRO Chi-restraints excluded: chain B residue 3698 LEU Chi-restraints excluded: chain B residue 3702 VAL Chi-restraints excluded: chain B residue 3708 THR Chi-restraints excluded: chain B residue 3711 THR Chi-restraints excluded: chain B residue 3714 SER Chi-restraints excluded: chain B residue 3717 ASP Chi-restraints excluded: chain B residue 3718 GLU Chi-restraints excluded: chain B residue 3720 TYR Chi-restraints excluded: chain B residue 3725 TYR Chi-restraints excluded: chain B residue 3727 ASP Chi-restraints excluded: chain B residue 3753 PHE Chi-restraints excluded: chain B residue 3758 MET Chi-restraints excluded: chain B residue 3763 LEU Chi-restraints excluded: chain B residue 3766 GLN Chi-restraints excluded: chain B residue 3773 ARG Chi-restraints excluded: chain B residue 3780 LEU Chi-restraints excluded: chain B residue 3786 CYS Chi-restraints excluded: chain B residue 3787 LYS Chi-restraints excluded: chain B residue 3790 THR Chi-restraints excluded: chain B residue 3796 SER Chi-restraints excluded: chain B residue 3797 THR Chi-restraints excluded: chain B residue 3798 LEU Chi-restraints excluded: chain B residue 3802 ILE Chi-restraints excluded: chain B residue 3811 GLU Chi-restraints excluded: chain B residue 3812 VAL Chi-restraints excluded: chain B residue 3816 MET Chi-restraints excluded: chain B residue 3817 LEU Chi-restraints excluded: chain B residue 3822 ASP Chi-restraints excluded: chain B residue 3828 PHE Chi-restraints excluded: chain B residue 3836 MET Chi-restraints excluded: chain B residue 3838 THR Chi-restraints excluded: chain B residue 3843 ASP Chi-restraints excluded: chain B residue 3844 LEU Chi-restraints excluded: chain B residue 3847 PHE Chi-restraints excluded: chain B residue 3873 LYS Chi-restraints excluded: chain B residue 3881 THR Chi-restraints excluded: chain B residue 3882 GLN Chi-restraints excluded: chain B residue 3883 ASP Chi-restraints excluded: chain B residue 3890 LEU Chi-restraints excluded: chain B residue 3891 LEU Chi-restraints excluded: chain B residue 3895 HIS Chi-restraints excluded: chain B residue 3900 GLN Chi-restraints excluded: chain B residue 3902 TYR Chi-restraints excluded: chain B residue 3907 THR Chi-restraints excluded: chain B residue 3909 ASN Chi-restraints excluded: chain B residue 3913 ILE Chi-restraints excluded: chain B residue 3915 ILE Chi-restraints excluded: chain B residue 3916 ILE Chi-restraints excluded: chain B residue 3917 ILE Chi-restraints excluded: chain B residue 3920 VAL Chi-restraints excluded: chain B residue 3924 LEU Chi-restraints excluded: chain B residue 3927 GLN Chi-restraints excluded: chain B residue 3929 SER Chi-restraints excluded: chain B residue 3931 SER Chi-restraints excluded: chain B residue 3932 ASP Chi-restraints excluded: chain B residue 3937 TYR Chi-restraints excluded: chain B residue 3944 GLU Chi-restraints excluded: chain B residue 3946 GLN Chi-restraints excluded: chain B residue 3948 LYS Chi-restraints excluded: chain B residue 3953 LYS Chi-restraints excluded: chain B residue 3957 VAL Chi-restraints excluded: chain B residue 3959 LYS Chi-restraints excluded: chain B residue 3963 ASN Chi-restraints excluded: chain B residue 3964 SER Chi-restraints excluded: chain B residue 3970 GLN Chi-restraints excluded: chain B residue 3974 THR Chi-restraints excluded: chain B residue 3979 SER Chi-restraints excluded: chain B residue 3982 HIS Chi-restraints excluded: chain B residue 3986 TRP Chi-restraints excluded: chain B residue 3987 ASP Chi-restraints excluded: chain B residue 3990 VAL Chi-restraints excluded: chain B residue 3996 PHE Chi-restraints excluded: chain B residue 4022 ASP Chi-restraints excluded: chain B residue 4023 MET Chi-restraints excluded: chain B residue 4025 VAL Chi-restraints excluded: chain B residue 4035 VAL Chi-restraints excluded: chain B residue 4036 VAL Chi-restraints excluded: chain B residue 4044 MET Chi-restraints excluded: chain B residue 4045 VAL Chi-restraints excluded: chain B residue 4046 ASP Chi-restraints excluded: chain B residue 4049 VAL Chi-restraints excluded: chain B residue 4055 VAL Chi-restraints excluded: chain B residue 4058 ILE Chi-restraints excluded: chain B residue 4059 LEU Chi-restraints excluded: chain B residue 4063 ASP Chi-restraints excluded: chain B residue 4066 LEU Chi-restraints excluded: chain B residue 4071 ILE Chi-restraints excluded: chain B residue 4090 LYS Chi-restraints excluded: chain B residue 4095 LYS Chi-restraints excluded: chain B residue 4102 GLN Chi-restraints excluded: chain B residue 4109 GLN Chi-restraints excluded: chain B residue 4121 GLU Chi-restraints excluded: chain B residue 4128 PHE Chi-restraints excluded: chain B residue 4134 GLU Chi-restraints excluded: chain B residue 4139 ILE Chi-restraints excluded: chain B residue 4142 ASN Chi-restraints excluded: chain B residue 4143 VAL Chi-restraints excluded: chain B residue 4150 LEU Chi-restraints excluded: chain B residue 4151 SER Chi-restraints excluded: chain B residue 4157 ASP Chi-restraints excluded: chain B residue 4159 ARG Chi-restraints excluded: chain B residue 4160 LEU Chi-restraints excluded: chain B residue 4162 ASN Chi-restraints excluded: chain B residue 4164 LEU Chi-restraints excluded: chain B residue 4166 LEU Chi-restraints excluded: chain B residue 4171 LEU Chi-restraints excluded: chain B residue 4178 LEU Chi-restraints excluded: chain B residue 4180 ARG Chi-restraints excluded: chain B residue 4181 ILE Chi-restraints excluded: chain B residue 4190 ILE Chi-restraints excluded: chain B residue 4192 ARG Chi-restraints excluded: chain B residue 4195 PHE Chi-restraints excluded: chain B residue 4200 THR Chi-restraints excluded: chain B residue 4205 TRP Chi-restraints excluded: chain B residue 4206 GLU Chi-restraints excluded: chain B residue 4212 GLU Chi-restraints excluded: chain B residue 4237 PHE Chi-restraints excluded: chain B residue 4238 CYS Chi-restraints excluded: chain B residue 4244 GLU Chi-restraints excluded: chain B residue 4250 GLN Chi-restraints excluded: chain B residue 4251 ILE Chi-restraints excluded: chain B residue 4252 SER Chi-restraints excluded: chain B residue 4546 VAL Chi-restraints excluded: chain B residue 4547 GLN Chi-restraints excluded: chain B residue 4548 ARG Chi-restraints excluded: chain B residue 4549 VAL Chi-restraints excluded: chain B residue 4558 ASN Chi-restraints excluded: chain B residue 4559 PHE Chi-restraints excluded: chain B residue 4563 ARG Chi-restraints excluded: chain B residue 4565 LEU Chi-restraints excluded: chain B residue 4571 PHE Chi-restraints excluded: chain B residue 4573 ILE Chi-restraints excluded: chain B residue 4576 ILE Chi-restraints excluded: chain B residue 4577 LEU Chi-restraints excluded: chain B residue 4582 VAL Chi-restraints excluded: chain B residue 4630 TYR Chi-restraints excluded: chain B residue 4631 PHE Chi-restraints excluded: chain B residue 4632 LEU Chi-restraints excluded: chain B residue 4633 GLU Chi-restraints excluded: chain B residue 4635 SER Chi-restraints excluded: chain B residue 4638 TYR Chi-restraints excluded: chain B residue 4646 LEU Chi-restraints excluded: chain B residue 4648 LEU Chi-restraints excluded: chain B residue 4649 LEU Chi-restraints excluded: chain B residue 4652 LEU Chi-restraints excluded: chain B residue 4653 VAL Chi-restraints excluded: chain B residue 4656 LEU Chi-restraints excluded: chain B residue 4657 CYS Chi-restraints excluded: chain B residue 4663 CYS Chi-restraints excluded: chain B residue 4666 VAL Chi-restraints excluded: chain B residue 4668 LEU Chi-restraints excluded: chain B residue 4671 PHE Chi-restraints excluded: chain B residue 4674 GLU Chi-restraints excluded: chain B residue 4676 GLU Chi-restraints excluded: chain B residue 4677 LEU Chi-restraints excluded: chain B residue 4682 GLU Chi-restraints excluded: chain B residue 4684 ASP Chi-restraints excluded: chain B residue 4686 LEU Chi-restraints excluded: chain B residue 4688 ILE Chi-restraints excluded: chain B residue 4701 TRP Chi-restraints excluded: chain B residue 4710 SER Chi-restraints excluded: chain B residue 4723 LYS Chi-restraints excluded: chain B residue 4727 LYS Chi-restraints excluded: chain B residue 4731 ILE Chi-restraints excluded: chain B residue 4736 ARG Chi-restraints excluded: chain B residue 4739 GLU Chi-restraints excluded: chain B residue 4747 SER Chi-restraints excluded: chain B residue 4770 SER Chi-restraints excluded: chain B residue 4771 ILE Chi-restraints excluded: chain B residue 4774 LYS Chi-restraints excluded: chain B residue 4777 ILE Chi-restraints excluded: chain B residue 4780 PHE Chi-restraints excluded: chain B residue 4782 VAL Chi-restraints excluded: chain B residue 4783 ILE Chi-restraints excluded: chain B residue 4786 ASP Chi-restraints excluded: chain B residue 4791 TYR Chi-restraints excluded: chain B residue 4794 TRP Chi-restraints excluded: chain B residue 4796 MET Chi-restraints excluded: chain B residue 4797 VAL Chi-restraints excluded: chain B residue 4798 MET Chi-restraints excluded: chain B residue 4800 LEU Chi-restraints excluded: chain B residue 4807 PHE Chi-restraints excluded: chain B residue 4814 LEU Chi-restraints excluded: chain B residue 4818 MET Chi-restraints excluded: chain B residue 4822 THR Chi-restraints excluded: chain B residue 4827 LEU Chi-restraints excluded: chain B residue 4830 VAL Chi-restraints excluded: chain B residue 4836 GLN Chi-restraints excluded: chain B residue 4838 VAL Chi-restraints excluded: chain B residue 4844 LEU Chi-restraints excluded: chain B residue 4849 TYR Chi-restraints excluded: chain B residue 4854 VAL Chi-restraints excluded: chain B residue 4864 ASN Chi-restraints excluded: chain B residue 4867 GLU Chi-restraints excluded: chain B residue 4877 ASP Chi-restraints excluded: chain B residue 4901 ILE Chi-restraints excluded: chain B residue 4904 PRO Chi-restraints excluded: chain B residue 4913 ARG Chi-restraints excluded: chain B residue 4915 VAL Chi-restraints excluded: chain B residue 4918 ILE Chi-restraints excluded: chain B residue 4919 THR Chi-restraints excluded: chain B residue 4920 PHE Chi-restraints excluded: chain B residue 4921 PHE Chi-restraints excluded: chain B residue 4931 ILE Chi-restraints excluded: chain B residue 4936 ILE Chi-restraints excluded: chain B residue 4943 LEU Chi-restraints excluded: chain B residue 4945 ASP Chi-restraints excluded: chain B residue 4950 VAL Chi-restraints excluded: chain B residue 4960 ILE Chi-restraints excluded: chain B residue 4963 ILE Chi-restraints excluded: chain B residue 4976 GLU Chi-restraints excluded: chain B residue 4977 THR Chi-restraints excluded: chain B residue 4983 HIS Chi-restraints excluded: chain B residue 4985 LEU Chi-restraints excluded: chain B residue 4990 PHE Chi-restraints excluded: chain B residue 4994 TYR Chi-restraints excluded: chain B residue 4996 ILE Chi-restraints excluded: chain B residue 5008 SER Chi-restraints excluded: chain B residue 5010 VAL Chi-restraints excluded: chain B residue 5013 MET Chi-restraints excluded: chain B residue 5014 TYR Chi-restraints excluded: chain B residue 5016 GLU Chi-restraints excluded: chain B residue 5020 ASP Chi-restraints excluded: chain B residue 5027 CYS Chi-restraints excluded: chain C residue 14 LEU Chi-restraints excluded: chain C residue 15 ARG Chi-restraints excluded: chain C residue 16 THR Chi-restraints excluded: chain C residue 17 ASP Chi-restraints excluded: chain C residue 18 ASP Chi-restraints excluded: chain C residue 19 GLU Chi-restraints excluded: chain C residue 29 LEU Chi-restraints excluded: chain C residue 35 LEU Chi-restraints excluded: chain C residue 40 GLU Chi-restraints excluded: chain C residue 44 ASN Chi-restraints excluded: chain C residue 49 LEU Chi-restraints excluded: chain C residue 66 CYS Chi-restraints excluded: chain C residue 67 PHE Chi-restraints excluded: chain C residue 69 LEU Chi-restraints excluded: chain C residue 70 GLU Chi-restraints excluded: chain C residue 72 SER Chi-restraints excluded: chain C residue 73 LEU Chi-restraints excluded: chain C residue 74 SER Chi-restraints excluded: chain C residue 75 VAL Chi-restraints excluded: chain C residue 76 ARG Chi-restraints excluded: chain C residue 78 LEU Chi-restraints excluded: chain C residue 81 MET Chi-restraints excluded: chain C residue 100 THR Chi-restraints excluded: chain C residue 111 HIS Chi-restraints excluded: chain C residue 113 HIS Chi-restraints excluded: chain C residue 121 LEU Chi-restraints excluded: chain C residue 122 THR Chi-restraints excluded: chain C residue 123 THR Chi-restraints excluded: chain C residue 124 SER Chi-restraints excluded: chain C residue 133 PHE Chi-restraints excluded: chain C residue 134 ASP Chi-restraints excluded: chain C residue 135 VAL Chi-restraints excluded: chain C residue 142 THR Chi-restraints excluded: chain C residue 144 GLU Chi-restraints excluded: chain C residue 149 THR Chi-restraints excluded: chain C residue 152 PRO Chi-restraints excluded: chain C residue 156 GLN Chi-restraints excluded: chain C residue 163 VAL Chi-restraints excluded: chain C residue 165 VAL Chi-restraints excluded: chain C residue 169 LEU Chi-restraints excluded: chain C residue 173 SER Chi-restraints excluded: chain C residue 175 SER Chi-restraints excluded: chain C residue 179 TYR Chi-restraints excluded: chain C residue 181 HIS Chi-restraints excluded: chain C residue 183 SER Chi-restraints excluded: chain C residue 189 LEU Chi-restraints excluded: chain C residue 191 VAL Chi-restraints excluded: chain C residue 205 ILE Chi-restraints excluded: chain C residue 206 CYS Chi-restraints excluded: chain C residue 208 CYS Chi-restraints excluded: chain C residue 210 GLU Chi-restraints excluded: chain C residue 211 GLU Chi-restraints excluded: chain C residue 222 LEU Chi-restraints excluded: chain C residue 238 SER Chi-restraints excluded: chain C residue 244 LEU Chi-restraints excluded: chain C residue 246 TYR Chi-restraints excluded: chain C residue 247 TYR Chi-restraints excluded: chain C residue 257 ARG Chi-restraints excluded: chain C residue 262 LEU Chi-restraints excluded: chain C residue 270 SER Chi-restraints excluded: chain C residue 275 ARG Chi-restraints excluded: chain C residue 282 ILE Chi-restraints excluded: chain C residue 283 ARG Chi-restraints excluded: chain C residue 286 THR Chi-restraints excluded: chain C residue 293 LEU Chi-restraints excluded: chain C residue 294 THR Chi-restraints excluded: chain C residue 299 LEU Chi-restraints excluded: chain C residue 312 THR Chi-restraints excluded: chain C residue 313 SER Chi-restraints excluded: chain C residue 315 CYS Chi-restraints excluded: chain C residue 339 ILE Chi-restraints excluded: chain C residue 343 GLU Chi-restraints excluded: chain C residue 357 LEU Chi-restraints excluded: chain C residue 358 THR Chi-restraints excluded: chain C residue 359 TYR Chi-restraints excluded: chain C residue 372 LEU Chi-restraints excluded: chain C residue 373 LYS Chi-restraints excluded: chain C residue 390 LEU Chi-restraints excluded: chain C residue 394 GLN Chi-restraints excluded: chain C residue 396 GLU Chi-restraints excluded: chain C residue 397 GLU Chi-restraints excluded: chain C residue 398 SER Chi-restraints excluded: chain C residue 403 MET Chi-restraints excluded: chain C residue 404 ILE Chi-restraints excluded: chain C residue 410 LEU Chi-restraints excluded: chain C residue 411 TYR Chi-restraints excluded: chain C residue 415 ILE Chi-restraints excluded: chain C residue 420 SER Chi-restraints excluded: chain C residue 438 ILE Chi-restraints excluded: chain C residue 439 GLU Chi-restraints excluded: chain C residue 452 PHE Chi-restraints excluded: chain C residue 455 PRO Chi-restraints excluded: chain C residue 459 LEU Chi-restraints excluded: chain C residue 469 ARG Chi-restraints excluded: chain C residue 475 GLN Chi-restraints excluded: chain C residue 483 MET Chi-restraints excluded: chain C residue 485 SER Chi-restraints excluded: chain C residue 486 LEU Chi-restraints excluded: chain C residue 487 VAL Chi-restraints excluded: chain C residue 488 LEU Chi-restraints excluded: chain C residue 491 ILE Chi-restraints excluded: chain C residue 497 TYR Chi-restraints excluded: chain C residue 506 TYR Chi-restraints excluded: chain C residue 510 GLU Chi-restraints excluded: chain C residue 513 GLU Chi-restraints excluded: chain C residue 514 SER Chi-restraints excluded: chain C residue 515 TRP Chi-restraints excluded: chain C residue 517 GLU Chi-restraints excluded: chain C residue 519 VAL Chi-restraints excluded: chain C residue 522 LEU Chi-restraints excluded: chain C residue 526 LEU Chi-restraints excluded: chain C residue 529 LEU Chi-restraints excluded: chain C residue 530 ILE Chi-restraints excluded: chain C residue 533 ASN Chi-restraints excluded: chain C residue 536 ASN Chi-restraints excluded: chain C residue 539 LEU Chi-restraints excluded: chain C residue 540 PHE Chi-restraints excluded: chain C residue 541 SER Chi-restraints excluded: chain C residue 547 VAL Chi-restraints excluded: chain C residue 561 LEU Chi-restraints excluded: chain C residue 563 VAL Chi-restraints excluded: chain C residue 564 LEU Chi-restraints excluded: chain C residue 569 ILE Chi-restraints excluded: chain C residue 571 SER Chi-restraints excluded: chain C residue 575 LEU Chi-restraints excluded: chain C residue 579 GLN Chi-restraints excluded: chain C residue 580 GLU Chi-restraints excluded: chain C residue 586 ILE Chi-restraints excluded: chain C residue 590 LEU Chi-restraints excluded: chain C residue 591 ASP Chi-restraints excluded: chain C residue 602 VAL Chi-restraints excluded: chain C residue 605 SER Chi-restraints excluded: chain C residue 609 CYS Chi-restraints excluded: chain C residue 614 VAL Chi-restraints excluded: chain C residue 621 ILE Chi-restraints excluded: chain C residue 622 THR Chi-restraints excluded: chain C residue 631 LEU Chi-restraints excluded: chain C residue 633 LEU Chi-restraints excluded: chain C residue 635 THR Chi-restraints excluded: chain C residue 638 ILE Chi-restraints excluded: chain C residue 642 THR Chi-restraints excluded: chain C residue 661 LYS Chi-restraints excluded: chain C residue 663 TYR Chi-restraints excluded: chain C residue 665 GLU Chi-restraints excluded: chain C residue 667 MET Chi-restraints excluded: chain C residue 669 ASP Chi-restraints excluded: chain C residue 676 THR Chi-restraints excluded: chain C residue 680 THR Chi-restraints excluded: chain C residue 681 HIS Chi-restraints excluded: chain C residue 682 LEU Chi-restraints excluded: chain C residue 690 GLU Chi-restraints excluded: chain C residue 695 TYR Chi-restraints excluded: chain C residue 702 TRP Chi-restraints excluded: chain C residue 709 ASP Chi-restraints excluded: chain C residue 710 ASP Chi-restraints excluded: chain C residue 712 TYR Chi-restraints excluded: chain C residue 714 TYR Chi-restraints excluded: chain C residue 719 LEU Chi-restraints excluded: chain C residue 730 VAL Chi-restraints excluded: chain C residue 735 GLN Chi-restraints excluded: chain C residue 748 LEU Chi-restraints excluded: chain C residue 751 SER Chi-restraints excluded: chain C residue 752 VAL Chi-restraints excluded: chain C residue 754 SER Chi-restraints excluded: chain C residue 756 SER Chi-restraints excluded: chain C residue 771 PHE Chi-restraints excluded: chain C residue 783 PHE Chi-restraints excluded: chain C residue 784 SER Chi-restraints excluded: chain C residue 797 HIS Chi-restraints excluded: chain C residue 801 LYS Chi-restraints excluded: chain C residue 802 PHE Chi-restraints excluded: chain C residue 815 VAL Chi-restraints excluded: chain C residue 822 ARG Chi-restraints excluded: chain C residue 839 LEU Chi-restraints excluded: chain C residue 840 VAL Chi-restraints excluded: chain C residue 867 LEU Chi-restraints excluded: chain C residue 869 ARG Chi-restraints excluded: chain C residue 886 ARG Chi-restraints excluded: chain C residue 896 VAL Chi-restraints excluded: chain C residue 900 ASN Chi-restraints excluded: chain C residue 908 VAL Chi-restraints excluded: chain C residue 910 PHE Chi-restraints excluded: chain C residue 923 GLN Chi-restraints excluded: chain C residue 925 SER Chi-restraints excluded: chain C residue 928 THR Chi-restraints excluded: chain C residue 948 ASP Chi-restraints excluded: chain C residue 961 MET Chi-restraints excluded: chain C residue 965 TYR Chi-restraints excluded: chain C residue 971 ASP Chi-restraints excluded: chain C residue 972 LEU Chi-restraints excluded: chain C residue 974 HIS Chi-restraints excluded: chain C residue 978 THR Chi-restraints excluded: chain C residue 1036 ARG Chi-restraints excluded: chain C residue 1045 THR Chi-restraints excluded: chain C residue 1072 VAL Chi-restraints excluded: chain C residue 1076 ARG Chi-restraints excluded: chain C residue 1078 GLU Chi-restraints excluded: chain C residue 1081 TYR Chi-restraints excluded: chain C residue 1087 ARG Chi-restraints excluded: chain C residue 1093 GLU Chi-restraints excluded: chain C residue 1101 ARG Chi-restraints excluded: chain C residue 1108 GLU Chi-restraints excluded: chain C residue 1120 LEU Chi-restraints excluded: chain C residue 1132 TRP Chi-restraints excluded: chain C residue 1133 HIS Chi-restraints excluded: chain C residue 1134 LEU Chi-restraints excluded: chain C residue 1139 PHE Chi-restraints excluded: chain C residue 1143 TRP Chi-restraints excluded: chain C residue 1155 LEU Chi-restraints excluded: chain C residue 1158 ASN Chi-restraints excluded: chain C residue 1160 ILE Chi-restraints excluded: chain C residue 1163 THR Chi-restraints excluded: chain C residue 1169 LEU Chi-restraints excluded: chain C residue 1170 MET Chi-restraints excluded: chain C residue 1172 ASP Chi-restraints excluded: chain C residue 1184 ILE Chi-restraints excluded: chain C residue 1191 VAL Chi-restraints excluded: chain C residue 1201 HIS Chi-restraints excluded: chain C residue 1203 ASN Chi-restraints excluded: chain C residue 1209 SER Chi-restraints excluded: chain C residue 1219 LEU Chi-restraints excluded: chain C residue 1226 PHE Chi-restraints excluded: chain C residue 1235 THR Chi-restraints excluded: chain C residue 1240 LYS Chi-restraints excluded: chain C residue 1242 LEU Chi-restraints excluded: chain C residue 1244 GLN Chi-restraints excluded: chain C residue 1248 VAL Chi-restraints excluded: chain C residue 1251 GLU Chi-restraints excluded: chain C residue 1254 HIS Chi-restraints excluded: chain C residue 1266 THR Chi-restraints excluded: chain C residue 1272 LEU Chi-restraints excluded: chain C residue 1575 LEU Chi-restraints excluded: chain C residue 1590 GLN Chi-restraints excluded: chain C residue 1595 LEU Chi-restraints excluded: chain C residue 1597 VAL Chi-restraints excluded: chain C residue 1600 LEU Chi-restraints excluded: chain C residue 1601 MET Chi-restraints excluded: chain C residue 1605 TRP Chi-restraints excluded: chain C residue 1613 LEU Chi-restraints excluded: chain C residue 1630 CYS Chi-restraints excluded: chain C residue 1636 MET Chi-restraints excluded: chain C residue 1639 LEU Chi-restraints excluded: chain C residue 1641 ILE Chi-restraints excluded: chain C residue 1648 MET Chi-restraints excluded: chain C residue 1649 ASP Chi-restraints excluded: chain C residue 1652 GLU Chi-restraints excluded: chain C residue 1654 SER Chi-restraints excluded: chain C residue 1657 LEU Chi-restraints excluded: chain C residue 1658 ASP Chi-restraints excluded: chain C residue 1661 ARG Chi-restraints excluded: chain C residue 1663 HIS Chi-restraints excluded: chain C residue 1673 VAL Chi-restraints excluded: chain C residue 1679 ASN Chi-restraints excluded: chain C residue 1680 ARG Chi-restraints excluded: chain C residue 1686 CYS Chi-restraints excluded: chain C residue 1694 LEU Chi-restraints excluded: chain C residue 1695 LEU Chi-restraints excluded: chain C residue 1699 GLU Chi-restraints excluded: chain C residue 1700 ASP Chi-restraints excluded: chain C residue 1703 LEU Chi-restraints excluded: chain C residue 1707 LEU Chi-restraints excluded: chain C residue 1713 ASP Chi-restraints excluded: chain C residue 1720 LEU Chi-restraints excluded: chain C residue 1721 GLU Chi-restraints excluded: chain C residue 1731 LEU Chi-restraints excluded: chain C residue 1738 LEU Chi-restraints excluded: chain C residue 1739 THR Chi-restraints excluded: chain C residue 1743 ARG Chi-restraints excluded: chain C residue 1768 THR Chi-restraints excluded: chain C residue 1770 SER Chi-restraints excluded: chain C residue 1772 ARG Chi-restraints excluded: chain C residue 1778 SER Chi-restraints excluded: chain C residue 1786 LEU Chi-restraints excluded: chain C residue 1797 ARG Chi-restraints excluded: chain C residue 1798 LEU Chi-restraints excluded: chain C residue 1813 ARG Chi-restraints excluded: chain C residue 1819 VAL Chi-restraints excluded: chain C residue 1844 LEU Chi-restraints excluded: chain C residue 1848 LEU Chi-restraints excluded: chain C residue 1850 VAL Chi-restraints excluded: chain C residue 1853 ILE Chi-restraints excluded: chain C residue 1856 ASP Chi-restraints excluded: chain C residue 1857 GLU Chi-restraints excluded: chain C residue 1861 GLN Chi-restraints excluded: chain C residue 1863 LEU Chi-restraints excluded: chain C residue 1870 VAL Chi-restraints excluded: chain C residue 1928 GLN Chi-restraints excluded: chain C residue 1935 VAL Chi-restraints excluded: chain C residue 1939 MET Chi-restraints excluded: chain C residue 1942 LEU Chi-restraints excluded: chain C residue 1943 LEU Chi-restraints excluded: chain C residue 1947 CYS Chi-restraints excluded: chain C residue 1951 LEU Chi-restraints excluded: chain C residue 1958 LEU Chi-restraints excluded: chain C residue 1963 GLU Chi-restraints excluded: chain C residue 1964 ARG Chi-restraints excluded: chain C residue 1966 VAL Chi-restraints excluded: chain C residue 1968 LYS Chi-restraints excluded: chain C residue 1976 ARG Chi-restraints excluded: chain C residue 1996 ARG Chi-restraints excluded: chain C residue 2011 HIS Chi-restraints excluded: chain C residue 2030 ASP Chi-restraints excluded: chain C residue 2031 LEU Chi-restraints excluded: chain C residue 2034 PHE Chi-restraints excluded: chain C residue 2035 HIS Chi-restraints excluded: chain C residue 2039 LEU Chi-restraints excluded: chain C residue 2095 GLN Chi-restraints excluded: chain C residue 2098 VAL Chi-restraints excluded: chain C residue 2101 MET Chi-restraints excluded: chain C residue 2102 VAL Chi-restraints excluded: chain C residue 2103 VAL Chi-restraints excluded: chain C residue 2104 ARG Chi-restraints excluded: chain C residue 2115 GLU Chi-restraints excluded: chain C residue 2117 VAL Chi-restraints excluded: chain C residue 2118 ARG Chi-restraints excluded: chain C residue 2120 MET Chi-restraints excluded: chain C residue 2122 SER Chi-restraints excluded: chain C residue 2125 HIS Chi-restraints excluded: chain C residue 2128 TYR Chi-restraints excluded: chain C residue 2138 LEU Chi-restraints excluded: chain C residue 2143 THR Chi-restraints excluded: chain C residue 2145 SER Chi-restraints excluded: chain C residue 2148 SER Chi-restraints excluded: chain C residue 2150 GLU Chi-restraints excluded: chain C residue 2155 LEU Chi-restraints excluded: chain C residue 2164 SER Chi-restraints excluded: chain C residue 2166 LEU Chi-restraints excluded: chain C residue 2169 GLN Chi-restraints excluded: chain C residue 2184 ASN Chi-restraints excluded: chain C residue 2185 ILE Chi-restraints excluded: chain C residue 2186 MET Chi-restraints excluded: chain C residue 2187 ASN Chi-restraints excluded: chain C residue 2189 LYS Chi-restraints excluded: chain C residue 2197 LEU Chi-restraints excluded: chain C residue 2203 MET Chi-restraints excluded: chain C residue 2204 HIS Chi-restraints excluded: chain C residue 2207 VAL Chi-restraints excluded: chain C residue 2225 PHE Chi-restraints excluded: chain C residue 2228 MET Chi-restraints excluded: chain C residue 2229 VAL Chi-restraints excluded: chain C residue 2231 SER Chi-restraints excluded: chain C residue 2232 CYS Chi-restraints excluded: chain C residue 2237 CYS Chi-restraints excluded: chain C residue 2245 GLN Chi-restraints excluded: chain C residue 2246 ASN Chi-restraints excluded: chain C residue 2248 ARG Chi-restraints excluded: chain C residue 2254 LEU Chi-restraints excluded: chain C residue 2256 TYR Chi-restraints excluded: chain C residue 2258 LEU Chi-restraints excluded: chain C residue 2260 ASN Chi-restraints excluded: chain C residue 2265 LEU Chi-restraints excluded: chain C residue 2275 VAL Chi-restraints excluded: chain C residue 2279 SER Chi-restraints excluded: chain C residue 2280 VAL Chi-restraints excluded: chain C residue 2292 GLU Chi-restraints excluded: chain C residue 2298 VAL Chi-restraints excluded: chain C residue 2330 ARG Chi-restraints excluded: chain C residue 2334 PHE Chi-restraints excluded: chain C residue 2339 VAL Chi-restraints excluded: chain C residue 2340 PHE Chi-restraints excluded: chain C residue 2346 VAL Chi-restraints excluded: chain C residue 2348 GLU Chi-restraints excluded: chain C residue 2349 ASN Chi-restraints excluded: chain C residue 2353 VAL Chi-restraints excluded: chain C residue 2354 VAL Chi-restraints excluded: chain C residue 2356 LEU Chi-restraints excluded: chain C residue 2357 LEU Chi-restraints excluded: chain C residue 2368 LEU Chi-restraints excluded: chain C residue 2376 LEU Chi-restraints excluded: chain C residue 2377 LEU Chi-restraints excluded: chain C residue 2380 ILE Chi-restraints excluded: chain C residue 2386 ILE Chi-restraints excluded: chain C residue 2418 LEU Chi-restraints excluded: chain C residue 2432 LEU Chi-restraints excluded: chain C residue 2433 LEU Chi-restraints excluded: chain C residue 2449 GLU Chi-restraints excluded: chain C residue 2451 LEU Chi-restraints excluded: chain C residue 2454 ARG Chi-restraints excluded: chain C residue 2457 LEU Chi-restraints excluded: chain C residue 2460 LEU Chi-restraints excluded: chain C residue 2463 LEU Chi-restraints excluded: chain C residue 2472 LEU Chi-restraints excluded: chain C residue 2756 ASN Chi-restraints excluded: chain C residue 2760 GLU Chi-restraints excluded: chain C residue 2762 THR Chi-restraints excluded: chain C residue 2773 ASN Chi-restraints excluded: chain C residue 2796 THR Chi-restraints excluded: chain C residue 2816 MET Chi-restraints excluded: chain C residue 2821 TRP Chi-restraints excluded: chain C residue 2827 ARG Chi-restraints excluded: chain C residue 2855 TYR Chi-restraints excluded: chain C residue 2856 ASN Chi-restraints excluded: chain C residue 2867 LEU Chi-restraints excluded: chain C residue 2868 SER Chi-restraints excluded: chain C residue 2872 GLN Chi-restraints excluded: chain C residue 2881 ASN Chi-restraints excluded: chain C residue 2888 ARG Chi-restraints excluded: chain C residue 2905 LEU Chi-restraints excluded: chain C residue 2906 VAL Chi-restraints excluded: chain C residue 2910 THR Chi-restraints excluded: chain C residue 2911 LEU Chi-restraints excluded: chain C residue 2929 PHE Chi-restraints excluded: chain C residue 2935 TYR Chi-restraints excluded: chain C residue 2938 THR Chi-restraints excluded: chain C residue 3639 THR Chi-restraints excluded: chain C residue 3644 LEU Chi-restraints excluded: chain C residue 3646 THR Chi-restraints excluded: chain C residue 3651 ASN Chi-restraints excluded: chain C residue 3652 MET Chi-restraints excluded: chain C residue 3657 TYR Chi-restraints excluded: chain C residue 3661 TRP Chi-restraints excluded: chain C residue 3663 LEU Chi-restraints excluded: chain C residue 3665 GLU Chi-restraints excluded: chain C residue 3666 ASP Chi-restraints excluded: chain C residue 3669 PHE Chi-restraints excluded: chain C residue 3676 ASP Chi-restraints excluded: chain C residue 3679 LYS Chi-restraints excluded: chain C residue 3697 PRO Chi-restraints excluded: chain C residue 3698 LEU Chi-restraints excluded: chain C residue 3702 VAL Chi-restraints excluded: chain C residue 3708 THR Chi-restraints excluded: chain C residue 3711 THR Chi-restraints excluded: chain C residue 3714 SER Chi-restraints excluded: chain C residue 3717 ASP Chi-restraints excluded: chain C residue 3720 TYR Chi-restraints excluded: chain C residue 3725 TYR Chi-restraints excluded: chain C residue 3727 ASP Chi-restraints excluded: chain C residue 3753 PHE Chi-restraints excluded: chain C residue 3759 GLU Chi-restraints excluded: chain C residue 3763 LEU Chi-restraints excluded: chain C residue 3766 GLN Chi-restraints excluded: chain C residue 3773 ARG Chi-restraints excluded: chain C residue 3780 LEU Chi-restraints excluded: chain C residue 3786 CYS Chi-restraints excluded: chain C residue 3787 LYS Chi-restraints excluded: chain C residue 3790 THR Chi-restraints excluded: chain C residue 3796 SER Chi-restraints excluded: chain C residue 3797 THR Chi-restraints excluded: chain C residue 3798 LEU Chi-restraints excluded: chain C residue 3802 ILE Chi-restraints excluded: chain C residue 3811 GLU Chi-restraints excluded: chain C residue 3816 MET Chi-restraints excluded: chain C residue 3817 LEU Chi-restraints excluded: chain C residue 3822 ASP Chi-restraints excluded: chain C residue 3828 PHE Chi-restraints excluded: chain C residue 3836 MET Chi-restraints excluded: chain C residue 3838 THR Chi-restraints excluded: chain C residue 3843 ASP Chi-restraints excluded: chain C residue 3844 LEU Chi-restraints excluded: chain C residue 3847 PHE Chi-restraints excluded: chain C residue 3873 LYS Chi-restraints excluded: chain C residue 3881 THR Chi-restraints excluded: chain C residue 3882 GLN Chi-restraints excluded: chain C residue 3883 ASP Chi-restraints excluded: chain C residue 3884 LEU Chi-restraints excluded: chain C residue 3890 LEU Chi-restraints excluded: chain C residue 3891 LEU Chi-restraints excluded: chain C residue 3895 HIS Chi-restraints excluded: chain C residue 3900 GLN Chi-restraints excluded: chain C residue 3902 TYR Chi-restraints excluded: chain C residue 3907 THR Chi-restraints excluded: chain C residue 3909 ASN Chi-restraints excluded: chain C residue 3913 ILE Chi-restraints excluded: chain C residue 3915 ILE Chi-restraints excluded: chain C residue 3916 ILE Chi-restraints excluded: chain C residue 3917 ILE Chi-restraints excluded: chain C residue 3920 VAL Chi-restraints excluded: chain C residue 3924 LEU Chi-restraints excluded: chain C residue 3927 GLN Chi-restraints excluded: chain C residue 3928 GLU Chi-restraints excluded: chain C residue 3929 SER Chi-restraints excluded: chain C residue 3931 SER Chi-restraints excluded: chain C residue 3932 ASP Chi-restraints excluded: chain C residue 3937 TYR Chi-restraints excluded: chain C residue 3944 GLU Chi-restraints excluded: chain C residue 3946 GLN Chi-restraints excluded: chain C residue 3948 LYS Chi-restraints excluded: chain C residue 3953 LYS Chi-restraints excluded: chain C residue 3957 VAL Chi-restraints excluded: chain C residue 3959 LYS Chi-restraints excluded: chain C residue 3963 ASN Chi-restraints excluded: chain C residue 3964 SER Chi-restraints excluded: chain C residue 3974 THR Chi-restraints excluded: chain C residue 3979 SER Chi-restraints excluded: chain C residue 3982 HIS Chi-restraints excluded: chain C residue 3986 TRP Chi-restraints excluded: chain C residue 3987 ASP Chi-restraints excluded: chain C residue 3990 VAL Chi-restraints excluded: chain C residue 3996 PHE Chi-restraints excluded: chain C residue 4011 GLU Chi-restraints excluded: chain C residue 4014 LYS Chi-restraints excluded: chain C residue 4016 LEU Chi-restraints excluded: chain C residue 4022 ASP Chi-restraints excluded: chain C residue 4023 MET Chi-restraints excluded: chain C residue 4025 VAL Chi-restraints excluded: chain C residue 4034 ASN Chi-restraints excluded: chain C residue 4035 VAL Chi-restraints excluded: chain C residue 4044 MET Chi-restraints excluded: chain C residue 4045 VAL Chi-restraints excluded: chain C residue 4046 ASP Chi-restraints excluded: chain C residue 4049 VAL Chi-restraints excluded: chain C residue 4055 VAL Chi-restraints excluded: chain C residue 4058 ILE Chi-restraints excluded: chain C residue 4059 LEU Chi-restraints excluded: chain C residue 4063 ASP Chi-restraints excluded: chain C residue 4066 LEU Chi-restraints excluded: chain C residue 4068 LEU Chi-restraints excluded: chain C residue 4071 ILE Chi-restraints excluded: chain C residue 4088 ILE Chi-restraints excluded: chain C residue 4090 LYS Chi-restraints excluded: chain C residue 4095 LYS Chi-restraints excluded: chain C residue 4102 GLN Chi-restraints excluded: chain C residue 4109 GLN Chi-restraints excluded: chain C residue 4121 GLU Chi-restraints excluded: chain C residue 4128 PHE Chi-restraints excluded: chain C residue 4139 ILE Chi-restraints excluded: chain C residue 4142 ASN Chi-restraints excluded: chain C residue 4143 VAL Chi-restraints excluded: chain C residue 4145 VAL Chi-restraints excluded: chain C residue 4150 LEU Chi-restraints excluded: chain C residue 4151 SER Chi-restraints excluded: chain C residue 4157 ASP Chi-restraints excluded: chain C residue 4159 ARG Chi-restraints excluded: chain C residue 4160 LEU Chi-restraints excluded: chain C residue 4162 ASN Chi-restraints excluded: chain C residue 4164 LEU Chi-restraints excluded: chain C residue 4166 LEU Chi-restraints excluded: chain C residue 4171 LEU Chi-restraints excluded: chain C residue 4178 LEU Chi-restraints excluded: chain C residue 4180 ARG Chi-restraints excluded: chain C residue 4181 ILE Chi-restraints excluded: chain C residue 4190 ILE Chi-restraints excluded: chain C residue 4192 ARG Chi-restraints excluded: chain C residue 4195 PHE Chi-restraints excluded: chain C residue 4200 THR Chi-restraints excluded: chain C residue 4202 ARG Chi-restraints excluded: chain C residue 4205 TRP Chi-restraints excluded: chain C residue 4212 GLU Chi-restraints excluded: chain C residue 4237 PHE Chi-restraints excluded: chain C residue 4238 CYS Chi-restraints excluded: chain C residue 4244 GLU Chi-restraints excluded: chain C residue 4250 GLN Chi-restraints excluded: chain C residue 4251 ILE Chi-restraints excluded: chain C residue 4252 SER Chi-restraints excluded: chain C residue 4546 VAL Chi-restraints excluded: chain C residue 4547 GLN Chi-restraints excluded: chain C residue 4548 ARG Chi-restraints excluded: chain C residue 4549 VAL Chi-restraints excluded: chain C residue 4558 ASN Chi-restraints excluded: chain C residue 4559 PHE Chi-restraints excluded: chain C residue 4563 ARG Chi-restraints excluded: chain C residue 4565 LEU Chi-restraints excluded: chain C residue 4571 PHE Chi-restraints excluded: chain C residue 4573 ILE Chi-restraints excluded: chain C residue 4576 ILE Chi-restraints excluded: chain C residue 4577 LEU Chi-restraints excluded: chain C residue 4578 LEU Chi-restraints excluded: chain C residue 4582 VAL Chi-restraints excluded: chain C residue 4630 TYR Chi-restraints excluded: chain C residue 4631 PHE Chi-restraints excluded: chain C residue 4632 LEU Chi-restraints excluded: chain C residue 4635 SER Chi-restraints excluded: chain C residue 4638 TYR Chi-restraints excluded: chain C residue 4646 LEU Chi-restraints excluded: chain C residue 4648 LEU Chi-restraints excluded: chain C residue 4649 LEU Chi-restraints excluded: chain C residue 4652 LEU Chi-restraints excluded: chain C residue 4653 VAL Chi-restraints excluded: chain C residue 4656 LEU Chi-restraints excluded: chain C residue 4657 CYS Chi-restraints excluded: chain C residue 4663 CYS Chi-restraints excluded: chain C residue 4666 VAL Chi-restraints excluded: chain C residue 4668 LEU Chi-restraints excluded: chain C residue 4671 PHE Chi-restraints excluded: chain C residue 4674 GLU Chi-restraints excluded: chain C residue 4676 GLU Chi-restraints excluded: chain C residue 4677 LEU Chi-restraints excluded: chain C residue 4682 GLU Chi-restraints excluded: chain C residue 4684 ASP Chi-restraints excluded: chain C residue 4686 LEU Chi-restraints excluded: chain C residue 4688 ILE Chi-restraints excluded: chain C residue 4701 TRP Chi-restraints excluded: chain C residue 4710 SER Chi-restraints excluded: chain C residue 4714 ASN Chi-restraints excluded: chain C residue 4723 LYS Chi-restraints excluded: chain C residue 4727 LYS Chi-restraints excluded: chain C residue 4731 ILE Chi-restraints excluded: chain C residue 4739 GLU Chi-restraints excluded: chain C residue 4743 MET Chi-restraints excluded: chain C residue 4747 SER Chi-restraints excluded: chain C residue 4770 SER Chi-restraints excluded: chain C residue 4771 ILE Chi-restraints excluded: chain C residue 4774 LYS Chi-restraints excluded: chain C residue 4780 PHE Chi-restraints excluded: chain C residue 4782 VAL Chi-restraints excluded: chain C residue 4783 ILE Chi-restraints excluded: chain C residue 4786 ASP Chi-restraints excluded: chain C residue 4791 TYR Chi-restraints excluded: chain C residue 4794 TRP Chi-restraints excluded: chain C residue 4797 VAL Chi-restraints excluded: chain C residue 4798 MET Chi-restraints excluded: chain C residue 4800 LEU Chi-restraints excluded: chain C residue 4807 PHE Chi-restraints excluded: chain C residue 4814 LEU Chi-restraints excluded: chain C residue 4818 MET Chi-restraints excluded: chain C residue 4822 THR Chi-restraints excluded: chain C residue 4827 LEU Chi-restraints excluded: chain C residue 4830 VAL Chi-restraints excluded: chain C residue 4836 GLN Chi-restraints excluded: chain C residue 4838 VAL Chi-restraints excluded: chain C residue 4843 LEU Chi-restraints excluded: chain C residue 4849 TYR Chi-restraints excluded: chain C residue 4852 THR Chi-restraints excluded: chain C residue 4854 VAL Chi-restraints excluded: chain C residue 4864 ASN Chi-restraints excluded: chain C residue 4867 GLU Chi-restraints excluded: chain C residue 4877 ASP Chi-restraints excluded: chain C residue 4901 ILE Chi-restraints excluded: chain C residue 4904 PRO Chi-restraints excluded: chain C residue 4913 ARG Chi-restraints excluded: chain C residue 4915 VAL Chi-restraints excluded: chain C residue 4918 ILE Chi-restraints excluded: chain C residue 4919 THR Chi-restraints excluded: chain C residue 4920 PHE Chi-restraints excluded: chain C residue 4921 PHE Chi-restraints excluded: chain C residue 4931 ILE Chi-restraints excluded: chain C residue 4936 ILE Chi-restraints excluded: chain C residue 4945 ASP Chi-restraints excluded: chain C residue 4950 VAL Chi-restraints excluded: chain C residue 4960 ILE Chi-restraints excluded: chain C residue 4963 ILE Chi-restraints excluded: chain C residue 4966 ASP Chi-restraints excluded: chain C residue 4983 HIS Chi-restraints excluded: chain C residue 4984 ASN Chi-restraints excluded: chain C residue 4985 LEU Chi-restraints excluded: chain C residue 4990 PHE Chi-restraints excluded: chain C residue 4991 PHE Chi-restraints excluded: chain C residue 4994 TYR Chi-restraints excluded: chain C residue 4998 LYS Chi-restraints excluded: chain C residue 4999 ASP Chi-restraints excluded: chain C residue 5010 VAL Chi-restraints excluded: chain C residue 5013 MET Chi-restraints excluded: chain C residue 5014 TYR Chi-restraints excluded: chain C residue 5016 GLU Chi-restraints excluded: chain C residue 5020 ASP Chi-restraints excluded: chain C residue 5027 CYS Chi-restraints excluded: chain D residue 12 GLN Chi-restraints excluded: chain D residue 14 LEU Chi-restraints excluded: chain D residue 15 ARG Chi-restraints excluded: chain D residue 16 THR Chi-restraints excluded: chain D residue 17 ASP Chi-restraints excluded: chain D residue 18 ASP Chi-restraints excluded: chain D residue 19 GLU Chi-restraints excluded: chain D residue 29 LEU Chi-restraints excluded: chain D residue 35 LEU Chi-restraints excluded: chain D residue 40 GLU Chi-restraints excluded: chain D residue 44 ASN Chi-restraints excluded: chain D residue 49 LEU Chi-restraints excluded: chain D residue 66 CYS Chi-restraints excluded: chain D residue 67 PHE Chi-restraints excluded: chain D residue 69 LEU Chi-restraints excluded: chain D residue 70 GLU Chi-restraints excluded: chain D residue 72 SER Chi-restraints excluded: chain D residue 73 LEU Chi-restraints excluded: chain D residue 74 SER Chi-restraints excluded: chain D residue 75 VAL Chi-restraints excluded: chain D residue 76 ARG Chi-restraints excluded: chain D residue 78 LEU Chi-restraints excluded: chain D residue 81 MET Chi-restraints excluded: chain D residue 100 THR Chi-restraints excluded: chain D residue 111 HIS Chi-restraints excluded: chain D residue 113 HIS Chi-restraints excluded: chain D residue 121 LEU Chi-restraints excluded: chain D residue 122 THR Chi-restraints excluded: chain D residue 123 THR Chi-restraints excluded: chain D residue 124 SER Chi-restraints excluded: chain D residue 133 PHE Chi-restraints excluded: chain D residue 134 ASP Chi-restraints excluded: chain D residue 135 VAL Chi-restraints excluded: chain D residue 142 THR Chi-restraints excluded: chain D residue 144 GLU Chi-restraints excluded: chain D residue 149 THR Chi-restraints excluded: chain D residue 152 PRO Chi-restraints excluded: chain D residue 156 GLN Chi-restraints excluded: chain D residue 163 VAL Chi-restraints excluded: chain D residue 165 VAL Chi-restraints excluded: chain D residue 167 ASP Chi-restraints excluded: chain D residue 169 LEU Chi-restraints excluded: chain D residue 173 SER Chi-restraints excluded: chain D residue 179 TYR Chi-restraints excluded: chain D residue 181 HIS Chi-restraints excluded: chain D residue 183 SER Chi-restraints excluded: chain D residue 189 LEU Chi-restraints excluded: chain D residue 191 VAL Chi-restraints excluded: chain D residue 205 ILE Chi-restraints excluded: chain D residue 206 CYS Chi-restraints excluded: chain D residue 208 CYS Chi-restraints excluded: chain D residue 210 GLU Chi-restraints excluded: chain D residue 211 GLU Chi-restraints excluded: chain D residue 220 LEU Chi-restraints excluded: chain D residue 222 LEU Chi-restraints excluded: chain D residue 238 SER Chi-restraints excluded: chain D residue 244 LEU Chi-restraints excluded: chain D residue 246 TYR Chi-restraints excluded: chain D residue 247 TYR Chi-restraints excluded: chain D residue 257 ARG Chi-restraints excluded: chain D residue 262 LEU Chi-restraints excluded: chain D residue 270 SER Chi-restraints excluded: chain D residue 275 ARG Chi-restraints excluded: chain D residue 282 ILE Chi-restraints excluded: chain D residue 283 ARG Chi-restraints excluded: chain D residue 286 THR Chi-restraints excluded: chain D residue 293 LEU Chi-restraints excluded: chain D residue 294 THR Chi-restraints excluded: chain D residue 299 LEU Chi-restraints excluded: chain D residue 312 THR Chi-restraints excluded: chain D residue 313 SER Chi-restraints excluded: chain D residue 315 CYS Chi-restraints excluded: chain D residue 343 GLU Chi-restraints excluded: chain D residue 357 LEU Chi-restraints excluded: chain D residue 358 THR Chi-restraints excluded: chain D residue 359 TYR Chi-restraints excluded: chain D residue 372 LEU Chi-restraints excluded: chain D residue 373 LYS Chi-restraints excluded: chain D residue 390 LEU Chi-restraints excluded: chain D residue 394 GLN Chi-restraints excluded: chain D residue 396 GLU Chi-restraints excluded: chain D residue 397 GLU Chi-restraints excluded: chain D residue 398 SER Chi-restraints excluded: chain D residue 403 MET Chi-restraints excluded: chain D residue 404 ILE Chi-restraints excluded: chain D residue 410 LEU Chi-restraints excluded: chain D residue 415 ILE Chi-restraints excluded: chain D residue 420 SER Chi-restraints excluded: chain D residue 438 ILE Chi-restraints excluded: chain D residue 439 GLU Chi-restraints excluded: chain D residue 452 PHE Chi-restraints excluded: chain D residue 453 GLU Chi-restraints excluded: chain D residue 455 PRO Chi-restraints excluded: chain D residue 460 GLN Chi-restraints excluded: chain D residue 462 GLU Chi-restraints excluded: chain D residue 463 GLU Chi-restraints excluded: chain D residue 469 ARG Chi-restraints excluded: chain D residue 483 MET Chi-restraints excluded: chain D residue 485 SER Chi-restraints excluded: chain D residue 486 LEU Chi-restraints excluded: chain D residue 487 VAL Chi-restraints excluded: chain D residue 488 LEU Chi-restraints excluded: chain D residue 491 ILE Chi-restraints excluded: chain D residue 497 TYR Chi-restraints excluded: chain D residue 506 TYR Chi-restraints excluded: chain D residue 510 GLU Chi-restraints excluded: chain D residue 513 GLU Chi-restraints excluded: chain D residue 514 SER Chi-restraints excluded: chain D residue 515 TRP Chi-restraints excluded: chain D residue 517 GLU Chi-restraints excluded: chain D residue 519 VAL Chi-restraints excluded: chain D residue 522 LEU Chi-restraints excluded: chain D residue 526 LEU Chi-restraints excluded: chain D residue 529 LEU Chi-restraints excluded: chain D residue 530 ILE Chi-restraints excluded: chain D residue 533 ASN Chi-restraints excluded: chain D residue 536 ASN Chi-restraints excluded: chain D residue 539 LEU Chi-restraints excluded: chain D residue 540 PHE Chi-restraints excluded: chain D residue 541 SER Chi-restraints excluded: chain D residue 547 VAL Chi-restraints excluded: chain D residue 561 LEU Chi-restraints excluded: chain D residue 563 VAL Chi-restraints excluded: chain D residue 569 ILE Chi-restraints excluded: chain D residue 571 SER Chi-restraints excluded: chain D residue 575 LEU Chi-restraints excluded: chain D residue 579 GLN Chi-restraints excluded: chain D residue 580 GLU Chi-restraints excluded: chain D residue 586 ILE Chi-restraints excluded: chain D residue 590 LEU Chi-restraints excluded: chain D residue 591 ASP Chi-restraints excluded: chain D residue 602 VAL Chi-restraints excluded: chain D residue 605 SER Chi-restraints excluded: chain D residue 609 CYS Chi-restraints excluded: chain D residue 614 VAL Chi-restraints excluded: chain D residue 621 ILE Chi-restraints excluded: chain D residue 622 THR Chi-restraints excluded: chain D residue 625 LEU Chi-restraints excluded: chain D residue 631 LEU Chi-restraints excluded: chain D residue 633 LEU Chi-restraints excluded: chain D residue 635 THR Chi-restraints excluded: chain D residue 638 ILE Chi-restraints excluded: chain D residue 642 THR Chi-restraints excluded: chain D residue 661 LYS Chi-restraints excluded: chain D residue 663 TYR Chi-restraints excluded: chain D residue 665 GLU Chi-restraints excluded: chain D residue 667 MET Chi-restraints excluded: chain D residue 669 ASP Chi-restraints excluded: chain D residue 676 THR Chi-restraints excluded: chain D residue 680 THR Chi-restraints excluded: chain D residue 681 HIS Chi-restraints excluded: chain D residue 682 LEU Chi-restraints excluded: chain D residue 690 GLU Chi-restraints excluded: chain D residue 695 TYR Chi-restraints excluded: chain D residue 702 TRP Chi-restraints excluded: chain D residue 709 ASP Chi-restraints excluded: chain D residue 710 ASP Chi-restraints excluded: chain D residue 712 TYR Chi-restraints excluded: chain D residue 714 TYR Chi-restraints excluded: chain D residue 719 LEU Chi-restraints excluded: chain D residue 730 VAL Chi-restraints excluded: chain D residue 735 GLN Chi-restraints excluded: chain D residue 748 LEU Chi-restraints excluded: chain D residue 749 ASP Chi-restraints excluded: chain D residue 751 SER Chi-restraints excluded: chain D residue 752 VAL Chi-restraints excluded: chain D residue 754 SER Chi-restraints excluded: chain D residue 756 SER Chi-restraints excluded: chain D residue 771 PHE Chi-restraints excluded: chain D residue 783 PHE Chi-restraints excluded: chain D residue 784 SER Chi-restraints excluded: chain D residue 801 LYS Chi-restraints excluded: chain D residue 802 PHE Chi-restraints excluded: chain D residue 815 VAL Chi-restraints excluded: chain D residue 822 ARG Chi-restraints excluded: chain D residue 839 LEU Chi-restraints excluded: chain D residue 840 VAL Chi-restraints excluded: chain D residue 862 VAL Chi-restraints excluded: chain D residue 867 LEU Chi-restraints excluded: chain D residue 869 ARG Chi-restraints excluded: chain D residue 886 ARG Chi-restraints excluded: chain D residue 896 VAL Chi-restraints excluded: chain D residue 900 ASN Chi-restraints excluded: chain D residue 908 VAL Chi-restraints excluded: chain D residue 910 PHE Chi-restraints excluded: chain D residue 923 GLN Chi-restraints excluded: chain D residue 925 SER Chi-restraints excluded: chain D residue 928 THR Chi-restraints excluded: chain D residue 948 ASP Chi-restraints excluded: chain D residue 961 MET Chi-restraints excluded: chain D residue 965 TYR Chi-restraints excluded: chain D residue 971 ASP Chi-restraints excluded: chain D residue 972 LEU Chi-restraints excluded: chain D residue 974 HIS Chi-restraints excluded: chain D residue 978 THR Chi-restraints excluded: chain D residue 1036 ARG Chi-restraints excluded: chain D residue 1045 THR Chi-restraints excluded: chain D residue 1054 GLU Chi-restraints excluded: chain D residue 1072 VAL Chi-restraints excluded: chain D residue 1076 ARG Chi-restraints excluded: chain D residue 1078 GLU Chi-restraints excluded: chain D residue 1081 TYR Chi-restraints excluded: chain D residue 1087 ARG Chi-restraints excluded: chain D residue 1101 ARG Chi-restraints excluded: chain D residue 1108 GLU Chi-restraints excluded: chain D residue 1120 LEU Chi-restraints excluded: chain D residue 1132 TRP Chi-restraints excluded: chain D residue 1133 HIS Chi-restraints excluded: chain D residue 1134 LEU Chi-restraints excluded: chain D residue 1139 PHE Chi-restraints excluded: chain D residue 1143 TRP Chi-restraints excluded: chain D residue 1155 LEU Chi-restraints excluded: chain D residue 1158 ASN Chi-restraints excluded: chain D residue 1160 ILE Chi-restraints excluded: chain D residue 1163 THR Chi-restraints excluded: chain D residue 1169 LEU Chi-restraints excluded: chain D residue 1172 ASP Chi-restraints excluded: chain D residue 1184 ILE Chi-restraints excluded: chain D residue 1191 VAL Chi-restraints excluded: chain D residue 1201 HIS Chi-restraints excluded: chain D residue 1203 ASN Chi-restraints excluded: chain D residue 1209 SER Chi-restraints excluded: chain D residue 1219 LEU Chi-restraints excluded: chain D residue 1226 PHE Chi-restraints excluded: chain D residue 1235 THR Chi-restraints excluded: chain D residue 1240 LYS Chi-restraints excluded: chain D residue 1242 LEU Chi-restraints excluded: chain D residue 1244 GLN Chi-restraints excluded: chain D residue 1248 VAL Chi-restraints excluded: chain D residue 1251 GLU Chi-restraints excluded: chain D residue 1254 HIS Chi-restraints excluded: chain D residue 1266 THR Chi-restraints excluded: chain D residue 1272 LEU Chi-restraints excluded: chain D residue 1575 LEU Chi-restraints excluded: chain D residue 1590 GLN Chi-restraints excluded: chain D residue 1595 LEU Chi-restraints excluded: chain D residue 1597 VAL Chi-restraints excluded: chain D residue 1600 LEU Chi-restraints excluded: chain D residue 1601 MET Chi-restraints excluded: chain D residue 1605 TRP Chi-restraints excluded: chain D residue 1613 LEU Chi-restraints excluded: chain D residue 1630 CYS Chi-restraints excluded: chain D residue 1639 LEU Chi-restraints excluded: chain D residue 1641 ILE Chi-restraints excluded: chain D residue 1648 MET Chi-restraints excluded: chain D residue 1649 ASP Chi-restraints excluded: chain D residue 1652 GLU Chi-restraints excluded: chain D residue 1654 SER Chi-restraints excluded: chain D residue 1657 LEU Chi-restraints excluded: chain D residue 1658 ASP Chi-restraints excluded: chain D residue 1661 ARG Chi-restraints excluded: chain D residue 1663 HIS Chi-restraints excluded: chain D residue 1673 VAL Chi-restraints excluded: chain D residue 1679 ASN Chi-restraints excluded: chain D residue 1686 CYS Chi-restraints excluded: chain D residue 1694 LEU Chi-restraints excluded: chain D residue 1699 GLU Chi-restraints excluded: chain D residue 1700 ASP Chi-restraints excluded: chain D residue 1703 LEU Chi-restraints excluded: chain D residue 1707 LEU Chi-restraints excluded: chain D residue 1713 ASP Chi-restraints excluded: chain D residue 1720 LEU Chi-restraints excluded: chain D residue 1721 GLU Chi-restraints excluded: chain D residue 1731 LEU Chi-restraints excluded: chain D residue 1738 LEU Chi-restraints excluded: chain D residue 1739 THR Chi-restraints excluded: chain D residue 1742 THR Chi-restraints excluded: chain D residue 1743 ARG Chi-restraints excluded: chain D residue 1760 HIS Chi-restraints excluded: chain D residue 1768 THR Chi-restraints excluded: chain D residue 1770 SER Chi-restraints excluded: chain D residue 1772 ARG Chi-restraints excluded: chain D residue 1778 SER Chi-restraints excluded: chain D residue 1782 PHE Chi-restraints excluded: chain D residue 1797 ARG Chi-restraints excluded: chain D residue 1798 LEU Chi-restraints excluded: chain D residue 1810 LYS Chi-restraints excluded: chain D residue 1813 ARG Chi-restraints excluded: chain D residue 1819 VAL Chi-restraints excluded: chain D residue 1844 LEU Chi-restraints excluded: chain D residue 1848 LEU Chi-restraints excluded: chain D residue 1850 VAL Chi-restraints excluded: chain D residue 1853 ILE Chi-restraints excluded: chain D residue 1856 ASP Chi-restraints excluded: chain D residue 1857 GLU Chi-restraints excluded: chain D residue 1861 GLN Chi-restraints excluded: chain D residue 1863 LEU Chi-restraints excluded: chain D residue 1870 VAL Chi-restraints excluded: chain D residue 1928 GLN Chi-restraints excluded: chain D residue 1934 SER Chi-restraints excluded: chain D residue 1935 VAL Chi-restraints excluded: chain D residue 1939 MET Chi-restraints excluded: chain D residue 1942 LEU Chi-restraints excluded: chain D residue 1943 LEU Chi-restraints excluded: chain D residue 1947 CYS Chi-restraints excluded: chain D residue 1951 LEU Chi-restraints excluded: chain D residue 1958 LEU Chi-restraints excluded: chain D residue 1963 GLU Chi-restraints excluded: chain D residue 1964 ARG Chi-restraints excluded: chain D residue 1966 VAL Chi-restraints excluded: chain D residue 1968 LYS Chi-restraints excluded: chain D residue 1976 ARG Chi-restraints excluded: chain D residue 1996 ARG Chi-restraints excluded: chain D residue 1997 GLU Chi-restraints excluded: chain D residue 2030 ASP Chi-restraints excluded: chain D residue 2031 LEU Chi-restraints excluded: chain D residue 2034 PHE Chi-restraints excluded: chain D residue 2035 HIS Chi-restraints excluded: chain D residue 2039 LEU Chi-restraints excluded: chain D residue 2095 GLN Chi-restraints excluded: chain D residue 2098 VAL Chi-restraints excluded: chain D residue 2101 MET Chi-restraints excluded: chain D residue 2102 VAL Chi-restraints excluded: chain D residue 2103 VAL Chi-restraints excluded: chain D residue 2104 ARG Chi-restraints excluded: chain D residue 2115 GLU Chi-restraints excluded: chain D residue 2117 VAL Chi-restraints excluded: chain D residue 2118 ARG Chi-restraints excluded: chain D residue 2120 MET Chi-restraints excluded: chain D residue 2122 SER Chi-restraints excluded: chain D residue 2125 HIS Chi-restraints excluded: chain D residue 2128 TYR Chi-restraints excluded: chain D residue 2138 LEU Chi-restraints excluded: chain D residue 2143 THR Chi-restraints excluded: chain D residue 2145 SER Chi-restraints excluded: chain D residue 2148 SER Chi-restraints excluded: chain D residue 2150 GLU Chi-restraints excluded: chain D residue 2155 LEU Chi-restraints excluded: chain D residue 2164 SER Chi-restraints excluded: chain D residue 2166 LEU Chi-restraints excluded: chain D residue 2169 GLN Chi-restraints excluded: chain D residue 2184 ASN Chi-restraints excluded: chain D residue 2185 ILE Chi-restraints excluded: chain D residue 2186 MET Chi-restraints excluded: chain D residue 2187 ASN Chi-restraints excluded: chain D residue 2189 LYS Chi-restraints excluded: chain D residue 2197 LEU Chi-restraints excluded: chain D residue 2203 MET Chi-restraints excluded: chain D residue 2207 VAL Chi-restraints excluded: chain D residue 2225 PHE Chi-restraints excluded: chain D residue 2228 MET Chi-restraints excluded: chain D residue 2229 VAL Chi-restraints excluded: chain D residue 2231 SER Chi-restraints excluded: chain D residue 2232 CYS Chi-restraints excluded: chain D residue 2237 CYS Chi-restraints excluded: chain D residue 2245 GLN Chi-restraints excluded: chain D residue 2246 ASN Chi-restraints excluded: chain D residue 2248 ARG Chi-restraints excluded: chain D residue 2254 LEU Chi-restraints excluded: chain D residue 2256 TYR Chi-restraints excluded: chain D residue 2258 LEU Chi-restraints excluded: chain D residue 2260 ASN Chi-restraints excluded: chain D residue 2275 VAL Chi-restraints excluded: chain D residue 2279 SER Chi-restraints excluded: chain D residue 2280 VAL Chi-restraints excluded: chain D residue 2292 GLU Chi-restraints excluded: chain D residue 2298 VAL Chi-restraints excluded: chain D residue 2330 ARG Chi-restraints excluded: chain D residue 2334 PHE Chi-restraints excluded: chain D residue 2339 VAL Chi-restraints excluded: chain D residue 2340 PHE Chi-restraints excluded: chain D residue 2346 VAL Chi-restraints excluded: chain D residue 2347 GLU Chi-restraints excluded: chain D residue 2348 GLU Chi-restraints excluded: chain D residue 2349 ASN Chi-restraints excluded: chain D residue 2353 VAL Chi-restraints excluded: chain D residue 2354 VAL Chi-restraints excluded: chain D residue 2357 LEU Chi-restraints excluded: chain D residue 2368 LEU Chi-restraints excluded: chain D residue 2376 LEU Chi-restraints excluded: chain D residue 2377 LEU Chi-restraints excluded: chain D residue 2380 ILE Chi-restraints excluded: chain D residue 2386 ILE Chi-restraints excluded: chain D residue 2418 LEU Chi-restraints excluded: chain D residue 2432 LEU Chi-restraints excluded: chain D residue 2449 GLU Chi-restraints excluded: chain D residue 2451 LEU Chi-restraints excluded: chain D residue 2454 ARG Chi-restraints excluded: chain D residue 2457 LEU Chi-restraints excluded: chain D residue 2460 LEU Chi-restraints excluded: chain D residue 2463 LEU Chi-restraints excluded: chain D residue 2472 LEU Chi-restraints excluded: chain D residue 2741 GLU Chi-restraints excluded: chain D residue 2747 ILE Chi-restraints excluded: chain D residue 2756 ASN Chi-restraints excluded: chain D residue 2760 GLU Chi-restraints excluded: chain D residue 2773 ASN Chi-restraints excluded: chain D residue 2796 THR Chi-restraints excluded: chain D residue 2816 MET Chi-restraints excluded: chain D residue 2821 TRP Chi-restraints excluded: chain D residue 2827 ARG Chi-restraints excluded: chain D residue 2855 TYR Chi-restraints excluded: chain D residue 2856 ASN Chi-restraints excluded: chain D residue 2862 LEU Chi-restraints excluded: chain D residue 2867 LEU Chi-restraints excluded: chain D residue 2868 SER Chi-restraints excluded: chain D residue 2881 ASN Chi-restraints excluded: chain D residue 2888 ARG Chi-restraints excluded: chain D residue 2905 LEU Chi-restraints excluded: chain D residue 2906 VAL Chi-restraints excluded: chain D residue 2910 THR Chi-restraints excluded: chain D residue 2911 LEU Chi-restraints excluded: chain D residue 2929 PHE Chi-restraints excluded: chain D residue 2935 TYR Chi-restraints excluded: chain D residue 2938 THR Chi-restraints excluded: chain D residue 3644 LEU Chi-restraints excluded: chain D residue 3646 THR Chi-restraints excluded: chain D residue 3651 ASN Chi-restraints excluded: chain D residue 3652 MET Chi-restraints excluded: chain D residue 3657 TYR Chi-restraints excluded: chain D residue 3661 TRP Chi-restraints excluded: chain D residue 3663 LEU Chi-restraints excluded: chain D residue 3665 GLU Chi-restraints excluded: chain D residue 3666 ASP Chi-restraints excluded: chain D residue 3669 PHE Chi-restraints excluded: chain D residue 3676 ASP Chi-restraints excluded: chain D residue 3679 LYS Chi-restraints excluded: chain D residue 3697 PRO Chi-restraints excluded: chain D residue 3698 LEU Chi-restraints excluded: chain D residue 3702 VAL Chi-restraints excluded: chain D residue 3708 THR Chi-restraints excluded: chain D residue 3711 THR Chi-restraints excluded: chain D residue 3714 SER Chi-restraints excluded: chain D residue 3717 ASP Chi-restraints excluded: chain D residue 3718 GLU Chi-restraints excluded: chain D residue 3720 TYR Chi-restraints excluded: chain D residue 3725 TYR Chi-restraints excluded: chain D residue 3727 ASP Chi-restraints excluded: chain D residue 3753 PHE Chi-restraints excluded: chain D residue 3759 GLU Chi-restraints excluded: chain D residue 3763 LEU Chi-restraints excluded: chain D residue 3766 GLN Chi-restraints excluded: chain D residue 3773 ARG Chi-restraints excluded: chain D residue 3780 LEU Chi-restraints excluded: chain D residue 3786 CYS Chi-restraints excluded: chain D residue 3787 LYS Chi-restraints excluded: chain D residue 3790 THR Chi-restraints excluded: chain D residue 3796 SER Chi-restraints excluded: chain D residue 3797 THR Chi-restraints excluded: chain D residue 3798 LEU Chi-restraints excluded: chain D residue 3802 ILE Chi-restraints excluded: chain D residue 3811 GLU Chi-restraints excluded: chain D residue 3816 MET Chi-restraints excluded: chain D residue 3817 LEU Chi-restraints excluded: chain D residue 3822 ASP Chi-restraints excluded: chain D residue 3828 PHE Chi-restraints excluded: chain D residue 3836 MET Chi-restraints excluded: chain D residue 3838 THR Chi-restraints excluded: chain D residue 3843 ASP Chi-restraints excluded: chain D residue 3844 LEU Chi-restraints excluded: chain D residue 3847 PHE Chi-restraints excluded: chain D residue 3881 THR Chi-restraints excluded: chain D residue 3882 GLN Chi-restraints excluded: chain D residue 3883 ASP Chi-restraints excluded: chain D residue 3890 LEU Chi-restraints excluded: chain D residue 3891 LEU Chi-restraints excluded: chain D residue 3895 HIS Chi-restraints excluded: chain D residue 3900 GLN Chi-restraints excluded: chain D residue 3902 TYR Chi-restraints excluded: chain D residue 3907 THR Chi-restraints excluded: chain D residue 3909 ASN Chi-restraints excluded: chain D residue 3913 ILE Chi-restraints excluded: chain D residue 3915 ILE Chi-restraints excluded: chain D residue 3916 ILE Chi-restraints excluded: chain D residue 3917 ILE Chi-restraints excluded: chain D residue 3920 VAL Chi-restraints excluded: chain D residue 3924 LEU Chi-restraints excluded: chain D residue 3927 GLN Chi-restraints excluded: chain D residue 3928 GLU Chi-restraints excluded: chain D residue 3929 SER Chi-restraints excluded: chain D residue 3931 SER Chi-restraints excluded: chain D residue 3932 ASP Chi-restraints excluded: chain D residue 3937 TYR Chi-restraints excluded: chain D residue 3944 GLU Chi-restraints excluded: chain D residue 3946 GLN Chi-restraints excluded: chain D residue 3948 LYS Chi-restraints excluded: chain D residue 3953 LYS Chi-restraints excluded: chain D residue 3957 VAL Chi-restraints excluded: chain D residue 3959 LYS Chi-restraints excluded: chain D residue 3964 SER Chi-restraints excluded: chain D residue 3970 GLN Chi-restraints excluded: chain D residue 3974 THR Chi-restraints excluded: chain D residue 3979 SER Chi-restraints excluded: chain D residue 3982 HIS Chi-restraints excluded: chain D residue 3985 LEU Chi-restraints excluded: chain D residue 3987 ASP Chi-restraints excluded: chain D residue 3990 VAL Chi-restraints excluded: chain D residue 3996 PHE Chi-restraints excluded: chain D residue 4011 GLU Chi-restraints excluded: chain D residue 4014 LYS Chi-restraints excluded: chain D residue 4020 GLN Chi-restraints excluded: chain D residue 4022 ASP Chi-restraints excluded: chain D residue 4023 MET Chi-restraints excluded: chain D residue 4025 VAL Chi-restraints excluded: chain D residue 4044 MET Chi-restraints excluded: chain D residue 4045 VAL Chi-restraints excluded: chain D residue 4046 ASP Chi-restraints excluded: chain D residue 4049 VAL Chi-restraints excluded: chain D residue 4055 VAL Chi-restraints excluded: chain D residue 4058 ILE Chi-restraints excluded: chain D residue 4059 LEU Chi-restraints excluded: chain D residue 4063 ASP Chi-restraints excluded: chain D residue 4066 LEU Chi-restraints excluded: chain D residue 4068 LEU Chi-restraints excluded: chain D residue 4071 ILE Chi-restraints excluded: chain D residue 4090 LYS Chi-restraints excluded: chain D residue 4095 LYS Chi-restraints excluded: chain D residue 4102 GLN Chi-restraints excluded: chain D residue 4109 GLN Chi-restraints excluded: chain D residue 4121 GLU Chi-restraints excluded: chain D residue 4128 PHE Chi-restraints excluded: chain D residue 4134 GLU Chi-restraints excluded: chain D residue 4139 ILE Chi-restraints excluded: chain D residue 4142 ASN Chi-restraints excluded: chain D residue 4143 VAL Chi-restraints excluded: chain D residue 4145 VAL Chi-restraints excluded: chain D residue 4150 LEU Chi-restraints excluded: chain D residue 4157 ASP Chi-restraints excluded: chain D residue 4159 ARG Chi-restraints excluded: chain D residue 4160 LEU Chi-restraints excluded: chain D residue 4162 ASN Chi-restraints excluded: chain D residue 4164 LEU Chi-restraints excluded: chain D residue 4166 LEU Chi-restraints excluded: chain D residue 4171 LEU Chi-restraints excluded: chain D residue 4178 LEU Chi-restraints excluded: chain D residue 4180 ARG Chi-restraints excluded: chain D residue 4181 ILE Chi-restraints excluded: chain D residue 4190 ILE Chi-restraints excluded: chain D residue 4192 ARG Chi-restraints excluded: chain D residue 4195 PHE Chi-restraints excluded: chain D residue 4200 THR Chi-restraints excluded: chain D residue 4205 TRP Chi-restraints excluded: chain D residue 4206 GLU Chi-restraints excluded: chain D residue 4212 GLU Chi-restraints excluded: chain D residue 4237 PHE Chi-restraints excluded: chain D residue 4238 CYS Chi-restraints excluded: chain D residue 4244 GLU Chi-restraints excluded: chain D residue 4250 GLN Chi-restraints excluded: chain D residue 4251 ILE Chi-restraints excluded: chain D residue 4252 SER Chi-restraints excluded: chain D residue 4546 VAL Chi-restraints excluded: chain D residue 4547 GLN Chi-restraints excluded: chain D residue 4549 VAL Chi-restraints excluded: chain D residue 4558 ASN Chi-restraints excluded: chain D residue 4559 PHE Chi-restraints excluded: chain D residue 4565 LEU Chi-restraints excluded: chain D residue 4573 ILE Chi-restraints excluded: chain D residue 4582 VAL Chi-restraints excluded: chain D residue 4630 TYR Chi-restraints excluded: chain D residue 4631 PHE Chi-restraints excluded: chain D residue 4632 LEU Chi-restraints excluded: chain D residue 4633 GLU Chi-restraints excluded: chain D residue 4635 SER Chi-restraints excluded: chain D residue 4638 TYR Chi-restraints excluded: chain D residue 4646 LEU Chi-restraints excluded: chain D residue 4648 LEU Chi-restraints excluded: chain D residue 4649 LEU Chi-restraints excluded: chain D residue 4652 LEU Chi-restraints excluded: chain D residue 4653 VAL Chi-restraints excluded: chain D residue 4656 LEU Chi-restraints excluded: chain D residue 4657 CYS Chi-restraints excluded: chain D residue 4663 CYS Chi-restraints excluded: chain D residue 4666 VAL Chi-restraints excluded: chain D residue 4668 LEU Chi-restraints excluded: chain D residue 4671 PHE Chi-restraints excluded: chain D residue 4674 GLU Chi-restraints excluded: chain D residue 4676 GLU Chi-restraints excluded: chain D residue 4677 LEU Chi-restraints excluded: chain D residue 4682 GLU Chi-restraints excluded: chain D residue 4684 ASP Chi-restraints excluded: chain D residue 4686 LEU Chi-restraints excluded: chain D residue 4688 ILE Chi-restraints excluded: chain D residue 4701 TRP Chi-restraints excluded: chain D residue 4710 SER Chi-restraints excluded: chain D residue 4723 LYS Chi-restraints excluded: chain D residue 4727 LYS Chi-restraints excluded: chain D residue 4731 ILE Chi-restraints excluded: chain D residue 4739 GLU Chi-restraints excluded: chain D residue 4743 MET Chi-restraints excluded: chain D residue 4747 SER Chi-restraints excluded: chain D residue 4770 SER Chi-restraints excluded: chain D residue 4771 ILE Chi-restraints excluded: chain D residue 4774 LYS Chi-restraints excluded: chain D residue 4780 PHE Chi-restraints excluded: chain D residue 4782 VAL Chi-restraints excluded: chain D residue 4783 ILE Chi-restraints excluded: chain D residue 4786 ASP Chi-restraints excluded: chain D residue 4791 TYR Chi-restraints excluded: chain D residue 4794 TRP Chi-restraints excluded: chain D residue 4797 VAL Chi-restraints excluded: chain D residue 4798 MET Chi-restraints excluded: chain D residue 4800 LEU Chi-restraints excluded: chain D residue 4807 PHE Chi-restraints excluded: chain D residue 4814 LEU Chi-restraints excluded: chain D residue 4816 ILE Chi-restraints excluded: chain D residue 4818 MET Chi-restraints excluded: chain D residue 4822 THR Chi-restraints excluded: chain D residue 4827 LEU Chi-restraints excluded: chain D residue 4830 VAL Chi-restraints excluded: chain D residue 4836 GLN Chi-restraints excluded: chain D residue 4838 VAL Chi-restraints excluded: chain D residue 4849 TYR Chi-restraints excluded: chain D residue 4852 THR Chi-restraints excluded: chain D residue 4854 VAL Chi-restraints excluded: chain D residue 4864 ASN Chi-restraints excluded: chain D residue 4867 GLU Chi-restraints excluded: chain D residue 4877 ASP Chi-restraints excluded: chain D residue 4901 ILE Chi-restraints excluded: chain D residue 4904 PRO Chi-restraints excluded: chain D residue 4913 ARG Chi-restraints excluded: chain D residue 4915 VAL Chi-restraints excluded: chain D residue 4918 ILE Chi-restraints excluded: chain D residue 4919 THR Chi-restraints excluded: chain D residue 4920 PHE Chi-restraints excluded: chain D residue 4921 PHE Chi-restraints excluded: chain D residue 4936 ILE Chi-restraints excluded: chain D residue 4945 ASP Chi-restraints excluded: chain D residue 4950 VAL Chi-restraints excluded: chain D residue 4954 MET Chi-restraints excluded: chain D residue 4959 PHE Chi-restraints excluded: chain D residue 4960 ILE Chi-restraints excluded: chain D residue 4963 ILE Chi-restraints excluded: chain D residue 4966 ASP Chi-restraints excluded: chain D residue 4977 THR Chi-restraints excluded: chain D residue 4983 HIS Chi-restraints excluded: chain D residue 4985 LEU Chi-restraints excluded: chain D residue 4990 PHE Chi-restraints excluded: chain D residue 4994 TYR Chi-restraints excluded: chain D residue 4996 ILE Chi-restraints excluded: chain D residue 5008 SER Chi-restraints excluded: chain D residue 5010 VAL Chi-restraints excluded: chain D residue 5013 MET Chi-restraints excluded: chain D residue 5014 TYR Chi-restraints excluded: chain D residue 5020 ASP Chi-restraints excluded: chain D residue 5027 CYS Rotamers are restrained with sigma=1.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 0 random chunks: chunk None optimal weight: 10.0000 overall best weight: 50.0000 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** A 57 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 218 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 308 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 350 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 379 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 394 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 460 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 461 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 479 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 582 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 610 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 618 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 705 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 725 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 735 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 772 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 949 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1158 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1165 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1683 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1760 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1837 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2161 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2184 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2253 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2744 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2877 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3643 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3809 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3927 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3977 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4034 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4100 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4102 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4650 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4700 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4973 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 23 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 57 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 218 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 308 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 379 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 394 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 461 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 479 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 610 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 618 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 705 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 725 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 735 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 772 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 949 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B1041 GLN ** B1158 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1165 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1683 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1760 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1837 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2161 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2184 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2196 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2253 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2268 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2744 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2872 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2877 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3643 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3809 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3927 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3970 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3977 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4034 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4054 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4100 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4102 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4209 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4650 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4700 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B4886 HIS ** B4973 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4987 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 57 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 218 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 308 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 379 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 394 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 460 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 461 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 479 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 582 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 610 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 618 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 705 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 725 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 735 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 772 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 949 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C1041 GLN ** C1158 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1165 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1683 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1760 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1837 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2161 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2184 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2253 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2744 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2877 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3643 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3809 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3927 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3976 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3977 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4034 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4054 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4100 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4102 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4650 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4700 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C4886 HIS ** C4973 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4987 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 57 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 218 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 308 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 379 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 394 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 461 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 479 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 582 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 610 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 618 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 705 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 725 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 735 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 772 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 949 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D1041 GLN ** D1158 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1165 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1683 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1760 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1837 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2161 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2184 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2253 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2744 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2763 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2872 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2877 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3643 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3809 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3927 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3970 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3977 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4034 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4054 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4100 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4102 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4650 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4700 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D4886 HIS ** D4973 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 6 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8301 moved from start: 1.6101 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.029 0.281 119724 Z= 1.894 Angle : 2.552 33.223 163324 Z= 1.304 Chirality : 0.102 0.799 19116 Planarity : 0.018 0.248 21488 Dihedral : 14.761 141.870 17724 Min Nonbonded Distance : 1.674 Molprobity Statistics. All-atom Clashscore : 154.24 Ramachandran Plot: Outliers : 1.58 % Allowed : 43.83 % Favored : 54.60 % Rotamer: Outliers : 28.98 % Allowed : 28.42 % Favored : 42.60 % Cbeta Deviations : 0.25 % Peptide Plane: Cis-proline : 0.64 % Cis-general : 0.00 % Twisted Proline : 10.35 % Twisted General : 4.96 % 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: -7.21 (0.05), residues: 12924 helix: -4.71 (0.04), residues: 5116 sheet: -4.04 (0.18), residues: 592 loop : -5.14 (0.05), residues: 7216 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.096 0.009 TRP A1132 HIS 0.039 0.008 HIS B2194 PHE 0.082 0.009 PHE B2340 TYR 0.083 0.009 TYR B4849 ARG 0.047 0.003 ARG B1661 *********************** REFINEMENT MACRO_CYCLE 9 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 25848 Ramachandran restraints generated. 12924 Oldfield, 0 Emsley, 12924 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 25848 Ramachandran restraints generated. 12924 Oldfield, 0 Emsley, 12924 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3359 residues out of total 11344 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2889 poor density : 470 time to evaluate : 8.991 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 12 GLN cc_start: 0.7897 (OUTLIER) cc_final: 0.7442 (mm110) REVERT: A 15 ARG cc_start: 0.8119 (OUTLIER) cc_final: 0.7620 (mtm-85) REVERT: A 67 PHE cc_start: 0.9247 (OUTLIER) cc_final: 0.8824 (m-10) REVERT: A 121 LEU cc_start: 0.8622 (OUTLIER) cc_final: 0.7967 (mm) REVERT: A 152 PRO cc_start: 0.9490 (OUTLIER) cc_final: 0.9211 (Cg_exo) REVERT: A 189 LEU cc_start: 0.9403 (OUTLIER) cc_final: 0.8971 (mt) REVERT: A 247 TYR cc_start: 0.8870 (OUTLIER) cc_final: 0.8378 (m-80) REVERT: A 263 GLU cc_start: 0.8967 (OUTLIER) cc_final: 0.8662 (pt0) REVERT: A 283 ARG cc_start: 0.9128 (OUTLIER) cc_final: 0.8659 (ttt-90) REVERT: A 396 GLU cc_start: 0.9264 (OUTLIER) cc_final: 0.8653 (pp20) REVERT: A 411 TYR cc_start: 0.9236 (OUTLIER) cc_final: 0.8934 (m-80) REVERT: A 475 GLN cc_start: 0.9232 (OUTLIER) cc_final: 0.8986 (pm20) REVERT: A 497 TYR cc_start: 0.9108 (OUTLIER) cc_final: 0.8265 (m-80) REVERT: A 580 GLU cc_start: 0.9100 (OUTLIER) cc_final: 0.8748 (tm-30) REVERT: A 597 HIS cc_start: 0.8156 (OUTLIER) cc_final: 0.7832 (t-90) REVERT: A 625 LEU cc_start: 0.8733 (OUTLIER) cc_final: 0.8427 (tt) REVERT: A 663 TYR cc_start: 0.7310 (OUTLIER) cc_final: 0.6413 (t80) REVERT: A 690 GLU cc_start: 0.4585 (OUTLIER) cc_final: 0.4322 (mp0) REVERT: A 714 TYR cc_start: 0.8144 (OUTLIER) cc_final: 0.7364 (m-80) REVERT: A 725 HIS cc_start: 0.9201 (OUTLIER) cc_final: 0.8960 (m-70) REVERT: A 1076 ARG cc_start: 0.9198 (OUTLIER) cc_final: 0.7955 (ptt90) REVERT: A 1093 GLU cc_start: 0.8523 (OUTLIER) cc_final: 0.7963 (tm-30) REVERT: A 1095 VAL cc_start: 0.8561 (OUTLIER) cc_final: 0.8148 (m) REVERT: A 1100 MET cc_start: 0.8219 (pmm) cc_final: 0.7967 (pmm) REVERT: A 1254 HIS cc_start: 0.8788 (OUTLIER) cc_final: 0.8295 (m-70) REVERT: A 1260 MET cc_start: 0.8314 (ppp) cc_final: 0.7610 (ppp) REVERT: A 1590 GLN cc_start: 0.9200 (OUTLIER) cc_final: 0.8286 (tp40) REVERT: A 1605 TRP cc_start: 0.8902 (OUTLIER) cc_final: 0.8208 (m-10) REVERT: A 1648 MET cc_start: 0.9240 (OUTLIER) cc_final: 0.8473 (ttm) REVERT: A 1652 GLU cc_start: 0.9145 (OUTLIER) cc_final: 0.8180 (pp20) REVERT: A 1663 HIS cc_start: 0.9033 (OUTLIER) cc_final: 0.8626 (t70) REVERT: A 1721 GLU cc_start: 0.8914 (OUTLIER) cc_final: 0.8439 (tm-30) REVERT: A 1760 HIS cc_start: 0.6552 (OUTLIER) cc_final: 0.6292 (m170) REVERT: A 1772 ARG cc_start: 0.8707 (OUTLIER) cc_final: 0.8035 (mmt180) REVERT: A 1813 ARG cc_start: 0.9093 (OUTLIER) cc_final: 0.8670 (ptm-80) REVERT: A 1928 GLN cc_start: 0.9448 (OUTLIER) cc_final: 0.8900 (mp10) REVERT: A 1929 MET cc_start: 0.8414 (mpt) cc_final: 0.7837 (mpt) REVERT: A 1997 GLU cc_start: 0.8343 (OUTLIER) cc_final: 0.7829 (mp0) REVERT: A 2104 ARG cc_start: 0.9304 (OUTLIER) cc_final: 0.8951 (ptt-90) REVERT: A 2118 ARG cc_start: 0.9227 (OUTLIER) cc_final: 0.8803 (ttp80) REVERT: A 2120 MET cc_start: 0.8949 (OUTLIER) cc_final: 0.8659 (ppp) REVERT: A 2228 MET cc_start: 0.9029 (OUTLIER) cc_final: 0.8760 (mmm) REVERT: A 2330 ARG cc_start: 0.8260 (OUTLIER) cc_final: 0.7855 (ttt180) REVERT: A 2472 LEU cc_start: 0.8563 (OUTLIER) cc_final: 0.8123 (mt) REVERT: A 2790 MET cc_start: 0.0352 (tmm) cc_final: -0.0019 (tpt) REVERT: A 2827 ARG cc_start: 0.7800 (OUTLIER) cc_final: 0.6877 (mtt90) REVERT: A 2935 TYR cc_start: 0.6135 (OUTLIER) cc_final: 0.5419 (m-80) REVERT: A 3669 PHE cc_start: 0.8487 (OUTLIER) cc_final: 0.8270 (p90) REVERT: A 3697 PRO cc_start: 0.9325 (OUTLIER) cc_final: 0.9023 (Cg_endo) REVERT: A 3718 GLU cc_start: 0.9460 (OUTLIER) cc_final: 0.9083 (mm-30) REVERT: A 3725 TYR cc_start: 0.9531 (OUTLIER) cc_final: 0.8884 (t80) REVERT: A 3753 PHE cc_start: 0.8477 (OUTLIER) cc_final: 0.7959 (t80) REVERT: A 3778 MET cc_start: 0.9547 (ppp) cc_final: 0.9216 (ppp) REVERT: A 3836 MET cc_start: 0.9232 (OUTLIER) cc_final: 0.8691 (ppp) REVERT: A 3842 LEU cc_start: 0.7505 (OUTLIER) cc_final: 0.7004 (pt) REVERT: A 3875 MET cc_start: 0.8662 (tpt) cc_final: 0.8189 (tpt) REVERT: A 3890 LEU cc_start: 0.9274 (OUTLIER) cc_final: 0.9069 (tp) REVERT: A 3937 TYR cc_start: 0.8253 (OUTLIER) cc_final: 0.7989 (m-10) REVERT: A 3986 TRP cc_start: 0.9150 (OUTLIER) cc_final: 0.8649 (m100) REVERT: A 4088 ILE cc_start: 0.7159 (OUTLIER) cc_final: 0.6952 (tt) REVERT: A 4205 TRP cc_start: 0.8950 (OUTLIER) cc_final: 0.8649 (t-100) REVERT: A 4212 GLU cc_start: 0.9396 (OUTLIER) cc_final: 0.8963 (pp20) REVERT: A 4563 ARG cc_start: 0.8562 (OUTLIER) cc_final: 0.8145 (tpp80) REVERT: A 4639 MET cc_start: 0.1107 (ptt) cc_final: 0.0350 (mtt) REVERT: A 4674 GLU cc_start: 0.9541 (OUTLIER) cc_final: 0.9235 (tp30) REVERT: A 4780 PHE cc_start: 0.9323 (OUTLIER) cc_final: 0.8909 (m-80) REVERT: A 4807 PHE cc_start: 0.7043 (OUTLIER) cc_final: 0.6339 (p90) REVERT: A 4886 HIS cc_start: 0.9222 (OUTLIER) cc_final: 0.8254 (m90) REVERT: A 4901 ILE cc_start: 0.6664 (OUTLIER) cc_final: 0.6327 (tp) REVERT: A 4913 ARG cc_start: 0.8047 (OUTLIER) cc_final: 0.7753 (ttm170) REVERT: A 4922 PHE cc_start: 0.9098 (OUTLIER) cc_final: 0.8221 (t80) REVERT: A 5014 TYR cc_start: 0.9497 (OUTLIER) cc_final: 0.9235 (t80) REVERT: B 12 GLN cc_start: 0.8033 (OUTLIER) cc_final: 0.7486 (mm110) REVERT: B 15 ARG cc_start: 0.8343 (OUTLIER) cc_final: 0.7692 (mtm-85) REVERT: B 67 PHE cc_start: 0.9228 (OUTLIER) cc_final: 0.8794 (m-10) REVERT: B 121 LEU cc_start: 0.8605 (OUTLIER) cc_final: 0.7943 (mm) REVERT: B 152 PRO cc_start: 0.9466 (OUTLIER) cc_final: 0.9222 (Cg_exo) REVERT: B 189 LEU cc_start: 0.9386 (OUTLIER) cc_final: 0.8945 (mt) REVERT: B 247 TYR cc_start: 0.8832 (OUTLIER) cc_final: 0.8358 (m-80) REVERT: B 275 ARG cc_start: 0.8439 (OUTLIER) cc_final: 0.8207 (mtm180) REVERT: B 283 ARG cc_start: 0.9187 (OUTLIER) cc_final: 0.8776 (ttt-90) REVERT: B 411 TYR cc_start: 0.9252 (OUTLIER) cc_final: 0.8937 (m-80) REVERT: B 475 GLN cc_start: 0.9300 (OUTLIER) cc_final: 0.8969 (pm20) REVERT: B 497 TYR cc_start: 0.9139 (OUTLIER) cc_final: 0.8298 (m-80) REVERT: B 580 GLU cc_start: 0.9094 (OUTLIER) cc_final: 0.8741 (tm-30) REVERT: B 597 HIS cc_start: 0.8103 (OUTLIER) cc_final: 0.7760 (t-90) REVERT: B 625 LEU cc_start: 0.8741 (OUTLIER) cc_final: 0.8438 (tt) REVERT: B 663 TYR cc_start: 0.7314 (OUTLIER) cc_final: 0.6369 (t80) REVERT: B 690 GLU cc_start: 0.4593 (OUTLIER) cc_final: 0.4328 (mp0) REVERT: B 714 TYR cc_start: 0.8123 (OUTLIER) cc_final: 0.7349 (m-80) REVERT: B 735 GLN cc_start: 0.8369 (OUTLIER) cc_final: 0.7643 (tp40) REVERT: B 1093 GLU cc_start: 0.8529 (OUTLIER) cc_final: 0.7963 (tm-30) REVERT: B 1095 VAL cc_start: 0.8562 (OUTLIER) cc_final: 0.8146 (m) REVERT: B 1100 MET cc_start: 0.8213 (pmm) cc_final: 0.7962 (pmm) REVERT: B 1254 HIS cc_start: 0.8789 (OUTLIER) cc_final: 0.8296 (m-70) REVERT: B 1260 MET cc_start: 0.8322 (ppp) cc_final: 0.7616 (ppp) REVERT: B 1590 GLN cc_start: 0.9194 (OUTLIER) cc_final: 0.8267 (tp40) REVERT: B 1595 LEU cc_start: 0.9346 (OUTLIER) cc_final: 0.9114 (mp) REVERT: B 1605 TRP cc_start: 0.8848 (OUTLIER) cc_final: 0.8574 (m-10) REVERT: B 1648 MET cc_start: 0.9236 (OUTLIER) cc_final: 0.8467 (ttm) REVERT: B 1652 GLU cc_start: 0.9151 (OUTLIER) cc_final: 0.8179 (pp20) REVERT: B 1721 GLU cc_start: 0.8886 (OUTLIER) cc_final: 0.8393 (tm-30) REVERT: B 1760 HIS cc_start: 0.6671 (OUTLIER) cc_final: 0.6418 (m170) REVERT: B 1772 ARG cc_start: 0.8710 (OUTLIER) cc_final: 0.8045 (mmt180) REVERT: B 1810 LYS cc_start: 0.9509 (OUTLIER) cc_final: 0.9288 (tptm) REVERT: B 1813 ARG cc_start: 0.9083 (OUTLIER) cc_final: 0.8662 (ptm-80) REVERT: B 1861 GLN cc_start: 0.8976 (OUTLIER) cc_final: 0.8770 (tm-30) REVERT: B 1928 GLN cc_start: 0.9451 (OUTLIER) cc_final: 0.8907 (mp10) REVERT: B 1929 MET cc_start: 0.8475 (mpt) cc_final: 0.7870 (mpt) REVERT: B 1997 GLU cc_start: 0.8340 (OUTLIER) cc_final: 0.7834 (mp0) REVERT: B 2104 ARG cc_start: 0.9293 (OUTLIER) cc_final: 0.8906 (ptt-90) REVERT: B 2118 ARG cc_start: 0.9227 (OUTLIER) cc_final: 0.8813 (ttp80) REVERT: B 2120 MET cc_start: 0.8918 (OUTLIER) cc_final: 0.8578 (ppp) REVERT: B 2330 ARG cc_start: 0.8265 (OUTLIER) cc_final: 0.7821 (ttt180) REVERT: B 2472 LEU cc_start: 0.8565 (OUTLIER) cc_final: 0.8119 (mt) REVERT: B 2790 MET cc_start: 0.0602 (tmm) cc_final: 0.0298 (tpt) REVERT: B 2827 ARG cc_start: 0.7918 (OUTLIER) cc_final: 0.7151 (mtt90) REVERT: B 2935 TYR cc_start: 0.6166 (OUTLIER) cc_final: 0.5529 (m-80) REVERT: B 3697 PRO cc_start: 0.9335 (OUTLIER) cc_final: 0.9041 (Cg_endo) REVERT: B 3718 GLU cc_start: 0.9441 (OUTLIER) cc_final: 0.9020 (mm-30) REVERT: B 3753 PHE cc_start: 0.8933 (OUTLIER) cc_final: 0.8597 (t80) REVERT: B 3778 MET cc_start: 0.9538 (ppp) cc_final: 0.9249 (ppp) REVERT: B 3836 MET cc_start: 0.9231 (OUTLIER) cc_final: 0.8685 (ppp) REVERT: B 3875 MET cc_start: 0.8721 (tpt) cc_final: 0.8221 (tpt) REVERT: B 3890 LEU cc_start: 0.9280 (OUTLIER) cc_final: 0.9060 (tp) REVERT: B 3937 TYR cc_start: 0.8283 (OUTLIER) cc_final: 0.8034 (m-80) REVERT: B 3986 TRP cc_start: 0.9160 (OUTLIER) cc_final: 0.8590 (m100) REVERT: B 4195 PHE cc_start: 0.9244 (OUTLIER) cc_final: 0.8285 (p90) REVERT: B 4205 TRP cc_start: 0.8967 (OUTLIER) cc_final: 0.8668 (t-100) REVERT: B 4212 GLU cc_start: 0.9394 (OUTLIER) cc_final: 0.9059 (pp20) REVERT: B 4563 ARG cc_start: 0.8553 (OUTLIER) cc_final: 0.8151 (tpp80) REVERT: B 4630 TYR cc_start: 0.9150 (OUTLIER) cc_final: 0.8769 (t80) REVERT: B 4639 MET cc_start: 0.1080 (ptt) cc_final: 0.0387 (mtt) REVERT: B 4674 GLU cc_start: 0.9505 (OUTLIER) cc_final: 0.9227 (tp30) REVERT: B 4780 PHE cc_start: 0.9318 (OUTLIER) cc_final: 0.8908 (m-80) REVERT: B 4807 PHE cc_start: 0.7049 (OUTLIER) cc_final: 0.6345 (p90) REVERT: B 4886 HIS cc_start: 0.9155 (OUTLIER) cc_final: 0.8477 (m90) REVERT: B 4901 ILE cc_start: 0.6661 (OUTLIER) cc_final: 0.6334 (tp) REVERT: B 4913 ARG cc_start: 0.8040 (OUTLIER) cc_final: 0.7744 (ttm170) REVERT: B 4991 PHE cc_start: 0.9585 (OUTLIER) cc_final: 0.8882 (t80) REVERT: B 5014 TYR cc_start: 0.9407 (OUTLIER) cc_final: 0.9155 (t80) REVERT: C 15 ARG cc_start: 0.8526 (OUTLIER) cc_final: 0.8005 (mtm-85) REVERT: C 67 PHE cc_start: 0.9233 (OUTLIER) cc_final: 0.8805 (m-10) REVERT: C 121 LEU cc_start: 0.8628 (OUTLIER) cc_final: 0.7972 (mm) REVERT: C 152 PRO cc_start: 0.9486 (OUTLIER) cc_final: 0.9214 (Cg_exo) REVERT: C 189 LEU cc_start: 0.9352 (OUTLIER) cc_final: 0.8919 (mt) REVERT: C 247 TYR cc_start: 0.8843 (OUTLIER) cc_final: 0.8359 (m-80) REVERT: C 275 ARG cc_start: 0.8466 (OUTLIER) cc_final: 0.8065 (mtm180) REVERT: C 283 ARG cc_start: 0.9189 (OUTLIER) cc_final: 0.8756 (ttt-90) REVERT: C 396 GLU cc_start: 0.9282 (OUTLIER) cc_final: 0.8680 (pp20) REVERT: C 411 TYR cc_start: 0.9229 (OUTLIER) cc_final: 0.8860 (m-80) REVERT: C 475 GLN cc_start: 0.9235 (OUTLIER) cc_final: 0.8989 (pm20) REVERT: C 497 TYR cc_start: 0.9120 (OUTLIER) cc_final: 0.8303 (m-80) REVERT: C 580 GLU cc_start: 0.9094 (OUTLIER) cc_final: 0.8744 (tm-30) REVERT: C 597 HIS cc_start: 0.8118 (m-70) cc_final: 0.7909 (t-90) REVERT: C 625 LEU cc_start: 0.8742 (OUTLIER) cc_final: 0.8441 (tt) REVERT: C 663 TYR cc_start: 0.7309 (OUTLIER) cc_final: 0.6417 (t80) REVERT: C 690 GLU cc_start: 0.4595 (OUTLIER) cc_final: 0.4325 (mp0) REVERT: C 714 TYR cc_start: 0.8157 (OUTLIER) cc_final: 0.7396 (m-80) REVERT: C 735 GLN cc_start: 0.8456 (OUTLIER) cc_final: 0.7853 (tp40) REVERT: C 1100 MET cc_start: 0.8217 (pmm) cc_final: 0.7962 (pmm) REVERT: C 1254 HIS cc_start: 0.8783 (OUTLIER) cc_final: 0.8298 (m-70) REVERT: C 1260 MET cc_start: 0.8347 (ppp) cc_final: 0.7652 (ppp) REVERT: C 1590 GLN cc_start: 0.9027 (OUTLIER) cc_final: 0.8239 (mm-40) REVERT: C 1605 TRP cc_start: 0.8843 (OUTLIER) cc_final: 0.8540 (m-10) REVERT: C 1648 MET cc_start: 0.9237 (OUTLIER) cc_final: 0.8465 (ttm) REVERT: C 1652 GLU cc_start: 0.9154 (OUTLIER) cc_final: 0.8179 (pp20) REVERT: C 1721 GLU cc_start: 0.8828 (OUTLIER) cc_final: 0.8302 (tm-30) REVERT: C 1760 HIS cc_start: 0.6626 (OUTLIER) cc_final: 0.6319 (m170) REVERT: C 1772 ARG cc_start: 0.8696 (OUTLIER) cc_final: 0.8074 (mmt180) REVERT: C 1810 LYS cc_start: 0.9531 (OUTLIER) cc_final: 0.9276 (tptm) REVERT: C 1813 ARG cc_start: 0.9093 (OUTLIER) cc_final: 0.8648 (ptm-80) REVERT: C 1861 GLN cc_start: 0.8977 (OUTLIER) cc_final: 0.8746 (tm-30) REVERT: C 1928 GLN cc_start: 0.9454 (OUTLIER) cc_final: 0.8907 (mp10) REVERT: C 1929 MET cc_start: 0.8411 (mpt) cc_final: 0.7833 (mpt) REVERT: C 1997 GLU cc_start: 0.8346 (OUTLIER) cc_final: 0.7838 (mp0) REVERT: C 2104 ARG cc_start: 0.9301 (OUTLIER) cc_final: 0.8916 (ptt-90) REVERT: C 2118 ARG cc_start: 0.9229 (OUTLIER) cc_final: 0.8805 (ttp80) REVERT: C 2120 MET cc_start: 0.8943 (OUTLIER) cc_final: 0.8619 (ppp) REVERT: C 2228 MET cc_start: 0.9033 (OUTLIER) cc_final: 0.8749 (mmm) REVERT: C 2330 ARG cc_start: 0.8256 (OUTLIER) cc_final: 0.7774 (ttt180) REVERT: C 2472 LEU cc_start: 0.8561 (OUTLIER) cc_final: 0.8333 (mt) REVERT: C 2790 MET cc_start: 0.0601 (tmm) cc_final: 0.0296 (tpt) REVERT: C 2827 ARG cc_start: 0.7866 (OUTLIER) cc_final: 0.7044 (mtt90) REVERT: C 2935 TYR cc_start: 0.6156 (OUTLIER) cc_final: 0.5445 (m-80) REVERT: C 3669 PHE cc_start: 0.8480 (OUTLIER) cc_final: 0.8264 (p90) REVERT: C 3697 PRO cc_start: 0.9324 (OUTLIER) cc_final: 0.9021 (Cg_endo) REVERT: C 3725 TYR cc_start: 0.9536 (OUTLIER) cc_final: 0.8945 (t80) REVERT: C 3753 PHE cc_start: 0.8490 (OUTLIER) cc_final: 0.7955 (t80) REVERT: C 3778 MET cc_start: 0.9547 (ppp) cc_final: 0.9220 (ppp) REVERT: C 3836 MET cc_start: 0.9231 (OUTLIER) cc_final: 0.8687 (ppp) REVERT: C 3842 LEU cc_start: 0.7542 (OUTLIER) cc_final: 0.7046 (pt) REVERT: C 3875 MET cc_start: 0.8661 (tpt) cc_final: 0.8251 (tpt) REVERT: C 3937 TYR cc_start: 0.8260 (OUTLIER) cc_final: 0.7993 (m-10) REVERT: C 3986 TRP cc_start: 0.9155 (OUTLIER) cc_final: 0.8578 (m100) REVERT: C 4088 ILE cc_start: 0.7139 (OUTLIER) cc_final: 0.6934 (tt) REVERT: C 4180 ARG cc_start: 0.6801 (OUTLIER) cc_final: 0.6551 (mtp-110) REVERT: C 4195 PHE cc_start: 0.9173 (OUTLIER) cc_final: 0.8161 (p90) REVERT: C 4205 TRP cc_start: 0.8937 (OUTLIER) cc_final: 0.8601 (t-100) REVERT: C 4212 GLU cc_start: 0.9393 (OUTLIER) cc_final: 0.8965 (pp20) REVERT: C 4563 ARG cc_start: 0.8566 (OUTLIER) cc_final: 0.8150 (tpp80) REVERT: C 4639 MET cc_start: 0.1077 (ptt) cc_final: 0.0282 (mtt) REVERT: C 4674 GLU cc_start: 0.9535 (OUTLIER) cc_final: 0.9231 (tp30) REVERT: C 4780 PHE cc_start: 0.9329 (OUTLIER) cc_final: 0.8927 (m-80) REVERT: C 4807 PHE cc_start: 0.7039 (OUTLIER) cc_final: 0.6334 (p90) REVERT: C 4849 TYR cc_start: 0.8897 (OUTLIER) cc_final: 0.8288 (t80) REVERT: C 4886 HIS cc_start: 0.9151 (OUTLIER) cc_final: 0.8472 (m90) REVERT: C 4901 ILE cc_start: 0.6612 (OUTLIER) cc_final: 0.6276 (tp) REVERT: C 4913 ARG cc_start: 0.8041 (OUTLIER) cc_final: 0.7747 (ttm170) REVERT: C 4922 PHE cc_start: 0.9103 (OUTLIER) cc_final: 0.8229 (t80) REVERT: C 4991 PHE cc_start: 0.9588 (OUTLIER) cc_final: 0.8848 (t80) REVERT: C 5014 TYR cc_start: 0.9496 (OUTLIER) cc_final: 0.9233 (t80) REVERT: D 12 GLN cc_start: 0.7830 (OUTLIER) cc_final: 0.7319 (mm110) REVERT: D 15 ARG cc_start: 0.8121 (OUTLIER) cc_final: 0.7616 (mtm-85) REVERT: D 67 PHE cc_start: 0.9232 (OUTLIER) cc_final: 0.8805 (m-10) REVERT: D 121 LEU cc_start: 0.8605 (OUTLIER) cc_final: 0.7934 (mm) REVERT: D 152 PRO cc_start: 0.9482 (OUTLIER) cc_final: 0.9201 (Cg_exo) REVERT: D 189 LEU cc_start: 0.9384 (OUTLIER) cc_final: 0.8944 (mt) REVERT: D 247 TYR cc_start: 0.8856 (OUTLIER) cc_final: 0.8361 (m-80) REVERT: D 275 ARG cc_start: 0.8461 (OUTLIER) cc_final: 0.7930 (mtm180) REVERT: D 283 ARG cc_start: 0.9200 (OUTLIER) cc_final: 0.8784 (ttt-90) REVERT: D 394 GLN cc_start: 0.7209 (OUTLIER) cc_final: 0.6588 (mp10) REVERT: D 396 GLU cc_start: 0.9284 (OUTLIER) cc_final: 0.8682 (pp20) REVERT: D 411 TYR cc_start: 0.9232 (OUTLIER) cc_final: 0.8925 (m-80) REVERT: D 475 GLN cc_start: 0.9217 (OUTLIER) cc_final: 0.8983 (pm20) REVERT: D 497 TYR cc_start: 0.9120 (OUTLIER) cc_final: 0.8320 (m-80) REVERT: D 580 GLU cc_start: 0.9103 (OUTLIER) cc_final: 0.8755 (tm-30) REVERT: D 597 HIS cc_start: 0.8119 (m-70) cc_final: 0.7894 (t-90) REVERT: D 625 LEU cc_start: 0.8759 (OUTLIER) cc_final: 0.8446 (tt) REVERT: D 663 TYR cc_start: 0.7257 (OUTLIER) cc_final: 0.6270 (t80) REVERT: D 690 GLU cc_start: 0.4610 (OUTLIER) cc_final: 0.4336 (mp0) REVERT: D 714 TYR cc_start: 0.8123 (OUTLIER) cc_final: 0.7432 (m-80) REVERT: D 1076 ARG cc_start: 0.9196 (OUTLIER) cc_final: 0.8320 (ptt90) REVERT: D 1093 GLU cc_start: 0.8523 (OUTLIER) cc_final: 0.7994 (tm-30) REVERT: D 1100 MET cc_start: 0.8218 (pmm) cc_final: 0.7966 (pmm) REVERT: D 1254 HIS cc_start: 0.8791 (OUTLIER) cc_final: 0.8301 (m-70) REVERT: D 1260 MET cc_start: 0.8349 (ppp) cc_final: 0.7661 (ppp) REVERT: D 1590 GLN cc_start: 0.9216 (OUTLIER) cc_final: 0.8293 (tp40) REVERT: D 1595 LEU cc_start: 0.9349 (OUTLIER) cc_final: 0.9114 (mp) REVERT: D 1605 TRP cc_start: 0.8902 (OUTLIER) cc_final: 0.8324 (m-10) REVERT: D 1648 MET cc_start: 0.9237 (OUTLIER) cc_final: 0.8470 (ttm) REVERT: D 1652 GLU cc_start: 0.9153 (OUTLIER) cc_final: 0.8183 (pp20) REVERT: D 1721 GLU cc_start: 0.8912 (OUTLIER) cc_final: 0.8437 (tm-30) REVERT: D 1760 HIS cc_start: 0.6436 (OUTLIER) cc_final: 0.6172 (m170) REVERT: D 1772 ARG cc_start: 0.8705 (OUTLIER) cc_final: 0.8068 (mmt180) REVERT: D 1813 ARG cc_start: 0.9091 (OUTLIER) cc_final: 0.8652 (ptm-80) REVERT: D 1861 GLN cc_start: 0.8979 (OUTLIER) cc_final: 0.8746 (tm-30) REVERT: D 1928 GLN cc_start: 0.9452 (OUTLIER) cc_final: 0.8901 (mp10) REVERT: D 1929 MET cc_start: 0.8421 (mpt) cc_final: 0.7854 (mpt) REVERT: D 1997 GLU cc_start: 0.8375 (OUTLIER) cc_final: 0.7843 (mp0) REVERT: D 2104 ARG cc_start: 0.9305 (OUTLIER) cc_final: 0.8951 (ptt-90) REVERT: D 2118 ARG cc_start: 0.9225 (OUTLIER) cc_final: 0.8807 (ttp80) REVERT: D 2120 MET cc_start: 0.8904 (OUTLIER) cc_final: 0.8544 (ppp) REVERT: D 2204 HIS cc_start: 0.9636 (OUTLIER) cc_final: 0.9417 (p-80) REVERT: D 2228 MET cc_start: 0.9034 (OUTLIER) cc_final: 0.8768 (mmm) REVERT: D 2330 ARG cc_start: 0.8261 (OUTLIER) cc_final: 0.7816 (ttt180) REVERT: D 2472 LEU cc_start: 0.8552 (OUTLIER) cc_final: 0.8105 (mt) REVERT: D 2790 MET cc_start: 0.0498 (tmm) cc_final: 0.0123 (tpt) REVERT: D 2827 ARG cc_start: 0.7857 (OUTLIER) cc_final: 0.6972 (mtt90) REVERT: D 2935 TYR cc_start: 0.6210 (OUTLIER) cc_final: 0.5574 (m-80) REVERT: D 3697 PRO cc_start: 0.9343 (OUTLIER) cc_final: 0.9049 (Cg_endo) REVERT: D 3718 GLU cc_start: 0.9416 (OUTLIER) cc_final: 0.9046 (mm-30) REVERT: D 3725 TYR cc_start: 0.9528 (OUTLIER) cc_final: 0.8913 (t80) REVERT: D 3753 PHE cc_start: 0.8433 (OUTLIER) cc_final: 0.7945 (t80) REVERT: D 3778 MET cc_start: 0.9549 (ppp) cc_final: 0.9217 (ppp) REVERT: D 3836 MET cc_start: 0.9230 (OUTLIER) cc_final: 0.8687 (ppp) REVERT: D 3875 MET cc_start: 0.8604 (tpt) cc_final: 0.8002 (tpt) REVERT: D 3890 LEU cc_start: 0.9246 (OUTLIER) cc_final: 0.9038 (tp) REVERT: D 3937 TYR cc_start: 0.8295 (OUTLIER) cc_final: 0.8046 (m-80) REVERT: D 3970 GLN cc_start: 0.8789 (OUTLIER) cc_final: 0.8340 (tm-30) REVERT: D 4088 ILE cc_start: 0.7262 (OUTLIER) cc_final: 0.7056 (tt) REVERT: D 4180 ARG cc_start: 0.6789 (OUTLIER) cc_final: 0.6529 (mtp-110) REVERT: D 4195 PHE cc_start: 0.9190 (OUTLIER) cc_final: 0.8816 (p90) REVERT: D 4205 TRP cc_start: 0.9008 (OUTLIER) cc_final: 0.8724 (t-100) REVERT: D 4212 GLU cc_start: 0.9405 (OUTLIER) cc_final: 0.8980 (pp20) REVERT: D 4639 MET cc_start: 0.1391 (ptt) cc_final: 0.0443 (mtt) REVERT: D 4674 GLU cc_start: 0.9550 (OUTLIER) cc_final: 0.9264 (tp30) REVERT: D 4780 PHE cc_start: 0.9340 (OUTLIER) cc_final: 0.8932 (m-80) REVERT: D 4886 HIS cc_start: 0.9160 (OUTLIER) cc_final: 0.8488 (m90) REVERT: D 4901 ILE cc_start: 0.6606 (OUTLIER) cc_final: 0.6305 (tp) REVERT: D 4913 ARG cc_start: 0.8042 (OUTLIER) cc_final: 0.7743 (ttm170) REVERT: D 4922 PHE cc_start: 0.9065 (OUTLIER) cc_final: 0.8251 (t80) REVERT: D 4980 LEU cc_start: 0.9198 (OUTLIER) cc_final: 0.8988 (mp) REVERT: D 5014 TYR cc_start: 0.9427 (OUTLIER) cc_final: 0.9170 (t80) outliers start: 2889 outliers final: 2336 residues processed: 3236 average time/residue: 0.9241 time to fit residues: 5315.1922 Evaluate side-chains 3058 residues out of total 11344 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2590 poor density : 468 time to evaluate : 8.899 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 12 GLN Chi-restraints excluded: chain A residue 14 LEU Chi-restraints excluded: chain A residue 15 ARG Chi-restraints excluded: chain A residue 16 THR Chi-restraints excluded: chain A residue 17 ASP Chi-restraints excluded: chain A residue 18 ASP Chi-restraints excluded: chain A residue 19 GLU Chi-restraints excluded: chain A residue 29 LEU Chi-restraints excluded: chain A residue 35 LEU Chi-restraints excluded: chain A residue 40 GLU Chi-restraints excluded: chain A residue 44 ASN Chi-restraints excluded: chain A residue 49 LEU Chi-restraints excluded: chain A residue 62 LEU Chi-restraints excluded: chain A residue 66 CYS Chi-restraints excluded: chain A residue 67 PHE Chi-restraints excluded: chain A residue 69 LEU Chi-restraints excluded: chain A residue 70 GLU Chi-restraints excluded: chain A residue 72 SER Chi-restraints excluded: chain A residue 73 LEU Chi-restraints excluded: chain A residue 74 SER Chi-restraints excluded: chain A residue 75 VAL Chi-restraints excluded: chain A residue 76 ARG Chi-restraints excluded: chain A residue 78 LEU Chi-restraints excluded: chain A residue 81 MET Chi-restraints excluded: chain A residue 100 THR Chi-restraints excluded: chain A residue 109 LEU Chi-restraints excluded: chain A residue 111 HIS Chi-restraints excluded: chain A residue 113 HIS Chi-restraints excluded: chain A residue 121 LEU Chi-restraints excluded: chain A residue 122 THR Chi-restraints excluded: chain A residue 123 THR Chi-restraints excluded: chain A residue 124 SER Chi-restraints excluded: chain A residue 133 PHE Chi-restraints excluded: chain A residue 134 ASP Chi-restraints excluded: chain A residue 135 VAL Chi-restraints excluded: chain A residue 142 THR Chi-restraints excluded: chain A residue 144 GLU Chi-restraints excluded: chain A residue 149 THR Chi-restraints excluded: chain A residue 152 PRO Chi-restraints excluded: chain A residue 156 GLN Chi-restraints excluded: chain A residue 163 VAL Chi-restraints excluded: chain A residue 164 ARG Chi-restraints excluded: chain A residue 165 VAL Chi-restraints excluded: chain A residue 167 ASP Chi-restraints excluded: chain A residue 169 LEU Chi-restraints excluded: chain A residue 173 SER Chi-restraints excluded: chain A residue 175 SER Chi-restraints excluded: chain A residue 179 TYR Chi-restraints excluded: chain A residue 181 HIS Chi-restraints excluded: chain A residue 183 SER Chi-restraints excluded: chain A residue 189 LEU Chi-restraints excluded: chain A residue 191 VAL Chi-restraints excluded: chain A residue 194 SER Chi-restraints excluded: chain A residue 205 ILE Chi-restraints excluded: chain A residue 206 CYS Chi-restraints excluded: chain A residue 208 CYS Chi-restraints excluded: chain A residue 210 GLU Chi-restraints excluded: chain A residue 211 GLU Chi-restraints excluded: chain A residue 220 LEU Chi-restraints excluded: chain A residue 222 LEU Chi-restraints excluded: chain A residue 238 SER Chi-restraints excluded: chain A residue 244 LEU Chi-restraints excluded: chain A residue 246 TYR Chi-restraints excluded: chain A residue 247 TYR Chi-restraints excluded: chain A residue 257 ARG Chi-restraints excluded: chain A residue 262 LEU Chi-restraints excluded: chain A residue 263 GLU Chi-restraints excluded: chain A residue 270 SER Chi-restraints excluded: chain A residue 282 ILE Chi-restraints excluded: chain A residue 283 ARG Chi-restraints excluded: chain A residue 286 THR Chi-restraints excluded: chain A residue 293 LEU Chi-restraints excluded: chain A residue 294 THR Chi-restraints excluded: chain A residue 299 LEU Chi-restraints excluded: chain A residue 312 THR Chi-restraints excluded: chain A residue 313 SER Chi-restraints excluded: chain A residue 319 SER Chi-restraints excluded: chain A residue 343 GLU Chi-restraints excluded: chain A residue 357 LEU Chi-restraints excluded: chain A residue 358 THR Chi-restraints excluded: chain A residue 359 TYR Chi-restraints excluded: chain A residue 372 LEU Chi-restraints excluded: chain A residue 373 LYS Chi-restraints excluded: chain A residue 390 LEU Chi-restraints excluded: chain A residue 396 GLU Chi-restraints excluded: chain A residue 397 GLU Chi-restraints excluded: chain A residue 398 SER Chi-restraints excluded: chain A residue 403 MET Chi-restraints excluded: chain A residue 404 ILE Chi-restraints excluded: chain A residue 410 LEU Chi-restraints excluded: chain A residue 411 TYR Chi-restraints excluded: chain A residue 415 ILE Chi-restraints excluded: chain A residue 420 SER Chi-restraints excluded: chain A residue 438 ILE Chi-restraints excluded: chain A residue 439 GLU Chi-restraints excluded: chain A residue 452 PHE Chi-restraints excluded: chain A residue 455 PRO Chi-restraints excluded: chain A residue 459 LEU Chi-restraints excluded: chain A residue 469 ARG Chi-restraints excluded: chain A residue 475 GLN Chi-restraints excluded: chain A residue 483 MET Chi-restraints excluded: chain A residue 485 SER Chi-restraints excluded: chain A residue 486 LEU Chi-restraints excluded: chain A residue 487 VAL Chi-restraints excluded: chain A residue 488 LEU Chi-restraints excluded: chain A residue 491 ILE Chi-restraints excluded: chain A residue 497 TYR Chi-restraints excluded: chain A residue 506 TYR Chi-restraints excluded: chain A residue 510 GLU Chi-restraints excluded: chain A residue 513 GLU Chi-restraints excluded: chain A residue 514 SER Chi-restraints excluded: chain A residue 515 TRP Chi-restraints excluded: chain A residue 517 GLU Chi-restraints excluded: chain A residue 519 VAL Chi-restraints excluded: chain A residue 522 LEU Chi-restraints excluded: chain A residue 526 LEU Chi-restraints excluded: chain A residue 529 LEU Chi-restraints excluded: chain A residue 530 ILE Chi-restraints excluded: chain A residue 533 ASN Chi-restraints excluded: chain A residue 536 ASN Chi-restraints excluded: chain A residue 539 LEU Chi-restraints excluded: chain A residue 540 PHE Chi-restraints excluded: chain A residue 541 SER Chi-restraints excluded: chain A residue 547 VAL Chi-restraints excluded: chain A residue 561 LEU Chi-restraints excluded: chain A residue 563 VAL Chi-restraints excluded: chain A residue 564 LEU Chi-restraints excluded: chain A residue 569 ILE Chi-restraints excluded: chain A residue 571 SER Chi-restraints excluded: chain A residue 575 LEU Chi-restraints excluded: chain A residue 579 GLN Chi-restraints excluded: chain A residue 580 GLU Chi-restraints excluded: chain A residue 586 ILE Chi-restraints excluded: chain A residue 590 LEU Chi-restraints excluded: chain A residue 591 ASP Chi-restraints excluded: chain A residue 597 HIS Chi-restraints excluded: chain A residue 602 VAL Chi-restraints excluded: chain A residue 605 SER Chi-restraints excluded: chain A residue 609 CYS Chi-restraints excluded: chain A residue 614 VAL Chi-restraints excluded: chain A residue 621 ILE Chi-restraints excluded: chain A residue 622 THR Chi-restraints excluded: chain A residue 625 LEU Chi-restraints excluded: chain A residue 631 LEU Chi-restraints excluded: chain A residue 633 LEU Chi-restraints excluded: chain A residue 635 THR Chi-restraints excluded: chain A residue 638 ILE Chi-restraints excluded: chain A residue 642 THR Chi-restraints excluded: chain A residue 661 LYS Chi-restraints excluded: chain A residue 663 TYR Chi-restraints excluded: chain A residue 665 GLU Chi-restraints excluded: chain A residue 667 MET Chi-restraints excluded: chain A residue 669 ASP Chi-restraints excluded: chain A residue 672 VAL Chi-restraints excluded: chain A residue 676 THR Chi-restraints excluded: chain A residue 680 THR Chi-restraints excluded: chain A residue 681 HIS Chi-restraints excluded: chain A residue 682 LEU Chi-restraints excluded: chain A residue 690 GLU Chi-restraints excluded: chain A residue 695 TYR Chi-restraints excluded: chain A residue 702 TRP Chi-restraints excluded: chain A residue 709 ASP Chi-restraints excluded: chain A residue 710 ASP Chi-restraints excluded: chain A residue 712 TYR Chi-restraints excluded: chain A residue 714 TYR Chi-restraints excluded: chain A residue 719 LEU Chi-restraints excluded: chain A residue 725 HIS Chi-restraints excluded: chain A residue 743 VAL Chi-restraints excluded: chain A residue 748 LEU Chi-restraints excluded: chain A residue 749 ASP Chi-restraints excluded: chain A residue 751 SER Chi-restraints excluded: chain A residue 752 VAL Chi-restraints excluded: chain A residue 754 SER Chi-restraints excluded: chain A residue 756 SER Chi-restraints excluded: chain A residue 771 PHE Chi-restraints excluded: chain A residue 772 ASN Chi-restraints excluded: chain A residue 773 LEU Chi-restraints excluded: chain A residue 783 PHE Chi-restraints excluded: chain A residue 797 HIS Chi-restraints excluded: chain A residue 801 LYS Chi-restraints excluded: chain A residue 802 PHE Chi-restraints excluded: chain A residue 815 VAL Chi-restraints excluded: chain A residue 822 ARG Chi-restraints excluded: chain A residue 839 LEU Chi-restraints excluded: chain A residue 869 ARG Chi-restraints excluded: chain A residue 886 ARG Chi-restraints excluded: chain A residue 896 VAL Chi-restraints excluded: chain A residue 900 ASN Chi-restraints excluded: chain A residue 910 PHE Chi-restraints excluded: chain A residue 922 LEU Chi-restraints excluded: chain A residue 923 GLN Chi-restraints excluded: chain A residue 925 SER Chi-restraints excluded: chain A residue 948 ASP Chi-restraints excluded: chain A residue 965 TYR Chi-restraints excluded: chain A residue 971 ASP Chi-restraints excluded: chain A residue 972 LEU Chi-restraints excluded: chain A residue 974 HIS Chi-restraints excluded: chain A residue 977 LEU Chi-restraints excluded: chain A residue 978 THR Chi-restraints excluded: chain A residue 1036 ARG Chi-restraints excluded: chain A residue 1045 THR Chi-restraints excluded: chain A residue 1072 VAL Chi-restraints excluded: chain A residue 1076 ARG Chi-restraints excluded: chain A residue 1078 GLU Chi-restraints excluded: chain A residue 1081 TYR Chi-restraints excluded: chain A residue 1087 ARG Chi-restraints excluded: chain A residue 1093 GLU Chi-restraints excluded: chain A residue 1095 VAL Chi-restraints excluded: chain A residue 1101 ARG Chi-restraints excluded: chain A residue 1108 GLU Chi-restraints excluded: chain A residue 1120 LEU Chi-restraints excluded: chain A residue 1132 TRP Chi-restraints excluded: chain A residue 1133 HIS Chi-restraints excluded: chain A residue 1134 LEU Chi-restraints excluded: chain A residue 1139 PHE Chi-restraints excluded: chain A residue 1143 TRP Chi-restraints excluded: chain A residue 1153 ILE Chi-restraints excluded: chain A residue 1155 LEU Chi-restraints excluded: chain A residue 1158 ASN Chi-restraints excluded: chain A residue 1160 ILE Chi-restraints excluded: chain A residue 1163 THR Chi-restraints excluded: chain A residue 1169 LEU Chi-restraints excluded: chain A residue 1170 MET Chi-restraints excluded: chain A residue 1172 ASP Chi-restraints excluded: chain A residue 1184 ILE Chi-restraints excluded: chain A residue 1191 VAL Chi-restraints excluded: chain A residue 1201 HIS Chi-restraints excluded: chain A residue 1203 ASN Chi-restraints excluded: chain A residue 1209 SER Chi-restraints excluded: chain A residue 1219 LEU Chi-restraints excluded: chain A residue 1226 PHE Chi-restraints excluded: chain A residue 1235 THR Chi-restraints excluded: chain A residue 1240 LYS Chi-restraints excluded: chain A residue 1242 LEU Chi-restraints excluded: chain A residue 1244 GLN Chi-restraints excluded: chain A residue 1248 VAL Chi-restraints excluded: chain A residue 1251 GLU Chi-restraints excluded: chain A residue 1254 HIS Chi-restraints excluded: chain A residue 1266 THR Chi-restraints excluded: chain A residue 1272 LEU Chi-restraints excluded: chain A residue 1575 LEU Chi-restraints excluded: chain A residue 1590 GLN Chi-restraints excluded: chain A residue 1597 VAL Chi-restraints excluded: chain A residue 1600 LEU Chi-restraints excluded: chain A residue 1601 MET Chi-restraints excluded: chain A residue 1605 TRP Chi-restraints excluded: chain A residue 1613 LEU Chi-restraints excluded: chain A residue 1630 CYS Chi-restraints excluded: chain A residue 1636 MET Chi-restraints excluded: chain A residue 1639 LEU Chi-restraints excluded: chain A residue 1641 ILE Chi-restraints excluded: chain A residue 1648 MET Chi-restraints excluded: chain A residue 1649 ASP Chi-restraints excluded: chain A residue 1652 GLU Chi-restraints excluded: chain A residue 1654 SER Chi-restraints excluded: chain A residue 1657 LEU Chi-restraints excluded: chain A residue 1658 ASP Chi-restraints excluded: chain A residue 1661 ARG Chi-restraints excluded: chain A residue 1663 HIS Chi-restraints excluded: chain A residue 1666 THR Chi-restraints excluded: chain A residue 1673 VAL Chi-restraints excluded: chain A residue 1679 ASN Chi-restraints excluded: chain A residue 1680 ARG Chi-restraints excluded: chain A residue 1686 CYS Chi-restraints excluded: chain A residue 1694 LEU Chi-restraints excluded: chain A residue 1695 LEU Chi-restraints excluded: chain A residue 1699 GLU Chi-restraints excluded: chain A residue 1700 ASP Chi-restraints excluded: chain A residue 1703 LEU Chi-restraints excluded: chain A residue 1707 LEU Chi-restraints excluded: chain A residue 1713 ASP Chi-restraints excluded: chain A residue 1720 LEU Chi-restraints excluded: chain A residue 1721 GLU Chi-restraints excluded: chain A residue 1731 LEU Chi-restraints excluded: chain A residue 1738 LEU Chi-restraints excluded: chain A residue 1739 THR Chi-restraints excluded: chain A residue 1743 ARG Chi-restraints excluded: chain A residue 1760 HIS Chi-restraints excluded: chain A residue 1768 THR Chi-restraints excluded: chain A residue 1770 SER Chi-restraints excluded: chain A residue 1772 ARG Chi-restraints excluded: chain A residue 1778 SER Chi-restraints excluded: chain A residue 1797 ARG Chi-restraints excluded: chain A residue 1798 LEU Chi-restraints excluded: chain A residue 1813 ARG Chi-restraints excluded: chain A residue 1819 VAL Chi-restraints excluded: chain A residue 1844 LEU Chi-restraints excluded: chain A residue 1848 LEU Chi-restraints excluded: chain A residue 1850 VAL Chi-restraints excluded: chain A residue 1853 ILE Chi-restraints excluded: chain A residue 1856 ASP Chi-restraints excluded: chain A residue 1857 GLU Chi-restraints excluded: chain A residue 1863 LEU Chi-restraints excluded: chain A residue 1870 VAL Chi-restraints excluded: chain A residue 1928 GLN Chi-restraints excluded: chain A residue 1934 SER Chi-restraints excluded: chain A residue 1935 VAL Chi-restraints excluded: chain A residue 1939 MET Chi-restraints excluded: chain A residue 1942 LEU Chi-restraints excluded: chain A residue 1943 LEU Chi-restraints excluded: chain A residue 1947 CYS Chi-restraints excluded: chain A residue 1951 LEU Chi-restraints excluded: chain A residue 1958 LEU Chi-restraints excluded: chain A residue 1963 GLU Chi-restraints excluded: chain A residue 1964 ARG Chi-restraints excluded: chain A residue 1966 VAL Chi-restraints excluded: chain A residue 1968 LYS Chi-restraints excluded: chain A residue 1976 ARG Chi-restraints excluded: chain A residue 1996 ARG Chi-restraints excluded: chain A residue 1997 GLU Chi-restraints excluded: chain A residue 2030 ASP Chi-restraints excluded: chain A residue 2031 LEU Chi-restraints excluded: chain A residue 2034 PHE Chi-restraints excluded: chain A residue 2035 HIS Chi-restraints excluded: chain A residue 2095 GLN Chi-restraints excluded: chain A residue 2098 VAL Chi-restraints excluded: chain A residue 2101 MET Chi-restraints excluded: chain A residue 2102 VAL Chi-restraints excluded: chain A residue 2103 VAL Chi-restraints excluded: chain A residue 2104 ARG Chi-restraints excluded: chain A residue 2115 GLU Chi-restraints excluded: chain A residue 2117 VAL Chi-restraints excluded: chain A residue 2118 ARG Chi-restraints excluded: chain A residue 2120 MET Chi-restraints excluded: chain A residue 2122 SER Chi-restraints excluded: chain A residue 2125 HIS Chi-restraints excluded: chain A residue 2128 TYR Chi-restraints excluded: chain A residue 2138 LEU Chi-restraints excluded: chain A residue 2143 THR Chi-restraints excluded: chain A residue 2145 SER Chi-restraints excluded: chain A residue 2148 SER Chi-restraints excluded: chain A residue 2150 GLU Chi-restraints excluded: chain A residue 2155 LEU Chi-restraints excluded: chain A residue 2164 SER Chi-restraints excluded: chain A residue 2166 LEU Chi-restraints excluded: chain A residue 2169 GLN Chi-restraints excluded: chain A residue 2184 ASN Chi-restraints excluded: chain A residue 2185 ILE Chi-restraints excluded: chain A residue 2187 ASN Chi-restraints excluded: chain A residue 2189 LYS Chi-restraints excluded: chain A residue 2203 MET Chi-restraints excluded: chain A residue 2207 VAL Chi-restraints excluded: chain A residue 2225 PHE Chi-restraints excluded: chain A residue 2228 MET Chi-restraints excluded: chain A residue 2229 VAL Chi-restraints excluded: chain A residue 2231 SER Chi-restraints excluded: chain A residue 2232 CYS Chi-restraints excluded: chain A residue 2237 CYS Chi-restraints excluded: chain A residue 2245 GLN Chi-restraints excluded: chain A residue 2246 ASN Chi-restraints excluded: chain A residue 2248 ARG Chi-restraints excluded: chain A residue 2254 LEU Chi-restraints excluded: chain A residue 2256 TYR Chi-restraints excluded: chain A residue 2258 LEU Chi-restraints excluded: chain A residue 2260 ASN Chi-restraints excluded: chain A residue 2274 ASP Chi-restraints excluded: chain A residue 2275 VAL Chi-restraints excluded: chain A residue 2279 SER Chi-restraints excluded: chain A residue 2280 VAL Chi-restraints excluded: chain A residue 2281 ILE Chi-restraints excluded: chain A residue 2292 GLU Chi-restraints excluded: chain A residue 2298 VAL Chi-restraints excluded: chain A residue 2330 ARG Chi-restraints excluded: chain A residue 2334 PHE Chi-restraints excluded: chain A residue 2339 VAL Chi-restraints excluded: chain A residue 2346 VAL Chi-restraints excluded: chain A residue 2348 GLU Chi-restraints excluded: chain A residue 2349 ASN Chi-restraints excluded: chain A residue 2353 VAL Chi-restraints excluded: chain A residue 2354 VAL Chi-restraints excluded: chain A residue 2356 LEU Chi-restraints excluded: chain A residue 2357 LEU Chi-restraints excluded: chain A residue 2368 LEU Chi-restraints excluded: chain A residue 2376 LEU Chi-restraints excluded: chain A residue 2377 LEU Chi-restraints excluded: chain A residue 2380 ILE Chi-restraints excluded: chain A residue 2418 LEU Chi-restraints excluded: chain A residue 2432 LEU Chi-restraints excluded: chain A residue 2433 LEU Chi-restraints excluded: chain A residue 2449 GLU Chi-restraints excluded: chain A residue 2451 LEU Chi-restraints excluded: chain A residue 2454 ARG Chi-restraints excluded: chain A residue 2457 LEU Chi-restraints excluded: chain A residue 2460 LEU Chi-restraints excluded: chain A residue 2463 LEU Chi-restraints excluded: chain A residue 2472 LEU Chi-restraints excluded: chain A residue 2747 ILE Chi-restraints excluded: chain A residue 2752 ASP Chi-restraints excluded: chain A residue 2756 ASN Chi-restraints excluded: chain A residue 2766 TRP Chi-restraints excluded: chain A residue 2773 ASN Chi-restraints excluded: chain A residue 2792 ARG Chi-restraints excluded: chain A residue 2796 THR Chi-restraints excluded: chain A residue 2799 GLU Chi-restraints excluded: chain A residue 2809 ILE Chi-restraints excluded: chain A residue 2821 TRP Chi-restraints excluded: chain A residue 2827 ARG Chi-restraints excluded: chain A residue 2855 TYR Chi-restraints excluded: chain A residue 2856 ASN Chi-restraints excluded: chain A residue 2862 LEU Chi-restraints excluded: chain A residue 2867 LEU Chi-restraints excluded: chain A residue 2868 SER Chi-restraints excluded: chain A residue 2881 ASN Chi-restraints excluded: chain A residue 2888 ARG Chi-restraints excluded: chain A residue 2889 LYS Chi-restraints excluded: chain A residue 2905 LEU Chi-restraints excluded: chain A residue 2906 VAL Chi-restraints excluded: chain A residue 2910 THR Chi-restraints excluded: chain A residue 2911 LEU Chi-restraints excluded: chain A residue 2929 PHE Chi-restraints excluded: chain A residue 2935 TYR Chi-restraints excluded: chain A residue 2938 THR Chi-restraints excluded: chain A residue 3639 THR Chi-restraints excluded: chain A residue 3644 LEU Chi-restraints excluded: chain A residue 3646 THR Chi-restraints excluded: chain A residue 3651 ASN Chi-restraints excluded: chain A residue 3652 MET Chi-restraints excluded: chain A residue 3657 TYR Chi-restraints excluded: chain A residue 3661 TRP Chi-restraints excluded: chain A residue 3663 LEU Chi-restraints excluded: chain A residue 3665 GLU Chi-restraints excluded: chain A residue 3666 ASP Chi-restraints excluded: chain A residue 3669 PHE Chi-restraints excluded: chain A residue 3676 ASP Chi-restraints excluded: chain A residue 3679 LYS Chi-restraints excluded: chain A residue 3697 PRO Chi-restraints excluded: chain A residue 3698 LEU Chi-restraints excluded: chain A residue 3702 VAL Chi-restraints excluded: chain A residue 3708 THR Chi-restraints excluded: chain A residue 3711 THR Chi-restraints excluded: chain A residue 3714 SER Chi-restraints excluded: chain A residue 3717 ASP Chi-restraints excluded: chain A residue 3718 GLU Chi-restraints excluded: chain A residue 3720 TYR Chi-restraints excluded: chain A residue 3725 TYR Chi-restraints excluded: chain A residue 3727 ASP Chi-restraints excluded: chain A residue 3753 PHE Chi-restraints excluded: chain A residue 3759 GLU Chi-restraints excluded: chain A residue 3763 LEU Chi-restraints excluded: chain A residue 3766 GLN Chi-restraints excluded: chain A residue 3773 ARG Chi-restraints excluded: chain A residue 3780 LEU Chi-restraints excluded: chain A residue 3786 CYS Chi-restraints excluded: chain A residue 3787 LYS Chi-restraints excluded: chain A residue 3790 THR Chi-restraints excluded: chain A residue 3796 SER Chi-restraints excluded: chain A residue 3797 THR Chi-restraints excluded: chain A residue 3798 LEU Chi-restraints excluded: chain A residue 3802 ILE Chi-restraints excluded: chain A residue 3811 GLU Chi-restraints excluded: chain A residue 3816 MET Chi-restraints excluded: chain A residue 3822 ASP Chi-restraints excluded: chain A residue 3828 PHE Chi-restraints excluded: chain A residue 3836 MET Chi-restraints excluded: chain A residue 3838 THR Chi-restraints excluded: chain A residue 3842 LEU Chi-restraints excluded: chain A residue 3843 ASP Chi-restraints excluded: chain A residue 3844 LEU Chi-restraints excluded: chain A residue 3847 PHE Chi-restraints excluded: chain A residue 3881 THR Chi-restraints excluded: chain A residue 3882 GLN Chi-restraints excluded: chain A residue 3883 ASP Chi-restraints excluded: chain A residue 3890 LEU Chi-restraints excluded: chain A residue 3891 LEU Chi-restraints excluded: chain A residue 3895 HIS Chi-restraints excluded: chain A residue 3900 GLN Chi-restraints excluded: chain A residue 3902 TYR Chi-restraints excluded: chain A residue 3907 THR Chi-restraints excluded: chain A residue 3909 ASN Chi-restraints excluded: chain A residue 3913 ILE Chi-restraints excluded: chain A residue 3915 ILE Chi-restraints excluded: chain A residue 3916 ILE Chi-restraints excluded: chain A residue 3917 ILE Chi-restraints excluded: chain A residue 3920 VAL Chi-restraints excluded: chain A residue 3924 LEU Chi-restraints excluded: chain A residue 3927 GLN Chi-restraints excluded: chain A residue 3928 GLU Chi-restraints excluded: chain A residue 3929 SER Chi-restraints excluded: chain A residue 3931 SER Chi-restraints excluded: chain A residue 3932 ASP Chi-restraints excluded: chain A residue 3937 TYR Chi-restraints excluded: chain A residue 3944 GLU Chi-restraints excluded: chain A residue 3946 GLN Chi-restraints excluded: chain A residue 3948 LYS Chi-restraints excluded: chain A residue 3953 LYS Chi-restraints excluded: chain A residue 3957 VAL Chi-restraints excluded: chain A residue 3959 LYS Chi-restraints excluded: chain A residue 3961 VAL Chi-restraints excluded: chain A residue 3963 ASN Chi-restraints excluded: chain A residue 3964 SER Chi-restraints excluded: chain A residue 3974 THR Chi-restraints excluded: chain A residue 3979 SER Chi-restraints excluded: chain A residue 3982 HIS Chi-restraints excluded: chain A residue 3986 TRP Chi-restraints excluded: chain A residue 3987 ASP Chi-restraints excluded: chain A residue 3990 VAL Chi-restraints excluded: chain A residue 3993 LEU Chi-restraints excluded: chain A residue 3996 PHE Chi-restraints excluded: chain A residue 4011 GLU Chi-restraints excluded: chain A residue 4013 LEU Chi-restraints excluded: chain A residue 4022 ASP Chi-restraints excluded: chain A residue 4023 MET Chi-restraints excluded: chain A residue 4025 VAL Chi-restraints excluded: chain A residue 4040 ILE Chi-restraints excluded: chain A residue 4044 MET Chi-restraints excluded: chain A residue 4045 VAL Chi-restraints excluded: chain A residue 4046 ASP Chi-restraints excluded: chain A residue 4049 VAL Chi-restraints excluded: chain A residue 4055 VAL Chi-restraints excluded: chain A residue 4058 ILE Chi-restraints excluded: chain A residue 4059 LEU Chi-restraints excluded: chain A residue 4063 ASP Chi-restraints excluded: chain A residue 4066 LEU Chi-restraints excluded: chain A residue 4071 ILE Chi-restraints excluded: chain A residue 4088 ILE Chi-restraints excluded: chain A residue 4090 LYS Chi-restraints excluded: chain A residue 4095 LYS Chi-restraints excluded: chain A residue 4099 SER Chi-restraints excluded: chain A residue 4102 GLN Chi-restraints excluded: chain A residue 4109 GLN Chi-restraints excluded: chain A residue 4121 GLU Chi-restraints excluded: chain A residue 4128 PHE Chi-restraints excluded: chain A residue 4134 GLU Chi-restraints excluded: chain A residue 4139 ILE Chi-restraints excluded: chain A residue 4142 ASN Chi-restraints excluded: chain A residue 4143 VAL Chi-restraints excluded: chain A residue 4150 LEU Chi-restraints excluded: chain A residue 4151 SER Chi-restraints excluded: chain A residue 4157 ASP Chi-restraints excluded: chain A residue 4159 ARG Chi-restraints excluded: chain A residue 4160 LEU Chi-restraints excluded: chain A residue 4162 ASN Chi-restraints excluded: chain A residue 4164 LEU Chi-restraints excluded: chain A residue 4166 LEU Chi-restraints excluded: chain A residue 4178 LEU Chi-restraints excluded: chain A residue 4180 ARG Chi-restraints excluded: chain A residue 4181 ILE Chi-restraints excluded: chain A residue 4190 ILE Chi-restraints excluded: chain A residue 4200 THR Chi-restraints excluded: chain A residue 4202 ARG Chi-restraints excluded: chain A residue 4205 TRP Chi-restraints excluded: chain A residue 4212 GLU Chi-restraints excluded: chain A residue 4237 PHE Chi-restraints excluded: chain A residue 4238 CYS Chi-restraints excluded: chain A residue 4244 GLU Chi-restraints excluded: chain A residue 4250 GLN Chi-restraints excluded: chain A residue 4251 ILE Chi-restraints excluded: chain A residue 4252 SER Chi-restraints excluded: chain A residue 4546 VAL Chi-restraints excluded: chain A residue 4547 GLN Chi-restraints excluded: chain A residue 4549 VAL Chi-restraints excluded: chain A residue 4558 ASN Chi-restraints excluded: chain A residue 4559 PHE Chi-restraints excluded: chain A residue 4563 ARG Chi-restraints excluded: chain A residue 4565 LEU Chi-restraints excluded: chain A residue 4571 PHE Chi-restraints excluded: chain A residue 4573 ILE Chi-restraints excluded: chain A residue 4575 PHE Chi-restraints excluded: chain A residue 4576 ILE Chi-restraints excluded: chain A residue 4577 LEU Chi-restraints excluded: chain A residue 4578 LEU Chi-restraints excluded: chain A residue 4582 VAL Chi-restraints excluded: chain A residue 4630 TYR Chi-restraints excluded: chain A residue 4631 PHE Chi-restraints excluded: chain A residue 4632 LEU Chi-restraints excluded: chain A residue 4635 SER Chi-restraints excluded: chain A residue 4638 TYR Chi-restraints excluded: chain A residue 4646 LEU Chi-restraints excluded: chain A residue 4648 LEU Chi-restraints excluded: chain A residue 4649 LEU Chi-restraints excluded: chain A residue 4651 THR Chi-restraints excluded: chain A residue 4652 LEU Chi-restraints excluded: chain A residue 4653 VAL Chi-restraints excluded: chain A residue 4656 LEU Chi-restraints excluded: chain A residue 4657 CYS Chi-restraints excluded: chain A residue 4663 CYS Chi-restraints excluded: chain A residue 4666 VAL Chi-restraints excluded: chain A residue 4668 LEU Chi-restraints excluded: chain A residue 4674 GLU Chi-restraints excluded: chain A residue 4676 GLU Chi-restraints excluded: chain A residue 4677 LEU Chi-restraints excluded: chain A residue 4682 GLU Chi-restraints excluded: chain A residue 4684 ASP Chi-restraints excluded: chain A residue 4686 LEU Chi-restraints excluded: chain A residue 4688 ILE Chi-restraints excluded: chain A residue 4701 TRP Chi-restraints excluded: chain A residue 4710 SER Chi-restraints excluded: chain A residue 4714 ASN Chi-restraints excluded: chain A residue 4723 LYS Chi-restraints excluded: chain A residue 4727 LYS Chi-restraints excluded: chain A residue 4731 ILE Chi-restraints excluded: chain A residue 4736 ARG Chi-restraints excluded: chain A residue 4739 GLU Chi-restraints excluded: chain A residue 4747 SER Chi-restraints excluded: chain A residue 4770 SER Chi-restraints excluded: chain A residue 4771 ILE Chi-restraints excluded: chain A residue 4774 LYS Chi-restraints excluded: chain A residue 4777 ILE Chi-restraints excluded: chain A residue 4780 PHE Chi-restraints excluded: chain A residue 4783 ILE Chi-restraints excluded: chain A residue 4786 ASP Chi-restraints excluded: chain A residue 4790 LEU Chi-restraints excluded: chain A residue 4791 TYR Chi-restraints excluded: chain A residue 4794 TRP Chi-restraints excluded: chain A residue 4797 VAL Chi-restraints excluded: chain A residue 4800 LEU Chi-restraints excluded: chain A residue 4807 PHE Chi-restraints excluded: chain A residue 4814 LEU Chi-restraints excluded: chain A residue 4818 MET Chi-restraints excluded: chain A residue 4822 THR Chi-restraints excluded: chain A residue 4827 LEU Chi-restraints excluded: chain A residue 4830 VAL Chi-restraints excluded: chain A residue 4836 GLN Chi-restraints excluded: chain A residue 4838 VAL Chi-restraints excluded: chain A residue 4849 TYR Chi-restraints excluded: chain A residue 4852 THR Chi-restraints excluded: chain A residue 4854 VAL Chi-restraints excluded: chain A residue 4864 ASN Chi-restraints excluded: chain A residue 4867 GLU Chi-restraints excluded: chain A residue 4877 ASP Chi-restraints excluded: chain A residue 4886 HIS Chi-restraints excluded: chain A residue 4901 ILE Chi-restraints excluded: chain A residue 4904 PRO Chi-restraints excluded: chain A residue 4913 ARG Chi-restraints excluded: chain A residue 4915 VAL Chi-restraints excluded: chain A residue 4918 ILE Chi-restraints excluded: chain A residue 4919 THR Chi-restraints excluded: chain A residue 4920 PHE Chi-restraints excluded: chain A residue 4921 PHE Chi-restraints excluded: chain A residue 4922 PHE Chi-restraints excluded: chain A residue 4936 ILE Chi-restraints excluded: chain A residue 4943 LEU Chi-restraints excluded: chain A residue 4945 ASP Chi-restraints excluded: chain A residue 4950 VAL Chi-restraints excluded: chain A residue 4956 THR Chi-restraints excluded: chain A residue 4959 PHE Chi-restraints excluded: chain A residue 4983 HIS Chi-restraints excluded: chain A residue 4984 ASN Chi-restraints excluded: chain A residue 4985 LEU Chi-restraints excluded: chain A residue 4990 PHE Chi-restraints excluded: chain A residue 4994 TYR Chi-restraints excluded: chain A residue 4998 LYS Chi-restraints excluded: chain A residue 4999 ASP Chi-restraints excluded: chain A residue 5004 THR Chi-restraints excluded: chain A residue 5010 VAL Chi-restraints excluded: chain A residue 5013 MET Chi-restraints excluded: chain A residue 5014 TYR Chi-restraints excluded: chain A residue 5016 GLU Chi-restraints excluded: chain A residue 5020 ASP Chi-restraints excluded: chain A residue 5027 CYS Chi-restraints excluded: chain B residue 12 GLN Chi-restraints excluded: chain B residue 15 ARG Chi-restraints excluded: chain B residue 16 THR Chi-restraints excluded: chain B residue 17 ASP Chi-restraints excluded: chain B residue 18 ASP Chi-restraints excluded: chain B residue 19 GLU Chi-restraints excluded: chain B residue 29 LEU Chi-restraints excluded: chain B residue 35 LEU Chi-restraints excluded: chain B residue 40 GLU Chi-restraints excluded: chain B residue 44 ASN Chi-restraints excluded: chain B residue 49 LEU Chi-restraints excluded: chain B residue 52 THR Chi-restraints excluded: chain B residue 57 ASN Chi-restraints excluded: chain B residue 66 CYS Chi-restraints excluded: chain B residue 67 PHE Chi-restraints excluded: chain B residue 69 LEU Chi-restraints excluded: chain B residue 70 GLU Chi-restraints excluded: chain B residue 72 SER Chi-restraints excluded: chain B residue 73 LEU Chi-restraints excluded: chain B residue 74 SER Chi-restraints excluded: chain B residue 75 VAL Chi-restraints excluded: chain B residue 76 ARG Chi-restraints excluded: chain B residue 78 LEU Chi-restraints excluded: chain B residue 81 MET Chi-restraints excluded: chain B residue 100 THR Chi-restraints excluded: chain B residue 109 LEU Chi-restraints excluded: chain B residue 111 HIS Chi-restraints excluded: chain B residue 113 HIS Chi-restraints excluded: chain B residue 121 LEU Chi-restraints excluded: chain B residue 122 THR Chi-restraints excluded: chain B residue 123 THR Chi-restraints excluded: chain B residue 124 SER Chi-restraints excluded: chain B residue 133 PHE Chi-restraints excluded: chain B residue 134 ASP Chi-restraints excluded: chain B residue 135 VAL Chi-restraints excluded: chain B residue 142 THR Chi-restraints excluded: chain B residue 144 GLU Chi-restraints excluded: chain B residue 149 THR Chi-restraints excluded: chain B residue 152 PRO Chi-restraints excluded: chain B residue 156 GLN Chi-restraints excluded: chain B residue 163 VAL Chi-restraints excluded: chain B residue 165 VAL Chi-restraints excluded: chain B residue 167 ASP Chi-restraints excluded: chain B residue 169 LEU Chi-restraints excluded: chain B residue 173 SER Chi-restraints excluded: chain B residue 175 SER Chi-restraints excluded: chain B residue 179 TYR Chi-restraints excluded: chain B residue 181 HIS Chi-restraints excluded: chain B residue 183 SER Chi-restraints excluded: chain B residue 189 LEU Chi-restraints excluded: chain B residue 191 VAL Chi-restraints excluded: chain B residue 205 ILE Chi-restraints excluded: chain B residue 206 CYS Chi-restraints excluded: chain B residue 208 CYS Chi-restraints excluded: chain B residue 210 GLU Chi-restraints excluded: chain B residue 211 GLU Chi-restraints excluded: chain B residue 222 LEU Chi-restraints excluded: chain B residue 238 SER Chi-restraints excluded: chain B residue 244 LEU Chi-restraints excluded: chain B residue 246 TYR Chi-restraints excluded: chain B residue 247 TYR Chi-restraints excluded: chain B residue 257 ARG Chi-restraints excluded: chain B residue 262 LEU Chi-restraints excluded: chain B residue 270 SER Chi-restraints excluded: chain B residue 275 ARG Chi-restraints excluded: chain B residue 282 ILE Chi-restraints excluded: chain B residue 283 ARG Chi-restraints excluded: chain B residue 286 THR Chi-restraints excluded: chain B residue 293 LEU Chi-restraints excluded: chain B residue 294 THR Chi-restraints excluded: chain B residue 299 LEU Chi-restraints excluded: chain B residue 312 THR Chi-restraints excluded: chain B residue 313 SER Chi-restraints excluded: chain B residue 315 CYS Chi-restraints excluded: chain B residue 343 GLU Chi-restraints excluded: chain B residue 345 LEU Chi-restraints excluded: chain B residue 357 LEU Chi-restraints excluded: chain B residue 358 THR Chi-restraints excluded: chain B residue 359 TYR Chi-restraints excluded: chain B residue 372 LEU Chi-restraints excluded: chain B residue 373 LYS Chi-restraints excluded: chain B residue 390 LEU Chi-restraints excluded: chain B residue 396 GLU Chi-restraints excluded: chain B residue 398 SER Chi-restraints excluded: chain B residue 403 MET Chi-restraints excluded: chain B residue 404 ILE Chi-restraints excluded: chain B residue 410 LEU Chi-restraints excluded: chain B residue 411 TYR Chi-restraints excluded: chain B residue 415 ILE Chi-restraints excluded: chain B residue 420 SER Chi-restraints excluded: chain B residue 438 ILE Chi-restraints excluded: chain B residue 439 GLU Chi-restraints excluded: chain B residue 452 PHE Chi-restraints excluded: chain B residue 459 LEU Chi-restraints excluded: chain B residue 460 GLN Chi-restraints excluded: chain B residue 462 GLU Chi-restraints excluded: chain B residue 463 GLU Chi-restraints excluded: chain B residue 469 ARG Chi-restraints excluded: chain B residue 475 GLN Chi-restraints excluded: chain B residue 483 MET Chi-restraints excluded: chain B residue 485 SER Chi-restraints excluded: chain B residue 486 LEU Chi-restraints excluded: chain B residue 487 VAL Chi-restraints excluded: chain B residue 488 LEU Chi-restraints excluded: chain B residue 491 ILE Chi-restraints excluded: chain B residue 497 TYR Chi-restraints excluded: chain B residue 506 TYR Chi-restraints excluded: chain B residue 510 GLU Chi-restraints excluded: chain B residue 513 GLU Chi-restraints excluded: chain B residue 514 SER Chi-restraints excluded: chain B residue 515 TRP Chi-restraints excluded: chain B residue 517 GLU Chi-restraints excluded: chain B residue 519 VAL Chi-restraints excluded: chain B residue 522 LEU Chi-restraints excluded: chain B residue 526 LEU Chi-restraints excluded: chain B residue 530 ILE Chi-restraints excluded: chain B residue 533 ASN Chi-restraints excluded: chain B residue 536 ASN Chi-restraints excluded: chain B residue 539 LEU Chi-restraints excluded: chain B residue 540 PHE Chi-restraints excluded: chain B residue 541 SER Chi-restraints excluded: chain B residue 547 VAL Chi-restraints excluded: chain B residue 561 LEU Chi-restraints excluded: chain B residue 563 VAL Chi-restraints excluded: chain B residue 564 LEU Chi-restraints excluded: chain B residue 569 ILE Chi-restraints excluded: chain B residue 571 SER Chi-restraints excluded: chain B residue 575 LEU Chi-restraints excluded: chain B residue 579 GLN Chi-restraints excluded: chain B residue 580 GLU Chi-restraints excluded: chain B residue 586 ILE Chi-restraints excluded: chain B residue 590 LEU Chi-restraints excluded: chain B residue 591 ASP Chi-restraints excluded: chain B residue 597 HIS Chi-restraints excluded: chain B residue 602 VAL Chi-restraints excluded: chain B residue 605 SER Chi-restraints excluded: chain B residue 609 CYS Chi-restraints excluded: chain B residue 612 VAL Chi-restraints excluded: chain B residue 614 VAL Chi-restraints excluded: chain B residue 621 ILE Chi-restraints excluded: chain B residue 622 THR Chi-restraints excluded: chain B residue 625 LEU Chi-restraints excluded: chain B residue 631 LEU Chi-restraints excluded: chain B residue 633 LEU Chi-restraints excluded: chain B residue 635 THR Chi-restraints excluded: chain B residue 638 ILE Chi-restraints excluded: chain B residue 642 THR Chi-restraints excluded: chain B residue 661 LYS Chi-restraints excluded: chain B residue 663 TYR Chi-restraints excluded: chain B residue 665 GLU Chi-restraints excluded: chain B residue 667 MET Chi-restraints excluded: chain B residue 669 ASP Chi-restraints excluded: chain B residue 672 VAL Chi-restraints excluded: chain B residue 676 THR Chi-restraints excluded: chain B residue 680 THR Chi-restraints excluded: chain B residue 682 LEU Chi-restraints excluded: chain B residue 690 GLU Chi-restraints excluded: chain B residue 695 TYR Chi-restraints excluded: chain B residue 702 TRP Chi-restraints excluded: chain B residue 710 ASP Chi-restraints excluded: chain B residue 712 TYR Chi-restraints excluded: chain B residue 714 TYR Chi-restraints excluded: chain B residue 719 LEU Chi-restraints excluded: chain B residue 735 GLN Chi-restraints excluded: chain B residue 743 VAL Chi-restraints excluded: chain B residue 748 LEU Chi-restraints excluded: chain B residue 751 SER Chi-restraints excluded: chain B residue 752 VAL Chi-restraints excluded: chain B residue 754 SER Chi-restraints excluded: chain B residue 756 SER Chi-restraints excluded: chain B residue 771 PHE Chi-restraints excluded: chain B residue 773 LEU Chi-restraints excluded: chain B residue 783 PHE Chi-restraints excluded: chain B residue 797 HIS Chi-restraints excluded: chain B residue 801 LYS Chi-restraints excluded: chain B residue 802 PHE Chi-restraints excluded: chain B residue 815 VAL Chi-restraints excluded: chain B residue 822 ARG Chi-restraints excluded: chain B residue 839 LEU Chi-restraints excluded: chain B residue 840 VAL Chi-restraints excluded: chain B residue 867 LEU Chi-restraints excluded: chain B residue 869 ARG Chi-restraints excluded: chain B residue 896 VAL Chi-restraints excluded: chain B residue 900 ASN Chi-restraints excluded: chain B residue 910 PHE Chi-restraints excluded: chain B residue 922 LEU Chi-restraints excluded: chain B residue 923 GLN Chi-restraints excluded: chain B residue 925 SER Chi-restraints excluded: chain B residue 948 ASP Chi-restraints excluded: chain B residue 965 TYR Chi-restraints excluded: chain B residue 971 ASP Chi-restraints excluded: chain B residue 972 LEU Chi-restraints excluded: chain B residue 974 HIS Chi-restraints excluded: chain B residue 977 LEU Chi-restraints excluded: chain B residue 978 THR Chi-restraints excluded: chain B residue 1036 ARG Chi-restraints excluded: chain B residue 1045 THR Chi-restraints excluded: chain B residue 1072 VAL Chi-restraints excluded: chain B residue 1076 ARG Chi-restraints excluded: chain B residue 1078 GLU Chi-restraints excluded: chain B residue 1081 TYR Chi-restraints excluded: chain B residue 1087 ARG Chi-restraints excluded: chain B residue 1093 GLU Chi-restraints excluded: chain B residue 1095 VAL Chi-restraints excluded: chain B residue 1101 ARG Chi-restraints excluded: chain B residue 1108 GLU Chi-restraints excluded: chain B residue 1120 LEU Chi-restraints excluded: chain B residue 1132 TRP Chi-restraints excluded: chain B residue 1133 HIS Chi-restraints excluded: chain B residue 1134 LEU Chi-restraints excluded: chain B residue 1139 PHE Chi-restraints excluded: chain B residue 1143 TRP Chi-restraints excluded: chain B residue 1153 ILE Chi-restraints excluded: chain B residue 1155 LEU Chi-restraints excluded: chain B residue 1158 ASN Chi-restraints excluded: chain B residue 1160 ILE Chi-restraints excluded: chain B residue 1163 THR Chi-restraints excluded: chain B residue 1169 LEU Chi-restraints excluded: chain B residue 1172 ASP Chi-restraints excluded: chain B residue 1184 ILE Chi-restraints excluded: chain B residue 1191 VAL Chi-restraints excluded: chain B residue 1201 HIS Chi-restraints excluded: chain B residue 1203 ASN Chi-restraints excluded: chain B residue 1204 LEU Chi-restraints excluded: chain B residue 1209 SER Chi-restraints excluded: chain B residue 1219 LEU Chi-restraints excluded: chain B residue 1226 PHE Chi-restraints excluded: chain B residue 1235 THR Chi-restraints excluded: chain B residue 1240 LYS Chi-restraints excluded: chain B residue 1242 LEU Chi-restraints excluded: chain B residue 1244 GLN Chi-restraints excluded: chain B residue 1248 VAL Chi-restraints excluded: chain B residue 1251 GLU Chi-restraints excluded: chain B residue 1254 HIS Chi-restraints excluded: chain B residue 1266 THR Chi-restraints excluded: chain B residue 1272 LEU Chi-restraints excluded: chain B residue 1575 LEU Chi-restraints excluded: chain B residue 1590 GLN Chi-restraints excluded: chain B residue 1595 LEU Chi-restraints excluded: chain B residue 1597 VAL Chi-restraints excluded: chain B residue 1600 LEU Chi-restraints excluded: chain B residue 1601 MET Chi-restraints excluded: chain B residue 1605 TRP Chi-restraints excluded: chain B residue 1613 LEU Chi-restraints excluded: chain B residue 1630 CYS Chi-restraints excluded: chain B residue 1636 MET Chi-restraints excluded: chain B residue 1639 LEU Chi-restraints excluded: chain B residue 1641 ILE Chi-restraints excluded: chain B residue 1648 MET Chi-restraints excluded: chain B residue 1649 ASP Chi-restraints excluded: chain B residue 1652 GLU Chi-restraints excluded: chain B residue 1654 SER Chi-restraints excluded: chain B residue 1657 LEU Chi-restraints excluded: chain B residue 1658 ASP Chi-restraints excluded: chain B residue 1661 ARG Chi-restraints excluded: chain B residue 1666 THR Chi-restraints excluded: chain B residue 1673 VAL Chi-restraints excluded: chain B residue 1679 ASN Chi-restraints excluded: chain B residue 1680 ARG Chi-restraints excluded: chain B residue 1686 CYS Chi-restraints excluded: chain B residue 1694 LEU Chi-restraints excluded: chain B residue 1695 LEU Chi-restraints excluded: chain B residue 1699 GLU Chi-restraints excluded: chain B residue 1700 ASP Chi-restraints excluded: chain B residue 1703 LEU Chi-restraints excluded: chain B residue 1707 LEU Chi-restraints excluded: chain B residue 1713 ASP Chi-restraints excluded: chain B residue 1720 LEU Chi-restraints excluded: chain B residue 1721 GLU Chi-restraints excluded: chain B residue 1731 LEU Chi-restraints excluded: chain B residue 1738 LEU Chi-restraints excluded: chain B residue 1739 THR Chi-restraints excluded: chain B residue 1743 ARG Chi-restraints excluded: chain B residue 1760 HIS Chi-restraints excluded: chain B residue 1768 THR Chi-restraints excluded: chain B residue 1770 SER Chi-restraints excluded: chain B residue 1772 ARG Chi-restraints excluded: chain B residue 1778 SER Chi-restraints excluded: chain B residue 1782 PHE Chi-restraints excluded: chain B residue 1797 ARG Chi-restraints excluded: chain B residue 1798 LEU Chi-restraints excluded: chain B residue 1810 LYS Chi-restraints excluded: chain B residue 1813 ARG Chi-restraints excluded: chain B residue 1819 VAL Chi-restraints excluded: chain B residue 1844 LEU Chi-restraints excluded: chain B residue 1848 LEU Chi-restraints excluded: chain B residue 1850 VAL Chi-restraints excluded: chain B residue 1853 ILE Chi-restraints excluded: chain B residue 1856 ASP Chi-restraints excluded: chain B residue 1857 GLU Chi-restraints excluded: chain B residue 1861 GLN Chi-restraints excluded: chain B residue 1863 LEU Chi-restraints excluded: chain B residue 1870 VAL Chi-restraints excluded: chain B residue 1928 GLN Chi-restraints excluded: chain B residue 1934 SER Chi-restraints excluded: chain B residue 1935 VAL Chi-restraints excluded: chain B residue 1939 MET Chi-restraints excluded: chain B residue 1942 LEU Chi-restraints excluded: chain B residue 1943 LEU Chi-restraints excluded: chain B residue 1947 CYS Chi-restraints excluded: chain B residue 1951 LEU Chi-restraints excluded: chain B residue 1958 LEU Chi-restraints excluded: chain B residue 1963 GLU Chi-restraints excluded: chain B residue 1964 ARG Chi-restraints excluded: chain B residue 1966 VAL Chi-restraints excluded: chain B residue 1968 LYS Chi-restraints excluded: chain B residue 1976 ARG Chi-restraints excluded: chain B residue 1996 ARG Chi-restraints excluded: chain B residue 1997 GLU Chi-restraints excluded: chain B residue 2030 ASP Chi-restraints excluded: chain B residue 2031 LEU Chi-restraints excluded: chain B residue 2034 PHE Chi-restraints excluded: chain B residue 2035 HIS Chi-restraints excluded: chain B residue 2095 GLN Chi-restraints excluded: chain B residue 2098 VAL Chi-restraints excluded: chain B residue 2101 MET Chi-restraints excluded: chain B residue 2102 VAL Chi-restraints excluded: chain B residue 2103 VAL Chi-restraints excluded: chain B residue 2104 ARG Chi-restraints excluded: chain B residue 2115 GLU Chi-restraints excluded: chain B residue 2117 VAL Chi-restraints excluded: chain B residue 2118 ARG Chi-restraints excluded: chain B residue 2120 MET Chi-restraints excluded: chain B residue 2122 SER Chi-restraints excluded: chain B residue 2125 HIS Chi-restraints excluded: chain B residue 2128 TYR Chi-restraints excluded: chain B residue 2138 LEU Chi-restraints excluded: chain B residue 2143 THR Chi-restraints excluded: chain B residue 2145 SER Chi-restraints excluded: chain B residue 2148 SER Chi-restraints excluded: chain B residue 2150 GLU Chi-restraints excluded: chain B residue 2155 LEU Chi-restraints excluded: chain B residue 2164 SER Chi-restraints excluded: chain B residue 2166 LEU Chi-restraints excluded: chain B residue 2169 GLN Chi-restraints excluded: chain B residue 2184 ASN Chi-restraints excluded: chain B residue 2185 ILE Chi-restraints excluded: chain B residue 2187 ASN Chi-restraints excluded: chain B residue 2189 LYS Chi-restraints excluded: chain B residue 2197 LEU Chi-restraints excluded: chain B residue 2198 MET Chi-restraints excluded: chain B residue 2203 MET Chi-restraints excluded: chain B residue 2204 HIS Chi-restraints excluded: chain B residue 2207 VAL Chi-restraints excluded: chain B residue 2225 PHE Chi-restraints excluded: chain B residue 2228 MET Chi-restraints excluded: chain B residue 2229 VAL Chi-restraints excluded: chain B residue 2231 SER Chi-restraints excluded: chain B residue 2232 CYS Chi-restraints excluded: chain B residue 2237 CYS Chi-restraints excluded: chain B residue 2245 GLN Chi-restraints excluded: chain B residue 2246 ASN Chi-restraints excluded: chain B residue 2248 ARG Chi-restraints excluded: chain B residue 2254 LEU Chi-restraints excluded: chain B residue 2256 TYR Chi-restraints excluded: chain B residue 2258 LEU Chi-restraints excluded: chain B residue 2260 ASN Chi-restraints excluded: chain B residue 2275 VAL Chi-restraints excluded: chain B residue 2279 SER Chi-restraints excluded: chain B residue 2280 VAL Chi-restraints excluded: chain B residue 2292 GLU Chi-restraints excluded: chain B residue 2298 VAL Chi-restraints excluded: chain B residue 2330 ARG Chi-restraints excluded: chain B residue 2334 PHE Chi-restraints excluded: chain B residue 2339 VAL Chi-restraints excluded: chain B residue 2340 PHE Chi-restraints excluded: chain B residue 2346 VAL Chi-restraints excluded: chain B residue 2348 GLU Chi-restraints excluded: chain B residue 2349 ASN Chi-restraints excluded: chain B residue 2353 VAL Chi-restraints excluded: chain B residue 2354 VAL Chi-restraints excluded: chain B residue 2356 LEU Chi-restraints excluded: chain B residue 2357 LEU Chi-restraints excluded: chain B residue 2368 LEU Chi-restraints excluded: chain B residue 2376 LEU Chi-restraints excluded: chain B residue 2377 LEU Chi-restraints excluded: chain B residue 2380 ILE Chi-restraints excluded: chain B residue 2418 LEU Chi-restraints excluded: chain B residue 2432 LEU Chi-restraints excluded: chain B residue 2433 LEU Chi-restraints excluded: chain B residue 2449 GLU Chi-restraints excluded: chain B residue 2451 LEU Chi-restraints excluded: chain B residue 2454 ARG Chi-restraints excluded: chain B residue 2457 LEU Chi-restraints excluded: chain B residue 2460 LEU Chi-restraints excluded: chain B residue 2463 LEU Chi-restraints excluded: chain B residue 2472 LEU Chi-restraints excluded: chain B residue 2747 ILE Chi-restraints excluded: chain B residue 2752 ASP Chi-restraints excluded: chain B residue 2760 GLU Chi-restraints excluded: chain B residue 2766 TRP Chi-restraints excluded: chain B residue 2773 ASN Chi-restraints excluded: chain B residue 2792 ARG Chi-restraints excluded: chain B residue 2796 THR Chi-restraints excluded: chain B residue 2799 GLU Chi-restraints excluded: chain B residue 2809 ILE Chi-restraints excluded: chain B residue 2821 TRP Chi-restraints excluded: chain B residue 2827 ARG Chi-restraints excluded: chain B residue 2855 TYR Chi-restraints excluded: chain B residue 2856 ASN Chi-restraints excluded: chain B residue 2862 LEU Chi-restraints excluded: chain B residue 2867 LEU Chi-restraints excluded: chain B residue 2868 SER Chi-restraints excluded: chain B residue 2881 ASN Chi-restraints excluded: chain B residue 2888 ARG Chi-restraints excluded: chain B residue 2889 LYS Chi-restraints excluded: chain B residue 2905 LEU Chi-restraints excluded: chain B residue 2906 VAL Chi-restraints excluded: chain B residue 2910 THR Chi-restraints excluded: chain B residue 2911 LEU Chi-restraints excluded: chain B residue 2929 PHE Chi-restraints excluded: chain B residue 2935 TYR Chi-restraints excluded: chain B residue 2938 THR Chi-restraints excluded: chain B residue 3639 THR Chi-restraints excluded: chain B residue 3644 LEU Chi-restraints excluded: chain B residue 3646 THR Chi-restraints excluded: chain B residue 3651 ASN Chi-restraints excluded: chain B residue 3652 MET Chi-restraints excluded: chain B residue 3657 TYR Chi-restraints excluded: chain B residue 3661 TRP Chi-restraints excluded: chain B residue 3663 LEU Chi-restraints excluded: chain B residue 3665 GLU Chi-restraints excluded: chain B residue 3666 ASP Chi-restraints excluded: chain B residue 3676 ASP Chi-restraints excluded: chain B residue 3679 LYS Chi-restraints excluded: chain B residue 3697 PRO Chi-restraints excluded: chain B residue 3698 LEU Chi-restraints excluded: chain B residue 3702 VAL Chi-restraints excluded: chain B residue 3708 THR Chi-restraints excluded: chain B residue 3711 THR Chi-restraints excluded: chain B residue 3714 SER Chi-restraints excluded: chain B residue 3717 ASP Chi-restraints excluded: chain B residue 3718 GLU Chi-restraints excluded: chain B residue 3720 TYR Chi-restraints excluded: chain B residue 3725 TYR Chi-restraints excluded: chain B residue 3727 ASP Chi-restraints excluded: chain B residue 3753 PHE Chi-restraints excluded: chain B residue 3763 LEU Chi-restraints excluded: chain B residue 3773 ARG Chi-restraints excluded: chain B residue 3780 LEU Chi-restraints excluded: chain B residue 3786 CYS Chi-restraints excluded: chain B residue 3787 LYS Chi-restraints excluded: chain B residue 3790 THR Chi-restraints excluded: chain B residue 3796 SER Chi-restraints excluded: chain B residue 3797 THR Chi-restraints excluded: chain B residue 3798 LEU Chi-restraints excluded: chain B residue 3802 ILE Chi-restraints excluded: chain B residue 3811 GLU Chi-restraints excluded: chain B residue 3812 VAL Chi-restraints excluded: chain B residue 3816 MET Chi-restraints excluded: chain B residue 3822 ASP Chi-restraints excluded: chain B residue 3828 PHE Chi-restraints excluded: chain B residue 3836 MET Chi-restraints excluded: chain B residue 3838 THR Chi-restraints excluded: chain B residue 3843 ASP Chi-restraints excluded: chain B residue 3844 LEU Chi-restraints excluded: chain B residue 3847 PHE Chi-restraints excluded: chain B residue 3881 THR Chi-restraints excluded: chain B residue 3882 GLN Chi-restraints excluded: chain B residue 3883 ASP Chi-restraints excluded: chain B residue 3890 LEU Chi-restraints excluded: chain B residue 3891 LEU Chi-restraints excluded: chain B residue 3895 HIS Chi-restraints excluded: chain B residue 3900 GLN Chi-restraints excluded: chain B residue 3902 TYR Chi-restraints excluded: chain B residue 3907 THR Chi-restraints excluded: chain B residue 3909 ASN Chi-restraints excluded: chain B residue 3913 ILE Chi-restraints excluded: chain B residue 3915 ILE Chi-restraints excluded: chain B residue 3916 ILE Chi-restraints excluded: chain B residue 3917 ILE Chi-restraints excluded: chain B residue 3920 VAL Chi-restraints excluded: chain B residue 3924 LEU Chi-restraints excluded: chain B residue 3927 GLN Chi-restraints excluded: chain B residue 3928 GLU Chi-restraints excluded: chain B residue 3929 SER Chi-restraints excluded: chain B residue 3931 SER Chi-restraints excluded: chain B residue 3932 ASP Chi-restraints excluded: chain B residue 3937 TYR Chi-restraints excluded: chain B residue 3944 GLU Chi-restraints excluded: chain B residue 3946 GLN Chi-restraints excluded: chain B residue 3948 LYS Chi-restraints excluded: chain B residue 3953 LYS Chi-restraints excluded: chain B residue 3957 VAL Chi-restraints excluded: chain B residue 3959 LYS Chi-restraints excluded: chain B residue 3963 ASN Chi-restraints excluded: chain B residue 3964 SER Chi-restraints excluded: chain B residue 3974 THR Chi-restraints excluded: chain B residue 3979 SER Chi-restraints excluded: chain B residue 3982 HIS Chi-restraints excluded: chain B residue 3986 TRP Chi-restraints excluded: chain B residue 3987 ASP Chi-restraints excluded: chain B residue 3990 VAL Chi-restraints excluded: chain B residue 3993 LEU Chi-restraints excluded: chain B residue 3996 PHE Chi-restraints excluded: chain B residue 4013 LEU Chi-restraints excluded: chain B residue 4022 ASP Chi-restraints excluded: chain B residue 4023 MET Chi-restraints excluded: chain B residue 4025 VAL Chi-restraints excluded: chain B residue 4040 ILE Chi-restraints excluded: chain B residue 4044 MET Chi-restraints excluded: chain B residue 4045 VAL Chi-restraints excluded: chain B residue 4046 ASP Chi-restraints excluded: chain B residue 4049 VAL Chi-restraints excluded: chain B residue 4055 VAL Chi-restraints excluded: chain B residue 4058 ILE Chi-restraints excluded: chain B residue 4059 LEU Chi-restraints excluded: chain B residue 4063 ASP Chi-restraints excluded: chain B residue 4066 LEU Chi-restraints excluded: chain B residue 4071 ILE Chi-restraints excluded: chain B residue 4090 LYS Chi-restraints excluded: chain B residue 4095 LYS Chi-restraints excluded: chain B residue 4099 SER Chi-restraints excluded: chain B residue 4102 GLN Chi-restraints excluded: chain B residue 4109 GLN Chi-restraints excluded: chain B residue 4121 GLU Chi-restraints excluded: chain B residue 4134 GLU Chi-restraints excluded: chain B residue 4139 ILE Chi-restraints excluded: chain B residue 4142 ASN Chi-restraints excluded: chain B residue 4143 VAL Chi-restraints excluded: chain B residue 4145 VAL Chi-restraints excluded: chain B residue 4150 LEU Chi-restraints excluded: chain B residue 4151 SER Chi-restraints excluded: chain B residue 4157 ASP Chi-restraints excluded: chain B residue 4159 ARG Chi-restraints excluded: chain B residue 4160 LEU Chi-restraints excluded: chain B residue 4162 ASN Chi-restraints excluded: chain B residue 4164 LEU Chi-restraints excluded: chain B residue 4166 LEU Chi-restraints excluded: chain B residue 4178 LEU Chi-restraints excluded: chain B residue 4181 ILE Chi-restraints excluded: chain B residue 4190 ILE Chi-restraints excluded: chain B residue 4192 ARG Chi-restraints excluded: chain B residue 4195 PHE Chi-restraints excluded: chain B residue 4200 THR Chi-restraints excluded: chain B residue 4202 ARG Chi-restraints excluded: chain B residue 4205 TRP Chi-restraints excluded: chain B residue 4212 GLU Chi-restraints excluded: chain B residue 4237 PHE Chi-restraints excluded: chain B residue 4238 CYS Chi-restraints excluded: chain B residue 4244 GLU Chi-restraints excluded: chain B residue 4250 GLN Chi-restraints excluded: chain B residue 4251 ILE Chi-restraints excluded: chain B residue 4252 SER Chi-restraints excluded: chain B residue 4546 VAL Chi-restraints excluded: chain B residue 4547 GLN Chi-restraints excluded: chain B residue 4549 VAL Chi-restraints excluded: chain B residue 4558 ASN Chi-restraints excluded: chain B residue 4559 PHE Chi-restraints excluded: chain B residue 4563 ARG Chi-restraints excluded: chain B residue 4565 LEU Chi-restraints excluded: chain B residue 4571 PHE Chi-restraints excluded: chain B residue 4573 ILE Chi-restraints excluded: chain B residue 4575 PHE Chi-restraints excluded: chain B residue 4576 ILE Chi-restraints excluded: chain B residue 4577 LEU Chi-restraints excluded: chain B residue 4582 VAL Chi-restraints excluded: chain B residue 4630 TYR Chi-restraints excluded: chain B residue 4631 PHE Chi-restraints excluded: chain B residue 4632 LEU Chi-restraints excluded: chain B residue 4633 GLU Chi-restraints excluded: chain B residue 4635 SER Chi-restraints excluded: chain B residue 4638 TYR Chi-restraints excluded: chain B residue 4646 LEU Chi-restraints excluded: chain B residue 4648 LEU Chi-restraints excluded: chain B residue 4649 LEU Chi-restraints excluded: chain B residue 4651 THR Chi-restraints excluded: chain B residue 4652 LEU Chi-restraints excluded: chain B residue 4653 VAL Chi-restraints excluded: chain B residue 4656 LEU Chi-restraints excluded: chain B residue 4657 CYS Chi-restraints excluded: chain B residue 4663 CYS Chi-restraints excluded: chain B residue 4666 VAL Chi-restraints excluded: chain B residue 4668 LEU Chi-restraints excluded: chain B residue 4671 PHE Chi-restraints excluded: chain B residue 4674 GLU Chi-restraints excluded: chain B residue 4676 GLU Chi-restraints excluded: chain B residue 4677 LEU Chi-restraints excluded: chain B residue 4682 GLU Chi-restraints excluded: chain B residue 4684 ASP Chi-restraints excluded: chain B residue 4686 LEU Chi-restraints excluded: chain B residue 4688 ILE Chi-restraints excluded: chain B residue 4701 TRP Chi-restraints excluded: chain B residue 4710 SER Chi-restraints excluded: chain B residue 4723 LYS Chi-restraints excluded: chain B residue 4727 LYS Chi-restraints excluded: chain B residue 4731 ILE Chi-restraints excluded: chain B residue 4736 ARG Chi-restraints excluded: chain B residue 4739 GLU Chi-restraints excluded: chain B residue 4747 SER Chi-restraints excluded: chain B residue 4770 SER Chi-restraints excluded: chain B residue 4771 ILE Chi-restraints excluded: chain B residue 4774 LYS Chi-restraints excluded: chain B residue 4777 ILE Chi-restraints excluded: chain B residue 4780 PHE Chi-restraints excluded: chain B residue 4783 ILE Chi-restraints excluded: chain B residue 4786 ASP Chi-restraints excluded: chain B residue 4790 LEU Chi-restraints excluded: chain B residue 4794 TRP Chi-restraints excluded: chain B residue 4796 MET Chi-restraints excluded: chain B residue 4797 VAL Chi-restraints excluded: chain B residue 4800 LEU Chi-restraints excluded: chain B residue 4807 PHE Chi-restraints excluded: chain B residue 4808 PHE Chi-restraints excluded: chain B residue 4814 LEU Chi-restraints excluded: chain B residue 4818 MET Chi-restraints excluded: chain B residue 4822 THR Chi-restraints excluded: chain B residue 4827 LEU Chi-restraints excluded: chain B residue 4830 VAL Chi-restraints excluded: chain B residue 4836 GLN Chi-restraints excluded: chain B residue 4838 VAL Chi-restraints excluded: chain B residue 4843 LEU Chi-restraints excluded: chain B residue 4849 TYR Chi-restraints excluded: chain B residue 4854 VAL Chi-restraints excluded: chain B residue 4864 ASN Chi-restraints excluded: chain B residue 4867 GLU Chi-restraints excluded: chain B residue 4877 ASP Chi-restraints excluded: chain B residue 4886 HIS Chi-restraints excluded: chain B residue 4901 ILE Chi-restraints excluded: chain B residue 4904 PRO Chi-restraints excluded: chain B residue 4913 ARG Chi-restraints excluded: chain B residue 4915 VAL Chi-restraints excluded: chain B residue 4918 ILE Chi-restraints excluded: chain B residue 4919 THR Chi-restraints excluded: chain B residue 4920 PHE Chi-restraints excluded: chain B residue 4921 PHE Chi-restraints excluded: chain B residue 4931 ILE Chi-restraints excluded: chain B residue 4936 ILE Chi-restraints excluded: chain B residue 4945 ASP Chi-restraints excluded: chain B residue 4950 VAL Chi-restraints excluded: chain B residue 4960 ILE Chi-restraints excluded: chain B residue 4963 ILE Chi-restraints excluded: chain B residue 4977 THR Chi-restraints excluded: chain B residue 4983 HIS Chi-restraints excluded: chain B residue 4985 LEU Chi-restraints excluded: chain B residue 4990 PHE Chi-restraints excluded: chain B residue 4991 PHE Chi-restraints excluded: chain B residue 4994 TYR Chi-restraints excluded: chain B residue 4996 ILE Chi-restraints excluded: chain B residue 5008 SER Chi-restraints excluded: chain B residue 5010 VAL Chi-restraints excluded: chain B residue 5013 MET Chi-restraints excluded: chain B residue 5014 TYR Chi-restraints excluded: chain B residue 5016 GLU Chi-restraints excluded: chain B residue 5020 ASP Chi-restraints excluded: chain C residue 14 LEU Chi-restraints excluded: chain C residue 15 ARG Chi-restraints excluded: chain C residue 16 THR Chi-restraints excluded: chain C residue 17 ASP Chi-restraints excluded: chain C residue 18 ASP Chi-restraints excluded: chain C residue 19 GLU Chi-restraints excluded: chain C residue 29 LEU Chi-restraints excluded: chain C residue 35 LEU Chi-restraints excluded: chain C residue 40 GLU Chi-restraints excluded: chain C residue 44 ASN Chi-restraints excluded: chain C residue 49 LEU Chi-restraints excluded: chain C residue 52 THR Chi-restraints excluded: chain C residue 57 ASN Chi-restraints excluded: chain C residue 66 CYS Chi-restraints excluded: chain C residue 67 PHE Chi-restraints excluded: chain C residue 69 LEU Chi-restraints excluded: chain C residue 70 GLU Chi-restraints excluded: chain C residue 72 SER Chi-restraints excluded: chain C residue 73 LEU Chi-restraints excluded: chain C residue 74 SER Chi-restraints excluded: chain C residue 75 VAL Chi-restraints excluded: chain C residue 76 ARG Chi-restraints excluded: chain C residue 78 LEU Chi-restraints excluded: chain C residue 81 MET Chi-restraints excluded: chain C residue 100 THR Chi-restraints excluded: chain C residue 109 LEU Chi-restraints excluded: chain C residue 111 HIS Chi-restraints excluded: chain C residue 113 HIS Chi-restraints excluded: chain C residue 121 LEU Chi-restraints excluded: chain C residue 122 THR Chi-restraints excluded: chain C residue 123 THR Chi-restraints excluded: chain C residue 124 SER Chi-restraints excluded: chain C residue 133 PHE Chi-restraints excluded: chain C residue 134 ASP Chi-restraints excluded: chain C residue 135 VAL Chi-restraints excluded: chain C residue 142 THR Chi-restraints excluded: chain C residue 144 GLU Chi-restraints excluded: chain C residue 149 THR Chi-restraints excluded: chain C residue 152 PRO Chi-restraints excluded: chain C residue 156 GLN Chi-restraints excluded: chain C residue 163 VAL Chi-restraints excluded: chain C residue 165 VAL Chi-restraints excluded: chain C residue 169 LEU Chi-restraints excluded: chain C residue 173 SER Chi-restraints excluded: chain C residue 175 SER Chi-restraints excluded: chain C residue 179 TYR Chi-restraints excluded: chain C residue 181 HIS Chi-restraints excluded: chain C residue 183 SER Chi-restraints excluded: chain C residue 189 LEU Chi-restraints excluded: chain C residue 191 VAL Chi-restraints excluded: chain C residue 205 ILE Chi-restraints excluded: chain C residue 206 CYS Chi-restraints excluded: chain C residue 208 CYS Chi-restraints excluded: chain C residue 210 GLU Chi-restraints excluded: chain C residue 211 GLU Chi-restraints excluded: chain C residue 222 LEU Chi-restraints excluded: chain C residue 238 SER Chi-restraints excluded: chain C residue 244 LEU Chi-restraints excluded: chain C residue 246 TYR Chi-restraints excluded: chain C residue 247 TYR Chi-restraints excluded: chain C residue 257 ARG Chi-restraints excluded: chain C residue 262 LEU Chi-restraints excluded: chain C residue 270 SER Chi-restraints excluded: chain C residue 275 ARG Chi-restraints excluded: chain C residue 282 ILE Chi-restraints excluded: chain C residue 283 ARG Chi-restraints excluded: chain C residue 286 THR Chi-restraints excluded: chain C residue 293 LEU Chi-restraints excluded: chain C residue 294 THR Chi-restraints excluded: chain C residue 299 LEU Chi-restraints excluded: chain C residue 312 THR Chi-restraints excluded: chain C residue 313 SER Chi-restraints excluded: chain C residue 315 CYS Chi-restraints excluded: chain C residue 319 SER Chi-restraints excluded: chain C residue 339 ILE Chi-restraints excluded: chain C residue 343 GLU Chi-restraints excluded: chain C residue 345 LEU Chi-restraints excluded: chain C residue 357 LEU Chi-restraints excluded: chain C residue 358 THR Chi-restraints excluded: chain C residue 359 TYR Chi-restraints excluded: chain C residue 372 LEU Chi-restraints excluded: chain C residue 373 LYS Chi-restraints excluded: chain C residue 390 LEU Chi-restraints excluded: chain C residue 396 GLU Chi-restraints excluded: chain C residue 397 GLU Chi-restraints excluded: chain C residue 398 SER Chi-restraints excluded: chain C residue 403 MET Chi-restraints excluded: chain C residue 404 ILE Chi-restraints excluded: chain C residue 410 LEU Chi-restraints excluded: chain C residue 411 TYR Chi-restraints excluded: chain C residue 415 ILE Chi-restraints excluded: chain C residue 420 SER Chi-restraints excluded: chain C residue 438 ILE Chi-restraints excluded: chain C residue 439 GLU Chi-restraints excluded: chain C residue 452 PHE Chi-restraints excluded: chain C residue 455 PRO Chi-restraints excluded: chain C residue 459 LEU Chi-restraints excluded: chain C residue 469 ARG Chi-restraints excluded: chain C residue 475 GLN Chi-restraints excluded: chain C residue 483 MET Chi-restraints excluded: chain C residue 485 SER Chi-restraints excluded: chain C residue 486 LEU Chi-restraints excluded: chain C residue 487 VAL Chi-restraints excluded: chain C residue 488 LEU Chi-restraints excluded: chain C residue 491 ILE Chi-restraints excluded: chain C residue 497 TYR Chi-restraints excluded: chain C residue 506 TYR Chi-restraints excluded: chain C residue 510 GLU Chi-restraints excluded: chain C residue 513 GLU Chi-restraints excluded: chain C residue 514 SER Chi-restraints excluded: chain C residue 515 TRP Chi-restraints excluded: chain C residue 517 GLU Chi-restraints excluded: chain C residue 519 VAL Chi-restraints excluded: chain C residue 522 LEU Chi-restraints excluded: chain C residue 526 LEU Chi-restraints excluded: chain C residue 529 LEU Chi-restraints excluded: chain C residue 530 ILE Chi-restraints excluded: chain C residue 533 ASN Chi-restraints excluded: chain C residue 536 ASN Chi-restraints excluded: chain C residue 539 LEU Chi-restraints excluded: chain C residue 540 PHE Chi-restraints excluded: chain C residue 541 SER Chi-restraints excluded: chain C residue 547 VAL Chi-restraints excluded: chain C residue 561 LEU Chi-restraints excluded: chain C residue 563 VAL Chi-restraints excluded: chain C residue 564 LEU Chi-restraints excluded: chain C residue 569 ILE Chi-restraints excluded: chain C residue 571 SER Chi-restraints excluded: chain C residue 575 LEU Chi-restraints excluded: chain C residue 579 GLN Chi-restraints excluded: chain C residue 580 GLU Chi-restraints excluded: chain C residue 586 ILE Chi-restraints excluded: chain C residue 590 LEU Chi-restraints excluded: chain C residue 591 ASP Chi-restraints excluded: chain C residue 602 VAL Chi-restraints excluded: chain C residue 605 SER Chi-restraints excluded: chain C residue 609 CYS Chi-restraints excluded: chain C residue 614 VAL Chi-restraints excluded: chain C residue 621 ILE Chi-restraints excluded: chain C residue 622 THR Chi-restraints excluded: chain C residue 625 LEU Chi-restraints excluded: chain C residue 631 LEU Chi-restraints excluded: chain C residue 633 LEU Chi-restraints excluded: chain C residue 635 THR Chi-restraints excluded: chain C residue 638 ILE Chi-restraints excluded: chain C residue 642 THR Chi-restraints excluded: chain C residue 661 LYS Chi-restraints excluded: chain C residue 663 TYR Chi-restraints excluded: chain C residue 665 GLU Chi-restraints excluded: chain C residue 667 MET Chi-restraints excluded: chain C residue 669 ASP Chi-restraints excluded: chain C residue 672 VAL Chi-restraints excluded: chain C residue 676 THR Chi-restraints excluded: chain C residue 680 THR Chi-restraints excluded: chain C residue 682 LEU Chi-restraints excluded: chain C residue 690 GLU Chi-restraints excluded: chain C residue 695 TYR Chi-restraints excluded: chain C residue 702 TRP Chi-restraints excluded: chain C residue 709 ASP Chi-restraints excluded: chain C residue 710 ASP Chi-restraints excluded: chain C residue 712 TYR Chi-restraints excluded: chain C residue 714 TYR Chi-restraints excluded: chain C residue 719 LEU Chi-restraints excluded: chain C residue 735 GLN Chi-restraints excluded: chain C residue 743 VAL Chi-restraints excluded: chain C residue 748 LEU Chi-restraints excluded: chain C residue 751 SER Chi-restraints excluded: chain C residue 752 VAL Chi-restraints excluded: chain C residue 754 SER Chi-restraints excluded: chain C residue 756 SER Chi-restraints excluded: chain C residue 771 PHE Chi-restraints excluded: chain C residue 783 PHE Chi-restraints excluded: chain C residue 784 SER Chi-restraints excluded: chain C residue 797 HIS Chi-restraints excluded: chain C residue 801 LYS Chi-restraints excluded: chain C residue 802 PHE Chi-restraints excluded: chain C residue 815 VAL Chi-restraints excluded: chain C residue 822 ARG Chi-restraints excluded: chain C residue 839 LEU Chi-restraints excluded: chain C residue 840 VAL Chi-restraints excluded: chain C residue 862 VAL Chi-restraints excluded: chain C residue 869 ARG Chi-restraints excluded: chain C residue 886 ARG Chi-restraints excluded: chain C residue 896 VAL Chi-restraints excluded: chain C residue 900 ASN Chi-restraints excluded: chain C residue 910 PHE Chi-restraints excluded: chain C residue 922 LEU Chi-restraints excluded: chain C residue 923 GLN Chi-restraints excluded: chain C residue 925 SER Chi-restraints excluded: chain C residue 948 ASP Chi-restraints excluded: chain C residue 965 TYR Chi-restraints excluded: chain C residue 971 ASP Chi-restraints excluded: chain C residue 972 LEU Chi-restraints excluded: chain C residue 974 HIS Chi-restraints excluded: chain C residue 977 LEU Chi-restraints excluded: chain C residue 978 THR Chi-restraints excluded: chain C residue 1036 ARG Chi-restraints excluded: chain C residue 1045 THR Chi-restraints excluded: chain C residue 1072 VAL Chi-restraints excluded: chain C residue 1076 ARG Chi-restraints excluded: chain C residue 1078 GLU Chi-restraints excluded: chain C residue 1081 TYR Chi-restraints excluded: chain C residue 1087 ARG Chi-restraints excluded: chain C residue 1101 ARG Chi-restraints excluded: chain C residue 1108 GLU Chi-restraints excluded: chain C residue 1120 LEU Chi-restraints excluded: chain C residue 1127 HIS Chi-restraints excluded: chain C residue 1132 TRP Chi-restraints excluded: chain C residue 1133 HIS Chi-restraints excluded: chain C residue 1134 LEU Chi-restraints excluded: chain C residue 1139 PHE Chi-restraints excluded: chain C residue 1143 TRP Chi-restraints excluded: chain C residue 1153 ILE Chi-restraints excluded: chain C residue 1155 LEU Chi-restraints excluded: chain C residue 1158 ASN Chi-restraints excluded: chain C residue 1160 ILE Chi-restraints excluded: chain C residue 1163 THR Chi-restraints excluded: chain C residue 1169 LEU Chi-restraints excluded: chain C residue 1172 ASP Chi-restraints excluded: chain C residue 1184 ILE Chi-restraints excluded: chain C residue 1191 VAL Chi-restraints excluded: chain C residue 1201 HIS Chi-restraints excluded: chain C residue 1203 ASN Chi-restraints excluded: chain C residue 1204 LEU Chi-restraints excluded: chain C residue 1209 SER Chi-restraints excluded: chain C residue 1219 LEU Chi-restraints excluded: chain C residue 1226 PHE Chi-restraints excluded: chain C residue 1235 THR Chi-restraints excluded: chain C residue 1240 LYS Chi-restraints excluded: chain C residue 1242 LEU Chi-restraints excluded: chain C residue 1244 GLN Chi-restraints excluded: chain C residue 1248 VAL Chi-restraints excluded: chain C residue 1251 GLU Chi-restraints excluded: chain C residue 1254 HIS Chi-restraints excluded: chain C residue 1266 THR Chi-restraints excluded: chain C residue 1272 LEU Chi-restraints excluded: chain C residue 1575 LEU Chi-restraints excluded: chain C residue 1590 GLN Chi-restraints excluded: chain C residue 1597 VAL Chi-restraints excluded: chain C residue 1600 LEU Chi-restraints excluded: chain C residue 1601 MET Chi-restraints excluded: chain C residue 1605 TRP Chi-restraints excluded: chain C residue 1613 LEU Chi-restraints excluded: chain C residue 1630 CYS Chi-restraints excluded: chain C residue 1636 MET Chi-restraints excluded: chain C residue 1639 LEU Chi-restraints excluded: chain C residue 1641 ILE Chi-restraints excluded: chain C residue 1648 MET Chi-restraints excluded: chain C residue 1649 ASP Chi-restraints excluded: chain C residue 1652 GLU Chi-restraints excluded: chain C residue 1654 SER Chi-restraints excluded: chain C residue 1657 LEU Chi-restraints excluded: chain C residue 1658 ASP Chi-restraints excluded: chain C residue 1661 ARG Chi-restraints excluded: chain C residue 1666 THR Chi-restraints excluded: chain C residue 1673 VAL Chi-restraints excluded: chain C residue 1679 ASN Chi-restraints excluded: chain C residue 1680 ARG Chi-restraints excluded: chain C residue 1686 CYS Chi-restraints excluded: chain C residue 1694 LEU Chi-restraints excluded: chain C residue 1695 LEU Chi-restraints excluded: chain C residue 1699 GLU Chi-restraints excluded: chain C residue 1700 ASP Chi-restraints excluded: chain C residue 1703 LEU Chi-restraints excluded: chain C residue 1707 LEU Chi-restraints excluded: chain C residue 1713 ASP Chi-restraints excluded: chain C residue 1720 LEU Chi-restraints excluded: chain C residue 1721 GLU Chi-restraints excluded: chain C residue 1731 LEU Chi-restraints excluded: chain C residue 1738 LEU Chi-restraints excluded: chain C residue 1739 THR Chi-restraints excluded: chain C residue 1743 ARG Chi-restraints excluded: chain C residue 1760 HIS Chi-restraints excluded: chain C residue 1768 THR Chi-restraints excluded: chain C residue 1770 SER Chi-restraints excluded: chain C residue 1772 ARG Chi-restraints excluded: chain C residue 1778 SER Chi-restraints excluded: chain C residue 1782 PHE Chi-restraints excluded: chain C residue 1797 ARG Chi-restraints excluded: chain C residue 1798 LEU Chi-restraints excluded: chain C residue 1810 LYS Chi-restraints excluded: chain C residue 1813 ARG Chi-restraints excluded: chain C residue 1819 VAL Chi-restraints excluded: chain C residue 1844 LEU Chi-restraints excluded: chain C residue 1848 LEU Chi-restraints excluded: chain C residue 1850 VAL Chi-restraints excluded: chain C residue 1853 ILE Chi-restraints excluded: chain C residue 1856 ASP Chi-restraints excluded: chain C residue 1857 GLU Chi-restraints excluded: chain C residue 1861 GLN Chi-restraints excluded: chain C residue 1863 LEU Chi-restraints excluded: chain C residue 1870 VAL Chi-restraints excluded: chain C residue 1928 GLN Chi-restraints excluded: chain C residue 1934 SER Chi-restraints excluded: chain C residue 1935 VAL Chi-restraints excluded: chain C residue 1939 MET Chi-restraints excluded: chain C residue 1942 LEU Chi-restraints excluded: chain C residue 1943 LEU Chi-restraints excluded: chain C residue 1947 CYS Chi-restraints excluded: chain C residue 1951 LEU Chi-restraints excluded: chain C residue 1958 LEU Chi-restraints excluded: chain C residue 1963 GLU Chi-restraints excluded: chain C residue 1964 ARG Chi-restraints excluded: chain C residue 1966 VAL Chi-restraints excluded: chain C residue 1968 LYS Chi-restraints excluded: chain C residue 1976 ARG Chi-restraints excluded: chain C residue 1996 ARG Chi-restraints excluded: chain C residue 1997 GLU Chi-restraints excluded: chain C residue 2011 HIS Chi-restraints excluded: chain C residue 2030 ASP Chi-restraints excluded: chain C residue 2031 LEU Chi-restraints excluded: chain C residue 2034 PHE Chi-restraints excluded: chain C residue 2035 HIS Chi-restraints excluded: chain C residue 2095 GLN Chi-restraints excluded: chain C residue 2098 VAL Chi-restraints excluded: chain C residue 2101 MET Chi-restraints excluded: chain C residue 2102 VAL Chi-restraints excluded: chain C residue 2103 VAL Chi-restraints excluded: chain C residue 2104 ARG Chi-restraints excluded: chain C residue 2115 GLU Chi-restraints excluded: chain C residue 2117 VAL Chi-restraints excluded: chain C residue 2118 ARG Chi-restraints excluded: chain C residue 2120 MET Chi-restraints excluded: chain C residue 2122 SER Chi-restraints excluded: chain C residue 2125 HIS Chi-restraints excluded: chain C residue 2128 TYR Chi-restraints excluded: chain C residue 2138 LEU Chi-restraints excluded: chain C residue 2143 THR Chi-restraints excluded: chain C residue 2145 SER Chi-restraints excluded: chain C residue 2148 SER Chi-restraints excluded: chain C residue 2150 GLU Chi-restraints excluded: chain C residue 2155 LEU Chi-restraints excluded: chain C residue 2164 SER Chi-restraints excluded: chain C residue 2166 LEU Chi-restraints excluded: chain C residue 2169 GLN Chi-restraints excluded: chain C residue 2184 ASN Chi-restraints excluded: chain C residue 2185 ILE Chi-restraints excluded: chain C residue 2187 ASN Chi-restraints excluded: chain C residue 2189 LYS Chi-restraints excluded: chain C residue 2193 GLN Chi-restraints excluded: chain C residue 2197 LEU Chi-restraints excluded: chain C residue 2203 MET Chi-restraints excluded: chain C residue 2207 VAL Chi-restraints excluded: chain C residue 2225 PHE Chi-restraints excluded: chain C residue 2228 MET Chi-restraints excluded: chain C residue 2229 VAL Chi-restraints excluded: chain C residue 2231 SER Chi-restraints excluded: chain C residue 2232 CYS Chi-restraints excluded: chain C residue 2237 CYS Chi-restraints excluded: chain C residue 2245 GLN Chi-restraints excluded: chain C residue 2246 ASN Chi-restraints excluded: chain C residue 2248 ARG Chi-restraints excluded: chain C residue 2254 LEU Chi-restraints excluded: chain C residue 2256 TYR Chi-restraints excluded: chain C residue 2258 LEU Chi-restraints excluded: chain C residue 2260 ASN Chi-restraints excluded: chain C residue 2274 ASP Chi-restraints excluded: chain C residue 2275 VAL Chi-restraints excluded: chain C residue 2279 SER Chi-restraints excluded: chain C residue 2280 VAL Chi-restraints excluded: chain C residue 2292 GLU Chi-restraints excluded: chain C residue 2298 VAL Chi-restraints excluded: chain C residue 2330 ARG Chi-restraints excluded: chain C residue 2334 PHE Chi-restraints excluded: chain C residue 2339 VAL Chi-restraints excluded: chain C residue 2340 PHE Chi-restraints excluded: chain C residue 2346 VAL Chi-restraints excluded: chain C residue 2348 GLU Chi-restraints excluded: chain C residue 2349 ASN Chi-restraints excluded: chain C residue 2353 VAL Chi-restraints excluded: chain C residue 2354 VAL Chi-restraints excluded: chain C residue 2356 LEU Chi-restraints excluded: chain C residue 2357 LEU Chi-restraints excluded: chain C residue 2368 LEU Chi-restraints excluded: chain C residue 2376 LEU Chi-restraints excluded: chain C residue 2377 LEU Chi-restraints excluded: chain C residue 2380 ILE Chi-restraints excluded: chain C residue 2418 LEU Chi-restraints excluded: chain C residue 2432 LEU Chi-restraints excluded: chain C residue 2433 LEU Chi-restraints excluded: chain C residue 2449 GLU Chi-restraints excluded: chain C residue 2451 LEU Chi-restraints excluded: chain C residue 2454 ARG Chi-restraints excluded: chain C residue 2457 LEU Chi-restraints excluded: chain C residue 2460 LEU Chi-restraints excluded: chain C residue 2463 LEU Chi-restraints excluded: chain C residue 2466 LEU Chi-restraints excluded: chain C residue 2472 LEU Chi-restraints excluded: chain C residue 2747 ILE Chi-restraints excluded: chain C residue 2752 ASP Chi-restraints excluded: chain C residue 2756 ASN Chi-restraints excluded: chain C residue 2766 TRP Chi-restraints excluded: chain C residue 2773 ASN Chi-restraints excluded: chain C residue 2792 ARG Chi-restraints excluded: chain C residue 2796 THR Chi-restraints excluded: chain C residue 2799 GLU Chi-restraints excluded: chain C residue 2816 MET Chi-restraints excluded: chain C residue 2821 TRP Chi-restraints excluded: chain C residue 2827 ARG Chi-restraints excluded: chain C residue 2855 TYR Chi-restraints excluded: chain C residue 2856 ASN Chi-restraints excluded: chain C residue 2867 LEU Chi-restraints excluded: chain C residue 2868 SER Chi-restraints excluded: chain C residue 2881 ASN Chi-restraints excluded: chain C residue 2888 ARG Chi-restraints excluded: chain C residue 2889 LYS Chi-restraints excluded: chain C residue 2905 LEU Chi-restraints excluded: chain C residue 2906 VAL Chi-restraints excluded: chain C residue 2910 THR Chi-restraints excluded: chain C residue 2911 LEU Chi-restraints excluded: chain C residue 2929 PHE Chi-restraints excluded: chain C residue 2935 TYR Chi-restraints excluded: chain C residue 2938 THR Chi-restraints excluded: chain C residue 3639 THR Chi-restraints excluded: chain C residue 3644 LEU Chi-restraints excluded: chain C residue 3646 THR Chi-restraints excluded: chain C residue 3651 ASN Chi-restraints excluded: chain C residue 3652 MET Chi-restraints excluded: chain C residue 3657 TYR Chi-restraints excluded: chain C residue 3661 TRP Chi-restraints excluded: chain C residue 3663 LEU Chi-restraints excluded: chain C residue 3665 GLU Chi-restraints excluded: chain C residue 3666 ASP Chi-restraints excluded: chain C residue 3669 PHE Chi-restraints excluded: chain C residue 3676 ASP Chi-restraints excluded: chain C residue 3679 LYS Chi-restraints excluded: chain C residue 3697 PRO Chi-restraints excluded: chain C residue 3698 LEU Chi-restraints excluded: chain C residue 3702 VAL Chi-restraints excluded: chain C residue 3708 THR Chi-restraints excluded: chain C residue 3711 THR Chi-restraints excluded: chain C residue 3714 SER Chi-restraints excluded: chain C residue 3717 ASP Chi-restraints excluded: chain C residue 3720 TYR Chi-restraints excluded: chain C residue 3725 TYR Chi-restraints excluded: chain C residue 3727 ASP Chi-restraints excluded: chain C residue 3753 PHE Chi-restraints excluded: chain C residue 3759 GLU Chi-restraints excluded: chain C residue 3763 LEU Chi-restraints excluded: chain C residue 3773 ARG Chi-restraints excluded: chain C residue 3780 LEU Chi-restraints excluded: chain C residue 3786 CYS Chi-restraints excluded: chain C residue 3787 LYS Chi-restraints excluded: chain C residue 3790 THR Chi-restraints excluded: chain C residue 3796 SER Chi-restraints excluded: chain C residue 3797 THR Chi-restraints excluded: chain C residue 3798 LEU Chi-restraints excluded: chain C residue 3802 ILE Chi-restraints excluded: chain C residue 3811 GLU Chi-restraints excluded: chain C residue 3816 MET Chi-restraints excluded: chain C residue 3822 ASP Chi-restraints excluded: chain C residue 3828 PHE Chi-restraints excluded: chain C residue 3836 MET Chi-restraints excluded: chain C residue 3838 THR Chi-restraints excluded: chain C residue 3842 LEU Chi-restraints excluded: chain C residue 3843 ASP Chi-restraints excluded: chain C residue 3844 LEU Chi-restraints excluded: chain C residue 3847 PHE Chi-restraints excluded: chain C residue 3881 THR Chi-restraints excluded: chain C residue 3882 GLN Chi-restraints excluded: chain C residue 3883 ASP Chi-restraints excluded: chain C residue 3891 LEU Chi-restraints excluded: chain C residue 3895 HIS Chi-restraints excluded: chain C residue 3900 GLN Chi-restraints excluded: chain C residue 3902 TYR Chi-restraints excluded: chain C residue 3907 THR Chi-restraints excluded: chain C residue 3909 ASN Chi-restraints excluded: chain C residue 3913 ILE Chi-restraints excluded: chain C residue 3915 ILE Chi-restraints excluded: chain C residue 3916 ILE Chi-restraints excluded: chain C residue 3917 ILE Chi-restraints excluded: chain C residue 3920 VAL Chi-restraints excluded: chain C residue 3924 LEU Chi-restraints excluded: chain C residue 3927 GLN Chi-restraints excluded: chain C residue 3928 GLU Chi-restraints excluded: chain C residue 3929 SER Chi-restraints excluded: chain C residue 3931 SER Chi-restraints excluded: chain C residue 3932 ASP Chi-restraints excluded: chain C residue 3937 TYR Chi-restraints excluded: chain C residue 3944 GLU Chi-restraints excluded: chain C residue 3946 GLN Chi-restraints excluded: chain C residue 3948 LYS Chi-restraints excluded: chain C residue 3953 LYS Chi-restraints excluded: chain C residue 3957 VAL Chi-restraints excluded: chain C residue 3959 LYS Chi-restraints excluded: chain C residue 3963 ASN Chi-restraints excluded: chain C residue 3964 SER Chi-restraints excluded: chain C residue 3974 THR Chi-restraints excluded: chain C residue 3979 SER Chi-restraints excluded: chain C residue 3982 HIS Chi-restraints excluded: chain C residue 3986 TRP Chi-restraints excluded: chain C residue 3987 ASP Chi-restraints excluded: chain C residue 3990 VAL Chi-restraints excluded: chain C residue 3996 PHE Chi-restraints excluded: chain C residue 4011 GLU Chi-restraints excluded: chain C residue 4013 LEU Chi-restraints excluded: chain C residue 4022 ASP Chi-restraints excluded: chain C residue 4023 MET Chi-restraints excluded: chain C residue 4025 VAL Chi-restraints excluded: chain C residue 4035 VAL Chi-restraints excluded: chain C residue 4040 ILE Chi-restraints excluded: chain C residue 4044 MET Chi-restraints excluded: chain C residue 4045 VAL Chi-restraints excluded: chain C residue 4046 ASP Chi-restraints excluded: chain C residue 4049 VAL Chi-restraints excluded: chain C residue 4055 VAL Chi-restraints excluded: chain C residue 4058 ILE Chi-restraints excluded: chain C residue 4059 LEU Chi-restraints excluded: chain C residue 4063 ASP Chi-restraints excluded: chain C residue 4066 LEU Chi-restraints excluded: chain C residue 4070 ASP Chi-restraints excluded: chain C residue 4071 ILE Chi-restraints excluded: chain C residue 4088 ILE Chi-restraints excluded: chain C residue 4090 LYS Chi-restraints excluded: chain C residue 4095 LYS Chi-restraints excluded: chain C residue 4099 SER Chi-restraints excluded: chain C residue 4102 GLN Chi-restraints excluded: chain C residue 4109 GLN Chi-restraints excluded: chain C residue 4121 GLU Chi-restraints excluded: chain C residue 4134 GLU Chi-restraints excluded: chain C residue 4139 ILE Chi-restraints excluded: chain C residue 4142 ASN Chi-restraints excluded: chain C residue 4143 VAL Chi-restraints excluded: chain C residue 4145 VAL Chi-restraints excluded: chain C residue 4150 LEU Chi-restraints excluded: chain C residue 4151 SER Chi-restraints excluded: chain C residue 4153 HIS Chi-restraints excluded: chain C residue 4157 ASP Chi-restraints excluded: chain C residue 4159 ARG Chi-restraints excluded: chain C residue 4160 LEU Chi-restraints excluded: chain C residue 4162 ASN Chi-restraints excluded: chain C residue 4164 LEU Chi-restraints excluded: chain C residue 4166 LEU Chi-restraints excluded: chain C residue 4171 LEU Chi-restraints excluded: chain C residue 4178 LEU Chi-restraints excluded: chain C residue 4180 ARG Chi-restraints excluded: chain C residue 4181 ILE Chi-restraints excluded: chain C residue 4190 ILE Chi-restraints excluded: chain C residue 4192 ARG Chi-restraints excluded: chain C residue 4195 PHE Chi-restraints excluded: chain C residue 4200 THR Chi-restraints excluded: chain C residue 4202 ARG Chi-restraints excluded: chain C residue 4205 TRP Chi-restraints excluded: chain C residue 4206 GLU Chi-restraints excluded: chain C residue 4212 GLU Chi-restraints excluded: chain C residue 4237 PHE Chi-restraints excluded: chain C residue 4238 CYS Chi-restraints excluded: chain C residue 4244 GLU Chi-restraints excluded: chain C residue 4250 GLN Chi-restraints excluded: chain C residue 4251 ILE Chi-restraints excluded: chain C residue 4252 SER Chi-restraints excluded: chain C residue 4546 VAL Chi-restraints excluded: chain C residue 4547 GLN Chi-restraints excluded: chain C residue 4549 VAL Chi-restraints excluded: chain C residue 4558 ASN Chi-restraints excluded: chain C residue 4559 PHE Chi-restraints excluded: chain C residue 4563 ARG Chi-restraints excluded: chain C residue 4565 LEU Chi-restraints excluded: chain C residue 4571 PHE Chi-restraints excluded: chain C residue 4573 ILE Chi-restraints excluded: chain C residue 4575 PHE Chi-restraints excluded: chain C residue 4576 ILE Chi-restraints excluded: chain C residue 4577 LEU Chi-restraints excluded: chain C residue 4578 LEU Chi-restraints excluded: chain C residue 4582 VAL Chi-restraints excluded: chain C residue 4630 TYR Chi-restraints excluded: chain C residue 4631 PHE Chi-restraints excluded: chain C residue 4632 LEU Chi-restraints excluded: chain C residue 4635 SER Chi-restraints excluded: chain C residue 4638 TYR Chi-restraints excluded: chain C residue 4646 LEU Chi-restraints excluded: chain C residue 4648 LEU Chi-restraints excluded: chain C residue 4649 LEU Chi-restraints excluded: chain C residue 4651 THR Chi-restraints excluded: chain C residue 4652 LEU Chi-restraints excluded: chain C residue 4653 VAL Chi-restraints excluded: chain C residue 4656 LEU Chi-restraints excluded: chain C residue 4657 CYS Chi-restraints excluded: chain C residue 4663 CYS Chi-restraints excluded: chain C residue 4666 VAL Chi-restraints excluded: chain C residue 4668 LEU Chi-restraints excluded: chain C residue 4671 PHE Chi-restraints excluded: chain C residue 4674 GLU Chi-restraints excluded: chain C residue 4676 GLU Chi-restraints excluded: chain C residue 4677 LEU Chi-restraints excluded: chain C residue 4682 GLU Chi-restraints excluded: chain C residue 4684 ASP Chi-restraints excluded: chain C residue 4686 LEU Chi-restraints excluded: chain C residue 4688 ILE Chi-restraints excluded: chain C residue 4701 TRP Chi-restraints excluded: chain C residue 4710 SER Chi-restraints excluded: chain C residue 4714 ASN Chi-restraints excluded: chain C residue 4723 LYS Chi-restraints excluded: chain C residue 4727 LYS Chi-restraints excluded: chain C residue 4731 ILE Chi-restraints excluded: chain C residue 4739 GLU Chi-restraints excluded: chain C residue 4743 MET Chi-restraints excluded: chain C residue 4747 SER Chi-restraints excluded: chain C residue 4770 SER Chi-restraints excluded: chain C residue 4771 ILE Chi-restraints excluded: chain C residue 4774 LYS Chi-restraints excluded: chain C residue 4777 ILE Chi-restraints excluded: chain C residue 4780 PHE Chi-restraints excluded: chain C residue 4783 ILE Chi-restraints excluded: chain C residue 4786 ASP Chi-restraints excluded: chain C residue 4790 LEU Chi-restraints excluded: chain C residue 4791 TYR Chi-restraints excluded: chain C residue 4794 TRP Chi-restraints excluded: chain C residue 4797 VAL Chi-restraints excluded: chain C residue 4800 LEU Chi-restraints excluded: chain C residue 4807 PHE Chi-restraints excluded: chain C residue 4814 LEU Chi-restraints excluded: chain C residue 4818 MET Chi-restraints excluded: chain C residue 4822 THR Chi-restraints excluded: chain C residue 4827 LEU Chi-restraints excluded: chain C residue 4830 VAL Chi-restraints excluded: chain C residue 4836 GLN Chi-restraints excluded: chain C residue 4838 VAL Chi-restraints excluded: chain C residue 4849 TYR Chi-restraints excluded: chain C residue 4852 THR Chi-restraints excluded: chain C residue 4854 VAL Chi-restraints excluded: chain C residue 4864 ASN Chi-restraints excluded: chain C residue 4867 GLU Chi-restraints excluded: chain C residue 4877 ASP Chi-restraints excluded: chain C residue 4886 HIS Chi-restraints excluded: chain C residue 4901 ILE Chi-restraints excluded: chain C residue 4904 PRO Chi-restraints excluded: chain C residue 4913 ARG Chi-restraints excluded: chain C residue 4915 VAL Chi-restraints excluded: chain C residue 4918 ILE Chi-restraints excluded: chain C residue 4919 THR Chi-restraints excluded: chain C residue 4920 PHE Chi-restraints excluded: chain C residue 4921 PHE Chi-restraints excluded: chain C residue 4922 PHE Chi-restraints excluded: chain C residue 4931 ILE Chi-restraints excluded: chain C residue 4936 ILE Chi-restraints excluded: chain C residue 4945 ASP Chi-restraints excluded: chain C residue 4950 VAL Chi-restraints excluded: chain C residue 4960 ILE Chi-restraints excluded: chain C residue 4963 ILE Chi-restraints excluded: chain C residue 4966 ASP Chi-restraints excluded: chain C residue 4983 HIS Chi-restraints excluded: chain C residue 4985 LEU Chi-restraints excluded: chain C residue 4990 PHE Chi-restraints excluded: chain C residue 4991 PHE Chi-restraints excluded: chain C residue 4994 TYR Chi-restraints excluded: chain C residue 4998 LYS Chi-restraints excluded: chain C residue 5004 THR Chi-restraints excluded: chain C residue 5010 VAL Chi-restraints excluded: chain C residue 5013 MET Chi-restraints excluded: chain C residue 5014 TYR Chi-restraints excluded: chain C residue 5016 GLU Chi-restraints excluded: chain C residue 5020 ASP Chi-restraints excluded: chain C residue 5027 CYS Chi-restraints excluded: chain D residue 12 GLN Chi-restraints excluded: chain D residue 14 LEU Chi-restraints excluded: chain D residue 15 ARG Chi-restraints excluded: chain D residue 16 THR Chi-restraints excluded: chain D residue 17 ASP Chi-restraints excluded: chain D residue 18 ASP Chi-restraints excluded: chain D residue 19 GLU Chi-restraints excluded: chain D residue 29 LEU Chi-restraints excluded: chain D residue 35 LEU Chi-restraints excluded: chain D residue 40 GLU Chi-restraints excluded: chain D residue 44 ASN Chi-restraints excluded: chain D residue 49 LEU Chi-restraints excluded: chain D residue 57 ASN Chi-restraints excluded: chain D residue 66 CYS Chi-restraints excluded: chain D residue 67 PHE Chi-restraints excluded: chain D residue 69 LEU Chi-restraints excluded: chain D residue 70 GLU Chi-restraints excluded: chain D residue 72 SER Chi-restraints excluded: chain D residue 73 LEU Chi-restraints excluded: chain D residue 74 SER Chi-restraints excluded: chain D residue 75 VAL Chi-restraints excluded: chain D residue 76 ARG Chi-restraints excluded: chain D residue 78 LEU Chi-restraints excluded: chain D residue 81 MET Chi-restraints excluded: chain D residue 100 THR Chi-restraints excluded: chain D residue 109 LEU Chi-restraints excluded: chain D residue 111 HIS Chi-restraints excluded: chain D residue 113 HIS Chi-restraints excluded: chain D residue 121 LEU Chi-restraints excluded: chain D residue 122 THR Chi-restraints excluded: chain D residue 123 THR Chi-restraints excluded: chain D residue 124 SER Chi-restraints excluded: chain D residue 133 PHE Chi-restraints excluded: chain D residue 134 ASP Chi-restraints excluded: chain D residue 135 VAL Chi-restraints excluded: chain D residue 142 THR Chi-restraints excluded: chain D residue 144 GLU Chi-restraints excluded: chain D residue 149 THR Chi-restraints excluded: chain D residue 152 PRO Chi-restraints excluded: chain D residue 156 GLN Chi-restraints excluded: chain D residue 163 VAL Chi-restraints excluded: chain D residue 165 VAL Chi-restraints excluded: chain D residue 167 ASP Chi-restraints excluded: chain D residue 169 LEU Chi-restraints excluded: chain D residue 173 SER Chi-restraints excluded: chain D residue 175 SER Chi-restraints excluded: chain D residue 179 TYR Chi-restraints excluded: chain D residue 181 HIS Chi-restraints excluded: chain D residue 183 SER Chi-restraints excluded: chain D residue 189 LEU Chi-restraints excluded: chain D residue 191 VAL Chi-restraints excluded: chain D residue 205 ILE Chi-restraints excluded: chain D residue 206 CYS Chi-restraints excluded: chain D residue 208 CYS Chi-restraints excluded: chain D residue 210 GLU Chi-restraints excluded: chain D residue 211 GLU Chi-restraints excluded: chain D residue 222 LEU Chi-restraints excluded: chain D residue 238 SER Chi-restraints excluded: chain D residue 244 LEU Chi-restraints excluded: chain D residue 246 TYR Chi-restraints excluded: chain D residue 247 TYR Chi-restraints excluded: chain D residue 257 ARG Chi-restraints excluded: chain D residue 262 LEU Chi-restraints excluded: chain D residue 270 SER Chi-restraints excluded: chain D residue 275 ARG Chi-restraints excluded: chain D residue 283 ARG Chi-restraints excluded: chain D residue 286 THR Chi-restraints excluded: chain D residue 293 LEU Chi-restraints excluded: chain D residue 299 LEU Chi-restraints excluded: chain D residue 312 THR Chi-restraints excluded: chain D residue 313 SER Chi-restraints excluded: chain D residue 315 CYS Chi-restraints excluded: chain D residue 339 ILE Chi-restraints excluded: chain D residue 343 GLU Chi-restraints excluded: chain D residue 357 LEU Chi-restraints excluded: chain D residue 359 TYR Chi-restraints excluded: chain D residue 372 LEU Chi-restraints excluded: chain D residue 373 LYS Chi-restraints excluded: chain D residue 390 LEU Chi-restraints excluded: chain D residue 394 GLN Chi-restraints excluded: chain D residue 396 GLU Chi-restraints excluded: chain D residue 397 GLU Chi-restraints excluded: chain D residue 398 SER Chi-restraints excluded: chain D residue 403 MET Chi-restraints excluded: chain D residue 410 LEU Chi-restraints excluded: chain D residue 411 TYR Chi-restraints excluded: chain D residue 415 ILE Chi-restraints excluded: chain D residue 420 SER Chi-restraints excluded: chain D residue 438 ILE Chi-restraints excluded: chain D residue 439 GLU Chi-restraints excluded: chain D residue 452 PHE Chi-restraints excluded: chain D residue 453 GLU Chi-restraints excluded: chain D residue 460 GLN Chi-restraints excluded: chain D residue 462 GLU Chi-restraints excluded: chain D residue 463 GLU Chi-restraints excluded: chain D residue 469 ARG Chi-restraints excluded: chain D residue 475 GLN Chi-restraints excluded: chain D residue 483 MET Chi-restraints excluded: chain D residue 485 SER Chi-restraints excluded: chain D residue 486 LEU Chi-restraints excluded: chain D residue 487 VAL Chi-restraints excluded: chain D residue 488 LEU Chi-restraints excluded: chain D residue 491 ILE Chi-restraints excluded: chain D residue 497 TYR Chi-restraints excluded: chain D residue 506 TYR Chi-restraints excluded: chain D residue 510 GLU Chi-restraints excluded: chain D residue 513 GLU Chi-restraints excluded: chain D residue 514 SER Chi-restraints excluded: chain D residue 515 TRP Chi-restraints excluded: chain D residue 517 GLU Chi-restraints excluded: chain D residue 519 VAL Chi-restraints excluded: chain D residue 522 LEU Chi-restraints excluded: chain D residue 526 LEU Chi-restraints excluded: chain D residue 529 LEU Chi-restraints excluded: chain D residue 530 ILE Chi-restraints excluded: chain D residue 533 ASN Chi-restraints excluded: chain D residue 536 ASN Chi-restraints excluded: chain D residue 539 LEU Chi-restraints excluded: chain D residue 540 PHE Chi-restraints excluded: chain D residue 541 SER Chi-restraints excluded: chain D residue 547 VAL Chi-restraints excluded: chain D residue 561 LEU Chi-restraints excluded: chain D residue 563 VAL Chi-restraints excluded: chain D residue 564 LEU Chi-restraints excluded: chain D residue 569 ILE Chi-restraints excluded: chain D residue 571 SER Chi-restraints excluded: chain D residue 575 LEU Chi-restraints excluded: chain D residue 579 GLN Chi-restraints excluded: chain D residue 580 GLU Chi-restraints excluded: chain D residue 586 ILE Chi-restraints excluded: chain D residue 590 LEU Chi-restraints excluded: chain D residue 591 ASP Chi-restraints excluded: chain D residue 602 VAL Chi-restraints excluded: chain D residue 605 SER Chi-restraints excluded: chain D residue 609 CYS Chi-restraints excluded: chain D residue 614 VAL Chi-restraints excluded: chain D residue 621 ILE Chi-restraints excluded: chain D residue 622 THR Chi-restraints excluded: chain D residue 625 LEU Chi-restraints excluded: chain D residue 631 LEU Chi-restraints excluded: chain D residue 633 LEU Chi-restraints excluded: chain D residue 635 THR Chi-restraints excluded: chain D residue 638 ILE Chi-restraints excluded: chain D residue 642 THR Chi-restraints excluded: chain D residue 661 LYS Chi-restraints excluded: chain D residue 663 TYR Chi-restraints excluded: chain D residue 665 GLU Chi-restraints excluded: chain D residue 667 MET Chi-restraints excluded: chain D residue 669 ASP Chi-restraints excluded: chain D residue 672 VAL Chi-restraints excluded: chain D residue 676 THR Chi-restraints excluded: chain D residue 680 THR Chi-restraints excluded: chain D residue 681 HIS Chi-restraints excluded: chain D residue 682 LEU Chi-restraints excluded: chain D residue 690 GLU Chi-restraints excluded: chain D residue 695 TYR Chi-restraints excluded: chain D residue 702 TRP Chi-restraints excluded: chain D residue 709 ASP Chi-restraints excluded: chain D residue 710 ASP Chi-restraints excluded: chain D residue 712 TYR Chi-restraints excluded: chain D residue 714 TYR Chi-restraints excluded: chain D residue 719 LEU Chi-restraints excluded: chain D residue 743 VAL Chi-restraints excluded: chain D residue 748 LEU Chi-restraints excluded: chain D residue 749 ASP Chi-restraints excluded: chain D residue 751 SER Chi-restraints excluded: chain D residue 752 VAL Chi-restraints excluded: chain D residue 754 SER Chi-restraints excluded: chain D residue 756 SER Chi-restraints excluded: chain D residue 771 PHE Chi-restraints excluded: chain D residue 783 PHE Chi-restraints excluded: chain D residue 797 HIS Chi-restraints excluded: chain D residue 801 LYS Chi-restraints excluded: chain D residue 802 PHE Chi-restraints excluded: chain D residue 815 VAL Chi-restraints excluded: chain D residue 822 ARG Chi-restraints excluded: chain D residue 839 LEU Chi-restraints excluded: chain D residue 840 VAL Chi-restraints excluded: chain D residue 869 ARG Chi-restraints excluded: chain D residue 886 ARG Chi-restraints excluded: chain D residue 896 VAL Chi-restraints excluded: chain D residue 900 ASN Chi-restraints excluded: chain D residue 910 PHE Chi-restraints excluded: chain D residue 922 LEU Chi-restraints excluded: chain D residue 923 GLN Chi-restraints excluded: chain D residue 925 SER Chi-restraints excluded: chain D residue 948 ASP Chi-restraints excluded: chain D residue 965 TYR Chi-restraints excluded: chain D residue 971 ASP Chi-restraints excluded: chain D residue 972 LEU Chi-restraints excluded: chain D residue 974 HIS Chi-restraints excluded: chain D residue 977 LEU Chi-restraints excluded: chain D residue 978 THR Chi-restraints excluded: chain D residue 1036 ARG Chi-restraints excluded: chain D residue 1045 THR Chi-restraints excluded: chain D residue 1054 GLU Chi-restraints excluded: chain D residue 1072 VAL Chi-restraints excluded: chain D residue 1076 ARG Chi-restraints excluded: chain D residue 1078 GLU Chi-restraints excluded: chain D residue 1081 TYR Chi-restraints excluded: chain D residue 1087 ARG Chi-restraints excluded: chain D residue 1093 GLU Chi-restraints excluded: chain D residue 1101 ARG Chi-restraints excluded: chain D residue 1108 GLU Chi-restraints excluded: chain D residue 1120 LEU Chi-restraints excluded: chain D residue 1132 TRP Chi-restraints excluded: chain D residue 1133 HIS Chi-restraints excluded: chain D residue 1134 LEU Chi-restraints excluded: chain D residue 1139 PHE Chi-restraints excluded: chain D residue 1143 TRP Chi-restraints excluded: chain D residue 1153 ILE Chi-restraints excluded: chain D residue 1155 LEU Chi-restraints excluded: chain D residue 1158 ASN Chi-restraints excluded: chain D residue 1160 ILE Chi-restraints excluded: chain D residue 1163 THR Chi-restraints excluded: chain D residue 1167 GLU Chi-restraints excluded: chain D residue 1169 LEU Chi-restraints excluded: chain D residue 1172 ASP Chi-restraints excluded: chain D residue 1184 ILE Chi-restraints excluded: chain D residue 1191 VAL Chi-restraints excluded: chain D residue 1201 HIS Chi-restraints excluded: chain D residue 1203 ASN Chi-restraints excluded: chain D residue 1204 LEU Chi-restraints excluded: chain D residue 1209 SER Chi-restraints excluded: chain D residue 1219 LEU Chi-restraints excluded: chain D residue 1226 PHE Chi-restraints excluded: chain D residue 1235 THR Chi-restraints excluded: chain D residue 1240 LYS Chi-restraints excluded: chain D residue 1242 LEU Chi-restraints excluded: chain D residue 1244 GLN Chi-restraints excluded: chain D residue 1248 VAL Chi-restraints excluded: chain D residue 1251 GLU Chi-restraints excluded: chain D residue 1254 HIS Chi-restraints excluded: chain D residue 1266 THR Chi-restraints excluded: chain D residue 1272 LEU Chi-restraints excluded: chain D residue 1575 LEU Chi-restraints excluded: chain D residue 1590 GLN Chi-restraints excluded: chain D residue 1595 LEU Chi-restraints excluded: chain D residue 1597 VAL Chi-restraints excluded: chain D residue 1600 LEU Chi-restraints excluded: chain D residue 1601 MET Chi-restraints excluded: chain D residue 1605 TRP Chi-restraints excluded: chain D residue 1613 LEU Chi-restraints excluded: chain D residue 1630 CYS Chi-restraints excluded: chain D residue 1636 MET Chi-restraints excluded: chain D residue 1639 LEU Chi-restraints excluded: chain D residue 1641 ILE Chi-restraints excluded: chain D residue 1648 MET Chi-restraints excluded: chain D residue 1649 ASP Chi-restraints excluded: chain D residue 1652 GLU Chi-restraints excluded: chain D residue 1654 SER Chi-restraints excluded: chain D residue 1657 LEU Chi-restraints excluded: chain D residue 1658 ASP Chi-restraints excluded: chain D residue 1661 ARG Chi-restraints excluded: chain D residue 1666 THR Chi-restraints excluded: chain D residue 1673 VAL Chi-restraints excluded: chain D residue 1679 ASN Chi-restraints excluded: chain D residue 1686 CYS Chi-restraints excluded: chain D residue 1694 LEU Chi-restraints excluded: chain D residue 1699 GLU Chi-restraints excluded: chain D residue 1700 ASP Chi-restraints excluded: chain D residue 1703 LEU Chi-restraints excluded: chain D residue 1707 LEU Chi-restraints excluded: chain D residue 1713 ASP Chi-restraints excluded: chain D residue 1720 LEU Chi-restraints excluded: chain D residue 1721 GLU Chi-restraints excluded: chain D residue 1731 LEU Chi-restraints excluded: chain D residue 1738 LEU Chi-restraints excluded: chain D residue 1739 THR Chi-restraints excluded: chain D residue 1743 ARG Chi-restraints excluded: chain D residue 1760 HIS Chi-restraints excluded: chain D residue 1768 THR Chi-restraints excluded: chain D residue 1770 SER Chi-restraints excluded: chain D residue 1772 ARG Chi-restraints excluded: chain D residue 1778 SER Chi-restraints excluded: chain D residue 1797 ARG Chi-restraints excluded: chain D residue 1798 LEU Chi-restraints excluded: chain D residue 1813 ARG Chi-restraints excluded: chain D residue 1819 VAL Chi-restraints excluded: chain D residue 1844 LEU Chi-restraints excluded: chain D residue 1848 LEU Chi-restraints excluded: chain D residue 1850 VAL Chi-restraints excluded: chain D residue 1853 ILE Chi-restraints excluded: chain D residue 1856 ASP Chi-restraints excluded: chain D residue 1857 GLU Chi-restraints excluded: chain D residue 1861 GLN Chi-restraints excluded: chain D residue 1863 LEU Chi-restraints excluded: chain D residue 1870 VAL Chi-restraints excluded: chain D residue 1928 GLN Chi-restraints excluded: chain D residue 1934 SER Chi-restraints excluded: chain D residue 1935 VAL Chi-restraints excluded: chain D residue 1939 MET Chi-restraints excluded: chain D residue 1942 LEU Chi-restraints excluded: chain D residue 1943 LEU Chi-restraints excluded: chain D residue 1947 CYS Chi-restraints excluded: chain D residue 1951 LEU Chi-restraints excluded: chain D residue 1958 LEU Chi-restraints excluded: chain D residue 1963 GLU Chi-restraints excluded: chain D residue 1964 ARG Chi-restraints excluded: chain D residue 1966 VAL Chi-restraints excluded: chain D residue 1968 LYS Chi-restraints excluded: chain D residue 1976 ARG Chi-restraints excluded: chain D residue 1996 ARG Chi-restraints excluded: chain D residue 1997 GLU Chi-restraints excluded: chain D residue 2030 ASP Chi-restraints excluded: chain D residue 2031 LEU Chi-restraints excluded: chain D residue 2034 PHE Chi-restraints excluded: chain D residue 2035 HIS Chi-restraints excluded: chain D residue 2039 LEU Chi-restraints excluded: chain D residue 2095 GLN Chi-restraints excluded: chain D residue 2098 VAL Chi-restraints excluded: chain D residue 2101 MET Chi-restraints excluded: chain D residue 2103 VAL Chi-restraints excluded: chain D residue 2104 ARG Chi-restraints excluded: chain D residue 2115 GLU Chi-restraints excluded: chain D residue 2117 VAL Chi-restraints excluded: chain D residue 2118 ARG Chi-restraints excluded: chain D residue 2120 MET Chi-restraints excluded: chain D residue 2122 SER Chi-restraints excluded: chain D residue 2125 HIS Chi-restraints excluded: chain D residue 2128 TYR Chi-restraints excluded: chain D residue 2138 LEU Chi-restraints excluded: chain D residue 2143 THR Chi-restraints excluded: chain D residue 2145 SER Chi-restraints excluded: chain D residue 2148 SER Chi-restraints excluded: chain D residue 2150 GLU Chi-restraints excluded: chain D residue 2155 LEU Chi-restraints excluded: chain D residue 2164 SER Chi-restraints excluded: chain D residue 2166 LEU Chi-restraints excluded: chain D residue 2169 GLN Chi-restraints excluded: chain D residue 2184 ASN Chi-restraints excluded: chain D residue 2185 ILE Chi-restraints excluded: chain D residue 2187 ASN Chi-restraints excluded: chain D residue 2189 LYS Chi-restraints excluded: chain D residue 2197 LEU Chi-restraints excluded: chain D residue 2198 MET Chi-restraints excluded: chain D residue 2203 MET Chi-restraints excluded: chain D residue 2204 HIS Chi-restraints excluded: chain D residue 2207 VAL Chi-restraints excluded: chain D residue 2225 PHE Chi-restraints excluded: chain D residue 2228 MET Chi-restraints excluded: chain D residue 2229 VAL Chi-restraints excluded: chain D residue 2231 SER Chi-restraints excluded: chain D residue 2232 CYS Chi-restraints excluded: chain D residue 2237 CYS Chi-restraints excluded: chain D residue 2245 GLN Chi-restraints excluded: chain D residue 2246 ASN Chi-restraints excluded: chain D residue 2248 ARG Chi-restraints excluded: chain D residue 2254 LEU Chi-restraints excluded: chain D residue 2256 TYR Chi-restraints excluded: chain D residue 2258 LEU Chi-restraints excluded: chain D residue 2260 ASN Chi-restraints excluded: chain D residue 2265 LEU Chi-restraints excluded: chain D residue 2275 VAL Chi-restraints excluded: chain D residue 2279 SER Chi-restraints excluded: chain D residue 2280 VAL Chi-restraints excluded: chain D residue 2292 GLU Chi-restraints excluded: chain D residue 2298 VAL Chi-restraints excluded: chain D residue 2330 ARG Chi-restraints excluded: chain D residue 2334 PHE Chi-restraints excluded: chain D residue 2339 VAL Chi-restraints excluded: chain D residue 2340 PHE Chi-restraints excluded: chain D residue 2346 VAL Chi-restraints excluded: chain D residue 2347 GLU Chi-restraints excluded: chain D residue 2348 GLU Chi-restraints excluded: chain D residue 2349 ASN Chi-restraints excluded: chain D residue 2353 VAL Chi-restraints excluded: chain D residue 2354 VAL Chi-restraints excluded: chain D residue 2356 LEU Chi-restraints excluded: chain D residue 2357 LEU Chi-restraints excluded: chain D residue 2368 LEU Chi-restraints excluded: chain D residue 2376 LEU Chi-restraints excluded: chain D residue 2377 LEU Chi-restraints excluded: chain D residue 2380 ILE Chi-restraints excluded: chain D residue 2418 LEU Chi-restraints excluded: chain D residue 2432 LEU Chi-restraints excluded: chain D residue 2449 GLU Chi-restraints excluded: chain D residue 2451 LEU Chi-restraints excluded: chain D residue 2454 ARG Chi-restraints excluded: chain D residue 2457 LEU Chi-restraints excluded: chain D residue 2460 LEU Chi-restraints excluded: chain D residue 2463 LEU Chi-restraints excluded: chain D residue 2472 LEU Chi-restraints excluded: chain D residue 2741 GLU Chi-restraints excluded: chain D residue 2747 ILE Chi-restraints excluded: chain D residue 2752 ASP Chi-restraints excluded: chain D residue 2756 ASN Chi-restraints excluded: chain D residue 2773 ASN Chi-restraints excluded: chain D residue 2792 ARG Chi-restraints excluded: chain D residue 2796 THR Chi-restraints excluded: chain D residue 2799 GLU Chi-restraints excluded: chain D residue 2816 MET Chi-restraints excluded: chain D residue 2821 TRP Chi-restraints excluded: chain D residue 2827 ARG Chi-restraints excluded: chain D residue 2855 TYR Chi-restraints excluded: chain D residue 2856 ASN Chi-restraints excluded: chain D residue 2862 LEU Chi-restraints excluded: chain D residue 2867 LEU Chi-restraints excluded: chain D residue 2868 SER Chi-restraints excluded: chain D residue 2881 ASN Chi-restraints excluded: chain D residue 2888 ARG Chi-restraints excluded: chain D residue 2889 LYS Chi-restraints excluded: chain D residue 2905 LEU Chi-restraints excluded: chain D residue 2906 VAL Chi-restraints excluded: chain D residue 2910 THR Chi-restraints excluded: chain D residue 2911 LEU Chi-restraints excluded: chain D residue 2929 PHE Chi-restraints excluded: chain D residue 2935 TYR Chi-restraints excluded: chain D residue 2938 THR Chi-restraints excluded: chain D residue 3644 LEU Chi-restraints excluded: chain D residue 3646 THR Chi-restraints excluded: chain D residue 3651 ASN Chi-restraints excluded: chain D residue 3652 MET Chi-restraints excluded: chain D residue 3657 TYR Chi-restraints excluded: chain D residue 3661 TRP Chi-restraints excluded: chain D residue 3663 LEU Chi-restraints excluded: chain D residue 3665 GLU Chi-restraints excluded: chain D residue 3666 ASP Chi-restraints excluded: chain D residue 3669 PHE Chi-restraints excluded: chain D residue 3676 ASP Chi-restraints excluded: chain D residue 3679 LYS Chi-restraints excluded: chain D residue 3697 PRO Chi-restraints excluded: chain D residue 3698 LEU Chi-restraints excluded: chain D residue 3702 VAL Chi-restraints excluded: chain D residue 3708 THR Chi-restraints excluded: chain D residue 3711 THR Chi-restraints excluded: chain D residue 3714 SER Chi-restraints excluded: chain D residue 3717 ASP Chi-restraints excluded: chain D residue 3718 GLU Chi-restraints excluded: chain D residue 3720 TYR Chi-restraints excluded: chain D residue 3725 TYR Chi-restraints excluded: chain D residue 3727 ASP Chi-restraints excluded: chain D residue 3753 PHE Chi-restraints excluded: chain D residue 3759 GLU Chi-restraints excluded: chain D residue 3763 LEU Chi-restraints excluded: chain D residue 3773 ARG Chi-restraints excluded: chain D residue 3780 LEU Chi-restraints excluded: chain D residue 3786 CYS Chi-restraints excluded: chain D residue 3787 LYS Chi-restraints excluded: chain D residue 3790 THR Chi-restraints excluded: chain D residue 3796 SER Chi-restraints excluded: chain D residue 3797 THR Chi-restraints excluded: chain D residue 3798 LEU Chi-restraints excluded: chain D residue 3802 ILE Chi-restraints excluded: chain D residue 3811 GLU Chi-restraints excluded: chain D residue 3816 MET Chi-restraints excluded: chain D residue 3822 ASP Chi-restraints excluded: chain D residue 3828 PHE Chi-restraints excluded: chain D residue 3836 MET Chi-restraints excluded: chain D residue 3838 THR Chi-restraints excluded: chain D residue 3841 VAL Chi-restraints excluded: chain D residue 3843 ASP Chi-restraints excluded: chain D residue 3844 LEU Chi-restraints excluded: chain D residue 3847 PHE Chi-restraints excluded: chain D residue 3881 THR Chi-restraints excluded: chain D residue 3882 GLN Chi-restraints excluded: chain D residue 3883 ASP Chi-restraints excluded: chain D residue 3884 LEU Chi-restraints excluded: chain D residue 3890 LEU Chi-restraints excluded: chain D residue 3891 LEU Chi-restraints excluded: chain D residue 3895 HIS Chi-restraints excluded: chain D residue 3900 GLN Chi-restraints excluded: chain D residue 3902 TYR Chi-restraints excluded: chain D residue 3907 THR Chi-restraints excluded: chain D residue 3909 ASN Chi-restraints excluded: chain D residue 3913 ILE Chi-restraints excluded: chain D residue 3915 ILE Chi-restraints excluded: chain D residue 3916 ILE Chi-restraints excluded: chain D residue 3917 ILE Chi-restraints excluded: chain D residue 3920 VAL Chi-restraints excluded: chain D residue 3924 LEU Chi-restraints excluded: chain D residue 3927 GLN Chi-restraints excluded: chain D residue 3928 GLU Chi-restraints excluded: chain D residue 3929 SER Chi-restraints excluded: chain D residue 3931 SER Chi-restraints excluded: chain D residue 3932 ASP Chi-restraints excluded: chain D residue 3937 TYR Chi-restraints excluded: chain D residue 3944 GLU Chi-restraints excluded: chain D residue 3946 GLN Chi-restraints excluded: chain D residue 3948 LYS Chi-restraints excluded: chain D residue 3953 LYS Chi-restraints excluded: chain D residue 3957 VAL Chi-restraints excluded: chain D residue 3959 LYS Chi-restraints excluded: chain D residue 3961 VAL Chi-restraints excluded: chain D residue 3963 ASN Chi-restraints excluded: chain D residue 3964 SER Chi-restraints excluded: chain D residue 3970 GLN Chi-restraints excluded: chain D residue 3974 THR Chi-restraints excluded: chain D residue 3979 SER Chi-restraints excluded: chain D residue 3980 LEU Chi-restraints excluded: chain D residue 3982 HIS Chi-restraints excluded: chain D residue 3985 LEU Chi-restraints excluded: chain D residue 3987 ASP Chi-restraints excluded: chain D residue 3990 VAL Chi-restraints excluded: chain D residue 3996 PHE Chi-restraints excluded: chain D residue 4011 GLU Chi-restraints excluded: chain D residue 4013 LEU Chi-restraints excluded: chain D residue 4022 ASP Chi-restraints excluded: chain D residue 4023 MET Chi-restraints excluded: chain D residue 4025 VAL Chi-restraints excluded: chain D residue 4045 VAL Chi-restraints excluded: chain D residue 4046 ASP Chi-restraints excluded: chain D residue 4049 VAL Chi-restraints excluded: chain D residue 4055 VAL Chi-restraints excluded: chain D residue 4058 ILE Chi-restraints excluded: chain D residue 4059 LEU Chi-restraints excluded: chain D residue 4063 ASP Chi-restraints excluded: chain D residue 4066 LEU Chi-restraints excluded: chain D residue 4071 ILE Chi-restraints excluded: chain D residue 4088 ILE Chi-restraints excluded: chain D residue 4090 LYS Chi-restraints excluded: chain D residue 4095 LYS Chi-restraints excluded: chain D residue 4102 GLN Chi-restraints excluded: chain D residue 4109 GLN Chi-restraints excluded: chain D residue 4121 GLU Chi-restraints excluded: chain D residue 4128 PHE Chi-restraints excluded: chain D residue 4134 GLU Chi-restraints excluded: chain D residue 4139 ILE Chi-restraints excluded: chain D residue 4142 ASN Chi-restraints excluded: chain D residue 4143 VAL Chi-restraints excluded: chain D residue 4145 VAL Chi-restraints excluded: chain D residue 4150 LEU Chi-restraints excluded: chain D residue 4151 SER Chi-restraints excluded: chain D residue 4157 ASP Chi-restraints excluded: chain D residue 4159 ARG Chi-restraints excluded: chain D residue 4160 LEU Chi-restraints excluded: chain D residue 4162 ASN Chi-restraints excluded: chain D residue 4164 LEU Chi-restraints excluded: chain D residue 4166 LEU Chi-restraints excluded: chain D residue 4178 LEU Chi-restraints excluded: chain D residue 4180 ARG Chi-restraints excluded: chain D residue 4181 ILE Chi-restraints excluded: chain D residue 4190 ILE Chi-restraints excluded: chain D residue 4192 ARG Chi-restraints excluded: chain D residue 4195 PHE Chi-restraints excluded: chain D residue 4200 THR Chi-restraints excluded: chain D residue 4202 ARG Chi-restraints excluded: chain D residue 4205 TRP Chi-restraints excluded: chain D residue 4212 GLU Chi-restraints excluded: chain D residue 4237 PHE Chi-restraints excluded: chain D residue 4238 CYS Chi-restraints excluded: chain D residue 4244 GLU Chi-restraints excluded: chain D residue 4250 GLN Chi-restraints excluded: chain D residue 4251 ILE Chi-restraints excluded: chain D residue 4252 SER Chi-restraints excluded: chain D residue 4547 GLN Chi-restraints excluded: chain D residue 4549 VAL Chi-restraints excluded: chain D residue 4558 ASN Chi-restraints excluded: chain D residue 4559 PHE Chi-restraints excluded: chain D residue 4565 LEU Chi-restraints excluded: chain D residue 4573 ILE Chi-restraints excluded: chain D residue 4582 VAL Chi-restraints excluded: chain D residue 4630 TYR Chi-restraints excluded: chain D residue 4631 PHE Chi-restraints excluded: chain D residue 4632 LEU Chi-restraints excluded: chain D residue 4633 GLU Chi-restraints excluded: chain D residue 4635 SER Chi-restraints excluded: chain D residue 4638 TYR Chi-restraints excluded: chain D residue 4646 LEU Chi-restraints excluded: chain D residue 4648 LEU Chi-restraints excluded: chain D residue 4649 LEU Chi-restraints excluded: chain D residue 4651 THR Chi-restraints excluded: chain D residue 4652 LEU Chi-restraints excluded: chain D residue 4653 VAL Chi-restraints excluded: chain D residue 4656 LEU Chi-restraints excluded: chain D residue 4657 CYS Chi-restraints excluded: chain D residue 4663 CYS Chi-restraints excluded: chain D residue 4666 VAL Chi-restraints excluded: chain D residue 4668 LEU Chi-restraints excluded: chain D residue 4671 PHE Chi-restraints excluded: chain D residue 4674 GLU Chi-restraints excluded: chain D residue 4676 GLU Chi-restraints excluded: chain D residue 4677 LEU Chi-restraints excluded: chain D residue 4682 GLU Chi-restraints excluded: chain D residue 4684 ASP Chi-restraints excluded: chain D residue 4686 LEU Chi-restraints excluded: chain D residue 4688 ILE Chi-restraints excluded: chain D residue 4701 TRP Chi-restraints excluded: chain D residue 4710 SER Chi-restraints excluded: chain D residue 4723 LYS Chi-restraints excluded: chain D residue 4727 LYS Chi-restraints excluded: chain D residue 4731 ILE Chi-restraints excluded: chain D residue 4739 GLU Chi-restraints excluded: chain D residue 4743 MET Chi-restraints excluded: chain D residue 4747 SER Chi-restraints excluded: chain D residue 4770 SER Chi-restraints excluded: chain D residue 4771 ILE Chi-restraints excluded: chain D residue 4774 LYS Chi-restraints excluded: chain D residue 4777 ILE Chi-restraints excluded: chain D residue 4780 PHE Chi-restraints excluded: chain D residue 4783 ILE Chi-restraints excluded: chain D residue 4786 ASP Chi-restraints excluded: chain D residue 4791 TYR Chi-restraints excluded: chain D residue 4794 TRP Chi-restraints excluded: chain D residue 4797 VAL Chi-restraints excluded: chain D residue 4800 LEU Chi-restraints excluded: chain D residue 4814 LEU Chi-restraints excluded: chain D residue 4816 ILE Chi-restraints excluded: chain D residue 4818 MET Chi-restraints excluded: chain D residue 4822 THR Chi-restraints excluded: chain D residue 4827 LEU Chi-restraints excluded: chain D residue 4830 VAL Chi-restraints excluded: chain D residue 4836 GLN Chi-restraints excluded: chain D residue 4838 VAL Chi-restraints excluded: chain D residue 4849 TYR Chi-restraints excluded: chain D residue 4852 THR Chi-restraints excluded: chain D residue 4854 VAL Chi-restraints excluded: chain D residue 4864 ASN Chi-restraints excluded: chain D residue 4867 GLU Chi-restraints excluded: chain D residue 4877 ASP Chi-restraints excluded: chain D residue 4886 HIS Chi-restraints excluded: chain D residue 4901 ILE Chi-restraints excluded: chain D residue 4904 PRO Chi-restraints excluded: chain D residue 4913 ARG Chi-restraints excluded: chain D residue 4915 VAL Chi-restraints excluded: chain D residue 4918 ILE Chi-restraints excluded: chain D residue 4919 THR Chi-restraints excluded: chain D residue 4920 PHE Chi-restraints excluded: chain D residue 4921 PHE Chi-restraints excluded: chain D residue 4922 PHE Chi-restraints excluded: chain D residue 4936 ILE Chi-restraints excluded: chain D residue 4945 ASP Chi-restraints excluded: chain D residue 4950 VAL Chi-restraints excluded: chain D residue 4954 MET Chi-restraints excluded: chain D residue 4959 PHE Chi-restraints excluded: chain D residue 4960 ILE Chi-restraints excluded: chain D residue 4963 ILE Chi-restraints excluded: chain D residue 4966 ASP Chi-restraints excluded: chain D residue 4980 LEU Chi-restraints excluded: chain D residue 4983 HIS Chi-restraints excluded: chain D residue 4985 LEU Chi-restraints excluded: chain D residue 4990 PHE Chi-restraints excluded: chain D residue 4994 TYR Chi-restraints excluded: chain D residue 4996 ILE Chi-restraints excluded: chain D residue 5008 SER Chi-restraints excluded: chain D residue 5010 VAL Chi-restraints excluded: chain D residue 5013 MET Chi-restraints excluded: chain D residue 5014 TYR Chi-restraints excluded: chain D residue 5016 GLU Chi-restraints excluded: chain D residue 5020 ASP Chi-restraints excluded: chain D residue 5027 CYS Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 0 random chunks: chunk None optimal weight: 10.0000 overall best weight: 50.0000 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** A 57 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 218 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 308 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 350 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 460 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 461 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 479 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 582 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 610 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 618 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 705 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 725 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 735 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 772 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 949 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1158 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1165 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1683 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1837 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2161 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2184 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2253 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2744 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2877 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3643 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3809 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3927 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3976 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3977 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4034 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4100 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4102 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4650 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4700 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4973 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 23 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 57 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 218 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 308 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 394 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 461 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 479 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 610 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 618 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 705 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 725 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 735 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 949 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1158 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1165 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1683 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1837 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2161 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2184 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2196 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2253 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2268 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2744 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2763 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2877 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3643 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3809 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3895 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3927 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3976 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3977 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4034 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4054 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4100 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4102 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4162 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4209 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4650 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4700 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B4886 HIS ** B4973 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4987 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 57 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 218 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 308 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 394 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 460 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 461 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 479 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 610 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 618 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 705 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 725 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 735 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 772 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 949 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1158 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1165 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1640 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1683 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1837 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2161 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2184 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2253 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2268 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2744 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2877 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3643 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3927 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3976 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3977 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4034 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4054 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4100 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4102 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4162 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4650 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C4886 HIS ** C4973 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 57 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 218 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 308 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 394 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 461 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 479 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 582 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 610 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 618 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 705 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 725 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 735 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 772 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 949 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1158 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1165 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1683 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1837 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2161 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2184 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2253 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2744 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2763 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2877 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3643 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3809 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3927 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3970 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3977 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4034 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4054 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4100 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4102 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4650 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D4886 HIS ** D4973 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 3 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8303 moved from start: 1.6290 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.029 0.276 119724 Z= 1.891 Angle : 2.552 33.203 163324 Z= 1.305 Chirality : 0.103 0.874 19116 Planarity : 0.018 0.273 21488 Dihedral : 14.841 141.947 17724 Min Nonbonded Distance : 1.676 Molprobity Statistics. All-atom Clashscore : 154.64 Ramachandran Plot: Outliers : 1.48 % Allowed : 44.25 % Favored : 54.27 % Rotamer: Outliers : 27.45 % Allowed : 29.81 % Favored : 42.75 % Cbeta Deviations : 0.22 % Peptide Plane: Cis-proline : 0.64 % Cis-general : 0.00 % Twisted Proline : 11.46 % Twisted General : 5.10 % 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: -7.20 (0.05), residues: 12924 helix: -4.72 (0.04), residues: 5092 sheet: -4.01 (0.18), residues: 592 loop : -5.14 (0.05), residues: 7240 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.105 0.009 TRP A1132 HIS 0.039 0.008 HIS B2194 PHE 0.081 0.009 PHE C2340 TYR 0.083 0.009 TYR A4849 ARG 0.048 0.003 ARG B1661 ********************** REFINEMENT MACRO_CYCLE 10 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 25848 Ramachandran restraints generated. 12924 Oldfield, 0 Emsley, 12924 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 25848 Ramachandran restraints generated. 12924 Oldfield, 0 Emsley, 12924 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3216 residues out of total 11344 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2736 poor density : 480 time to evaluate : 9.134 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 12 GLN cc_start: 0.7887 (OUTLIER) cc_final: 0.7472 (mm110) REVERT: A 15 ARG cc_start: 0.8136 (OUTLIER) cc_final: 0.7651 (mtm-85) REVERT: A 67 PHE cc_start: 0.9215 (OUTLIER) cc_final: 0.8807 (m-10) REVERT: A 121 LEU cc_start: 0.8591 (OUTLIER) cc_final: 0.7920 (mm) REVERT: A 152 PRO cc_start: 0.9489 (OUTLIER) cc_final: 0.9194 (Cg_exo) REVERT: A 189 LEU cc_start: 0.9365 (OUTLIER) cc_final: 0.8908 (mt) REVERT: A 247 TYR cc_start: 0.8909 (OUTLIER) cc_final: 0.8356 (m-80) REVERT: A 263 GLU cc_start: 0.8969 (OUTLIER) cc_final: 0.8685 (pt0) REVERT: A 283 ARG cc_start: 0.9125 (OUTLIER) cc_final: 0.8657 (ttt-90) REVERT: A 396 GLU cc_start: 0.9148 (OUTLIER) cc_final: 0.8566 (pp20) REVERT: A 411 TYR cc_start: 0.9205 (OUTLIER) cc_final: 0.8771 (m-80) REVERT: A 475 GLN cc_start: 0.9231 (OUTLIER) cc_final: 0.8959 (pm20) REVERT: A 497 TYR cc_start: 0.9127 (OUTLIER) cc_final: 0.8250 (m-80) REVERT: A 597 HIS cc_start: 0.8123 (OUTLIER) cc_final: 0.7682 (t-90) REVERT: A 625 LEU cc_start: 0.8702 (OUTLIER) cc_final: 0.8380 (tt) REVERT: A 663 TYR cc_start: 0.7205 (OUTLIER) cc_final: 0.6409 (t80) REVERT: A 690 GLU cc_start: 0.4694 (OUTLIER) cc_final: 0.4445 (mp0) REVERT: A 714 TYR cc_start: 0.8139 (OUTLIER) cc_final: 0.7393 (m-80) REVERT: A 1076 ARG cc_start: 0.9198 (OUTLIER) cc_final: 0.7969 (ptt90) REVERT: A 1100 MET cc_start: 0.8256 (pmm) cc_final: 0.7831 (pmm) REVERT: A 1101 ARG cc_start: 0.8237 (OUTLIER) cc_final: 0.7627 (mtt180) REVERT: A 1143 TRP cc_start: 0.7644 (OUTLIER) cc_final: 0.7347 (p90) REVERT: A 1254 HIS cc_start: 0.8788 (OUTLIER) cc_final: 0.8303 (m-70) REVERT: A 1260 MET cc_start: 0.8328 (ppp) cc_final: 0.7638 (ppp) REVERT: A 1590 GLN cc_start: 0.9199 (OUTLIER) cc_final: 0.8281 (tp40) REVERT: A 1595 LEU cc_start: 0.9318 (OUTLIER) cc_final: 0.9077 (mp) REVERT: A 1605 TRP cc_start: 0.8903 (OUTLIER) cc_final: 0.8207 (m-10) REVERT: A 1648 MET cc_start: 0.9239 (OUTLIER) cc_final: 0.8518 (ttm) REVERT: A 1652 GLU cc_start: 0.9164 (OUTLIER) cc_final: 0.8154 (pp20) REVERT: A 1721 GLU cc_start: 0.8936 (OUTLIER) cc_final: 0.8519 (tm-30) REVERT: A 1772 ARG cc_start: 0.8699 (OUTLIER) cc_final: 0.8039 (mmt180) REVERT: A 1813 ARG cc_start: 0.9091 (OUTLIER) cc_final: 0.8700 (ptm-80) REVERT: A 1928 GLN cc_start: 0.9448 (OUTLIER) cc_final: 0.8911 (mp10) REVERT: A 1929 MET cc_start: 0.8415 (mpt) cc_final: 0.7829 (mpt) REVERT: A 1997 GLU cc_start: 0.8344 (OUTLIER) cc_final: 0.7809 (mp0) REVERT: A 2104 ARG cc_start: 0.9304 (OUTLIER) cc_final: 0.8948 (ptt-90) REVERT: A 2118 ARG cc_start: 0.9229 (OUTLIER) cc_final: 0.8808 (ttp80) REVERT: A 2120 MET cc_start: 0.8949 (OUTLIER) cc_final: 0.8666 (ppp) REVERT: A 2204 HIS cc_start: 0.9640 (OUTLIER) cc_final: 0.9419 (p-80) REVERT: A 2228 MET cc_start: 0.9029 (OUTLIER) cc_final: 0.8765 (mmm) REVERT: A 2330 ARG cc_start: 0.8259 (OUTLIER) cc_final: 0.7823 (ttt180) REVERT: A 2472 LEU cc_start: 0.8537 (OUTLIER) cc_final: 0.8296 (mt) REVERT: A 2827 ARG cc_start: 0.7865 (OUTLIER) cc_final: 0.7319 (mtt90) REVERT: A 2935 TYR cc_start: 0.6152 (OUTLIER) cc_final: 0.5567 (m-80) REVERT: A 3697 PRO cc_start: 0.9321 (OUTLIER) cc_final: 0.9025 (Cg_endo) REVERT: A 3718 GLU cc_start: 0.9479 (OUTLIER) cc_final: 0.9024 (mm-30) REVERT: A 3725 TYR cc_start: 0.9554 (OUTLIER) cc_final: 0.8946 (t80) REVERT: A 3753 PHE cc_start: 0.8421 (OUTLIER) cc_final: 0.7929 (t80) REVERT: A 3778 MET cc_start: 0.9535 (ppp) cc_final: 0.9225 (ppp) REVERT: A 3836 MET cc_start: 0.9228 (OUTLIER) cc_final: 0.8692 (ppp) REVERT: A 3842 LEU cc_start: 0.7611 (OUTLIER) cc_final: 0.7191 (pt) REVERT: A 3875 MET cc_start: 0.8637 (tpt) cc_final: 0.8182 (tpt) REVERT: A 3986 TRP cc_start: 0.9140 (OUTLIER) cc_final: 0.8688 (m100) REVERT: A 4212 GLU cc_start: 0.9385 (OUTLIER) cc_final: 0.8941 (pp20) REVERT: A 4563 ARG cc_start: 0.8545 (OUTLIER) cc_final: 0.8152 (tpp80) REVERT: A 4630 TYR cc_start: 0.9147 (OUTLIER) cc_final: 0.8822 (t80) REVERT: A 4639 MET cc_start: 0.1339 (ptt) cc_final: 0.0451 (mtt) REVERT: A 4674 GLU cc_start: 0.9537 (OUTLIER) cc_final: 0.9236 (tp30) REVERT: A 4780 PHE cc_start: 0.9332 (OUTLIER) cc_final: 0.8938 (m-80) REVERT: A 4807 PHE cc_start: 0.7027 (OUTLIER) cc_final: 0.6324 (p90) REVERT: A 4818 MET cc_start: 0.7981 (OUTLIER) cc_final: 0.7428 (tpt) REVERT: A 4886 HIS cc_start: 0.9216 (OUTLIER) cc_final: 0.8277 (m90) REVERT: A 4901 ILE cc_start: 0.6639 (OUTLIER) cc_final: 0.6331 (tp) REVERT: A 4913 ARG cc_start: 0.8036 (OUTLIER) cc_final: 0.7766 (ttm170) REVERT: A 4989 MET cc_start: 0.9102 (mmp) cc_final: 0.8737 (mmp) REVERT: A 5014 TYR cc_start: 0.9491 (OUTLIER) cc_final: 0.9250 (t80) REVERT: B 12 GLN cc_start: 0.7986 (OUTLIER) cc_final: 0.7608 (mm110) REVERT: B 15 ARG cc_start: 0.8392 (OUTLIER) cc_final: 0.7723 (mtm-85) REVERT: B 67 PHE cc_start: 0.9229 (OUTLIER) cc_final: 0.8840 (m-10) REVERT: B 121 LEU cc_start: 0.8607 (OUTLIER) cc_final: 0.7939 (mm) REVERT: B 152 PRO cc_start: 0.9461 (OUTLIER) cc_final: 0.9205 (Cg_exo) REVERT: B 189 LEU cc_start: 0.9363 (OUTLIER) cc_final: 0.8915 (mt) REVERT: B 247 TYR cc_start: 0.8847 (OUTLIER) cc_final: 0.8351 (m-80) REVERT: B 275 ARG cc_start: 0.8494 (OUTLIER) cc_final: 0.8285 (mtm-85) REVERT: B 283 ARG cc_start: 0.9142 (OUTLIER) cc_final: 0.8674 (ttt-90) REVERT: B 411 TYR cc_start: 0.9218 (OUTLIER) cc_final: 0.8776 (m-80) REVERT: B 475 GLN cc_start: 0.9303 (OUTLIER) cc_final: 0.8954 (pm20) REVERT: B 497 TYR cc_start: 0.9144 (OUTLIER) cc_final: 0.8234 (m-80) REVERT: B 597 HIS cc_start: 0.8050 (OUTLIER) cc_final: 0.7796 (t-90) REVERT: B 625 LEU cc_start: 0.8739 (OUTLIER) cc_final: 0.8427 (tt) REVERT: B 663 TYR cc_start: 0.7208 (OUTLIER) cc_final: 0.6352 (t80) REVERT: B 690 GLU cc_start: 0.4584 (OUTLIER) cc_final: 0.4328 (mp0) REVERT: B 714 TYR cc_start: 0.8027 (OUTLIER) cc_final: 0.7307 (m-80) REVERT: B 735 GLN cc_start: 0.8431 (OUTLIER) cc_final: 0.7799 (tp40) REVERT: B 1100 MET cc_start: 0.8253 (pmm) cc_final: 0.7825 (pmm) REVERT: B 1101 ARG cc_start: 0.8262 (OUTLIER) cc_final: 0.7650 (mtt180) REVERT: B 1143 TRP cc_start: 0.7652 (OUTLIER) cc_final: 0.7351 (p90) REVERT: B 1254 HIS cc_start: 0.8783 (OUTLIER) cc_final: 0.8302 (m-70) REVERT: B 1260 MET cc_start: 0.8308 (ppp) cc_final: 0.7599 (ppp) REVERT: B 1590 GLN cc_start: 0.9179 (OUTLIER) cc_final: 0.8308 (tp40) REVERT: B 1605 TRP cc_start: 0.8840 (OUTLIER) cc_final: 0.8566 (m-10) REVERT: B 1648 MET cc_start: 0.9220 (OUTLIER) cc_final: 0.8497 (ttm) REVERT: B 1652 GLU cc_start: 0.9166 (OUTLIER) cc_final: 0.8169 (pp20) REVERT: B 1721 GLU cc_start: 0.8941 (OUTLIER) cc_final: 0.8513 (tm-30) REVERT: B 1772 ARG cc_start: 0.8706 (OUTLIER) cc_final: 0.8103 (mmt180) REVERT: B 1813 ARG cc_start: 0.9078 (OUTLIER) cc_final: 0.8630 (ptm-80) REVERT: B 1861 GLN cc_start: 0.8974 (OUTLIER) cc_final: 0.8770 (tm-30) REVERT: B 1928 GLN cc_start: 0.9455 (OUTLIER) cc_final: 0.8914 (mp10) REVERT: B 1929 MET cc_start: 0.8317 (mpt) cc_final: 0.7713 (mpt) REVERT: B 1997 GLU cc_start: 0.8288 (OUTLIER) cc_final: 0.7770 (mp0) REVERT: B 2104 ARG cc_start: 0.9311 (OUTLIER) cc_final: 0.8946 (ptt-90) REVERT: B 2118 ARG cc_start: 0.9227 (OUTLIER) cc_final: 0.8813 (ttp80) REVERT: B 2120 MET cc_start: 0.8976 (OUTLIER) cc_final: 0.8659 (ppp) REVERT: B 2228 MET cc_start: 0.9014 (OUTLIER) cc_final: 0.8775 (mmm) REVERT: B 2330 ARG cc_start: 0.8250 (OUTLIER) cc_final: 0.7814 (ttt180) REVERT: B 2472 LEU cc_start: 0.8542 (OUTLIER) cc_final: 0.8297 (mt) REVERT: B 2790 MET cc_start: 0.0261 (tmm) cc_final: -0.0181 (tpt) REVERT: B 2827 ARG cc_start: 0.7901 (OUTLIER) cc_final: 0.7503 (mtt90) REVERT: B 2935 TYR cc_start: 0.6183 (OUTLIER) cc_final: 0.5600 (m-80) REVERT: B 3718 GLU cc_start: 0.9391 (OUTLIER) cc_final: 0.8902 (mm-30) REVERT: B 3778 MET cc_start: 0.9528 (ppp) cc_final: 0.9234 (ppp) REVERT: B 3836 MET cc_start: 0.9224 (OUTLIER) cc_final: 0.8688 (ppp) REVERT: B 3875 MET cc_start: 0.8582 (tpt) cc_final: 0.8026 (tpt) REVERT: B 3890 LEU cc_start: 0.9257 (OUTLIER) cc_final: 0.9036 (tp) REVERT: B 3986 TRP cc_start: 0.9150 (OUTLIER) cc_final: 0.8651 (m100) REVERT: B 4195 PHE cc_start: 0.9238 (OUTLIER) cc_final: 0.8744 (p90) REVERT: B 4205 TRP cc_start: 0.8938 (OUTLIER) cc_final: 0.8678 (t-100) REVERT: B 4212 GLU cc_start: 0.9377 (OUTLIER) cc_final: 0.9038 (pp20) REVERT: B 4548 ARG cc_start: 0.9104 (OUTLIER) cc_final: 0.8741 (mtp180) REVERT: B 4563 ARG cc_start: 0.8537 (OUTLIER) cc_final: 0.8159 (tpp80) REVERT: B 4630 TYR cc_start: 0.9138 (OUTLIER) cc_final: 0.8820 (t80) REVERT: B 4639 MET cc_start: 0.1334 (ptt) cc_final: 0.0449 (mtt) REVERT: B 4674 GLU cc_start: 0.9523 (OUTLIER) cc_final: 0.9239 (tp30) REVERT: B 4780 PHE cc_start: 0.9336 (OUTLIER) cc_final: 0.8940 (m-80) REVERT: B 4807 PHE cc_start: 0.7042 (OUTLIER) cc_final: 0.6334 (p90) REVERT: B 4818 MET cc_start: 0.7982 (OUTLIER) cc_final: 0.7427 (tpt) REVERT: B 4849 TYR cc_start: 0.8930 (OUTLIER) cc_final: 0.8374 (t80) REVERT: B 4886 HIS cc_start: 0.9243 (OUTLIER) cc_final: 0.8564 (m90) REVERT: B 4901 ILE cc_start: 0.6624 (OUTLIER) cc_final: 0.6295 (tp) REVERT: B 4913 ARG cc_start: 0.8033 (OUTLIER) cc_final: 0.7761 (ttm170) REVERT: B 5014 TYR cc_start: 0.9470 (OUTLIER) cc_final: 0.9198 (t80) REVERT: C 15 ARG cc_start: 0.8535 (OUTLIER) cc_final: 0.8005 (mtm-85) REVERT: C 67 PHE cc_start: 0.9233 (OUTLIER) cc_final: 0.8850 (m-10) REVERT: C 121 LEU cc_start: 0.8594 (OUTLIER) cc_final: 0.7920 (mm) REVERT: C 152 PRO cc_start: 0.9485 (OUTLIER) cc_final: 0.9196 (Cg_exo) REVERT: C 189 LEU cc_start: 0.9344 (OUTLIER) cc_final: 0.8868 (mt) REVERT: C 247 TYR cc_start: 0.8900 (OUTLIER) cc_final: 0.8352 (m-80) REVERT: C 275 ARG cc_start: 0.8484 (OUTLIER) cc_final: 0.8083 (mtm180) REVERT: C 283 ARG cc_start: 0.9134 (OUTLIER) cc_final: 0.8663 (ttt-90) REVERT: C 394 GLN cc_start: 0.7251 (OUTLIER) cc_final: 0.6666 (mp10) REVERT: C 396 GLU cc_start: 0.9260 (OUTLIER) cc_final: 0.8669 (pp20) REVERT: C 411 TYR cc_start: 0.9238 (OUTLIER) cc_final: 0.8996 (m-80) REVERT: C 475 GLN cc_start: 0.9233 (OUTLIER) cc_final: 0.8962 (pm20) REVERT: C 497 TYR cc_start: 0.9124 (OUTLIER) cc_final: 0.8248 (m-80) REVERT: C 625 LEU cc_start: 0.8710 (OUTLIER) cc_final: 0.8393 (tt) REVERT: C 663 TYR cc_start: 0.7189 (OUTLIER) cc_final: 0.6396 (t80) REVERT: C 690 GLU cc_start: 0.4656 (OUTLIER) cc_final: 0.4400 (mp0) REVERT: C 714 TYR cc_start: 0.8090 (OUTLIER) cc_final: 0.7383 (m-80) REVERT: C 735 GLN cc_start: 0.8499 (OUTLIER) cc_final: 0.7860 (tp40) REVERT: C 1093 GLU cc_start: 0.8505 (OUTLIER) cc_final: 0.7977 (tm-30) REVERT: C 1100 MET cc_start: 0.8235 (pmm) cc_final: 0.7806 (pmm) REVERT: C 1101 ARG cc_start: 0.8240 (OUTLIER) cc_final: 0.7636 (mtt180) REVERT: C 1143 TRP cc_start: 0.7624 (OUTLIER) cc_final: 0.7344 (p90) REVERT: C 1254 HIS cc_start: 0.8793 (OUTLIER) cc_final: 0.8305 (m-70) REVERT: C 1260 MET cc_start: 0.8334 (ppp) cc_final: 0.7633 (ppp) REVERT: C 1590 GLN cc_start: 0.9070 (OUTLIER) cc_final: 0.8257 (mm-40) REVERT: C 1595 LEU cc_start: 0.9324 (OUTLIER) cc_final: 0.9106 (mp) REVERT: C 1605 TRP cc_start: 0.8839 (OUTLIER) cc_final: 0.8545 (m-10) REVERT: C 1648 MET cc_start: 0.9224 (OUTLIER) cc_final: 0.8502 (ttm) REVERT: C 1652 GLU cc_start: 0.9172 (OUTLIER) cc_final: 0.8176 (pp20) REVERT: C 1663 HIS cc_start: 0.9002 (OUTLIER) cc_final: 0.8592 (t70) REVERT: C 1721 GLU cc_start: 0.8907 (OUTLIER) cc_final: 0.8455 (tm-30) REVERT: C 1772 ARG cc_start: 0.8688 (OUTLIER) cc_final: 0.8104 (mmt180) REVERT: C 1813 ARG cc_start: 0.9084 (OUTLIER) cc_final: 0.8634 (ptm-80) REVERT: C 1861 GLN cc_start: 0.8964 (OUTLIER) cc_final: 0.8740 (tm-30) REVERT: C 1928 GLN cc_start: 0.9450 (OUTLIER) cc_final: 0.8909 (mp10) REVERT: C 1929 MET cc_start: 0.8411 (mpt) cc_final: 0.7828 (mpt) REVERT: C 1997 GLU cc_start: 0.8301 (OUTLIER) cc_final: 0.7775 (mp0) REVERT: C 2104 ARG cc_start: 0.9315 (OUTLIER) cc_final: 0.8951 (ptt-90) REVERT: C 2118 ARG cc_start: 0.9232 (OUTLIER) cc_final: 0.8808 (ttp80) REVERT: C 2120 MET cc_start: 0.8961 (OUTLIER) cc_final: 0.8654 (ppp) REVERT: C 2204 HIS cc_start: 0.9653 (OUTLIER) cc_final: 0.9445 (p-80) REVERT: C 2228 MET cc_start: 0.9029 (OUTLIER) cc_final: 0.8748 (mmm) REVERT: C 2330 ARG cc_start: 0.8241 (OUTLIER) cc_final: 0.7766 (ttt180) REVERT: C 2472 LEU cc_start: 0.8538 (OUTLIER) cc_final: 0.8295 (mt) REVERT: C 2790 MET cc_start: 0.0261 (tmm) cc_final: -0.0183 (tpt) REVERT: C 2827 ARG cc_start: 0.7933 (OUTLIER) cc_final: 0.7487 (mtt90) REVERT: C 2935 TYR cc_start: 0.6180 (OUTLIER) cc_final: 0.5557 (m-80) REVERT: C 3697 PRO cc_start: 0.9319 (OUTLIER) cc_final: 0.9024 (Cg_endo) REVERT: C 3725 TYR cc_start: 0.9560 (OUTLIER) cc_final: 0.8922 (t80) REVERT: C 3753 PHE cc_start: 0.8484 (OUTLIER) cc_final: 0.7961 (t80) REVERT: C 3778 MET cc_start: 0.9535 (ppp) cc_final: 0.9227 (ppp) REVERT: C 3836 MET cc_start: 0.9224 (OUTLIER) cc_final: 0.8690 (ppp) REVERT: C 3842 LEU cc_start: 0.7615 (OUTLIER) cc_final: 0.7189 (pt) REVERT: C 3875 MET cc_start: 0.8633 (tpt) cc_final: 0.8179 (tpt) REVERT: C 3986 TRP cc_start: 0.9146 (OUTLIER) cc_final: 0.8691 (m100) REVERT: C 4174 PHE cc_start: 0.9044 (m-80) cc_final: 0.8788 (m-80) REVERT: C 4180 ARG cc_start: 0.6879 (OUTLIER) cc_final: 0.6648 (mtp-110) REVERT: C 4195 PHE cc_start: 0.9151 (OUTLIER) cc_final: 0.8110 (p90) REVERT: C 4205 TRP cc_start: 0.8913 (OUTLIER) cc_final: 0.8655 (t-100) REVERT: C 4212 GLU cc_start: 0.9395 (OUTLIER) cc_final: 0.8965 (pp20) REVERT: C 4563 ARG cc_start: 0.8547 (OUTLIER) cc_final: 0.8156 (tpp80) REVERT: C 4630 TYR cc_start: 0.9147 (OUTLIER) cc_final: 0.8822 (t80) REVERT: C 4639 MET cc_start: 0.1351 (ptt) cc_final: 0.0458 (mtt) REVERT: C 4674 GLU cc_start: 0.9530 (OUTLIER) cc_final: 0.9229 (tp30) REVERT: C 4780 PHE cc_start: 0.9342 (OUTLIER) cc_final: 0.8948 (m-80) REVERT: C 4807 PHE cc_start: 0.7036 (OUTLIER) cc_final: 0.6337 (p90) REVERT: C 4849 TYR cc_start: 0.8909 (OUTLIER) cc_final: 0.8335 (t80) REVERT: C 4886 HIS cc_start: 0.9240 (OUTLIER) cc_final: 0.8557 (m90) REVERT: C 4901 ILE cc_start: 0.6679 (OUTLIER) cc_final: 0.6369 (tp) REVERT: C 4912 TYR cc_start: 0.8879 (OUTLIER) cc_final: 0.8677 (t80) REVERT: C 4913 ARG cc_start: 0.8025 (OUTLIER) cc_final: 0.7758 (ttm170) REVERT: C 4989 MET cc_start: 0.9065 (mmp) cc_final: 0.8513 (mmp) REVERT: C 4991 PHE cc_start: 0.9559 (OUTLIER) cc_final: 0.8789 (t80) REVERT: C 5014 TYR cc_start: 0.9491 (OUTLIER) cc_final: 0.9106 (t80) REVERT: D 12 GLN cc_start: 0.7886 (OUTLIER) cc_final: 0.7486 (mm110) REVERT: D 15 ARG cc_start: 0.8207 (OUTLIER) cc_final: 0.7733 (mtm-85) REVERT: D 67 PHE cc_start: 0.9203 (OUTLIER) cc_final: 0.8796 (m-10) REVERT: D 121 LEU cc_start: 0.8611 (OUTLIER) cc_final: 0.7939 (mm) REVERT: D 152 PRO cc_start: 0.9484 (OUTLIER) cc_final: 0.9189 (Cg_exo) REVERT: D 189 LEU cc_start: 0.9358 (OUTLIER) cc_final: 0.8906 (mt) REVERT: D 247 TYR cc_start: 0.8904 (OUTLIER) cc_final: 0.8362 (m-80) REVERT: D 275 ARG cc_start: 0.8471 (OUTLIER) cc_final: 0.8069 (mtm180) REVERT: D 283 ARG cc_start: 0.9119 (OUTLIER) cc_final: 0.8630 (ttt-90) REVERT: D 394 GLN cc_start: 0.7282 (OUTLIER) cc_final: 0.6656 (mp10) REVERT: D 396 GLU cc_start: 0.9254 (OUTLIER) cc_final: 0.8648 (pp20) REVERT: D 411 TYR cc_start: 0.9201 (OUTLIER) cc_final: 0.8764 (m-80) REVERT: D 475 GLN cc_start: 0.9233 (OUTLIER) cc_final: 0.9016 (pm20) REVERT: D 497 TYR cc_start: 0.9128 (OUTLIER) cc_final: 0.8239 (m-80) REVERT: D 625 LEU cc_start: 0.8802 (OUTLIER) cc_final: 0.8477 (tt) REVERT: D 663 TYR cc_start: 0.7189 (OUTLIER) cc_final: 0.6398 (t80) REVERT: D 690 GLU cc_start: 0.4690 (OUTLIER) cc_final: 0.4434 (mp0) REVERT: D 714 TYR cc_start: 0.8119 (OUTLIER) cc_final: 0.7388 (m-80) REVERT: D 1076 ARG cc_start: 0.9199 (OUTLIER) cc_final: 0.7988 (ptt90) REVERT: D 1093 GLU cc_start: 0.8494 (OUTLIER) cc_final: 0.7955 (tm-30) REVERT: D 1100 MET cc_start: 0.8239 (pmm) cc_final: 0.7818 (pmm) REVERT: D 1101 ARG cc_start: 0.8253 (OUTLIER) cc_final: 0.7640 (mtt180) REVERT: D 1143 TRP cc_start: 0.7643 (OUTLIER) cc_final: 0.7358 (p90) REVERT: D 1254 HIS cc_start: 0.8794 (OUTLIER) cc_final: 0.8304 (m-70) REVERT: D 1260 MET cc_start: 0.8337 (ppp) cc_final: 0.7635 (ppp) REVERT: D 1590 GLN cc_start: 0.9179 (OUTLIER) cc_final: 0.8306 (tp40) REVERT: D 1605 TRP cc_start: 0.8904 (OUTLIER) cc_final: 0.8210 (m-10) REVERT: D 1648 MET cc_start: 0.9220 (OUTLIER) cc_final: 0.8500 (ttm) REVERT: D 1652 GLU cc_start: 0.9170 (OUTLIER) cc_final: 0.8183 (pp20) REVERT: D 1663 HIS cc_start: 0.8999 (OUTLIER) cc_final: 0.8589 (t70) REVERT: D 1721 GLU cc_start: 0.8944 (OUTLIER) cc_final: 0.8520 (tm-30) REVERT: D 1772 ARG cc_start: 0.8694 (OUTLIER) cc_final: 0.8103 (mmt180) REVERT: D 1810 LYS cc_start: 0.9490 (OUTLIER) cc_final: 0.9266 (tptm) REVERT: D 1813 ARG cc_start: 0.9092 (OUTLIER) cc_final: 0.8635 (ptm-80) REVERT: D 1861 GLN cc_start: 0.8957 (OUTLIER) cc_final: 0.8723 (tm-30) REVERT: D 1928 GLN cc_start: 0.9452 (OUTLIER) cc_final: 0.8913 (mp10) REVERT: D 1929 MET cc_start: 0.8420 (mpt) cc_final: 0.7840 (mpt) REVERT: D 1997 GLU cc_start: 0.8413 (OUTLIER) cc_final: 0.7849 (mp0) REVERT: D 2104 ARG cc_start: 0.9311 (OUTLIER) cc_final: 0.8945 (ptt-90) REVERT: D 2118 ARG cc_start: 0.9223 (OUTLIER) cc_final: 0.8807 (ttp80) REVERT: D 2120 MET cc_start: 0.8977 (OUTLIER) cc_final: 0.8637 (ppp) REVERT: D 2204 HIS cc_start: 0.9630 (OUTLIER) cc_final: 0.9396 (p-80) REVERT: D 2228 MET cc_start: 0.9035 (OUTLIER) cc_final: 0.8743 (mmm) REVERT: D 2330 ARG cc_start: 0.8268 (OUTLIER) cc_final: 0.7809 (ttt180) REVERT: D 2472 LEU cc_start: 0.8532 (OUTLIER) cc_final: 0.8275 (mt) REVERT: D 2827 ARG cc_start: 0.7977 (OUTLIER) cc_final: 0.7302 (mtt90) REVERT: D 2935 TYR cc_start: 0.6210 (OUTLIER) cc_final: 0.5706 (m-80) REVERT: D 3718 GLU cc_start: 0.9444 (OUTLIER) cc_final: 0.8959 (mm-30) REVERT: D 3725 TYR cc_start: 0.9553 (OUTLIER) cc_final: 0.8940 (t80) REVERT: D 3753 PHE cc_start: 0.8453 (OUTLIER) cc_final: 0.7962 (t80) REVERT: D 3778 MET cc_start: 0.9536 (ppp) cc_final: 0.9229 (ppp) REVERT: D 3836 MET cc_start: 0.9226 (OUTLIER) cc_final: 0.8689 (ppp) REVERT: D 3875 MET cc_start: 0.8575 (tpt) cc_final: 0.7971 (tpt) REVERT: D 3890 LEU cc_start: 0.9246 (OUTLIER) cc_final: 0.9039 (tp) REVERT: D 3937 TYR cc_start: 0.8315 (OUTLIER) cc_final: 0.8105 (m-80) REVERT: D 4174 PHE cc_start: 0.9046 (m-80) cc_final: 0.8790 (m-80) REVERT: D 4180 ARG cc_start: 0.6876 (OUTLIER) cc_final: 0.6674 (mtp-110) REVERT: D 4195 PHE cc_start: 0.9162 (OUTLIER) cc_final: 0.8735 (p90) REVERT: D 4205 TRP cc_start: 0.8981 (OUTLIER) cc_final: 0.8668 (t-100) REVERT: D 4212 GLU cc_start: 0.9401 (OUTLIER) cc_final: 0.8977 (pp20) REVERT: D 4630 TYR cc_start: 0.9151 (OUTLIER) cc_final: 0.8825 (t80) REVERT: D 4639 MET cc_start: 0.1253 (ptt) cc_final: 0.0433 (mtt) REVERT: D 4674 GLU cc_start: 0.9550 (OUTLIER) cc_final: 0.9270 (tp30) REVERT: D 4780 PHE cc_start: 0.9355 (OUTLIER) cc_final: 0.8967 (m-80) REVERT: D 4824 ARG cc_start: 0.7191 (OUTLIER) cc_final: 0.5918 (ttt180) REVERT: D 4886 HIS cc_start: 0.9244 (OUTLIER) cc_final: 0.8567 (m90) REVERT: D 4901 ILE cc_start: 0.6629 (OUTLIER) cc_final: 0.6328 (tp) REVERT: D 4913 ARG cc_start: 0.8023 (OUTLIER) cc_final: 0.7752 (ttm170) REVERT: D 4954 MET cc_start: 0.7714 (OUTLIER) cc_final: 0.7196 (mtp) REVERT: D 4980 LEU cc_start: 0.9170 (OUTLIER) cc_final: 0.8921 (mp) REVERT: D 5014 TYR cc_start: 0.9451 (OUTLIER) cc_final: 0.9229 (t80) outliers start: 2736 outliers final: 2295 residues processed: 3098 average time/residue: 0.9359 time to fit residues: 5147.2445 Evaluate side-chains 3022 residues out of total 11344 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2541 poor density : 481 time to evaluate : 8.840 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 12 GLN Chi-restraints excluded: chain A residue 14 LEU Chi-restraints excluded: chain A residue 15 ARG Chi-restraints excluded: chain A residue 16 THR Chi-restraints excluded: chain A residue 17 ASP Chi-restraints excluded: chain A residue 18 ASP Chi-restraints excluded: chain A residue 19 GLU Chi-restraints excluded: chain A residue 29 LEU Chi-restraints excluded: chain A residue 35 LEU Chi-restraints excluded: chain A residue 40 GLU Chi-restraints excluded: chain A residue 44 ASN Chi-restraints excluded: chain A residue 49 LEU Chi-restraints excluded: chain A residue 57 ASN Chi-restraints excluded: chain A residue 62 LEU Chi-restraints excluded: chain A residue 66 CYS Chi-restraints excluded: chain A residue 67 PHE Chi-restraints excluded: chain A residue 69 LEU Chi-restraints excluded: chain A residue 70 GLU Chi-restraints excluded: chain A residue 72 SER Chi-restraints excluded: chain A residue 73 LEU Chi-restraints excluded: chain A residue 74 SER Chi-restraints excluded: chain A residue 75 VAL Chi-restraints excluded: chain A residue 76 ARG Chi-restraints excluded: chain A residue 78 LEU Chi-restraints excluded: chain A residue 81 MET Chi-restraints excluded: chain A residue 100 THR Chi-restraints excluded: chain A residue 109 LEU Chi-restraints excluded: chain A residue 111 HIS Chi-restraints excluded: chain A residue 113 HIS Chi-restraints excluded: chain A residue 121 LEU Chi-restraints excluded: chain A residue 122 THR Chi-restraints excluded: chain A residue 123 THR Chi-restraints excluded: chain A residue 124 SER Chi-restraints excluded: chain A residue 133 PHE Chi-restraints excluded: chain A residue 134 ASP Chi-restraints excluded: chain A residue 135 VAL Chi-restraints excluded: chain A residue 142 THR Chi-restraints excluded: chain A residue 144 GLU Chi-restraints excluded: chain A residue 149 THR Chi-restraints excluded: chain A residue 152 PRO Chi-restraints excluded: chain A residue 156 GLN Chi-restraints excluded: chain A residue 163 VAL Chi-restraints excluded: chain A residue 165 VAL Chi-restraints excluded: chain A residue 167 ASP Chi-restraints excluded: chain A residue 169 LEU Chi-restraints excluded: chain A residue 173 SER Chi-restraints excluded: chain A residue 175 SER Chi-restraints excluded: chain A residue 179 TYR Chi-restraints excluded: chain A residue 183 SER Chi-restraints excluded: chain A residue 189 LEU Chi-restraints excluded: chain A residue 191 VAL Chi-restraints excluded: chain A residue 205 ILE Chi-restraints excluded: chain A residue 206 CYS Chi-restraints excluded: chain A residue 208 CYS Chi-restraints excluded: chain A residue 210 GLU Chi-restraints excluded: chain A residue 211 GLU Chi-restraints excluded: chain A residue 220 LEU Chi-restraints excluded: chain A residue 222 LEU Chi-restraints excluded: chain A residue 238 SER Chi-restraints excluded: chain A residue 244 LEU Chi-restraints excluded: chain A residue 246 TYR Chi-restraints excluded: chain A residue 247 TYR Chi-restraints excluded: chain A residue 257 ARG Chi-restraints excluded: chain A residue 262 LEU Chi-restraints excluded: chain A residue 263 GLU Chi-restraints excluded: chain A residue 270 SER Chi-restraints excluded: chain A residue 282 ILE Chi-restraints excluded: chain A residue 283 ARG Chi-restraints excluded: chain A residue 286 THR Chi-restraints excluded: chain A residue 293 LEU Chi-restraints excluded: chain A residue 299 LEU Chi-restraints excluded: chain A residue 312 THR Chi-restraints excluded: chain A residue 313 SER Chi-restraints excluded: chain A residue 319 SER Chi-restraints excluded: chain A residue 343 GLU Chi-restraints excluded: chain A residue 357 LEU Chi-restraints excluded: chain A residue 358 THR Chi-restraints excluded: chain A residue 359 TYR Chi-restraints excluded: chain A residue 372 LEU Chi-restraints excluded: chain A residue 373 LYS Chi-restraints excluded: chain A residue 390 LEU Chi-restraints excluded: chain A residue 396 GLU Chi-restraints excluded: chain A residue 397 GLU Chi-restraints excluded: chain A residue 398 SER Chi-restraints excluded: chain A residue 403 MET Chi-restraints excluded: chain A residue 404 ILE Chi-restraints excluded: chain A residue 410 LEU Chi-restraints excluded: chain A residue 411 TYR Chi-restraints excluded: chain A residue 415 ILE Chi-restraints excluded: chain A residue 420 SER Chi-restraints excluded: chain A residue 438 ILE Chi-restraints excluded: chain A residue 439 GLU Chi-restraints excluded: chain A residue 442 ILE Chi-restraints excluded: chain A residue 452 PHE Chi-restraints excluded: chain A residue 459 LEU Chi-restraints excluded: chain A residue 469 ARG Chi-restraints excluded: chain A residue 475 GLN Chi-restraints excluded: chain A residue 483 MET Chi-restraints excluded: chain A residue 485 SER Chi-restraints excluded: chain A residue 486 LEU Chi-restraints excluded: chain A residue 487 VAL Chi-restraints excluded: chain A residue 488 LEU Chi-restraints excluded: chain A residue 491 ILE Chi-restraints excluded: chain A residue 497 TYR Chi-restraints excluded: chain A residue 506 TYR Chi-restraints excluded: chain A residue 510 GLU Chi-restraints excluded: chain A residue 513 GLU Chi-restraints excluded: chain A residue 514 SER Chi-restraints excluded: chain A residue 515 TRP Chi-restraints excluded: chain A residue 517 GLU Chi-restraints excluded: chain A residue 519 VAL Chi-restraints excluded: chain A residue 522 LEU Chi-restraints excluded: chain A residue 526 LEU Chi-restraints excluded: chain A residue 529 LEU Chi-restraints excluded: chain A residue 530 ILE Chi-restraints excluded: chain A residue 533 ASN Chi-restraints excluded: chain A residue 536 ASN Chi-restraints excluded: chain A residue 539 LEU Chi-restraints excluded: chain A residue 540 PHE Chi-restraints excluded: chain A residue 541 SER Chi-restraints excluded: chain A residue 547 VAL Chi-restraints excluded: chain A residue 561 LEU Chi-restraints excluded: chain A residue 563 VAL Chi-restraints excluded: chain A residue 564 LEU Chi-restraints excluded: chain A residue 569 ILE Chi-restraints excluded: chain A residue 571 SER Chi-restraints excluded: chain A residue 575 LEU Chi-restraints excluded: chain A residue 579 GLN Chi-restraints excluded: chain A residue 586 ILE Chi-restraints excluded: chain A residue 590 LEU Chi-restraints excluded: chain A residue 591 ASP Chi-restraints excluded: chain A residue 597 HIS Chi-restraints excluded: chain A residue 602 VAL Chi-restraints excluded: chain A residue 605 SER Chi-restraints excluded: chain A residue 609 CYS Chi-restraints excluded: chain A residue 614 VAL Chi-restraints excluded: chain A residue 620 LEU Chi-restraints excluded: chain A residue 621 ILE Chi-restraints excluded: chain A residue 622 THR Chi-restraints excluded: chain A residue 625 LEU Chi-restraints excluded: chain A residue 631 LEU Chi-restraints excluded: chain A residue 633 LEU Chi-restraints excluded: chain A residue 635 THR Chi-restraints excluded: chain A residue 638 ILE Chi-restraints excluded: chain A residue 642 THR Chi-restraints excluded: chain A residue 661 LYS Chi-restraints excluded: chain A residue 663 TYR Chi-restraints excluded: chain A residue 665 GLU Chi-restraints excluded: chain A residue 669 ASP Chi-restraints excluded: chain A residue 672 VAL Chi-restraints excluded: chain A residue 676 THR Chi-restraints excluded: chain A residue 680 THR Chi-restraints excluded: chain A residue 681 HIS Chi-restraints excluded: chain A residue 682 LEU Chi-restraints excluded: chain A residue 690 GLU Chi-restraints excluded: chain A residue 695 TYR Chi-restraints excluded: chain A residue 702 TRP Chi-restraints excluded: chain A residue 709 ASP Chi-restraints excluded: chain A residue 710 ASP Chi-restraints excluded: chain A residue 712 TYR Chi-restraints excluded: chain A residue 714 TYR Chi-restraints excluded: chain A residue 735 GLN Chi-restraints excluded: chain A residue 743 VAL Chi-restraints excluded: chain A residue 748 LEU Chi-restraints excluded: chain A residue 749 ASP Chi-restraints excluded: chain A residue 751 SER Chi-restraints excluded: chain A residue 752 VAL Chi-restraints excluded: chain A residue 754 SER Chi-restraints excluded: chain A residue 756 SER Chi-restraints excluded: chain A residue 771 PHE Chi-restraints excluded: chain A residue 772 ASN Chi-restraints excluded: chain A residue 773 LEU Chi-restraints excluded: chain A residue 783 PHE Chi-restraints excluded: chain A residue 797 HIS Chi-restraints excluded: chain A residue 801 LYS Chi-restraints excluded: chain A residue 802 PHE Chi-restraints excluded: chain A residue 815 VAL Chi-restraints excluded: chain A residue 822 ARG Chi-restraints excluded: chain A residue 839 LEU Chi-restraints excluded: chain A residue 869 ARG Chi-restraints excluded: chain A residue 896 VAL Chi-restraints excluded: chain A residue 900 ASN Chi-restraints excluded: chain A residue 922 LEU Chi-restraints excluded: chain A residue 923 GLN Chi-restraints excluded: chain A residue 925 SER Chi-restraints excluded: chain A residue 948 ASP Chi-restraints excluded: chain A residue 965 TYR Chi-restraints excluded: chain A residue 971 ASP Chi-restraints excluded: chain A residue 972 LEU Chi-restraints excluded: chain A residue 977 LEU Chi-restraints excluded: chain A residue 978 THR Chi-restraints excluded: chain A residue 1036 ARG Chi-restraints excluded: chain A residue 1045 THR Chi-restraints excluded: chain A residue 1072 VAL Chi-restraints excluded: chain A residue 1076 ARG Chi-restraints excluded: chain A residue 1078 GLU Chi-restraints excluded: chain A residue 1081 TYR Chi-restraints excluded: chain A residue 1087 ARG Chi-restraints excluded: chain A residue 1101 ARG Chi-restraints excluded: chain A residue 1108 GLU Chi-restraints excluded: chain A residue 1120 LEU Chi-restraints excluded: chain A residue 1132 TRP Chi-restraints excluded: chain A residue 1133 HIS Chi-restraints excluded: chain A residue 1139 PHE Chi-restraints excluded: chain A residue 1143 TRP Chi-restraints excluded: chain A residue 1155 LEU Chi-restraints excluded: chain A residue 1158 ASN Chi-restraints excluded: chain A residue 1160 ILE Chi-restraints excluded: chain A residue 1163 THR Chi-restraints excluded: chain A residue 1169 LEU Chi-restraints excluded: chain A residue 1170 MET Chi-restraints excluded: chain A residue 1172 ASP Chi-restraints excluded: chain A residue 1184 ILE Chi-restraints excluded: chain A residue 1191 VAL Chi-restraints excluded: chain A residue 1201 HIS Chi-restraints excluded: chain A residue 1203 ASN Chi-restraints excluded: chain A residue 1204 LEU Chi-restraints excluded: chain A residue 1209 SER Chi-restraints excluded: chain A residue 1219 LEU Chi-restraints excluded: chain A residue 1226 PHE Chi-restraints excluded: chain A residue 1240 LYS Chi-restraints excluded: chain A residue 1242 LEU Chi-restraints excluded: chain A residue 1244 GLN Chi-restraints excluded: chain A residue 1248 VAL Chi-restraints excluded: chain A residue 1251 GLU Chi-restraints excluded: chain A residue 1254 HIS Chi-restraints excluded: chain A residue 1266 THR Chi-restraints excluded: chain A residue 1272 LEU Chi-restraints excluded: chain A residue 1575 LEU Chi-restraints excluded: chain A residue 1590 GLN Chi-restraints excluded: chain A residue 1595 LEU Chi-restraints excluded: chain A residue 1597 VAL Chi-restraints excluded: chain A residue 1600 LEU Chi-restraints excluded: chain A residue 1601 MET Chi-restraints excluded: chain A residue 1605 TRP Chi-restraints excluded: chain A residue 1613 LEU Chi-restraints excluded: chain A residue 1630 CYS Chi-restraints excluded: chain A residue 1636 MET Chi-restraints excluded: chain A residue 1639 LEU Chi-restraints excluded: chain A residue 1641 ILE Chi-restraints excluded: chain A residue 1648 MET Chi-restraints excluded: chain A residue 1649 ASP Chi-restraints excluded: chain A residue 1652 GLU Chi-restraints excluded: chain A residue 1654 SER Chi-restraints excluded: chain A residue 1657 LEU Chi-restraints excluded: chain A residue 1658 ASP Chi-restraints excluded: chain A residue 1661 ARG Chi-restraints excluded: chain A residue 1666 THR Chi-restraints excluded: chain A residue 1673 VAL Chi-restraints excluded: chain A residue 1679 ASN Chi-restraints excluded: chain A residue 1680 ARG Chi-restraints excluded: chain A residue 1686 CYS Chi-restraints excluded: chain A residue 1694 LEU Chi-restraints excluded: chain A residue 1695 LEU Chi-restraints excluded: chain A residue 1699 GLU Chi-restraints excluded: chain A residue 1700 ASP Chi-restraints excluded: chain A residue 1703 LEU Chi-restraints excluded: chain A residue 1707 LEU Chi-restraints excluded: chain A residue 1713 ASP Chi-restraints excluded: chain A residue 1720 LEU Chi-restraints excluded: chain A residue 1721 GLU Chi-restraints excluded: chain A residue 1731 LEU Chi-restraints excluded: chain A residue 1738 LEU Chi-restraints excluded: chain A residue 1739 THR Chi-restraints excluded: chain A residue 1743 ARG Chi-restraints excluded: chain A residue 1768 THR Chi-restraints excluded: chain A residue 1770 SER Chi-restraints excluded: chain A residue 1772 ARG Chi-restraints excluded: chain A residue 1778 SER Chi-restraints excluded: chain A residue 1797 ARG Chi-restraints excluded: chain A residue 1798 LEU Chi-restraints excluded: chain A residue 1813 ARG Chi-restraints excluded: chain A residue 1819 VAL Chi-restraints excluded: chain A residue 1844 LEU Chi-restraints excluded: chain A residue 1848 LEU Chi-restraints excluded: chain A residue 1850 VAL Chi-restraints excluded: chain A residue 1853 ILE Chi-restraints excluded: chain A residue 1856 ASP Chi-restraints excluded: chain A residue 1857 GLU Chi-restraints excluded: chain A residue 1863 LEU Chi-restraints excluded: chain A residue 1870 VAL Chi-restraints excluded: chain A residue 1928 GLN Chi-restraints excluded: chain A residue 1934 SER Chi-restraints excluded: chain A residue 1935 VAL Chi-restraints excluded: chain A residue 1939 MET Chi-restraints excluded: chain A residue 1942 LEU Chi-restraints excluded: chain A residue 1947 CYS Chi-restraints excluded: chain A residue 1951 LEU Chi-restraints excluded: chain A residue 1958 LEU Chi-restraints excluded: chain A residue 1963 GLU Chi-restraints excluded: chain A residue 1964 ARG Chi-restraints excluded: chain A residue 1966 VAL Chi-restraints excluded: chain A residue 1968 LYS Chi-restraints excluded: chain A residue 1976 ARG Chi-restraints excluded: chain A residue 1996 ARG Chi-restraints excluded: chain A residue 1997 GLU Chi-restraints excluded: chain A residue 2030 ASP Chi-restraints excluded: chain A residue 2031 LEU Chi-restraints excluded: chain A residue 2034 PHE Chi-restraints excluded: chain A residue 2035 HIS Chi-restraints excluded: chain A residue 2039 LEU Chi-restraints excluded: chain A residue 2095 GLN Chi-restraints excluded: chain A residue 2098 VAL Chi-restraints excluded: chain A residue 2101 MET Chi-restraints excluded: chain A residue 2103 VAL Chi-restraints excluded: chain A residue 2104 ARG Chi-restraints excluded: chain A residue 2115 GLU Chi-restraints excluded: chain A residue 2117 VAL Chi-restraints excluded: chain A residue 2118 ARG Chi-restraints excluded: chain A residue 2120 MET Chi-restraints excluded: chain A residue 2122 SER Chi-restraints excluded: chain A residue 2125 HIS Chi-restraints excluded: chain A residue 2128 TYR Chi-restraints excluded: chain A residue 2138 LEU Chi-restraints excluded: chain A residue 2143 THR Chi-restraints excluded: chain A residue 2145 SER Chi-restraints excluded: chain A residue 2148 SER Chi-restraints excluded: chain A residue 2150 GLU Chi-restraints excluded: chain A residue 2155 LEU Chi-restraints excluded: chain A residue 2164 SER Chi-restraints excluded: chain A residue 2166 LEU Chi-restraints excluded: chain A residue 2169 GLN Chi-restraints excluded: chain A residue 2184 ASN Chi-restraints excluded: chain A residue 2185 ILE Chi-restraints excluded: chain A residue 2187 ASN Chi-restraints excluded: chain A residue 2189 LYS Chi-restraints excluded: chain A residue 2198 MET Chi-restraints excluded: chain A residue 2203 MET Chi-restraints excluded: chain A residue 2204 HIS Chi-restraints excluded: chain A residue 2207 VAL Chi-restraints excluded: chain A residue 2225 PHE Chi-restraints excluded: chain A residue 2228 MET Chi-restraints excluded: chain A residue 2229 VAL Chi-restraints excluded: chain A residue 2231 SER Chi-restraints excluded: chain A residue 2232 CYS Chi-restraints excluded: chain A residue 2237 CYS Chi-restraints excluded: chain A residue 2245 GLN Chi-restraints excluded: chain A residue 2246 ASN Chi-restraints excluded: chain A residue 2248 ARG Chi-restraints excluded: chain A residue 2254 LEU Chi-restraints excluded: chain A residue 2256 TYR Chi-restraints excluded: chain A residue 2258 LEU Chi-restraints excluded: chain A residue 2260 ASN Chi-restraints excluded: chain A residue 2265 LEU Chi-restraints excluded: chain A residue 2274 ASP Chi-restraints excluded: chain A residue 2275 VAL Chi-restraints excluded: chain A residue 2279 SER Chi-restraints excluded: chain A residue 2280 VAL Chi-restraints excluded: chain A residue 2281 ILE Chi-restraints excluded: chain A residue 2292 GLU Chi-restraints excluded: chain A residue 2298 VAL Chi-restraints excluded: chain A residue 2330 ARG Chi-restraints excluded: chain A residue 2334 PHE Chi-restraints excluded: chain A residue 2339 VAL Chi-restraints excluded: chain A residue 2346 VAL Chi-restraints excluded: chain A residue 2348 GLU Chi-restraints excluded: chain A residue 2349 ASN Chi-restraints excluded: chain A residue 2353 VAL Chi-restraints excluded: chain A residue 2354 VAL Chi-restraints excluded: chain A residue 2356 LEU Chi-restraints excluded: chain A residue 2357 LEU Chi-restraints excluded: chain A residue 2368 LEU Chi-restraints excluded: chain A residue 2376 LEU Chi-restraints excluded: chain A residue 2377 LEU Chi-restraints excluded: chain A residue 2380 ILE Chi-restraints excluded: chain A residue 2418 LEU Chi-restraints excluded: chain A residue 2432 LEU Chi-restraints excluded: chain A residue 2433 LEU Chi-restraints excluded: chain A residue 2449 GLU Chi-restraints excluded: chain A residue 2451 LEU Chi-restraints excluded: chain A residue 2454 ARG Chi-restraints excluded: chain A residue 2457 LEU Chi-restraints excluded: chain A residue 2460 LEU Chi-restraints excluded: chain A residue 2463 LEU Chi-restraints excluded: chain A residue 2466 LEU Chi-restraints excluded: chain A residue 2472 LEU Chi-restraints excluded: chain A residue 2747 ILE Chi-restraints excluded: chain A residue 2752 ASP Chi-restraints excluded: chain A residue 2766 TRP Chi-restraints excluded: chain A residue 2792 ARG Chi-restraints excluded: chain A residue 2796 THR Chi-restraints excluded: chain A residue 2799 GLU Chi-restraints excluded: chain A residue 2809 ILE Chi-restraints excluded: chain A residue 2821 TRP Chi-restraints excluded: chain A residue 2827 ARG Chi-restraints excluded: chain A residue 2855 TYR Chi-restraints excluded: chain A residue 2856 ASN Chi-restraints excluded: chain A residue 2862 LEU Chi-restraints excluded: chain A residue 2867 LEU Chi-restraints excluded: chain A residue 2868 SER Chi-restraints excluded: chain A residue 2881 ASN Chi-restraints excluded: chain A residue 2888 ARG Chi-restraints excluded: chain A residue 2889 LYS Chi-restraints excluded: chain A residue 2905 LEU Chi-restraints excluded: chain A residue 2906 VAL Chi-restraints excluded: chain A residue 2910 THR Chi-restraints excluded: chain A residue 2911 LEU Chi-restraints excluded: chain A residue 2929 PHE Chi-restraints excluded: chain A residue 2935 TYR Chi-restraints excluded: chain A residue 2938 THR Chi-restraints excluded: chain A residue 3639 THR Chi-restraints excluded: chain A residue 3644 LEU Chi-restraints excluded: chain A residue 3646 THR Chi-restraints excluded: chain A residue 3651 ASN Chi-restraints excluded: chain A residue 3652 MET Chi-restraints excluded: chain A residue 3657 TYR Chi-restraints excluded: chain A residue 3661 TRP Chi-restraints excluded: chain A residue 3663 LEU Chi-restraints excluded: chain A residue 3665 GLU Chi-restraints excluded: chain A residue 3666 ASP Chi-restraints excluded: chain A residue 3676 ASP Chi-restraints excluded: chain A residue 3679 LYS Chi-restraints excluded: chain A residue 3697 PRO Chi-restraints excluded: chain A residue 3698 LEU Chi-restraints excluded: chain A residue 3702 VAL Chi-restraints excluded: chain A residue 3708 THR Chi-restraints excluded: chain A residue 3711 THR Chi-restraints excluded: chain A residue 3714 SER Chi-restraints excluded: chain A residue 3717 ASP Chi-restraints excluded: chain A residue 3718 GLU Chi-restraints excluded: chain A residue 3720 TYR Chi-restraints excluded: chain A residue 3725 TYR Chi-restraints excluded: chain A residue 3727 ASP Chi-restraints excluded: chain A residue 3753 PHE Chi-restraints excluded: chain A residue 3759 GLU Chi-restraints excluded: chain A residue 3763 LEU Chi-restraints excluded: chain A residue 3766 GLN Chi-restraints excluded: chain A residue 3773 ARG Chi-restraints excluded: chain A residue 3780 LEU Chi-restraints excluded: chain A residue 3786 CYS Chi-restraints excluded: chain A residue 3787 LYS Chi-restraints excluded: chain A residue 3790 THR Chi-restraints excluded: chain A residue 3796 SER Chi-restraints excluded: chain A residue 3797 THR Chi-restraints excluded: chain A residue 3798 LEU Chi-restraints excluded: chain A residue 3802 ILE Chi-restraints excluded: chain A residue 3811 GLU Chi-restraints excluded: chain A residue 3816 MET Chi-restraints excluded: chain A residue 3822 ASP Chi-restraints excluded: chain A residue 3828 PHE Chi-restraints excluded: chain A residue 3836 MET Chi-restraints excluded: chain A residue 3838 THR Chi-restraints excluded: chain A residue 3842 LEU Chi-restraints excluded: chain A residue 3843 ASP Chi-restraints excluded: chain A residue 3844 LEU Chi-restraints excluded: chain A residue 3847 PHE Chi-restraints excluded: chain A residue 3881 THR Chi-restraints excluded: chain A residue 3882 GLN Chi-restraints excluded: chain A residue 3883 ASP Chi-restraints excluded: chain A residue 3884 LEU Chi-restraints excluded: chain A residue 3891 LEU Chi-restraints excluded: chain A residue 3895 HIS Chi-restraints excluded: chain A residue 3900 GLN Chi-restraints excluded: chain A residue 3902 TYR Chi-restraints excluded: chain A residue 3907 THR Chi-restraints excluded: chain A residue 3909 ASN Chi-restraints excluded: chain A residue 3913 ILE Chi-restraints excluded: chain A residue 3915 ILE Chi-restraints excluded: chain A residue 3916 ILE Chi-restraints excluded: chain A residue 3917 ILE Chi-restraints excluded: chain A residue 3920 VAL Chi-restraints excluded: chain A residue 3924 LEU Chi-restraints excluded: chain A residue 3927 GLN Chi-restraints excluded: chain A residue 3928 GLU Chi-restraints excluded: chain A residue 3929 SER Chi-restraints excluded: chain A residue 3931 SER Chi-restraints excluded: chain A residue 3932 ASP Chi-restraints excluded: chain A residue 3944 GLU Chi-restraints excluded: chain A residue 3946 GLN Chi-restraints excluded: chain A residue 3948 LYS Chi-restraints excluded: chain A residue 3953 LYS Chi-restraints excluded: chain A residue 3957 VAL Chi-restraints excluded: chain A residue 3959 LYS Chi-restraints excluded: chain A residue 3961 VAL Chi-restraints excluded: chain A residue 3963 ASN Chi-restraints excluded: chain A residue 3964 SER Chi-restraints excluded: chain A residue 3974 THR Chi-restraints excluded: chain A residue 3979 SER Chi-restraints excluded: chain A residue 3982 HIS Chi-restraints excluded: chain A residue 3986 TRP Chi-restraints excluded: chain A residue 3987 ASP Chi-restraints excluded: chain A residue 3990 VAL Chi-restraints excluded: chain A residue 3996 PHE Chi-restraints excluded: chain A residue 4011 GLU Chi-restraints excluded: chain A residue 4013 LEU Chi-restraints excluded: chain A residue 4022 ASP Chi-restraints excluded: chain A residue 4023 MET Chi-restraints excluded: chain A residue 4025 VAL Chi-restraints excluded: chain A residue 4040 ILE Chi-restraints excluded: chain A residue 4044 MET Chi-restraints excluded: chain A residue 4045 VAL Chi-restraints excluded: chain A residue 4046 ASP Chi-restraints excluded: chain A residue 4049 VAL Chi-restraints excluded: chain A residue 4055 VAL Chi-restraints excluded: chain A residue 4058 ILE Chi-restraints excluded: chain A residue 4059 LEU Chi-restraints excluded: chain A residue 4063 ASP Chi-restraints excluded: chain A residue 4066 LEU Chi-restraints excluded: chain A residue 4071 ILE Chi-restraints excluded: chain A residue 4090 LYS Chi-restraints excluded: chain A residue 4095 LYS Chi-restraints excluded: chain A residue 4099 SER Chi-restraints excluded: chain A residue 4102 GLN Chi-restraints excluded: chain A residue 4109 GLN Chi-restraints excluded: chain A residue 4121 GLU Chi-restraints excluded: chain A residue 4134 GLU Chi-restraints excluded: chain A residue 4139 ILE Chi-restraints excluded: chain A residue 4142 ASN Chi-restraints excluded: chain A residue 4143 VAL Chi-restraints excluded: chain A residue 4150 LEU Chi-restraints excluded: chain A residue 4151 SER Chi-restraints excluded: chain A residue 4157 ASP Chi-restraints excluded: chain A residue 4159 ARG Chi-restraints excluded: chain A residue 4160 LEU Chi-restraints excluded: chain A residue 4162 ASN Chi-restraints excluded: chain A residue 4164 LEU Chi-restraints excluded: chain A residue 4166 LEU Chi-restraints excluded: chain A residue 4178 LEU Chi-restraints excluded: chain A residue 4180 ARG Chi-restraints excluded: chain A residue 4181 ILE Chi-restraints excluded: chain A residue 4190 ILE Chi-restraints excluded: chain A residue 4200 THR Chi-restraints excluded: chain A residue 4202 ARG Chi-restraints excluded: chain A residue 4212 GLU Chi-restraints excluded: chain A residue 4237 PHE Chi-restraints excluded: chain A residue 4238 CYS Chi-restraints excluded: chain A residue 4244 GLU Chi-restraints excluded: chain A residue 4250 GLN Chi-restraints excluded: chain A residue 4251 ILE Chi-restraints excluded: chain A residue 4252 SER Chi-restraints excluded: chain A residue 4546 VAL Chi-restraints excluded: chain A residue 4547 GLN Chi-restraints excluded: chain A residue 4549 VAL Chi-restraints excluded: chain A residue 4558 ASN Chi-restraints excluded: chain A residue 4559 PHE Chi-restraints excluded: chain A residue 4563 ARG Chi-restraints excluded: chain A residue 4565 LEU Chi-restraints excluded: chain A residue 4571 PHE Chi-restraints excluded: chain A residue 4573 ILE Chi-restraints excluded: chain A residue 4575 PHE Chi-restraints excluded: chain A residue 4576 ILE Chi-restraints excluded: chain A residue 4577 LEU Chi-restraints excluded: chain A residue 4578 LEU Chi-restraints excluded: chain A residue 4582 VAL Chi-restraints excluded: chain A residue 4630 TYR Chi-restraints excluded: chain A residue 4631 PHE Chi-restraints excluded: chain A residue 4632 LEU Chi-restraints excluded: chain A residue 4633 GLU Chi-restraints excluded: chain A residue 4635 SER Chi-restraints excluded: chain A residue 4638 TYR Chi-restraints excluded: chain A residue 4646 LEU Chi-restraints excluded: chain A residue 4648 LEU Chi-restraints excluded: chain A residue 4649 LEU Chi-restraints excluded: chain A residue 4651 THR Chi-restraints excluded: chain A residue 4652 LEU Chi-restraints excluded: chain A residue 4653 VAL Chi-restraints excluded: chain A residue 4656 LEU Chi-restraints excluded: chain A residue 4657 CYS Chi-restraints excluded: chain A residue 4663 CYS Chi-restraints excluded: chain A residue 4666 VAL Chi-restraints excluded: chain A residue 4668 LEU Chi-restraints excluded: chain A residue 4671 PHE Chi-restraints excluded: chain A residue 4674 GLU Chi-restraints excluded: chain A residue 4676 GLU Chi-restraints excluded: chain A residue 4677 LEU Chi-restraints excluded: chain A residue 4682 GLU Chi-restraints excluded: chain A residue 4684 ASP Chi-restraints excluded: chain A residue 4686 LEU Chi-restraints excluded: chain A residue 4688 ILE Chi-restraints excluded: chain A residue 4701 TRP Chi-restraints excluded: chain A residue 4710 SER Chi-restraints excluded: chain A residue 4714 ASN Chi-restraints excluded: chain A residue 4723 LYS Chi-restraints excluded: chain A residue 4727 LYS Chi-restraints excluded: chain A residue 4731 ILE Chi-restraints excluded: chain A residue 4736 ARG Chi-restraints excluded: chain A residue 4739 GLU Chi-restraints excluded: chain A residue 4747 SER Chi-restraints excluded: chain A residue 4770 SER Chi-restraints excluded: chain A residue 4771 ILE Chi-restraints excluded: chain A residue 4774 LYS Chi-restraints excluded: chain A residue 4780 PHE Chi-restraints excluded: chain A residue 4783 ILE Chi-restraints excluded: chain A residue 4786 ASP Chi-restraints excluded: chain A residue 4790 LEU Chi-restraints excluded: chain A residue 4794 TRP Chi-restraints excluded: chain A residue 4797 VAL Chi-restraints excluded: chain A residue 4800 LEU Chi-restraints excluded: chain A residue 4807 PHE Chi-restraints excluded: chain A residue 4814 LEU Chi-restraints excluded: chain A residue 4818 MET Chi-restraints excluded: chain A residue 4822 THR Chi-restraints excluded: chain A residue 4827 LEU Chi-restraints excluded: chain A residue 4830 VAL Chi-restraints excluded: chain A residue 4836 GLN Chi-restraints excluded: chain A residue 4838 VAL Chi-restraints excluded: chain A residue 4844 LEU Chi-restraints excluded: chain A residue 4849 TYR Chi-restraints excluded: chain A residue 4852 THR Chi-restraints excluded: chain A residue 4854 VAL Chi-restraints excluded: chain A residue 4864 ASN Chi-restraints excluded: chain A residue 4867 GLU Chi-restraints excluded: chain A residue 4877 ASP Chi-restraints excluded: chain A residue 4886 HIS Chi-restraints excluded: chain A residue 4901 ILE Chi-restraints excluded: chain A residue 4904 PRO Chi-restraints excluded: chain A residue 4913 ARG Chi-restraints excluded: chain A residue 4915 VAL Chi-restraints excluded: chain A residue 4918 ILE Chi-restraints excluded: chain A residue 4919 THR Chi-restraints excluded: chain A residue 4920 PHE Chi-restraints excluded: chain A residue 4921 PHE Chi-restraints excluded: chain A residue 4936 ILE Chi-restraints excluded: chain A residue 4943 LEU Chi-restraints excluded: chain A residue 4945 ASP Chi-restraints excluded: chain A residue 4950 VAL Chi-restraints excluded: chain A residue 4956 THR Chi-restraints excluded: chain A residue 4959 PHE Chi-restraints excluded: chain A residue 4983 HIS Chi-restraints excluded: chain A residue 4984 ASN Chi-restraints excluded: chain A residue 4985 LEU Chi-restraints excluded: chain A residue 4990 PHE Chi-restraints excluded: chain A residue 4994 TYR Chi-restraints excluded: chain A residue 4998 LYS Chi-restraints excluded: chain A residue 5004 THR Chi-restraints excluded: chain A residue 5010 VAL Chi-restraints excluded: chain A residue 5013 MET Chi-restraints excluded: chain A residue 5014 TYR Chi-restraints excluded: chain A residue 5016 GLU Chi-restraints excluded: chain A residue 5020 ASP Chi-restraints excluded: chain A residue 5027 CYS Chi-restraints excluded: chain A residue 5030 LYS Chi-restraints excluded: chain B residue 12 GLN Chi-restraints excluded: chain B residue 15 ARG Chi-restraints excluded: chain B residue 16 THR Chi-restraints excluded: chain B residue 17 ASP Chi-restraints excluded: chain B residue 19 GLU Chi-restraints excluded: chain B residue 29 LEU Chi-restraints excluded: chain B residue 35 LEU Chi-restraints excluded: chain B residue 40 GLU Chi-restraints excluded: chain B residue 44 ASN Chi-restraints excluded: chain B residue 49 LEU Chi-restraints excluded: chain B residue 52 THR Chi-restraints excluded: chain B residue 57 ASN Chi-restraints excluded: chain B residue 66 CYS Chi-restraints excluded: chain B residue 67 PHE Chi-restraints excluded: chain B residue 69 LEU Chi-restraints excluded: chain B residue 70 GLU Chi-restraints excluded: chain B residue 72 SER Chi-restraints excluded: chain B residue 73 LEU Chi-restraints excluded: chain B residue 74 SER Chi-restraints excluded: chain B residue 75 VAL Chi-restraints excluded: chain B residue 76 ARG Chi-restraints excluded: chain B residue 78 LEU Chi-restraints excluded: chain B residue 81 MET Chi-restraints excluded: chain B residue 100 THR Chi-restraints excluded: chain B residue 102 LEU Chi-restraints excluded: chain B residue 109 LEU Chi-restraints excluded: chain B residue 111 HIS Chi-restraints excluded: chain B residue 113 HIS Chi-restraints excluded: chain B residue 121 LEU Chi-restraints excluded: chain B residue 122 THR Chi-restraints excluded: chain B residue 123 THR Chi-restraints excluded: chain B residue 124 SER Chi-restraints excluded: chain B residue 133 PHE Chi-restraints excluded: chain B residue 134 ASP Chi-restraints excluded: chain B residue 135 VAL Chi-restraints excluded: chain B residue 142 THR Chi-restraints excluded: chain B residue 144 GLU Chi-restraints excluded: chain B residue 149 THR Chi-restraints excluded: chain B residue 152 PRO Chi-restraints excluded: chain B residue 156 GLN Chi-restraints excluded: chain B residue 163 VAL Chi-restraints excluded: chain B residue 165 VAL Chi-restraints excluded: chain B residue 167 ASP Chi-restraints excluded: chain B residue 169 LEU Chi-restraints excluded: chain B residue 173 SER Chi-restraints excluded: chain B residue 175 SER Chi-restraints excluded: chain B residue 179 TYR Chi-restraints excluded: chain B residue 181 HIS Chi-restraints excluded: chain B residue 183 SER Chi-restraints excluded: chain B residue 189 LEU Chi-restraints excluded: chain B residue 191 VAL Chi-restraints excluded: chain B residue 205 ILE Chi-restraints excluded: chain B residue 206 CYS Chi-restraints excluded: chain B residue 208 CYS Chi-restraints excluded: chain B residue 210 GLU Chi-restraints excluded: chain B residue 211 GLU Chi-restraints excluded: chain B residue 220 LEU Chi-restraints excluded: chain B residue 222 LEU Chi-restraints excluded: chain B residue 238 SER Chi-restraints excluded: chain B residue 244 LEU Chi-restraints excluded: chain B residue 246 TYR Chi-restraints excluded: chain B residue 247 TYR Chi-restraints excluded: chain B residue 257 ARG Chi-restraints excluded: chain B residue 262 LEU Chi-restraints excluded: chain B residue 270 SER Chi-restraints excluded: chain B residue 275 ARG Chi-restraints excluded: chain B residue 282 ILE Chi-restraints excluded: chain B residue 283 ARG Chi-restraints excluded: chain B residue 286 THR Chi-restraints excluded: chain B residue 293 LEU Chi-restraints excluded: chain B residue 294 THR Chi-restraints excluded: chain B residue 299 LEU Chi-restraints excluded: chain B residue 312 THR Chi-restraints excluded: chain B residue 313 SER Chi-restraints excluded: chain B residue 315 CYS Chi-restraints excluded: chain B residue 319 SER Chi-restraints excluded: chain B residue 343 GLU Chi-restraints excluded: chain B residue 357 LEU Chi-restraints excluded: chain B residue 359 TYR Chi-restraints excluded: chain B residue 372 LEU Chi-restraints excluded: chain B residue 373 LYS Chi-restraints excluded: chain B residue 390 LEU Chi-restraints excluded: chain B residue 393 CYS Chi-restraints excluded: chain B residue 396 GLU Chi-restraints excluded: chain B residue 398 SER Chi-restraints excluded: chain B residue 403 MET Chi-restraints excluded: chain B residue 404 ILE Chi-restraints excluded: chain B residue 410 LEU Chi-restraints excluded: chain B residue 411 TYR Chi-restraints excluded: chain B residue 415 ILE Chi-restraints excluded: chain B residue 420 SER Chi-restraints excluded: chain B residue 438 ILE Chi-restraints excluded: chain B residue 439 GLU Chi-restraints excluded: chain B residue 452 PHE Chi-restraints excluded: chain B residue 453 GLU Chi-restraints excluded: chain B residue 459 LEU Chi-restraints excluded: chain B residue 460 GLN Chi-restraints excluded: chain B residue 462 GLU Chi-restraints excluded: chain B residue 463 GLU Chi-restraints excluded: chain B residue 469 ARG Chi-restraints excluded: chain B residue 475 GLN Chi-restraints excluded: chain B residue 483 MET Chi-restraints excluded: chain B residue 485 SER Chi-restraints excluded: chain B residue 486 LEU Chi-restraints excluded: chain B residue 487 VAL Chi-restraints excluded: chain B residue 488 LEU Chi-restraints excluded: chain B residue 491 ILE Chi-restraints excluded: chain B residue 497 TYR Chi-restraints excluded: chain B residue 506 TYR Chi-restraints excluded: chain B residue 510 GLU Chi-restraints excluded: chain B residue 513 GLU Chi-restraints excluded: chain B residue 514 SER Chi-restraints excluded: chain B residue 515 TRP Chi-restraints excluded: chain B residue 517 GLU Chi-restraints excluded: chain B residue 519 VAL Chi-restraints excluded: chain B residue 522 LEU Chi-restraints excluded: chain B residue 526 LEU Chi-restraints excluded: chain B residue 530 ILE Chi-restraints excluded: chain B residue 533 ASN Chi-restraints excluded: chain B residue 536 ASN Chi-restraints excluded: chain B residue 539 LEU Chi-restraints excluded: chain B residue 540 PHE Chi-restraints excluded: chain B residue 541 SER Chi-restraints excluded: chain B residue 547 VAL Chi-restraints excluded: chain B residue 561 LEU Chi-restraints excluded: chain B residue 563 VAL Chi-restraints excluded: chain B residue 564 LEU Chi-restraints excluded: chain B residue 569 ILE Chi-restraints excluded: chain B residue 571 SER Chi-restraints excluded: chain B residue 575 LEU Chi-restraints excluded: chain B residue 579 GLN Chi-restraints excluded: chain B residue 586 ILE Chi-restraints excluded: chain B residue 590 LEU Chi-restraints excluded: chain B residue 591 ASP Chi-restraints excluded: chain B residue 597 HIS Chi-restraints excluded: chain B residue 602 VAL Chi-restraints excluded: chain B residue 605 SER Chi-restraints excluded: chain B residue 609 CYS Chi-restraints excluded: chain B residue 614 VAL Chi-restraints excluded: chain B residue 621 ILE Chi-restraints excluded: chain B residue 622 THR Chi-restraints excluded: chain B residue 625 LEU Chi-restraints excluded: chain B residue 631 LEU Chi-restraints excluded: chain B residue 633 LEU Chi-restraints excluded: chain B residue 635 THR Chi-restraints excluded: chain B residue 638 ILE Chi-restraints excluded: chain B residue 642 THR Chi-restraints excluded: chain B residue 661 LYS Chi-restraints excluded: chain B residue 663 TYR Chi-restraints excluded: chain B residue 665 GLU Chi-restraints excluded: chain B residue 669 ASP Chi-restraints excluded: chain B residue 672 VAL Chi-restraints excluded: chain B residue 676 THR Chi-restraints excluded: chain B residue 680 THR Chi-restraints excluded: chain B residue 682 LEU Chi-restraints excluded: chain B residue 690 GLU Chi-restraints excluded: chain B residue 695 TYR Chi-restraints excluded: chain B residue 702 TRP Chi-restraints excluded: chain B residue 710 ASP Chi-restraints excluded: chain B residue 712 TYR Chi-restraints excluded: chain B residue 714 TYR Chi-restraints excluded: chain B residue 719 LEU Chi-restraints excluded: chain B residue 735 GLN Chi-restraints excluded: chain B residue 743 VAL Chi-restraints excluded: chain B residue 748 LEU Chi-restraints excluded: chain B residue 751 SER Chi-restraints excluded: chain B residue 752 VAL Chi-restraints excluded: chain B residue 754 SER Chi-restraints excluded: chain B residue 756 SER Chi-restraints excluded: chain B residue 771 PHE Chi-restraints excluded: chain B residue 773 LEU Chi-restraints excluded: chain B residue 783 PHE Chi-restraints excluded: chain B residue 797 HIS Chi-restraints excluded: chain B residue 801 LYS Chi-restraints excluded: chain B residue 802 PHE Chi-restraints excluded: chain B residue 815 VAL Chi-restraints excluded: chain B residue 822 ARG Chi-restraints excluded: chain B residue 829 TYR Chi-restraints excluded: chain B residue 839 LEU Chi-restraints excluded: chain B residue 840 VAL Chi-restraints excluded: chain B residue 869 ARG Chi-restraints excluded: chain B residue 896 VAL Chi-restraints excluded: chain B residue 900 ASN Chi-restraints excluded: chain B residue 922 LEU Chi-restraints excluded: chain B residue 923 GLN Chi-restraints excluded: chain B residue 925 SER Chi-restraints excluded: chain B residue 948 ASP Chi-restraints excluded: chain B residue 965 TYR Chi-restraints excluded: chain B residue 971 ASP Chi-restraints excluded: chain B residue 972 LEU Chi-restraints excluded: chain B residue 977 LEU Chi-restraints excluded: chain B residue 978 THR Chi-restraints excluded: chain B residue 1036 ARG Chi-restraints excluded: chain B residue 1045 THR Chi-restraints excluded: chain B residue 1072 VAL Chi-restraints excluded: chain B residue 1076 ARG Chi-restraints excluded: chain B residue 1078 GLU Chi-restraints excluded: chain B residue 1081 TYR Chi-restraints excluded: chain B residue 1087 ARG Chi-restraints excluded: chain B residue 1101 ARG Chi-restraints excluded: chain B residue 1108 GLU Chi-restraints excluded: chain B residue 1120 LEU Chi-restraints excluded: chain B residue 1127 HIS Chi-restraints excluded: chain B residue 1132 TRP Chi-restraints excluded: chain B residue 1133 HIS Chi-restraints excluded: chain B residue 1134 LEU Chi-restraints excluded: chain B residue 1139 PHE Chi-restraints excluded: chain B residue 1143 TRP Chi-restraints excluded: chain B residue 1153 ILE Chi-restraints excluded: chain B residue 1155 LEU Chi-restraints excluded: chain B residue 1158 ASN Chi-restraints excluded: chain B residue 1160 ILE Chi-restraints excluded: chain B residue 1163 THR Chi-restraints excluded: chain B residue 1169 LEU Chi-restraints excluded: chain B residue 1172 ASP Chi-restraints excluded: chain B residue 1184 ILE Chi-restraints excluded: chain B residue 1191 VAL Chi-restraints excluded: chain B residue 1201 HIS Chi-restraints excluded: chain B residue 1203 ASN Chi-restraints excluded: chain B residue 1204 LEU Chi-restraints excluded: chain B residue 1209 SER Chi-restraints excluded: chain B residue 1219 LEU Chi-restraints excluded: chain B residue 1226 PHE Chi-restraints excluded: chain B residue 1235 THR Chi-restraints excluded: chain B residue 1240 LYS Chi-restraints excluded: chain B residue 1242 LEU Chi-restraints excluded: chain B residue 1244 GLN Chi-restraints excluded: chain B residue 1248 VAL Chi-restraints excluded: chain B residue 1251 GLU Chi-restraints excluded: chain B residue 1254 HIS Chi-restraints excluded: chain B residue 1266 THR Chi-restraints excluded: chain B residue 1272 LEU Chi-restraints excluded: chain B residue 1575 LEU Chi-restraints excluded: chain B residue 1590 GLN Chi-restraints excluded: chain B residue 1597 VAL Chi-restraints excluded: chain B residue 1600 LEU Chi-restraints excluded: chain B residue 1601 MET Chi-restraints excluded: chain B residue 1605 TRP Chi-restraints excluded: chain B residue 1613 LEU Chi-restraints excluded: chain B residue 1630 CYS Chi-restraints excluded: chain B residue 1636 MET Chi-restraints excluded: chain B residue 1639 LEU Chi-restraints excluded: chain B residue 1641 ILE Chi-restraints excluded: chain B residue 1648 MET Chi-restraints excluded: chain B residue 1649 ASP Chi-restraints excluded: chain B residue 1652 GLU Chi-restraints excluded: chain B residue 1654 SER Chi-restraints excluded: chain B residue 1657 LEU Chi-restraints excluded: chain B residue 1658 ASP Chi-restraints excluded: chain B residue 1661 ARG Chi-restraints excluded: chain B residue 1666 THR Chi-restraints excluded: chain B residue 1673 VAL Chi-restraints excluded: chain B residue 1679 ASN Chi-restraints excluded: chain B residue 1680 ARG Chi-restraints excluded: chain B residue 1686 CYS Chi-restraints excluded: chain B residue 1694 LEU Chi-restraints excluded: chain B residue 1695 LEU Chi-restraints excluded: chain B residue 1699 GLU Chi-restraints excluded: chain B residue 1700 ASP Chi-restraints excluded: chain B residue 1703 LEU Chi-restraints excluded: chain B residue 1707 LEU Chi-restraints excluded: chain B residue 1713 ASP Chi-restraints excluded: chain B residue 1720 LEU Chi-restraints excluded: chain B residue 1721 GLU Chi-restraints excluded: chain B residue 1731 LEU Chi-restraints excluded: chain B residue 1738 LEU Chi-restraints excluded: chain B residue 1739 THR Chi-restraints excluded: chain B residue 1743 ARG Chi-restraints excluded: chain B residue 1768 THR Chi-restraints excluded: chain B residue 1770 SER Chi-restraints excluded: chain B residue 1772 ARG Chi-restraints excluded: chain B residue 1778 SER Chi-restraints excluded: chain B residue 1782 PHE Chi-restraints excluded: chain B residue 1797 ARG Chi-restraints excluded: chain B residue 1798 LEU Chi-restraints excluded: chain B residue 1813 ARG Chi-restraints excluded: chain B residue 1819 VAL Chi-restraints excluded: chain B residue 1844 LEU Chi-restraints excluded: chain B residue 1848 LEU Chi-restraints excluded: chain B residue 1850 VAL Chi-restraints excluded: chain B residue 1853 ILE Chi-restraints excluded: chain B residue 1856 ASP Chi-restraints excluded: chain B residue 1857 GLU Chi-restraints excluded: chain B residue 1861 GLN Chi-restraints excluded: chain B residue 1863 LEU Chi-restraints excluded: chain B residue 1870 VAL Chi-restraints excluded: chain B residue 1928 GLN Chi-restraints excluded: chain B residue 1934 SER Chi-restraints excluded: chain B residue 1935 VAL Chi-restraints excluded: chain B residue 1939 MET Chi-restraints excluded: chain B residue 1942 LEU Chi-restraints excluded: chain B residue 1947 CYS Chi-restraints excluded: chain B residue 1951 LEU Chi-restraints excluded: chain B residue 1958 LEU Chi-restraints excluded: chain B residue 1963 GLU Chi-restraints excluded: chain B residue 1964 ARG Chi-restraints excluded: chain B residue 1966 VAL Chi-restraints excluded: chain B residue 1968 LYS Chi-restraints excluded: chain B residue 1976 ARG Chi-restraints excluded: chain B residue 1996 ARG Chi-restraints excluded: chain B residue 1997 GLU Chi-restraints excluded: chain B residue 2030 ASP Chi-restraints excluded: chain B residue 2031 LEU Chi-restraints excluded: chain B residue 2034 PHE Chi-restraints excluded: chain B residue 2035 HIS Chi-restraints excluded: chain B residue 2039 LEU Chi-restraints excluded: chain B residue 2095 GLN Chi-restraints excluded: chain B residue 2098 VAL Chi-restraints excluded: chain B residue 2101 MET Chi-restraints excluded: chain B residue 2103 VAL Chi-restraints excluded: chain B residue 2104 ARG Chi-restraints excluded: chain B residue 2115 GLU Chi-restraints excluded: chain B residue 2117 VAL Chi-restraints excluded: chain B residue 2118 ARG Chi-restraints excluded: chain B residue 2120 MET Chi-restraints excluded: chain B residue 2122 SER Chi-restraints excluded: chain B residue 2125 HIS Chi-restraints excluded: chain B residue 2128 TYR Chi-restraints excluded: chain B residue 2138 LEU Chi-restraints excluded: chain B residue 2143 THR Chi-restraints excluded: chain B residue 2145 SER Chi-restraints excluded: chain B residue 2148 SER Chi-restraints excluded: chain B residue 2150 GLU Chi-restraints excluded: chain B residue 2155 LEU Chi-restraints excluded: chain B residue 2164 SER Chi-restraints excluded: chain B residue 2166 LEU Chi-restraints excluded: chain B residue 2169 GLN Chi-restraints excluded: chain B residue 2184 ASN Chi-restraints excluded: chain B residue 2185 ILE Chi-restraints excluded: chain B residue 2187 ASN Chi-restraints excluded: chain B residue 2189 LYS Chi-restraints excluded: chain B residue 2197 LEU Chi-restraints excluded: chain B residue 2198 MET Chi-restraints excluded: chain B residue 2203 MET Chi-restraints excluded: chain B residue 2204 HIS Chi-restraints excluded: chain B residue 2207 VAL Chi-restraints excluded: chain B residue 2225 PHE Chi-restraints excluded: chain B residue 2228 MET Chi-restraints excluded: chain B residue 2229 VAL Chi-restraints excluded: chain B residue 2231 SER Chi-restraints excluded: chain B residue 2232 CYS Chi-restraints excluded: chain B residue 2237 CYS Chi-restraints excluded: chain B residue 2246 ASN Chi-restraints excluded: chain B residue 2248 ARG Chi-restraints excluded: chain B residue 2254 LEU Chi-restraints excluded: chain B residue 2256 TYR Chi-restraints excluded: chain B residue 2258 LEU Chi-restraints excluded: chain B residue 2260 ASN Chi-restraints excluded: chain B residue 2275 VAL Chi-restraints excluded: chain B residue 2279 SER Chi-restraints excluded: chain B residue 2280 VAL Chi-restraints excluded: chain B residue 2292 GLU Chi-restraints excluded: chain B residue 2298 VAL Chi-restraints excluded: chain B residue 2330 ARG Chi-restraints excluded: chain B residue 2334 PHE Chi-restraints excluded: chain B residue 2339 VAL Chi-restraints excluded: chain B residue 2346 VAL Chi-restraints excluded: chain B residue 2348 GLU Chi-restraints excluded: chain B residue 2349 ASN Chi-restraints excluded: chain B residue 2353 VAL Chi-restraints excluded: chain B residue 2354 VAL Chi-restraints excluded: chain B residue 2356 LEU Chi-restraints excluded: chain B residue 2357 LEU Chi-restraints excluded: chain B residue 2368 LEU Chi-restraints excluded: chain B residue 2376 LEU Chi-restraints excluded: chain B residue 2377 LEU Chi-restraints excluded: chain B residue 2380 ILE Chi-restraints excluded: chain B residue 2418 LEU Chi-restraints excluded: chain B residue 2432 LEU Chi-restraints excluded: chain B residue 2433 LEU Chi-restraints excluded: chain B residue 2449 GLU Chi-restraints excluded: chain B residue 2451 LEU Chi-restraints excluded: chain B residue 2454 ARG Chi-restraints excluded: chain B residue 2457 LEU Chi-restraints excluded: chain B residue 2460 LEU Chi-restraints excluded: chain B residue 2463 LEU Chi-restraints excluded: chain B residue 2466 LEU Chi-restraints excluded: chain B residue 2472 LEU Chi-restraints excluded: chain B residue 2747 ILE Chi-restraints excluded: chain B residue 2752 ASP Chi-restraints excluded: chain B residue 2766 TRP Chi-restraints excluded: chain B residue 2792 ARG Chi-restraints excluded: chain B residue 2796 THR Chi-restraints excluded: chain B residue 2799 GLU Chi-restraints excluded: chain B residue 2809 ILE Chi-restraints excluded: chain B residue 2821 TRP Chi-restraints excluded: chain B residue 2827 ARG Chi-restraints excluded: chain B residue 2855 TYR Chi-restraints excluded: chain B residue 2856 ASN Chi-restraints excluded: chain B residue 2862 LEU Chi-restraints excluded: chain B residue 2867 LEU Chi-restraints excluded: chain B residue 2868 SER Chi-restraints excluded: chain B residue 2881 ASN Chi-restraints excluded: chain B residue 2888 ARG Chi-restraints excluded: chain B residue 2905 LEU Chi-restraints excluded: chain B residue 2906 VAL Chi-restraints excluded: chain B residue 2910 THR Chi-restraints excluded: chain B residue 2911 LEU Chi-restraints excluded: chain B residue 2929 PHE Chi-restraints excluded: chain B residue 2935 TYR Chi-restraints excluded: chain B residue 2938 THR Chi-restraints excluded: chain B residue 3639 THR Chi-restraints excluded: chain B residue 3644 LEU Chi-restraints excluded: chain B residue 3646 THR Chi-restraints excluded: chain B residue 3651 ASN Chi-restraints excluded: chain B residue 3652 MET Chi-restraints excluded: chain B residue 3657 TYR Chi-restraints excluded: chain B residue 3661 TRP Chi-restraints excluded: chain B residue 3663 LEU Chi-restraints excluded: chain B residue 3665 GLU Chi-restraints excluded: chain B residue 3666 ASP Chi-restraints excluded: chain B residue 3676 ASP Chi-restraints excluded: chain B residue 3679 LYS Chi-restraints excluded: chain B residue 3698 LEU Chi-restraints excluded: chain B residue 3702 VAL Chi-restraints excluded: chain B residue 3708 THR Chi-restraints excluded: chain B residue 3711 THR Chi-restraints excluded: chain B residue 3714 SER Chi-restraints excluded: chain B residue 3717 ASP Chi-restraints excluded: chain B residue 3718 GLU Chi-restraints excluded: chain B residue 3720 TYR Chi-restraints excluded: chain B residue 3725 TYR Chi-restraints excluded: chain B residue 3727 ASP Chi-restraints excluded: chain B residue 3763 LEU Chi-restraints excluded: chain B residue 3773 ARG Chi-restraints excluded: chain B residue 3780 LEU Chi-restraints excluded: chain B residue 3786 CYS Chi-restraints excluded: chain B residue 3787 LYS Chi-restraints excluded: chain B residue 3790 THR Chi-restraints excluded: chain B residue 3796 SER Chi-restraints excluded: chain B residue 3797 THR Chi-restraints excluded: chain B residue 3798 LEU Chi-restraints excluded: chain B residue 3802 ILE Chi-restraints excluded: chain B residue 3811 GLU Chi-restraints excluded: chain B residue 3812 VAL Chi-restraints excluded: chain B residue 3816 MET Chi-restraints excluded: chain B residue 3822 ASP Chi-restraints excluded: chain B residue 3828 PHE Chi-restraints excluded: chain B residue 3836 MET Chi-restraints excluded: chain B residue 3838 THR Chi-restraints excluded: chain B residue 3843 ASP Chi-restraints excluded: chain B residue 3844 LEU Chi-restraints excluded: chain B residue 3847 PHE Chi-restraints excluded: chain B residue 3881 THR Chi-restraints excluded: chain B residue 3882 GLN Chi-restraints excluded: chain B residue 3883 ASP Chi-restraints excluded: chain B residue 3884 LEU Chi-restraints excluded: chain B residue 3890 LEU Chi-restraints excluded: chain B residue 3891 LEU Chi-restraints excluded: chain B residue 3895 HIS Chi-restraints excluded: chain B residue 3900 GLN Chi-restraints excluded: chain B residue 3902 TYR Chi-restraints excluded: chain B residue 3907 THR Chi-restraints excluded: chain B residue 3909 ASN Chi-restraints excluded: chain B residue 3913 ILE Chi-restraints excluded: chain B residue 3915 ILE Chi-restraints excluded: chain B residue 3916 ILE Chi-restraints excluded: chain B residue 3917 ILE Chi-restraints excluded: chain B residue 3920 VAL Chi-restraints excluded: chain B residue 3924 LEU Chi-restraints excluded: chain B residue 3927 GLN Chi-restraints excluded: chain B residue 3928 GLU Chi-restraints excluded: chain B residue 3929 SER Chi-restraints excluded: chain B residue 3931 SER Chi-restraints excluded: chain B residue 3932 ASP Chi-restraints excluded: chain B residue 3944 GLU Chi-restraints excluded: chain B residue 3946 GLN Chi-restraints excluded: chain B residue 3948 LYS Chi-restraints excluded: chain B residue 3953 LYS Chi-restraints excluded: chain B residue 3957 VAL Chi-restraints excluded: chain B residue 3959 LYS Chi-restraints excluded: chain B residue 3963 ASN Chi-restraints excluded: chain B residue 3964 SER Chi-restraints excluded: chain B residue 3974 THR Chi-restraints excluded: chain B residue 3979 SER Chi-restraints excluded: chain B residue 3982 HIS Chi-restraints excluded: chain B residue 3986 TRP Chi-restraints excluded: chain B residue 3987 ASP Chi-restraints excluded: chain B residue 3990 VAL Chi-restraints excluded: chain B residue 3993 LEU Chi-restraints excluded: chain B residue 3996 PHE Chi-restraints excluded: chain B residue 4011 GLU Chi-restraints excluded: chain B residue 4013 LEU Chi-restraints excluded: chain B residue 4021 LYS Chi-restraints excluded: chain B residue 4022 ASP Chi-restraints excluded: chain B residue 4023 MET Chi-restraints excluded: chain B residue 4025 VAL Chi-restraints excluded: chain B residue 4040 ILE Chi-restraints excluded: chain B residue 4044 MET Chi-restraints excluded: chain B residue 4045 VAL Chi-restraints excluded: chain B residue 4046 ASP Chi-restraints excluded: chain B residue 4049 VAL Chi-restraints excluded: chain B residue 4055 VAL Chi-restraints excluded: chain B residue 4058 ILE Chi-restraints excluded: chain B residue 4059 LEU Chi-restraints excluded: chain B residue 4063 ASP Chi-restraints excluded: chain B residue 4066 LEU Chi-restraints excluded: chain B residue 4071 ILE Chi-restraints excluded: chain B residue 4090 LYS Chi-restraints excluded: chain B residue 4095 LYS Chi-restraints excluded: chain B residue 4099 SER Chi-restraints excluded: chain B residue 4102 GLN Chi-restraints excluded: chain B residue 4109 GLN Chi-restraints excluded: chain B residue 4121 GLU Chi-restraints excluded: chain B residue 4128 PHE Chi-restraints excluded: chain B residue 4134 GLU Chi-restraints excluded: chain B residue 4139 ILE Chi-restraints excluded: chain B residue 4142 ASN Chi-restraints excluded: chain B residue 4143 VAL Chi-restraints excluded: chain B residue 4145 VAL Chi-restraints excluded: chain B residue 4150 LEU Chi-restraints excluded: chain B residue 4151 SER Chi-restraints excluded: chain B residue 4157 ASP Chi-restraints excluded: chain B residue 4159 ARG Chi-restraints excluded: chain B residue 4160 LEU Chi-restraints excluded: chain B residue 4162 ASN Chi-restraints excluded: chain B residue 4164 LEU Chi-restraints excluded: chain B residue 4166 LEU Chi-restraints excluded: chain B residue 4178 LEU Chi-restraints excluded: chain B residue 4181 ILE Chi-restraints excluded: chain B residue 4190 ILE Chi-restraints excluded: chain B residue 4195 PHE Chi-restraints excluded: chain B residue 4200 THR Chi-restraints excluded: chain B residue 4202 ARG Chi-restraints excluded: chain B residue 4205 TRP Chi-restraints excluded: chain B residue 4212 GLU Chi-restraints excluded: chain B residue 4237 PHE Chi-restraints excluded: chain B residue 4238 CYS Chi-restraints excluded: chain B residue 4247 ILE Chi-restraints excluded: chain B residue 4250 GLN Chi-restraints excluded: chain B residue 4251 ILE Chi-restraints excluded: chain B residue 4252 SER Chi-restraints excluded: chain B residue 4546 VAL Chi-restraints excluded: chain B residue 4547 GLN Chi-restraints excluded: chain B residue 4548 ARG Chi-restraints excluded: chain B residue 4549 VAL Chi-restraints excluded: chain B residue 4558 ASN Chi-restraints excluded: chain B residue 4559 PHE Chi-restraints excluded: chain B residue 4563 ARG Chi-restraints excluded: chain B residue 4565 LEU Chi-restraints excluded: chain B residue 4571 PHE Chi-restraints excluded: chain B residue 4573 ILE Chi-restraints excluded: chain B residue 4575 PHE Chi-restraints excluded: chain B residue 4576 ILE Chi-restraints excluded: chain B residue 4577 LEU Chi-restraints excluded: chain B residue 4582 VAL Chi-restraints excluded: chain B residue 4630 TYR Chi-restraints excluded: chain B residue 4631 PHE Chi-restraints excluded: chain B residue 4632 LEU Chi-restraints excluded: chain B residue 4633 GLU Chi-restraints excluded: chain B residue 4635 SER Chi-restraints excluded: chain B residue 4638 TYR Chi-restraints excluded: chain B residue 4646 LEU Chi-restraints excluded: chain B residue 4648 LEU Chi-restraints excluded: chain B residue 4649 LEU Chi-restraints excluded: chain B residue 4651 THR Chi-restraints excluded: chain B residue 4652 LEU Chi-restraints excluded: chain B residue 4653 VAL Chi-restraints excluded: chain B residue 4656 LEU Chi-restraints excluded: chain B residue 4657 CYS Chi-restraints excluded: chain B residue 4663 CYS Chi-restraints excluded: chain B residue 4666 VAL Chi-restraints excluded: chain B residue 4668 LEU Chi-restraints excluded: chain B residue 4671 PHE Chi-restraints excluded: chain B residue 4674 GLU Chi-restraints excluded: chain B residue 4676 GLU Chi-restraints excluded: chain B residue 4677 LEU Chi-restraints excluded: chain B residue 4682 GLU Chi-restraints excluded: chain B residue 4684 ASP Chi-restraints excluded: chain B residue 4686 LEU Chi-restraints excluded: chain B residue 4688 ILE Chi-restraints excluded: chain B residue 4701 TRP Chi-restraints excluded: chain B residue 4710 SER Chi-restraints excluded: chain B residue 4723 LYS Chi-restraints excluded: chain B residue 4727 LYS Chi-restraints excluded: chain B residue 4731 ILE Chi-restraints excluded: chain B residue 4736 ARG Chi-restraints excluded: chain B residue 4739 GLU Chi-restraints excluded: chain B residue 4747 SER Chi-restraints excluded: chain B residue 4770 SER Chi-restraints excluded: chain B residue 4771 ILE Chi-restraints excluded: chain B residue 4774 LYS Chi-restraints excluded: chain B residue 4777 ILE Chi-restraints excluded: chain B residue 4780 PHE Chi-restraints excluded: chain B residue 4783 ILE Chi-restraints excluded: chain B residue 4786 ASP Chi-restraints excluded: chain B residue 4790 LEU Chi-restraints excluded: chain B residue 4794 TRP Chi-restraints excluded: chain B residue 4796 MET Chi-restraints excluded: chain B residue 4797 VAL Chi-restraints excluded: chain B residue 4800 LEU Chi-restraints excluded: chain B residue 4807 PHE Chi-restraints excluded: chain B residue 4814 LEU Chi-restraints excluded: chain B residue 4818 MET Chi-restraints excluded: chain B residue 4822 THR Chi-restraints excluded: chain B residue 4827 LEU Chi-restraints excluded: chain B residue 4830 VAL Chi-restraints excluded: chain B residue 4836 GLN Chi-restraints excluded: chain B residue 4838 VAL Chi-restraints excluded: chain B residue 4849 TYR Chi-restraints excluded: chain B residue 4852 THR Chi-restraints excluded: chain B residue 4854 VAL Chi-restraints excluded: chain B residue 4864 ASN Chi-restraints excluded: chain B residue 4867 GLU Chi-restraints excluded: chain B residue 4877 ASP Chi-restraints excluded: chain B residue 4886 HIS Chi-restraints excluded: chain B residue 4901 ILE Chi-restraints excluded: chain B residue 4904 PRO Chi-restraints excluded: chain B residue 4913 ARG Chi-restraints excluded: chain B residue 4915 VAL Chi-restraints excluded: chain B residue 4918 ILE Chi-restraints excluded: chain B residue 4919 THR Chi-restraints excluded: chain B residue 4920 PHE Chi-restraints excluded: chain B residue 4921 PHE Chi-restraints excluded: chain B residue 4922 PHE Chi-restraints excluded: chain B residue 4931 ILE Chi-restraints excluded: chain B residue 4936 ILE Chi-restraints excluded: chain B residue 4945 ASP Chi-restraints excluded: chain B residue 4950 VAL Chi-restraints excluded: chain B residue 4960 ILE Chi-restraints excluded: chain B residue 4963 ILE Chi-restraints excluded: chain B residue 4977 THR Chi-restraints excluded: chain B residue 4983 HIS Chi-restraints excluded: chain B residue 4985 LEU Chi-restraints excluded: chain B residue 4990 PHE Chi-restraints excluded: chain B residue 4994 TYR Chi-restraints excluded: chain B residue 4996 ILE Chi-restraints excluded: chain B residue 5008 SER Chi-restraints excluded: chain B residue 5010 VAL Chi-restraints excluded: chain B residue 5013 MET Chi-restraints excluded: chain B residue 5014 TYR Chi-restraints excluded: chain B residue 5016 GLU Chi-restraints excluded: chain B residue 5020 ASP Chi-restraints excluded: chain B residue 5027 CYS Chi-restraints excluded: chain C residue 14 LEU Chi-restraints excluded: chain C residue 15 ARG Chi-restraints excluded: chain C residue 16 THR Chi-restraints excluded: chain C residue 17 ASP Chi-restraints excluded: chain C residue 18 ASP Chi-restraints excluded: chain C residue 19 GLU Chi-restraints excluded: chain C residue 29 LEU Chi-restraints excluded: chain C residue 35 LEU Chi-restraints excluded: chain C residue 40 GLU Chi-restraints excluded: chain C residue 44 ASN Chi-restraints excluded: chain C residue 49 LEU Chi-restraints excluded: chain C residue 52 THR Chi-restraints excluded: chain C residue 57 ASN Chi-restraints excluded: chain C residue 66 CYS Chi-restraints excluded: chain C residue 67 PHE Chi-restraints excluded: chain C residue 69 LEU Chi-restraints excluded: chain C residue 70 GLU Chi-restraints excluded: chain C residue 72 SER Chi-restraints excluded: chain C residue 73 LEU Chi-restraints excluded: chain C residue 74 SER Chi-restraints excluded: chain C residue 75 VAL Chi-restraints excluded: chain C residue 76 ARG Chi-restraints excluded: chain C residue 78 LEU Chi-restraints excluded: chain C residue 81 MET Chi-restraints excluded: chain C residue 100 THR Chi-restraints excluded: chain C residue 109 LEU Chi-restraints excluded: chain C residue 111 HIS Chi-restraints excluded: chain C residue 113 HIS Chi-restraints excluded: chain C residue 121 LEU Chi-restraints excluded: chain C residue 122 THR Chi-restraints excluded: chain C residue 123 THR Chi-restraints excluded: chain C residue 124 SER Chi-restraints excluded: chain C residue 133 PHE Chi-restraints excluded: chain C residue 134 ASP Chi-restraints excluded: chain C residue 135 VAL Chi-restraints excluded: chain C residue 142 THR Chi-restraints excluded: chain C residue 144 GLU Chi-restraints excluded: chain C residue 149 THR Chi-restraints excluded: chain C residue 152 PRO Chi-restraints excluded: chain C residue 156 GLN Chi-restraints excluded: chain C residue 163 VAL Chi-restraints excluded: chain C residue 165 VAL Chi-restraints excluded: chain C residue 169 LEU Chi-restraints excluded: chain C residue 173 SER Chi-restraints excluded: chain C residue 175 SER Chi-restraints excluded: chain C residue 179 TYR Chi-restraints excluded: chain C residue 181 HIS Chi-restraints excluded: chain C residue 183 SER Chi-restraints excluded: chain C residue 189 LEU Chi-restraints excluded: chain C residue 191 VAL Chi-restraints excluded: chain C residue 205 ILE Chi-restraints excluded: chain C residue 206 CYS Chi-restraints excluded: chain C residue 208 CYS Chi-restraints excluded: chain C residue 210 GLU Chi-restraints excluded: chain C residue 211 GLU Chi-restraints excluded: chain C residue 222 LEU Chi-restraints excluded: chain C residue 238 SER Chi-restraints excluded: chain C residue 244 LEU Chi-restraints excluded: chain C residue 246 TYR Chi-restraints excluded: chain C residue 247 TYR Chi-restraints excluded: chain C residue 257 ARG Chi-restraints excluded: chain C residue 262 LEU Chi-restraints excluded: chain C residue 270 SER Chi-restraints excluded: chain C residue 275 ARG Chi-restraints excluded: chain C residue 282 ILE Chi-restraints excluded: chain C residue 283 ARG Chi-restraints excluded: chain C residue 286 THR Chi-restraints excluded: chain C residue 293 LEU Chi-restraints excluded: chain C residue 299 LEU Chi-restraints excluded: chain C residue 312 THR Chi-restraints excluded: chain C residue 313 SER Chi-restraints excluded: chain C residue 315 CYS Chi-restraints excluded: chain C residue 319 SER Chi-restraints excluded: chain C residue 343 GLU Chi-restraints excluded: chain C residue 345 LEU Chi-restraints excluded: chain C residue 357 LEU Chi-restraints excluded: chain C residue 359 TYR Chi-restraints excluded: chain C residue 372 LEU Chi-restraints excluded: chain C residue 373 LYS Chi-restraints excluded: chain C residue 390 LEU Chi-restraints excluded: chain C residue 394 GLN Chi-restraints excluded: chain C residue 396 GLU Chi-restraints excluded: chain C residue 397 GLU Chi-restraints excluded: chain C residue 398 SER Chi-restraints excluded: chain C residue 403 MET Chi-restraints excluded: chain C residue 404 ILE Chi-restraints excluded: chain C residue 410 LEU Chi-restraints excluded: chain C residue 411 TYR Chi-restraints excluded: chain C residue 415 ILE Chi-restraints excluded: chain C residue 420 SER Chi-restraints excluded: chain C residue 438 ILE Chi-restraints excluded: chain C residue 439 GLU Chi-restraints excluded: chain C residue 452 PHE Chi-restraints excluded: chain C residue 455 PRO Chi-restraints excluded: chain C residue 459 LEU Chi-restraints excluded: chain C residue 469 ARG Chi-restraints excluded: chain C residue 475 GLN Chi-restraints excluded: chain C residue 483 MET Chi-restraints excluded: chain C residue 485 SER Chi-restraints excluded: chain C residue 486 LEU Chi-restraints excluded: chain C residue 487 VAL Chi-restraints excluded: chain C residue 488 LEU Chi-restraints excluded: chain C residue 491 ILE Chi-restraints excluded: chain C residue 497 TYR Chi-restraints excluded: chain C residue 506 TYR Chi-restraints excluded: chain C residue 510 GLU Chi-restraints excluded: chain C residue 513 GLU Chi-restraints excluded: chain C residue 514 SER Chi-restraints excluded: chain C residue 515 TRP Chi-restraints excluded: chain C residue 517 GLU Chi-restraints excluded: chain C residue 519 VAL Chi-restraints excluded: chain C residue 522 LEU Chi-restraints excluded: chain C residue 526 LEU Chi-restraints excluded: chain C residue 529 LEU Chi-restraints excluded: chain C residue 530 ILE Chi-restraints excluded: chain C residue 533 ASN Chi-restraints excluded: chain C residue 536 ASN Chi-restraints excluded: chain C residue 539 LEU Chi-restraints excluded: chain C residue 540 PHE Chi-restraints excluded: chain C residue 541 SER Chi-restraints excluded: chain C residue 547 VAL Chi-restraints excluded: chain C residue 561 LEU Chi-restraints excluded: chain C residue 563 VAL Chi-restraints excluded: chain C residue 564 LEU Chi-restraints excluded: chain C residue 569 ILE Chi-restraints excluded: chain C residue 571 SER Chi-restraints excluded: chain C residue 575 LEU Chi-restraints excluded: chain C residue 579 GLN Chi-restraints excluded: chain C residue 586 ILE Chi-restraints excluded: chain C residue 590 LEU Chi-restraints excluded: chain C residue 591 ASP Chi-restraints excluded: chain C residue 605 SER Chi-restraints excluded: chain C residue 609 CYS Chi-restraints excluded: chain C residue 614 VAL Chi-restraints excluded: chain C residue 620 LEU Chi-restraints excluded: chain C residue 621 ILE Chi-restraints excluded: chain C residue 622 THR Chi-restraints excluded: chain C residue 625 LEU Chi-restraints excluded: chain C residue 631 LEU Chi-restraints excluded: chain C residue 633 LEU Chi-restraints excluded: chain C residue 635 THR Chi-restraints excluded: chain C residue 638 ILE Chi-restraints excluded: chain C residue 642 THR Chi-restraints excluded: chain C residue 661 LYS Chi-restraints excluded: chain C residue 663 TYR Chi-restraints excluded: chain C residue 665 GLU Chi-restraints excluded: chain C residue 669 ASP Chi-restraints excluded: chain C residue 672 VAL Chi-restraints excluded: chain C residue 676 THR Chi-restraints excluded: chain C residue 680 THR Chi-restraints excluded: chain C residue 682 LEU Chi-restraints excluded: chain C residue 690 GLU Chi-restraints excluded: chain C residue 695 TYR Chi-restraints excluded: chain C residue 702 TRP Chi-restraints excluded: chain C residue 710 ASP Chi-restraints excluded: chain C residue 712 TYR Chi-restraints excluded: chain C residue 714 TYR Chi-restraints excluded: chain C residue 719 LEU Chi-restraints excluded: chain C residue 735 GLN Chi-restraints excluded: chain C residue 743 VAL Chi-restraints excluded: chain C residue 748 LEU Chi-restraints excluded: chain C residue 751 SER Chi-restraints excluded: chain C residue 752 VAL Chi-restraints excluded: chain C residue 754 SER Chi-restraints excluded: chain C residue 756 SER Chi-restraints excluded: chain C residue 771 PHE Chi-restraints excluded: chain C residue 783 PHE Chi-restraints excluded: chain C residue 797 HIS Chi-restraints excluded: chain C residue 801 LYS Chi-restraints excluded: chain C residue 802 PHE Chi-restraints excluded: chain C residue 815 VAL Chi-restraints excluded: chain C residue 822 ARG Chi-restraints excluded: chain C residue 829 TYR Chi-restraints excluded: chain C residue 839 LEU Chi-restraints excluded: chain C residue 840 VAL Chi-restraints excluded: chain C residue 862 VAL Chi-restraints excluded: chain C residue 869 ARG Chi-restraints excluded: chain C residue 896 VAL Chi-restraints excluded: chain C residue 900 ASN Chi-restraints excluded: chain C residue 922 LEU Chi-restraints excluded: chain C residue 923 GLN Chi-restraints excluded: chain C residue 925 SER Chi-restraints excluded: chain C residue 948 ASP Chi-restraints excluded: chain C residue 965 TYR Chi-restraints excluded: chain C residue 971 ASP Chi-restraints excluded: chain C residue 972 LEU Chi-restraints excluded: chain C residue 974 HIS Chi-restraints excluded: chain C residue 977 LEU Chi-restraints excluded: chain C residue 978 THR Chi-restraints excluded: chain C residue 1036 ARG Chi-restraints excluded: chain C residue 1045 THR Chi-restraints excluded: chain C residue 1072 VAL Chi-restraints excluded: chain C residue 1076 ARG Chi-restraints excluded: chain C residue 1078 GLU Chi-restraints excluded: chain C residue 1081 TYR Chi-restraints excluded: chain C residue 1087 ARG Chi-restraints excluded: chain C residue 1093 GLU Chi-restraints excluded: chain C residue 1101 ARG Chi-restraints excluded: chain C residue 1108 GLU Chi-restraints excluded: chain C residue 1120 LEU Chi-restraints excluded: chain C residue 1127 HIS Chi-restraints excluded: chain C residue 1132 TRP Chi-restraints excluded: chain C residue 1133 HIS Chi-restraints excluded: chain C residue 1139 PHE Chi-restraints excluded: chain C residue 1143 TRP Chi-restraints excluded: chain C residue 1153 ILE Chi-restraints excluded: chain C residue 1155 LEU Chi-restraints excluded: chain C residue 1158 ASN Chi-restraints excluded: chain C residue 1160 ILE Chi-restraints excluded: chain C residue 1163 THR Chi-restraints excluded: chain C residue 1169 LEU Chi-restraints excluded: chain C residue 1172 ASP Chi-restraints excluded: chain C residue 1184 ILE Chi-restraints excluded: chain C residue 1191 VAL Chi-restraints excluded: chain C residue 1201 HIS Chi-restraints excluded: chain C residue 1203 ASN Chi-restraints excluded: chain C residue 1209 SER Chi-restraints excluded: chain C residue 1219 LEU Chi-restraints excluded: chain C residue 1226 PHE Chi-restraints excluded: chain C residue 1235 THR Chi-restraints excluded: chain C residue 1240 LYS Chi-restraints excluded: chain C residue 1242 LEU Chi-restraints excluded: chain C residue 1244 GLN Chi-restraints excluded: chain C residue 1248 VAL Chi-restraints excluded: chain C residue 1251 GLU Chi-restraints excluded: chain C residue 1254 HIS Chi-restraints excluded: chain C residue 1266 THR Chi-restraints excluded: chain C residue 1272 LEU Chi-restraints excluded: chain C residue 1575 LEU Chi-restraints excluded: chain C residue 1590 GLN Chi-restraints excluded: chain C residue 1595 LEU Chi-restraints excluded: chain C residue 1597 VAL Chi-restraints excluded: chain C residue 1600 LEU Chi-restraints excluded: chain C residue 1601 MET Chi-restraints excluded: chain C residue 1605 TRP Chi-restraints excluded: chain C residue 1613 LEU Chi-restraints excluded: chain C residue 1630 CYS Chi-restraints excluded: chain C residue 1636 MET Chi-restraints excluded: chain C residue 1639 LEU Chi-restraints excluded: chain C residue 1641 ILE Chi-restraints excluded: chain C residue 1648 MET Chi-restraints excluded: chain C residue 1649 ASP Chi-restraints excluded: chain C residue 1652 GLU Chi-restraints excluded: chain C residue 1654 SER Chi-restraints excluded: chain C residue 1657 LEU Chi-restraints excluded: chain C residue 1658 ASP Chi-restraints excluded: chain C residue 1661 ARG Chi-restraints excluded: chain C residue 1663 HIS Chi-restraints excluded: chain C residue 1666 THR Chi-restraints excluded: chain C residue 1673 VAL Chi-restraints excluded: chain C residue 1679 ASN Chi-restraints excluded: chain C residue 1680 ARG Chi-restraints excluded: chain C residue 1686 CYS Chi-restraints excluded: chain C residue 1694 LEU Chi-restraints excluded: chain C residue 1695 LEU Chi-restraints excluded: chain C residue 1699 GLU Chi-restraints excluded: chain C residue 1700 ASP Chi-restraints excluded: chain C residue 1703 LEU Chi-restraints excluded: chain C residue 1707 LEU Chi-restraints excluded: chain C residue 1713 ASP Chi-restraints excluded: chain C residue 1720 LEU Chi-restraints excluded: chain C residue 1721 GLU Chi-restraints excluded: chain C residue 1731 LEU Chi-restraints excluded: chain C residue 1738 LEU Chi-restraints excluded: chain C residue 1739 THR Chi-restraints excluded: chain C residue 1743 ARG Chi-restraints excluded: chain C residue 1768 THR Chi-restraints excluded: chain C residue 1770 SER Chi-restraints excluded: chain C residue 1772 ARG Chi-restraints excluded: chain C residue 1778 SER Chi-restraints excluded: chain C residue 1782 PHE Chi-restraints excluded: chain C residue 1797 ARG Chi-restraints excluded: chain C residue 1798 LEU Chi-restraints excluded: chain C residue 1813 ARG Chi-restraints excluded: chain C residue 1819 VAL Chi-restraints excluded: chain C residue 1844 LEU Chi-restraints excluded: chain C residue 1848 LEU Chi-restraints excluded: chain C residue 1850 VAL Chi-restraints excluded: chain C residue 1853 ILE Chi-restraints excluded: chain C residue 1856 ASP Chi-restraints excluded: chain C residue 1857 GLU Chi-restraints excluded: chain C residue 1861 GLN Chi-restraints excluded: chain C residue 1863 LEU Chi-restraints excluded: chain C residue 1870 VAL Chi-restraints excluded: chain C residue 1928 GLN Chi-restraints excluded: chain C residue 1934 SER Chi-restraints excluded: chain C residue 1935 VAL Chi-restraints excluded: chain C residue 1939 MET Chi-restraints excluded: chain C residue 1942 LEU Chi-restraints excluded: chain C residue 1947 CYS Chi-restraints excluded: chain C residue 1951 LEU Chi-restraints excluded: chain C residue 1958 LEU Chi-restraints excluded: chain C residue 1963 GLU Chi-restraints excluded: chain C residue 1964 ARG Chi-restraints excluded: chain C residue 1966 VAL Chi-restraints excluded: chain C residue 1968 LYS Chi-restraints excluded: chain C residue 1976 ARG Chi-restraints excluded: chain C residue 1996 ARG Chi-restraints excluded: chain C residue 1997 GLU Chi-restraints excluded: chain C residue 2011 HIS Chi-restraints excluded: chain C residue 2030 ASP Chi-restraints excluded: chain C residue 2031 LEU Chi-restraints excluded: chain C residue 2034 PHE Chi-restraints excluded: chain C residue 2035 HIS Chi-restraints excluded: chain C residue 2039 LEU Chi-restraints excluded: chain C residue 2095 GLN Chi-restraints excluded: chain C residue 2098 VAL Chi-restraints excluded: chain C residue 2101 MET Chi-restraints excluded: chain C residue 2103 VAL Chi-restraints excluded: chain C residue 2104 ARG Chi-restraints excluded: chain C residue 2115 GLU Chi-restraints excluded: chain C residue 2117 VAL Chi-restraints excluded: chain C residue 2118 ARG Chi-restraints excluded: chain C residue 2120 MET Chi-restraints excluded: chain C residue 2122 SER Chi-restraints excluded: chain C residue 2125 HIS Chi-restraints excluded: chain C residue 2128 TYR Chi-restraints excluded: chain C residue 2138 LEU Chi-restraints excluded: chain C residue 2143 THR Chi-restraints excluded: chain C residue 2145 SER Chi-restraints excluded: chain C residue 2148 SER Chi-restraints excluded: chain C residue 2150 GLU Chi-restraints excluded: chain C residue 2155 LEU Chi-restraints excluded: chain C residue 2164 SER Chi-restraints excluded: chain C residue 2166 LEU Chi-restraints excluded: chain C residue 2169 GLN Chi-restraints excluded: chain C residue 2184 ASN Chi-restraints excluded: chain C residue 2185 ILE Chi-restraints excluded: chain C residue 2187 ASN Chi-restraints excluded: chain C residue 2189 LYS Chi-restraints excluded: chain C residue 2197 LEU Chi-restraints excluded: chain C residue 2198 MET Chi-restraints excluded: chain C residue 2203 MET Chi-restraints excluded: chain C residue 2204 HIS Chi-restraints excluded: chain C residue 2207 VAL Chi-restraints excluded: chain C residue 2225 PHE Chi-restraints excluded: chain C residue 2228 MET Chi-restraints excluded: chain C residue 2229 VAL Chi-restraints excluded: chain C residue 2231 SER Chi-restraints excluded: chain C residue 2232 CYS Chi-restraints excluded: chain C residue 2237 CYS Chi-restraints excluded: chain C residue 2245 GLN Chi-restraints excluded: chain C residue 2246 ASN Chi-restraints excluded: chain C residue 2248 ARG Chi-restraints excluded: chain C residue 2254 LEU Chi-restraints excluded: chain C residue 2256 TYR Chi-restraints excluded: chain C residue 2258 LEU Chi-restraints excluded: chain C residue 2260 ASN Chi-restraints excluded: chain C residue 2274 ASP Chi-restraints excluded: chain C residue 2275 VAL Chi-restraints excluded: chain C residue 2279 SER Chi-restraints excluded: chain C residue 2280 VAL Chi-restraints excluded: chain C residue 2292 GLU Chi-restraints excluded: chain C residue 2298 VAL Chi-restraints excluded: chain C residue 2330 ARG Chi-restraints excluded: chain C residue 2334 PHE Chi-restraints excluded: chain C residue 2339 VAL Chi-restraints excluded: chain C residue 2346 VAL Chi-restraints excluded: chain C residue 2348 GLU Chi-restraints excluded: chain C residue 2349 ASN Chi-restraints excluded: chain C residue 2353 VAL Chi-restraints excluded: chain C residue 2354 VAL Chi-restraints excluded: chain C residue 2356 LEU Chi-restraints excluded: chain C residue 2357 LEU Chi-restraints excluded: chain C residue 2368 LEU Chi-restraints excluded: chain C residue 2376 LEU Chi-restraints excluded: chain C residue 2377 LEU Chi-restraints excluded: chain C residue 2380 ILE Chi-restraints excluded: chain C residue 2418 LEU Chi-restraints excluded: chain C residue 2432 LEU Chi-restraints excluded: chain C residue 2433 LEU Chi-restraints excluded: chain C residue 2449 GLU Chi-restraints excluded: chain C residue 2451 LEU Chi-restraints excluded: chain C residue 2454 ARG Chi-restraints excluded: chain C residue 2457 LEU Chi-restraints excluded: chain C residue 2460 LEU Chi-restraints excluded: chain C residue 2463 LEU Chi-restraints excluded: chain C residue 2466 LEU Chi-restraints excluded: chain C residue 2472 LEU Chi-restraints excluded: chain C residue 2752 ASP Chi-restraints excluded: chain C residue 2766 TRP Chi-restraints excluded: chain C residue 2792 ARG Chi-restraints excluded: chain C residue 2796 THR Chi-restraints excluded: chain C residue 2799 GLU Chi-restraints excluded: chain C residue 2821 TRP Chi-restraints excluded: chain C residue 2827 ARG Chi-restraints excluded: chain C residue 2855 TYR Chi-restraints excluded: chain C residue 2856 ASN Chi-restraints excluded: chain C residue 2867 LEU Chi-restraints excluded: chain C residue 2868 SER Chi-restraints excluded: chain C residue 2881 ASN Chi-restraints excluded: chain C residue 2888 ARG Chi-restraints excluded: chain C residue 2889 LYS Chi-restraints excluded: chain C residue 2905 LEU Chi-restraints excluded: chain C residue 2906 VAL Chi-restraints excluded: chain C residue 2910 THR Chi-restraints excluded: chain C residue 2911 LEU Chi-restraints excluded: chain C residue 2929 PHE Chi-restraints excluded: chain C residue 2935 TYR Chi-restraints excluded: chain C residue 2938 THR Chi-restraints excluded: chain C residue 3639 THR Chi-restraints excluded: chain C residue 3644 LEU Chi-restraints excluded: chain C residue 3646 THR Chi-restraints excluded: chain C residue 3651 ASN Chi-restraints excluded: chain C residue 3652 MET Chi-restraints excluded: chain C residue 3657 TYR Chi-restraints excluded: chain C residue 3661 TRP Chi-restraints excluded: chain C residue 3663 LEU Chi-restraints excluded: chain C residue 3665 GLU Chi-restraints excluded: chain C residue 3666 ASP Chi-restraints excluded: chain C residue 3676 ASP Chi-restraints excluded: chain C residue 3679 LYS Chi-restraints excluded: chain C residue 3697 PRO Chi-restraints excluded: chain C residue 3698 LEU Chi-restraints excluded: chain C residue 3702 VAL Chi-restraints excluded: chain C residue 3708 THR Chi-restraints excluded: chain C residue 3711 THR Chi-restraints excluded: chain C residue 3714 SER Chi-restraints excluded: chain C residue 3720 TYR Chi-restraints excluded: chain C residue 3725 TYR Chi-restraints excluded: chain C residue 3727 ASP Chi-restraints excluded: chain C residue 3753 PHE Chi-restraints excluded: chain C residue 3759 GLU Chi-restraints excluded: chain C residue 3763 LEU Chi-restraints excluded: chain C residue 3773 ARG Chi-restraints excluded: chain C residue 3780 LEU Chi-restraints excluded: chain C residue 3786 CYS Chi-restraints excluded: chain C residue 3787 LYS Chi-restraints excluded: chain C residue 3790 THR Chi-restraints excluded: chain C residue 3796 SER Chi-restraints excluded: chain C residue 3797 THR Chi-restraints excluded: chain C residue 3798 LEU Chi-restraints excluded: chain C residue 3802 ILE Chi-restraints excluded: chain C residue 3811 GLU Chi-restraints excluded: chain C residue 3816 MET Chi-restraints excluded: chain C residue 3822 ASP Chi-restraints excluded: chain C residue 3828 PHE Chi-restraints excluded: chain C residue 3836 MET Chi-restraints excluded: chain C residue 3838 THR Chi-restraints excluded: chain C residue 3842 LEU Chi-restraints excluded: chain C residue 3843 ASP Chi-restraints excluded: chain C residue 3844 LEU Chi-restraints excluded: chain C residue 3847 PHE Chi-restraints excluded: chain C residue 3881 THR Chi-restraints excluded: chain C residue 3882 GLN Chi-restraints excluded: chain C residue 3883 ASP Chi-restraints excluded: chain C residue 3884 LEU Chi-restraints excluded: chain C residue 3891 LEU Chi-restraints excluded: chain C residue 3895 HIS Chi-restraints excluded: chain C residue 3900 GLN Chi-restraints excluded: chain C residue 3902 TYR Chi-restraints excluded: chain C residue 3907 THR Chi-restraints excluded: chain C residue 3909 ASN Chi-restraints excluded: chain C residue 3913 ILE Chi-restraints excluded: chain C residue 3915 ILE Chi-restraints excluded: chain C residue 3916 ILE Chi-restraints excluded: chain C residue 3917 ILE Chi-restraints excluded: chain C residue 3920 VAL Chi-restraints excluded: chain C residue 3924 LEU Chi-restraints excluded: chain C residue 3927 GLN Chi-restraints excluded: chain C residue 3928 GLU Chi-restraints excluded: chain C residue 3929 SER Chi-restraints excluded: chain C residue 3931 SER Chi-restraints excluded: chain C residue 3932 ASP Chi-restraints excluded: chain C residue 3944 GLU Chi-restraints excluded: chain C residue 3946 GLN Chi-restraints excluded: chain C residue 3948 LYS Chi-restraints excluded: chain C residue 3953 LYS Chi-restraints excluded: chain C residue 3955 MET Chi-restraints excluded: chain C residue 3957 VAL Chi-restraints excluded: chain C residue 3959 LYS Chi-restraints excluded: chain C residue 3963 ASN Chi-restraints excluded: chain C residue 3964 SER Chi-restraints excluded: chain C residue 3974 THR Chi-restraints excluded: chain C residue 3979 SER Chi-restraints excluded: chain C residue 3982 HIS Chi-restraints excluded: chain C residue 3986 TRP Chi-restraints excluded: chain C residue 3987 ASP Chi-restraints excluded: chain C residue 3990 VAL Chi-restraints excluded: chain C residue 3993 LEU Chi-restraints excluded: chain C residue 3996 PHE Chi-restraints excluded: chain C residue 4011 GLU Chi-restraints excluded: chain C residue 4013 LEU Chi-restraints excluded: chain C residue 4022 ASP Chi-restraints excluded: chain C residue 4023 MET Chi-restraints excluded: chain C residue 4025 VAL Chi-restraints excluded: chain C residue 4035 VAL Chi-restraints excluded: chain C residue 4040 ILE Chi-restraints excluded: chain C residue 4044 MET Chi-restraints excluded: chain C residue 4045 VAL Chi-restraints excluded: chain C residue 4046 ASP Chi-restraints excluded: chain C residue 4049 VAL Chi-restraints excluded: chain C residue 4055 VAL Chi-restraints excluded: chain C residue 4058 ILE Chi-restraints excluded: chain C residue 4059 LEU Chi-restraints excluded: chain C residue 4063 ASP Chi-restraints excluded: chain C residue 4066 LEU Chi-restraints excluded: chain C residue 4071 ILE Chi-restraints excluded: chain C residue 4090 LYS Chi-restraints excluded: chain C residue 4095 LYS Chi-restraints excluded: chain C residue 4099 SER Chi-restraints excluded: chain C residue 4102 GLN Chi-restraints excluded: chain C residue 4109 GLN Chi-restraints excluded: chain C residue 4121 GLU Chi-restraints excluded: chain C residue 4128 PHE Chi-restraints excluded: chain C residue 4134 GLU Chi-restraints excluded: chain C residue 4139 ILE Chi-restraints excluded: chain C residue 4142 ASN Chi-restraints excluded: chain C residue 4143 VAL Chi-restraints excluded: chain C residue 4145 VAL Chi-restraints excluded: chain C residue 4150 LEU Chi-restraints excluded: chain C residue 4151 SER Chi-restraints excluded: chain C residue 4157 ASP Chi-restraints excluded: chain C residue 4159 ARG Chi-restraints excluded: chain C residue 4160 LEU Chi-restraints excluded: chain C residue 4162 ASN Chi-restraints excluded: chain C residue 4164 LEU Chi-restraints excluded: chain C residue 4166 LEU Chi-restraints excluded: chain C residue 4171 LEU Chi-restraints excluded: chain C residue 4178 LEU Chi-restraints excluded: chain C residue 4180 ARG Chi-restraints excluded: chain C residue 4181 ILE Chi-restraints excluded: chain C residue 4190 ILE Chi-restraints excluded: chain C residue 4191 GLU Chi-restraints excluded: chain C residue 4192 ARG Chi-restraints excluded: chain C residue 4195 PHE Chi-restraints excluded: chain C residue 4200 THR Chi-restraints excluded: chain C residue 4202 ARG Chi-restraints excluded: chain C residue 4205 TRP Chi-restraints excluded: chain C residue 4212 GLU Chi-restraints excluded: chain C residue 4237 PHE Chi-restraints excluded: chain C residue 4238 CYS Chi-restraints excluded: chain C residue 4247 ILE Chi-restraints excluded: chain C residue 4250 GLN Chi-restraints excluded: chain C residue 4251 ILE Chi-restraints excluded: chain C residue 4252 SER Chi-restraints excluded: chain C residue 4546 VAL Chi-restraints excluded: chain C residue 4547 GLN Chi-restraints excluded: chain C residue 4549 VAL Chi-restraints excluded: chain C residue 4558 ASN Chi-restraints excluded: chain C residue 4559 PHE Chi-restraints excluded: chain C residue 4563 ARG Chi-restraints excluded: chain C residue 4565 LEU Chi-restraints excluded: chain C residue 4571 PHE Chi-restraints excluded: chain C residue 4573 ILE Chi-restraints excluded: chain C residue 4575 PHE Chi-restraints excluded: chain C residue 4576 ILE Chi-restraints excluded: chain C residue 4577 LEU Chi-restraints excluded: chain C residue 4578 LEU Chi-restraints excluded: chain C residue 4582 VAL Chi-restraints excluded: chain C residue 4630 TYR Chi-restraints excluded: chain C residue 4631 PHE Chi-restraints excluded: chain C residue 4632 LEU Chi-restraints excluded: chain C residue 4633 GLU Chi-restraints excluded: chain C residue 4635 SER Chi-restraints excluded: chain C residue 4638 TYR Chi-restraints excluded: chain C residue 4646 LEU Chi-restraints excluded: chain C residue 4648 LEU Chi-restraints excluded: chain C residue 4649 LEU Chi-restraints excluded: chain C residue 4651 THR Chi-restraints excluded: chain C residue 4652 LEU Chi-restraints excluded: chain C residue 4653 VAL Chi-restraints excluded: chain C residue 4656 LEU Chi-restraints excluded: chain C residue 4657 CYS Chi-restraints excluded: chain C residue 4663 CYS Chi-restraints excluded: chain C residue 4666 VAL Chi-restraints excluded: chain C residue 4668 LEU Chi-restraints excluded: chain C residue 4671 PHE Chi-restraints excluded: chain C residue 4674 GLU Chi-restraints excluded: chain C residue 4676 GLU Chi-restraints excluded: chain C residue 4677 LEU Chi-restraints excluded: chain C residue 4682 GLU Chi-restraints excluded: chain C residue 4684 ASP Chi-restraints excluded: chain C residue 4686 LEU Chi-restraints excluded: chain C residue 4688 ILE Chi-restraints excluded: chain C residue 4701 TRP Chi-restraints excluded: chain C residue 4710 SER Chi-restraints excluded: chain C residue 4714 ASN Chi-restraints excluded: chain C residue 4723 LYS Chi-restraints excluded: chain C residue 4727 LYS Chi-restraints excluded: chain C residue 4731 ILE Chi-restraints excluded: chain C residue 4739 GLU Chi-restraints excluded: chain C residue 4743 MET Chi-restraints excluded: chain C residue 4747 SER Chi-restraints excluded: chain C residue 4770 SER Chi-restraints excluded: chain C residue 4771 ILE Chi-restraints excluded: chain C residue 4774 LYS Chi-restraints excluded: chain C residue 4780 PHE Chi-restraints excluded: chain C residue 4783 ILE Chi-restraints excluded: chain C residue 4786 ASP Chi-restraints excluded: chain C residue 4790 LEU Chi-restraints excluded: chain C residue 4794 TRP Chi-restraints excluded: chain C residue 4797 VAL Chi-restraints excluded: chain C residue 4800 LEU Chi-restraints excluded: chain C residue 4807 PHE Chi-restraints excluded: chain C residue 4808 PHE Chi-restraints excluded: chain C residue 4814 LEU Chi-restraints excluded: chain C residue 4818 MET Chi-restraints excluded: chain C residue 4822 THR Chi-restraints excluded: chain C residue 4827 LEU Chi-restraints excluded: chain C residue 4830 VAL Chi-restraints excluded: chain C residue 4836 GLN Chi-restraints excluded: chain C residue 4838 VAL Chi-restraints excluded: chain C residue 4849 TYR Chi-restraints excluded: chain C residue 4852 THR Chi-restraints excluded: chain C residue 4854 VAL Chi-restraints excluded: chain C residue 4864 ASN Chi-restraints excluded: chain C residue 4867 GLU Chi-restraints excluded: chain C residue 4874 MET Chi-restraints excluded: chain C residue 4877 ASP Chi-restraints excluded: chain C residue 4886 HIS Chi-restraints excluded: chain C residue 4901 ILE Chi-restraints excluded: chain C residue 4904 PRO Chi-restraints excluded: chain C residue 4912 TYR Chi-restraints excluded: chain C residue 4913 ARG Chi-restraints excluded: chain C residue 4915 VAL Chi-restraints excluded: chain C residue 4918 ILE Chi-restraints excluded: chain C residue 4919 THR Chi-restraints excluded: chain C residue 4920 PHE Chi-restraints excluded: chain C residue 4921 PHE Chi-restraints excluded: chain C residue 4936 ILE Chi-restraints excluded: chain C residue 4945 ASP Chi-restraints excluded: chain C residue 4950 VAL Chi-restraints excluded: chain C residue 4960 ILE Chi-restraints excluded: chain C residue 4963 ILE Chi-restraints excluded: chain C residue 4966 ASP Chi-restraints excluded: chain C residue 4977 THR Chi-restraints excluded: chain C residue 4983 HIS Chi-restraints excluded: chain C residue 4985 LEU Chi-restraints excluded: chain C residue 4990 PHE Chi-restraints excluded: chain C residue 4991 PHE Chi-restraints excluded: chain C residue 4994 TYR Chi-restraints excluded: chain C residue 4998 LYS Chi-restraints excluded: chain C residue 5004 THR Chi-restraints excluded: chain C residue 5010 VAL Chi-restraints excluded: chain C residue 5014 TYR Chi-restraints excluded: chain C residue 5016 GLU Chi-restraints excluded: chain C residue 5020 ASP Chi-restraints excluded: chain C residue 5027 CYS Chi-restraints excluded: chain C residue 5030 LYS Chi-restraints excluded: chain D residue 12 GLN Chi-restraints excluded: chain D residue 14 LEU Chi-restraints excluded: chain D residue 15 ARG Chi-restraints excluded: chain D residue 16 THR Chi-restraints excluded: chain D residue 17 ASP Chi-restraints excluded: chain D residue 18 ASP Chi-restraints excluded: chain D residue 19 GLU Chi-restraints excluded: chain D residue 29 LEU Chi-restraints excluded: chain D residue 35 LEU Chi-restraints excluded: chain D residue 40 GLU Chi-restraints excluded: chain D residue 44 ASN Chi-restraints excluded: chain D residue 49 LEU Chi-restraints excluded: chain D residue 52 THR Chi-restraints excluded: chain D residue 57 ASN Chi-restraints excluded: chain D residue 66 CYS Chi-restraints excluded: chain D residue 67 PHE Chi-restraints excluded: chain D residue 69 LEU Chi-restraints excluded: chain D residue 70 GLU Chi-restraints excluded: chain D residue 72 SER Chi-restraints excluded: chain D residue 73 LEU Chi-restraints excluded: chain D residue 74 SER Chi-restraints excluded: chain D residue 75 VAL Chi-restraints excluded: chain D residue 76 ARG Chi-restraints excluded: chain D residue 78 LEU Chi-restraints excluded: chain D residue 81 MET Chi-restraints excluded: chain D residue 100 THR Chi-restraints excluded: chain D residue 109 LEU Chi-restraints excluded: chain D residue 111 HIS Chi-restraints excluded: chain D residue 113 HIS Chi-restraints excluded: chain D residue 121 LEU Chi-restraints excluded: chain D residue 122 THR Chi-restraints excluded: chain D residue 123 THR Chi-restraints excluded: chain D residue 124 SER Chi-restraints excluded: chain D residue 133 PHE Chi-restraints excluded: chain D residue 134 ASP Chi-restraints excluded: chain D residue 135 VAL Chi-restraints excluded: chain D residue 142 THR Chi-restraints excluded: chain D residue 144 GLU Chi-restraints excluded: chain D residue 149 THR Chi-restraints excluded: chain D residue 152 PRO Chi-restraints excluded: chain D residue 156 GLN Chi-restraints excluded: chain D residue 163 VAL Chi-restraints excluded: chain D residue 165 VAL Chi-restraints excluded: chain D residue 167 ASP Chi-restraints excluded: chain D residue 169 LEU Chi-restraints excluded: chain D residue 173 SER Chi-restraints excluded: chain D residue 175 SER Chi-restraints excluded: chain D residue 179 TYR Chi-restraints excluded: chain D residue 181 HIS Chi-restraints excluded: chain D residue 183 SER Chi-restraints excluded: chain D residue 189 LEU Chi-restraints excluded: chain D residue 191 VAL Chi-restraints excluded: chain D residue 205 ILE Chi-restraints excluded: chain D residue 206 CYS Chi-restraints excluded: chain D residue 208 CYS Chi-restraints excluded: chain D residue 210 GLU Chi-restraints excluded: chain D residue 211 GLU Chi-restraints excluded: chain D residue 222 LEU Chi-restraints excluded: chain D residue 238 SER Chi-restraints excluded: chain D residue 244 LEU Chi-restraints excluded: chain D residue 246 TYR Chi-restraints excluded: chain D residue 247 TYR Chi-restraints excluded: chain D residue 257 ARG Chi-restraints excluded: chain D residue 262 LEU Chi-restraints excluded: chain D residue 270 SER Chi-restraints excluded: chain D residue 275 ARG Chi-restraints excluded: chain D residue 283 ARG Chi-restraints excluded: chain D residue 286 THR Chi-restraints excluded: chain D residue 293 LEU Chi-restraints excluded: chain D residue 299 LEU Chi-restraints excluded: chain D residue 312 THR Chi-restraints excluded: chain D residue 313 SER Chi-restraints excluded: chain D residue 315 CYS Chi-restraints excluded: chain D residue 319 SER Chi-restraints excluded: chain D residue 343 GLU Chi-restraints excluded: chain D residue 357 LEU Chi-restraints excluded: chain D residue 358 THR Chi-restraints excluded: chain D residue 359 TYR Chi-restraints excluded: chain D residue 372 LEU Chi-restraints excluded: chain D residue 373 LYS Chi-restraints excluded: chain D residue 390 LEU Chi-restraints excluded: chain D residue 394 GLN Chi-restraints excluded: chain D residue 396 GLU Chi-restraints excluded: chain D residue 397 GLU Chi-restraints excluded: chain D residue 398 SER Chi-restraints excluded: chain D residue 403 MET Chi-restraints excluded: chain D residue 404 ILE Chi-restraints excluded: chain D residue 410 LEU Chi-restraints excluded: chain D residue 411 TYR Chi-restraints excluded: chain D residue 415 ILE Chi-restraints excluded: chain D residue 420 SER Chi-restraints excluded: chain D residue 438 ILE Chi-restraints excluded: chain D residue 439 GLU Chi-restraints excluded: chain D residue 442 ILE Chi-restraints excluded: chain D residue 452 PHE Chi-restraints excluded: chain D residue 453 GLU Chi-restraints excluded: chain D residue 460 GLN Chi-restraints excluded: chain D residue 462 GLU Chi-restraints excluded: chain D residue 463 GLU Chi-restraints excluded: chain D residue 469 ARG Chi-restraints excluded: chain D residue 475 GLN Chi-restraints excluded: chain D residue 483 MET Chi-restraints excluded: chain D residue 485 SER Chi-restraints excluded: chain D residue 486 LEU Chi-restraints excluded: chain D residue 487 VAL Chi-restraints excluded: chain D residue 488 LEU Chi-restraints excluded: chain D residue 491 ILE Chi-restraints excluded: chain D residue 497 TYR Chi-restraints excluded: chain D residue 506 TYR Chi-restraints excluded: chain D residue 510 GLU Chi-restraints excluded: chain D residue 513 GLU Chi-restraints excluded: chain D residue 514 SER Chi-restraints excluded: chain D residue 515 TRP Chi-restraints excluded: chain D residue 517 GLU Chi-restraints excluded: chain D residue 519 VAL Chi-restraints excluded: chain D residue 522 LEU Chi-restraints excluded: chain D residue 526 LEU Chi-restraints excluded: chain D residue 529 LEU Chi-restraints excluded: chain D residue 530 ILE Chi-restraints excluded: chain D residue 533 ASN Chi-restraints excluded: chain D residue 536 ASN Chi-restraints excluded: chain D residue 539 LEU Chi-restraints excluded: chain D residue 540 PHE Chi-restraints excluded: chain D residue 541 SER Chi-restraints excluded: chain D residue 547 VAL Chi-restraints excluded: chain D residue 561 LEU Chi-restraints excluded: chain D residue 563 VAL Chi-restraints excluded: chain D residue 564 LEU Chi-restraints excluded: chain D residue 569 ILE Chi-restraints excluded: chain D residue 571 SER Chi-restraints excluded: chain D residue 575 LEU Chi-restraints excluded: chain D residue 579 GLN Chi-restraints excluded: chain D residue 586 ILE Chi-restraints excluded: chain D residue 590 LEU Chi-restraints excluded: chain D residue 591 ASP Chi-restraints excluded: chain D residue 605 SER Chi-restraints excluded: chain D residue 609 CYS Chi-restraints excluded: chain D residue 614 VAL Chi-restraints excluded: chain D residue 620 LEU Chi-restraints excluded: chain D residue 621 ILE Chi-restraints excluded: chain D residue 622 THR Chi-restraints excluded: chain D residue 625 LEU Chi-restraints excluded: chain D residue 631 LEU Chi-restraints excluded: chain D residue 633 LEU Chi-restraints excluded: chain D residue 635 THR Chi-restraints excluded: chain D residue 638 ILE Chi-restraints excluded: chain D residue 642 THR Chi-restraints excluded: chain D residue 661 LYS Chi-restraints excluded: chain D residue 663 TYR Chi-restraints excluded: chain D residue 665 GLU Chi-restraints excluded: chain D residue 669 ASP Chi-restraints excluded: chain D residue 672 VAL Chi-restraints excluded: chain D residue 676 THR Chi-restraints excluded: chain D residue 680 THR Chi-restraints excluded: chain D residue 681 HIS Chi-restraints excluded: chain D residue 682 LEU Chi-restraints excluded: chain D residue 690 GLU Chi-restraints excluded: chain D residue 695 TYR Chi-restraints excluded: chain D residue 702 TRP Chi-restraints excluded: chain D residue 710 ASP Chi-restraints excluded: chain D residue 712 TYR Chi-restraints excluded: chain D residue 714 TYR Chi-restraints excluded: chain D residue 735 GLN Chi-restraints excluded: chain D residue 743 VAL Chi-restraints excluded: chain D residue 748 LEU Chi-restraints excluded: chain D residue 751 SER Chi-restraints excluded: chain D residue 752 VAL Chi-restraints excluded: chain D residue 754 SER Chi-restraints excluded: chain D residue 756 SER Chi-restraints excluded: chain D residue 771 PHE Chi-restraints excluded: chain D residue 783 PHE Chi-restraints excluded: chain D residue 797 HIS Chi-restraints excluded: chain D residue 801 LYS Chi-restraints excluded: chain D residue 815 VAL Chi-restraints excluded: chain D residue 822 ARG Chi-restraints excluded: chain D residue 839 LEU Chi-restraints excluded: chain D residue 840 VAL Chi-restraints excluded: chain D residue 869 ARG Chi-restraints excluded: chain D residue 896 VAL Chi-restraints excluded: chain D residue 900 ASN Chi-restraints excluded: chain D residue 922 LEU Chi-restraints excluded: chain D residue 923 GLN Chi-restraints excluded: chain D residue 925 SER Chi-restraints excluded: chain D residue 948 ASP Chi-restraints excluded: chain D residue 965 TYR Chi-restraints excluded: chain D residue 971 ASP Chi-restraints excluded: chain D residue 972 LEU Chi-restraints excluded: chain D residue 974 HIS Chi-restraints excluded: chain D residue 977 LEU Chi-restraints excluded: chain D residue 978 THR Chi-restraints excluded: chain D residue 1036 ARG Chi-restraints excluded: chain D residue 1045 THR Chi-restraints excluded: chain D residue 1054 GLU Chi-restraints excluded: chain D residue 1072 VAL Chi-restraints excluded: chain D residue 1076 ARG Chi-restraints excluded: chain D residue 1078 GLU Chi-restraints excluded: chain D residue 1081 TYR Chi-restraints excluded: chain D residue 1087 ARG Chi-restraints excluded: chain D residue 1093 GLU Chi-restraints excluded: chain D residue 1101 ARG Chi-restraints excluded: chain D residue 1108 GLU Chi-restraints excluded: chain D residue 1120 LEU Chi-restraints excluded: chain D residue 1127 HIS Chi-restraints excluded: chain D residue 1132 TRP Chi-restraints excluded: chain D residue 1133 HIS Chi-restraints excluded: chain D residue 1139 PHE Chi-restraints excluded: chain D residue 1143 TRP Chi-restraints excluded: chain D residue 1155 LEU Chi-restraints excluded: chain D residue 1158 ASN Chi-restraints excluded: chain D residue 1160 ILE Chi-restraints excluded: chain D residue 1163 THR Chi-restraints excluded: chain D residue 1169 LEU Chi-restraints excluded: chain D residue 1172 ASP Chi-restraints excluded: chain D residue 1184 ILE Chi-restraints excluded: chain D residue 1191 VAL Chi-restraints excluded: chain D residue 1201 HIS Chi-restraints excluded: chain D residue 1203 ASN Chi-restraints excluded: chain D residue 1204 LEU Chi-restraints excluded: chain D residue 1209 SER Chi-restraints excluded: chain D residue 1219 LEU Chi-restraints excluded: chain D residue 1226 PHE Chi-restraints excluded: chain D residue 1235 THR Chi-restraints excluded: chain D residue 1240 LYS Chi-restraints excluded: chain D residue 1242 LEU Chi-restraints excluded: chain D residue 1244 GLN Chi-restraints excluded: chain D residue 1248 VAL Chi-restraints excluded: chain D residue 1251 GLU Chi-restraints excluded: chain D residue 1254 HIS Chi-restraints excluded: chain D residue 1266 THR Chi-restraints excluded: chain D residue 1272 LEU Chi-restraints excluded: chain D residue 1575 LEU Chi-restraints excluded: chain D residue 1590 GLN Chi-restraints excluded: chain D residue 1597 VAL Chi-restraints excluded: chain D residue 1600 LEU Chi-restraints excluded: chain D residue 1601 MET Chi-restraints excluded: chain D residue 1605 TRP Chi-restraints excluded: chain D residue 1613 LEU Chi-restraints excluded: chain D residue 1630 CYS Chi-restraints excluded: chain D residue 1636 MET Chi-restraints excluded: chain D residue 1639 LEU Chi-restraints excluded: chain D residue 1641 ILE Chi-restraints excluded: chain D residue 1648 MET Chi-restraints excluded: chain D residue 1649 ASP Chi-restraints excluded: chain D residue 1652 GLU Chi-restraints excluded: chain D residue 1654 SER Chi-restraints excluded: chain D residue 1657 LEU Chi-restraints excluded: chain D residue 1658 ASP Chi-restraints excluded: chain D residue 1661 ARG Chi-restraints excluded: chain D residue 1663 HIS Chi-restraints excluded: chain D residue 1666 THR Chi-restraints excluded: chain D residue 1673 VAL Chi-restraints excluded: chain D residue 1679 ASN Chi-restraints excluded: chain D residue 1686 CYS Chi-restraints excluded: chain D residue 1694 LEU Chi-restraints excluded: chain D residue 1699 GLU Chi-restraints excluded: chain D residue 1700 ASP Chi-restraints excluded: chain D residue 1703 LEU Chi-restraints excluded: chain D residue 1707 LEU Chi-restraints excluded: chain D residue 1713 ASP Chi-restraints excluded: chain D residue 1720 LEU Chi-restraints excluded: chain D residue 1721 GLU Chi-restraints excluded: chain D residue 1731 LEU Chi-restraints excluded: chain D residue 1738 LEU Chi-restraints excluded: chain D residue 1739 THR Chi-restraints excluded: chain D residue 1743 ARG Chi-restraints excluded: chain D residue 1768 THR Chi-restraints excluded: chain D residue 1770 SER Chi-restraints excluded: chain D residue 1772 ARG Chi-restraints excluded: chain D residue 1778 SER Chi-restraints excluded: chain D residue 1798 LEU Chi-restraints excluded: chain D residue 1810 LYS Chi-restraints excluded: chain D residue 1813 ARG Chi-restraints excluded: chain D residue 1819 VAL Chi-restraints excluded: chain D residue 1844 LEU Chi-restraints excluded: chain D residue 1848 LEU Chi-restraints excluded: chain D residue 1850 VAL Chi-restraints excluded: chain D residue 1853 ILE Chi-restraints excluded: chain D residue 1856 ASP Chi-restraints excluded: chain D residue 1857 GLU Chi-restraints excluded: chain D residue 1861 GLN Chi-restraints excluded: chain D residue 1863 LEU Chi-restraints excluded: chain D residue 1870 VAL Chi-restraints excluded: chain D residue 1928 GLN Chi-restraints excluded: chain D residue 1934 SER Chi-restraints excluded: chain D residue 1935 VAL Chi-restraints excluded: chain D residue 1939 MET Chi-restraints excluded: chain D residue 1942 LEU Chi-restraints excluded: chain D residue 1947 CYS Chi-restraints excluded: chain D residue 1951 LEU Chi-restraints excluded: chain D residue 1958 LEU Chi-restraints excluded: chain D residue 1963 GLU Chi-restraints excluded: chain D residue 1964 ARG Chi-restraints excluded: chain D residue 1966 VAL Chi-restraints excluded: chain D residue 1968 LYS Chi-restraints excluded: chain D residue 1976 ARG Chi-restraints excluded: chain D residue 1996 ARG Chi-restraints excluded: chain D residue 1997 GLU Chi-restraints excluded: chain D residue 2030 ASP Chi-restraints excluded: chain D residue 2031 LEU Chi-restraints excluded: chain D residue 2034 PHE Chi-restraints excluded: chain D residue 2035 HIS Chi-restraints excluded: chain D residue 2039 LEU Chi-restraints excluded: chain D residue 2095 GLN Chi-restraints excluded: chain D residue 2098 VAL Chi-restraints excluded: chain D residue 2101 MET Chi-restraints excluded: chain D residue 2103 VAL Chi-restraints excluded: chain D residue 2104 ARG Chi-restraints excluded: chain D residue 2115 GLU Chi-restraints excluded: chain D residue 2117 VAL Chi-restraints excluded: chain D residue 2118 ARG Chi-restraints excluded: chain D residue 2120 MET Chi-restraints excluded: chain D residue 2122 SER Chi-restraints excluded: chain D residue 2125 HIS Chi-restraints excluded: chain D residue 2128 TYR Chi-restraints excluded: chain D residue 2138 LEU Chi-restraints excluded: chain D residue 2143 THR Chi-restraints excluded: chain D residue 2145 SER Chi-restraints excluded: chain D residue 2148 SER Chi-restraints excluded: chain D residue 2150 GLU Chi-restraints excluded: chain D residue 2155 LEU Chi-restraints excluded: chain D residue 2164 SER Chi-restraints excluded: chain D residue 2166 LEU Chi-restraints excluded: chain D residue 2169 GLN Chi-restraints excluded: chain D residue 2184 ASN Chi-restraints excluded: chain D residue 2185 ILE Chi-restraints excluded: chain D residue 2187 ASN Chi-restraints excluded: chain D residue 2189 LYS Chi-restraints excluded: chain D residue 2197 LEU Chi-restraints excluded: chain D residue 2198 MET Chi-restraints excluded: chain D residue 2203 MET Chi-restraints excluded: chain D residue 2204 HIS Chi-restraints excluded: chain D residue 2207 VAL Chi-restraints excluded: chain D residue 2225 PHE Chi-restraints excluded: chain D residue 2228 MET Chi-restraints excluded: chain D residue 2229 VAL Chi-restraints excluded: chain D residue 2231 SER Chi-restraints excluded: chain D residue 2232 CYS Chi-restraints excluded: chain D residue 2237 CYS Chi-restraints excluded: chain D residue 2245 GLN Chi-restraints excluded: chain D residue 2246 ASN Chi-restraints excluded: chain D residue 2248 ARG Chi-restraints excluded: chain D residue 2254 LEU Chi-restraints excluded: chain D residue 2256 TYR Chi-restraints excluded: chain D residue 2258 LEU Chi-restraints excluded: chain D residue 2260 ASN Chi-restraints excluded: chain D residue 2265 LEU Chi-restraints excluded: chain D residue 2275 VAL Chi-restraints excluded: chain D residue 2279 SER Chi-restraints excluded: chain D residue 2280 VAL Chi-restraints excluded: chain D residue 2292 GLU Chi-restraints excluded: chain D residue 2298 VAL Chi-restraints excluded: chain D residue 2330 ARG Chi-restraints excluded: chain D residue 2334 PHE Chi-restraints excluded: chain D residue 2339 VAL Chi-restraints excluded: chain D residue 2340 PHE Chi-restraints excluded: chain D residue 2346 VAL Chi-restraints excluded: chain D residue 2347 GLU Chi-restraints excluded: chain D residue 2348 GLU Chi-restraints excluded: chain D residue 2349 ASN Chi-restraints excluded: chain D residue 2353 VAL Chi-restraints excluded: chain D residue 2354 VAL Chi-restraints excluded: chain D residue 2356 LEU Chi-restraints excluded: chain D residue 2357 LEU Chi-restraints excluded: chain D residue 2368 LEU Chi-restraints excluded: chain D residue 2376 LEU Chi-restraints excluded: chain D residue 2377 LEU Chi-restraints excluded: chain D residue 2380 ILE Chi-restraints excluded: chain D residue 2418 LEU Chi-restraints excluded: chain D residue 2432 LEU Chi-restraints excluded: chain D residue 2449 GLU Chi-restraints excluded: chain D residue 2451 LEU Chi-restraints excluded: chain D residue 2454 ARG Chi-restraints excluded: chain D residue 2457 LEU Chi-restraints excluded: chain D residue 2460 LEU Chi-restraints excluded: chain D residue 2463 LEU Chi-restraints excluded: chain D residue 2472 LEU Chi-restraints excluded: chain D residue 2741 GLU Chi-restraints excluded: chain D residue 2747 ILE Chi-restraints excluded: chain D residue 2752 ASP Chi-restraints excluded: chain D residue 2766 TRP Chi-restraints excluded: chain D residue 2773 ASN Chi-restraints excluded: chain D residue 2792 ARG Chi-restraints excluded: chain D residue 2796 THR Chi-restraints excluded: chain D residue 2799 GLU Chi-restraints excluded: chain D residue 2821 TRP Chi-restraints excluded: chain D residue 2827 ARG Chi-restraints excluded: chain D residue 2855 TYR Chi-restraints excluded: chain D residue 2856 ASN Chi-restraints excluded: chain D residue 2862 LEU Chi-restraints excluded: chain D residue 2867 LEU Chi-restraints excluded: chain D residue 2868 SER Chi-restraints excluded: chain D residue 2881 ASN Chi-restraints excluded: chain D residue 2888 ARG Chi-restraints excluded: chain D residue 2889 LYS Chi-restraints excluded: chain D residue 2902 HIS Chi-restraints excluded: chain D residue 2905 LEU Chi-restraints excluded: chain D residue 2906 VAL Chi-restraints excluded: chain D residue 2910 THR Chi-restraints excluded: chain D residue 2911 LEU Chi-restraints excluded: chain D residue 2929 PHE Chi-restraints excluded: chain D residue 2935 TYR Chi-restraints excluded: chain D residue 2938 THR Chi-restraints excluded: chain D residue 3644 LEU Chi-restraints excluded: chain D residue 3646 THR Chi-restraints excluded: chain D residue 3651 ASN Chi-restraints excluded: chain D residue 3657 TYR Chi-restraints excluded: chain D residue 3661 TRP Chi-restraints excluded: chain D residue 3663 LEU Chi-restraints excluded: chain D residue 3665 GLU Chi-restraints excluded: chain D residue 3666 ASP Chi-restraints excluded: chain D residue 3676 ASP Chi-restraints excluded: chain D residue 3679 LYS Chi-restraints excluded: chain D residue 3698 LEU Chi-restraints excluded: chain D residue 3702 VAL Chi-restraints excluded: chain D residue 3708 THR Chi-restraints excluded: chain D residue 3711 THR Chi-restraints excluded: chain D residue 3714 SER Chi-restraints excluded: chain D residue 3717 ASP Chi-restraints excluded: chain D residue 3718 GLU Chi-restraints excluded: chain D residue 3720 TYR Chi-restraints excluded: chain D residue 3725 TYR Chi-restraints excluded: chain D residue 3727 ASP Chi-restraints excluded: chain D residue 3753 PHE Chi-restraints excluded: chain D residue 3759 GLU Chi-restraints excluded: chain D residue 3763 LEU Chi-restraints excluded: chain D residue 3773 ARG Chi-restraints excluded: chain D residue 3780 LEU Chi-restraints excluded: chain D residue 3786 CYS Chi-restraints excluded: chain D residue 3787 LYS Chi-restraints excluded: chain D residue 3790 THR Chi-restraints excluded: chain D residue 3796 SER Chi-restraints excluded: chain D residue 3797 THR Chi-restraints excluded: chain D residue 3798 LEU Chi-restraints excluded: chain D residue 3802 ILE Chi-restraints excluded: chain D residue 3811 GLU Chi-restraints excluded: chain D residue 3816 MET Chi-restraints excluded: chain D residue 3822 ASP Chi-restraints excluded: chain D residue 3828 PHE Chi-restraints excluded: chain D residue 3836 MET Chi-restraints excluded: chain D residue 3838 THR Chi-restraints excluded: chain D residue 3841 VAL Chi-restraints excluded: chain D residue 3843 ASP Chi-restraints excluded: chain D residue 3844 LEU Chi-restraints excluded: chain D residue 3847 PHE Chi-restraints excluded: chain D residue 3881 THR Chi-restraints excluded: chain D residue 3882 GLN Chi-restraints excluded: chain D residue 3883 ASP Chi-restraints excluded: chain D residue 3884 LEU Chi-restraints excluded: chain D residue 3890 LEU Chi-restraints excluded: chain D residue 3891 LEU Chi-restraints excluded: chain D residue 3895 HIS Chi-restraints excluded: chain D residue 3900 GLN Chi-restraints excluded: chain D residue 3902 TYR Chi-restraints excluded: chain D residue 3907 THR Chi-restraints excluded: chain D residue 3909 ASN Chi-restraints excluded: chain D residue 3913 ILE Chi-restraints excluded: chain D residue 3915 ILE Chi-restraints excluded: chain D residue 3916 ILE Chi-restraints excluded: chain D residue 3917 ILE Chi-restraints excluded: chain D residue 3920 VAL Chi-restraints excluded: chain D residue 3924 LEU Chi-restraints excluded: chain D residue 3927 GLN Chi-restraints excluded: chain D residue 3928 GLU Chi-restraints excluded: chain D residue 3929 SER Chi-restraints excluded: chain D residue 3931 SER Chi-restraints excluded: chain D residue 3932 ASP Chi-restraints excluded: chain D residue 3937 TYR Chi-restraints excluded: chain D residue 3944 GLU Chi-restraints excluded: chain D residue 3946 GLN Chi-restraints excluded: chain D residue 3948 LYS Chi-restraints excluded: chain D residue 3953 LYS Chi-restraints excluded: chain D residue 3957 VAL Chi-restraints excluded: chain D residue 3959 LYS Chi-restraints excluded: chain D residue 3961 VAL Chi-restraints excluded: chain D residue 3963 ASN Chi-restraints excluded: chain D residue 3964 SER Chi-restraints excluded: chain D residue 3974 THR Chi-restraints excluded: chain D residue 3979 SER Chi-restraints excluded: chain D residue 3980 LEU Chi-restraints excluded: chain D residue 3982 HIS Chi-restraints excluded: chain D residue 3985 LEU Chi-restraints excluded: chain D residue 3987 ASP Chi-restraints excluded: chain D residue 3990 VAL Chi-restraints excluded: chain D residue 3996 PHE Chi-restraints excluded: chain D residue 4011 GLU Chi-restraints excluded: chain D residue 4013 LEU Chi-restraints excluded: chain D residue 4022 ASP Chi-restraints excluded: chain D residue 4023 MET Chi-restraints excluded: chain D residue 4025 VAL Chi-restraints excluded: chain D residue 4044 MET Chi-restraints excluded: chain D residue 4045 VAL Chi-restraints excluded: chain D residue 4046 ASP Chi-restraints excluded: chain D residue 4049 VAL Chi-restraints excluded: chain D residue 4055 VAL Chi-restraints excluded: chain D residue 4058 ILE Chi-restraints excluded: chain D residue 4059 LEU Chi-restraints excluded: chain D residue 4063 ASP Chi-restraints excluded: chain D residue 4066 LEU Chi-restraints excluded: chain D residue 4070 ASP Chi-restraints excluded: chain D residue 4071 ILE Chi-restraints excluded: chain D residue 4090 LYS Chi-restraints excluded: chain D residue 4095 LYS Chi-restraints excluded: chain D residue 4099 SER Chi-restraints excluded: chain D residue 4102 GLN Chi-restraints excluded: chain D residue 4109 GLN Chi-restraints excluded: chain D residue 4121 GLU Chi-restraints excluded: chain D residue 4128 PHE Chi-restraints excluded: chain D residue 4134 GLU Chi-restraints excluded: chain D residue 4139 ILE Chi-restraints excluded: chain D residue 4142 ASN Chi-restraints excluded: chain D residue 4143 VAL Chi-restraints excluded: chain D residue 4145 VAL Chi-restraints excluded: chain D residue 4150 LEU Chi-restraints excluded: chain D residue 4151 SER Chi-restraints excluded: chain D residue 4157 ASP Chi-restraints excluded: chain D residue 4159 ARG Chi-restraints excluded: chain D residue 4160 LEU Chi-restraints excluded: chain D residue 4162 ASN Chi-restraints excluded: chain D residue 4164 LEU Chi-restraints excluded: chain D residue 4166 LEU Chi-restraints excluded: chain D residue 4178 LEU Chi-restraints excluded: chain D residue 4180 ARG Chi-restraints excluded: chain D residue 4181 ILE Chi-restraints excluded: chain D residue 4190 ILE Chi-restraints excluded: chain D residue 4191 GLU Chi-restraints excluded: chain D residue 4192 ARG Chi-restraints excluded: chain D residue 4195 PHE Chi-restraints excluded: chain D residue 4200 THR Chi-restraints excluded: chain D residue 4202 ARG Chi-restraints excluded: chain D residue 4205 TRP Chi-restraints excluded: chain D residue 4212 GLU Chi-restraints excluded: chain D residue 4237 PHE Chi-restraints excluded: chain D residue 4238 CYS Chi-restraints excluded: chain D residue 4244 GLU Chi-restraints excluded: chain D residue 4250 GLN Chi-restraints excluded: chain D residue 4251 ILE Chi-restraints excluded: chain D residue 4252 SER Chi-restraints excluded: chain D residue 4546 VAL Chi-restraints excluded: chain D residue 4547 GLN Chi-restraints excluded: chain D residue 4549 VAL Chi-restraints excluded: chain D residue 4558 ASN Chi-restraints excluded: chain D residue 4559 PHE Chi-restraints excluded: chain D residue 4565 LEU Chi-restraints excluded: chain D residue 4573 ILE Chi-restraints excluded: chain D residue 4582 VAL Chi-restraints excluded: chain D residue 4630 TYR Chi-restraints excluded: chain D residue 4631 PHE Chi-restraints excluded: chain D residue 4632 LEU Chi-restraints excluded: chain D residue 4633 GLU Chi-restraints excluded: chain D residue 4635 SER Chi-restraints excluded: chain D residue 4638 TYR Chi-restraints excluded: chain D residue 4646 LEU Chi-restraints excluded: chain D residue 4648 LEU Chi-restraints excluded: chain D residue 4649 LEU Chi-restraints excluded: chain D residue 4651 THR Chi-restraints excluded: chain D residue 4652 LEU Chi-restraints excluded: chain D residue 4653 VAL Chi-restraints excluded: chain D residue 4656 LEU Chi-restraints excluded: chain D residue 4657 CYS Chi-restraints excluded: chain D residue 4663 CYS Chi-restraints excluded: chain D residue 4666 VAL Chi-restraints excluded: chain D residue 4668 LEU Chi-restraints excluded: chain D residue 4671 PHE Chi-restraints excluded: chain D residue 4674 GLU Chi-restraints excluded: chain D residue 4676 GLU Chi-restraints excluded: chain D residue 4677 LEU Chi-restraints excluded: chain D residue 4682 GLU Chi-restraints excluded: chain D residue 4684 ASP Chi-restraints excluded: chain D residue 4688 ILE Chi-restraints excluded: chain D residue 4701 TRP Chi-restraints excluded: chain D residue 4710 SER Chi-restraints excluded: chain D residue 4723 LYS Chi-restraints excluded: chain D residue 4727 LYS Chi-restraints excluded: chain D residue 4731 ILE Chi-restraints excluded: chain D residue 4739 GLU Chi-restraints excluded: chain D residue 4743 MET Chi-restraints excluded: chain D residue 4747 SER Chi-restraints excluded: chain D residue 4770 SER Chi-restraints excluded: chain D residue 4771 ILE Chi-restraints excluded: chain D residue 4773 VAL Chi-restraints excluded: chain D residue 4774 LYS Chi-restraints excluded: chain D residue 4780 PHE Chi-restraints excluded: chain D residue 4783 ILE Chi-restraints excluded: chain D residue 4786 ASP Chi-restraints excluded: chain D residue 4794 TRP Chi-restraints excluded: chain D residue 4797 VAL Chi-restraints excluded: chain D residue 4800 LEU Chi-restraints excluded: chain D residue 4814 LEU Chi-restraints excluded: chain D residue 4816 ILE Chi-restraints excluded: chain D residue 4818 MET Chi-restraints excluded: chain D residue 4822 THR Chi-restraints excluded: chain D residue 4824 ARG Chi-restraints excluded: chain D residue 4827 LEU Chi-restraints excluded: chain D residue 4830 VAL Chi-restraints excluded: chain D residue 4836 GLN Chi-restraints excluded: chain D residue 4838 VAL Chi-restraints excluded: chain D residue 4844 LEU Chi-restraints excluded: chain D residue 4849 TYR Chi-restraints excluded: chain D residue 4852 THR Chi-restraints excluded: chain D residue 4854 VAL Chi-restraints excluded: chain D residue 4864 ASN Chi-restraints excluded: chain D residue 4867 GLU Chi-restraints excluded: chain D residue 4877 ASP Chi-restraints excluded: chain D residue 4886 HIS Chi-restraints excluded: chain D residue 4901 ILE Chi-restraints excluded: chain D residue 4904 PRO Chi-restraints excluded: chain D residue 4913 ARG Chi-restraints excluded: chain D residue 4915 VAL Chi-restraints excluded: chain D residue 4918 ILE Chi-restraints excluded: chain D residue 4919 THR Chi-restraints excluded: chain D residue 4920 PHE Chi-restraints excluded: chain D residue 4921 PHE Chi-restraints excluded: chain D residue 4922 PHE Chi-restraints excluded: chain D residue 4936 ILE Chi-restraints excluded: chain D residue 4945 ASP Chi-restraints excluded: chain D residue 4950 VAL Chi-restraints excluded: chain D residue 4954 MET Chi-restraints excluded: chain D residue 4959 PHE Chi-restraints excluded: chain D residue 4960 ILE Chi-restraints excluded: chain D residue 4963 ILE Chi-restraints excluded: chain D residue 4966 ASP Chi-restraints excluded: chain D residue 4980 LEU Chi-restraints excluded: chain D residue 4983 HIS Chi-restraints excluded: chain D residue 4985 LEU Chi-restraints excluded: chain D residue 4990 PHE Chi-restraints excluded: chain D residue 4994 TYR Chi-restraints excluded: chain D residue 4996 ILE Chi-restraints excluded: chain D residue 5008 SER Chi-restraints excluded: chain D residue 5010 VAL Chi-restraints excluded: chain D residue 5013 MET Chi-restraints excluded: chain D residue 5014 TYR Chi-restraints excluded: chain D residue 5016 GLU Chi-restraints excluded: chain D residue 5020 ASP Chi-restraints excluded: chain D residue 5027 CYS Chi-restraints excluded: chain D residue 5030 LYS Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 0 random chunks: chunk None optimal weight: 10.0000 overall best weight: 50.0000 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** A 57 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 218 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 308 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 350 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 379 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 460 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 461 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 479 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 582 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 610 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 618 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 705 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 725 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 735 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 772 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 949 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1158 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1165 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1683 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1837 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2161 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2184 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2253 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A2744 ASN ** A2877 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3643 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3976 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3977 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4034 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4100 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4102 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4650 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4973 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 23 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 57 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 218 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 308 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 379 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 394 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 461 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 479 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 610 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 618 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 705 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 725 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 735 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 772 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 949 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1158 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1165 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1683 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1837 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2161 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2184 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2196 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2253 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2268 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B2744 ASN ** B2877 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3643 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3809 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3895 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3927 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3976 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3977 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4034 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4054 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4100 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4102 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4209 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4650 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4700 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B4886 HIS ** B4973 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4987 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 57 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 105 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 218 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 308 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 379 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 394 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 460 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 461 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 479 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 582 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 610 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 618 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 705 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 725 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 735 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 772 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 949 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1158 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1165 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1640 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1683 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1837 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2161 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2184 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2253 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2268 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C2744 ASN ** C2877 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3643 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3809 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3927 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3976 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3977 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4034 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4054 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4100 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4102 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4162 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4650 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C4886 HIS ** C4973 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4987 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C5006 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 57 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 218 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 308 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 379 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 394 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 461 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 479 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 582 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 610 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 618 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 705 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 725 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 735 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 772 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 949 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1158 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1165 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1683 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1837 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2161 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2184 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2253 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D2744 ASN ** D2763 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2877 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3643 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3809 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3895 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3927 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3976 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3977 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4034 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4100 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4102 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4650 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4700 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D4886 HIS ** D4973 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 7 ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.3236 r_free = 0.3236 target = 0.046347 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 42)----------------| | r_work = 0.2977 r_free = 0.2977 target = 0.038236 restraints weight = 1468978.144| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 2; iterations = 30)----------------| | r_work = 0.3024 r_free = 0.3024 target = 0.039177 restraints weight = 1014712.437| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 3; iterations = 31)----------------| | r_work = 0.3019 r_free = 0.3019 target = 0.039431 restraints weight = 623154.946| |-----------------------------------------------------------------------------| r_work (final): 0.3000 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8347 moved from start: 1.6442 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.029 0.260 119724 Z= 1.892 Angle : 2.558 33.981 163324 Z= 1.308 Chirality : 0.104 0.968 19116 Planarity : 0.019 0.302 21488 Dihedral : 14.957 141.568 17724 Min Nonbonded Distance : 1.674 Molprobity Statistics. All-atom Clashscore : 155.21 Ramachandran Plot: Outliers : 1.56 % Allowed : 44.25 % Favored : 54.19 % Rotamer: Outliers : 27.17 % Allowed : 30.03 % Favored : 42.81 % Cbeta Deviations : 0.23 % Peptide Plane: Cis-proline : 0.64 % Cis-general : 0.00 % Twisted Proline : 11.62 % Twisted General : 5.39 % 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: -7.24 (0.05), residues: 12924 helix: -4.73 (0.04), residues: 5120 sheet: -3.99 (0.18), residues: 620 loop : -5.18 (0.06), residues: 7184 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.108 0.009 TRP A1132 HIS 0.039 0.008 HIS B2194 PHE 0.086 0.009 PHE B2340 TYR 0.083 0.009 TYR A4849 ARG 0.046 0.003 ARG A1661 Origin is already at (0, 0, 0), no shifts will be applied =============================================================================== Job complete usr+sys time: 71265.99 seconds wall clock time: 1224 minutes 12.15 seconds (73452.15 seconds total)