Starting phenix.real_space_refine on Mon Mar 11 18:56:04 2024 by dcliebschner =============================================================================== Processing files: ------------------------------------------------------------------------------- Found model, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7umz_26610/03_2024/7umz_26610_neut_updated.pdb Found real_map, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7umz_26610/03_2024/7umz_26610.map Processing PHIL parameters: ------------------------------------------------------------------------------- Adding command-line PHIL: ------------------------- refinement.macro_cycles=10 scattering_table=electron resolution=3.09 write_initial_geo_file=False Final processed PHIL parameters: ------------------------------------------------------------------------------- data_manager { real_map_files = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7umz_26610/03_2024/7umz_26610.map" default_real_map = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7umz_26610/03_2024/7umz_26610.map" model { file = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7umz_26610/03_2024/7umz_26610_neut_updated.pdb" } default_model = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7umz_26610/03_2024/7umz_26610_neut_updated.pdb" } resolution = 3.09 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= 0.002 sd= 0.026 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 Zn 4 6.06 5 P 20 5.49 5 Mg 13 5.21 5 S 652 5.16 5 C 70228 2.51 5 N 19638 2.21 5 O 20882 1.98 5 sf(0) = scattering factor at diffraction angle 0. Process input model Symmetric amino acids flipped Residue "A GLU 210": "OE1" <-> "OE2" Residue "A GLU 397": "OE1" <-> "OE2" Residue "A PHE 664": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A GLU 2209": "OE1" <-> "OE2" Residue "A GLU 2296": "OE1" <-> "OE2" Residue "A GLU 2449": "OE1" <-> "OE2" Residue "A GLU 4116": "OE1" <-> "OE2" Residue "A GLU 4165": "OE1" <-> "OE2" Residue "A GLU 4244": "OE1" <-> "OE2" Residue "A GLU 4640": "OE1" <-> "OE2" Residue "A GLU 4676": "OE1" <-> "OE2" Residue "A GLU 4690": "OE1" <-> "OE2" Residue "A GLU 4739": "OE1" <-> "OE2" Residue "A GLU 4902": "OE1" <-> "OE2" Residue "A GLU 5002": "OE1" <-> "OE2" Residue "B GLU 210": "OE1" <-> "OE2" Residue "B GLU 397": "OE1" <-> "OE2" Residue "B PHE 664": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B GLU 2209": "OE1" <-> "OE2" Residue "B GLU 2296": "OE1" <-> "OE2" Residue "B GLU 2449": "OE1" <-> "OE2" Residue "B GLU 4116": "OE1" <-> "OE2" Residue "B GLU 4165": "OE1" <-> "OE2" Residue "B GLU 4244": "OE1" <-> "OE2" Residue "B GLU 4676": "OE1" <-> "OE2" Residue "B GLU 4690": "OE1" <-> "OE2" Residue "B GLU 4739": "OE1" <-> "OE2" Residue "B GLU 4902": "OE1" <-> "OE2" Residue "B GLU 4942": "OE1" <-> "OE2" Residue "B GLU 5002": "OE1" <-> "OE2" Residue "C GLU 210": "OE1" <-> "OE2" Residue "C GLU 397": "OE1" <-> "OE2" Residue "C PHE 664": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C GLU 2209": "OE1" <-> "OE2" Residue "C GLU 2296": "OE1" <-> "OE2" Residue "C GLU 2449": "OE1" <-> "OE2" Residue "C GLU 3879": "OE1" <-> "OE2" Residue "C GLU 4116": "OE1" <-> "OE2" Residue "C GLU 4165": "OE1" <-> "OE2" Residue "C GLU 4244": "OE1" <-> "OE2" Residue "C TYR 4629": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C GLU 4676": "OE1" <-> "OE2" Residue "C GLU 4690": "OE1" <-> "OE2" Residue "C GLU 4739": "OE1" <-> "OE2" Residue "C GLU 4902": "OE1" <-> "OE2" Residue "C GLU 5002": "OE1" <-> "OE2" Residue "D GLU 210": "OE1" <-> "OE2" Residue "D GLU 397": "OE1" <-> "OE2" Residue "D ARG 1044": "NH1" <-> "NH2" Residue "D GLU 2209": "OE1" <-> "OE2" Residue "D GLU 2296": "OE1" <-> "OE2" Residue "D GLU 2449": "OE1" <-> "OE2" Residue "D GLU 3872": "OE1" <-> "OE2" Residue "D GLU 4116": "OE1" <-> "OE2" Residue "D GLU 4165": "OE1" <-> "OE2" Residue "D GLU 4244": "OE1" <-> "OE2" Residue "D GLU 4676": "OE1" <-> "OE2" Residue "D GLU 4690": "OE1" <-> "OE2" Residue "D GLU 4739": "OE1" <-> "OE2" Residue "D GLU 4902": "OE1" <-> "OE2" Residue "D GLU 4942": "OE1" <-> "OE2" Residue "D GLU 5002": "OE1" <-> "OE2" Time to flip residues: 0.32s Monomer Library directory: "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5265/modules/chem_data/mon_lib" Total number of atoms: 111437 Number of models: 1 Model: "" Number of chains: 12 Chain: "A" Number of atoms: 27761 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3927, 27761 Classifications: {'peptide': 3927} Modifications used: {'COO': 1} Incomplete info: {'truncation_to_alanine': 1081} Link IDs: {'PTRANS': 141, 'TRANS': 3785} Chain breaks: 23 Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 2809 Unresolved non-hydrogen angles: 3939 Unresolved non-hydrogen dihedrals: 1826 Unresolved non-hydrogen chiralities: 57 Planarities with less than four sites: {'GLN:plan1': 9, 'ARG:plan': 33, 'TYR:plan': 12, 'ASN:plan1': 13, 'TRP:plan': 8, 'HIS:plan': 12, 'PHE:plan': 15, 'GLU:plan': 62, 'ASP:plan': 27, 'UNK:plan-1': 798} Unresolved non-hydrogen planarities: 1673 Chain: "B" Number of atoms: 27785 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3927, 27785 Classifications: {'peptide': 3927} Modifications used: {'COO': 1} Incomplete info: {'truncation_to_alanine': 1073} Link IDs: {'PTRANS': 141, 'TRANS': 3785} Chain breaks: 23 Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 2783 Unresolved non-hydrogen angles: 3903 Unresolved non-hydrogen dihedrals: 1805 Unresolved non-hydrogen chiralities: 54 Planarities with less than four sites: {'GLN:plan1': 12, 'ARG:plan': 32, 'TYR:plan': 11, 'ASN:plan1': 12, 'TRP:plan': 8, 'HIS:plan': 10, 'PHE:plan': 16, 'GLU:plan': 63, 'ASP:plan': 23, 'UNK:plan-1': 798} Unresolved non-hydrogen planarities: 1658 Chain: "C" Number of atoms: 27693 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3927, 27693 Classifications: {'peptide': 3927} Modifications used: {'COO': 1} Incomplete info: {'truncation_to_alanine': 1097} Link IDs: {'PTRANS': 141, 'TRANS': 3785} Chain breaks: 23 Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 2879 Unresolved non-hydrogen angles: 4027 Unresolved non-hydrogen dihedrals: 1882 Unresolved non-hydrogen chiralities: 62 Planarities with less than four sites: {'GLN:plan1': 14, 'ARG:plan': 35, 'TYR:plan': 12, 'ASN:plan1': 14, 'TRP:plan': 8, 'HIS:plan': 13, 'PHE:plan': 16, 'GLU:plan': 65, 'ASP:plan': 25, 'UNK:plan-1': 798} Unresolved non-hydrogen planarities: 1723 Chain: "D" Number of atoms: 27677 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3927, 27677 Classifications: {'peptide': 3927} Modifications used: {'COO': 1} Incomplete info: {'truncation_to_alanine': 1098} Link IDs: {'PTRANS': 141, 'TRANS': 3785} Chain breaks: 23 Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 2896 Unresolved non-hydrogen angles: 4045 Unresolved non-hydrogen dihedrals: 1901 Unresolved non-hydrogen chiralities: 56 Planarities with less than four sites: {'GLN:plan1': 14, 'ARG:plan': 36, 'TYR:plan': 13, 'ASN:plan1': 15, 'TRP:plan': 8, 'HIS:plan': 12, 'PHE:plan': 17, 'GLU:plan': 67, 'ASP:plan': 25, 'UNK:plan-1': 798} Unresolved non-hydrogen planarities: 1747 Chain: "A" Number of atoms: 129 Number of conformers: 1 Conformer: "" Number of residues, atoms: 8, 129 Unusual residues: {' MG': 4, ' ZN': 1, 'ACP': 1, 'LBN': 2} Classifications: {'undetermined': 8} Link IDs: {None: 7} Unresolved non-hydrogen bonds: 11 Unresolved non-hydrogen angles: 11 Unresolved non-hydrogen dihedrals: 11 Chain: "B" Number of atoms: 128 Number of conformers: 1 Conformer: "" Number of residues, atoms: 7, 128 Unusual residues: {' MG': 3, ' ZN': 1, 'ACP': 1, 'LBN': 2} Classifications: {'undetermined': 7} Link IDs: {None: 6} Unresolved non-hydrogen bonds: 11 Unresolved non-hydrogen angles: 11 Unresolved non-hydrogen dihedrals: 11 Chain: "C" Number of atoms: 128 Number of conformers: 1 Conformer: "" Number of residues, atoms: 7, 128 Unusual residues: {' MG': 3, ' ZN': 1, 'ACP': 1, 'LBN': 2} Classifications: {'undetermined': 7} Link IDs: {None: 6} Unresolved non-hydrogen bonds: 11 Unresolved non-hydrogen angles: 11 Unresolved non-hydrogen dihedrals: 11 Chain: "D" Number of atoms: 128 Number of conformers: 1 Conformer: "" Number of residues, atoms: 7, 128 Unusual residues: {' MG': 3, ' ZN': 1, 'ACP': 1, 'LBN': 2} Classifications: {'undetermined': 7} Link IDs: {None: 6} Unresolved non-hydrogen bonds: 11 Unresolved non-hydrogen angles: 11 Unresolved non-hydrogen dihedrals: 11 Chain: "A" Number of atoms: 2 Number of conformers: 1 Conformer: "" Number of residues, atoms: 2, 2 Classifications: {'water': 2} Link IDs: {None: 1} Chain: "B" Number of atoms: 2 Number of conformers: 1 Conformer: "" Number of residues, atoms: 2, 2 Classifications: {'water': 2} Link IDs: {None: 1} Chain: "C" Number of atoms: 2 Number of conformers: 1 Conformer: "" Number of residues, atoms: 2, 2 Classifications: {'water': 2} Link IDs: {None: 1} Chain: "D" Number of atoms: 2 Number of conformers: 1 Conformer: "" Number of residues, atoms: 2, 2 Classifications: {'water': 2} Link IDs: {None: 1} List of CYS excluded from plausible disulfide bonds: (reason: may participate in coordination) ATOM 27093 SG CYS A4958 157.050 174.724 88.324 1.00 38.51 S ATOM 27118 SG CYS A4961 159.679 175.458 91.850 1.00 47.22 S ATOM 54878 SG CYS B4958 174.754 157.708 88.314 1.00 38.51 S ATOM 54903 SG CYS B4961 175.475 155.053 91.871 1.00 47.22 S ATOM 82571 SG CYS C4958 157.691 140.010 88.313 1.00 38.51 S ATOM 82596 SG CYS C4961 155.041 139.300 91.880 1.00 47.22 S ATOM A07WO SG CYS D4958 140.004 157.061 88.309 1.00 38.51 S ATOM A07XD SG CYS D4961 139.296 159.739 91.892 1.00 47.22 S Time building chain proxies: 43.36, per 1000 atoms: 0.39 Number of scatterers: 111437 At special positions: 0 Unit cell: (315.62, 315.62, 193.5, 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 S 652 16.00 P 20 15.00 Mg 13 11.99 O 20882 8.00 N 19638 7.00 C 70228 6.00 sf(0) = scattering factor at diffraction angle 0. Number of disulfides: simple=4, symmetry=0 Simple disulfide: pdb=" SG CYS A4876 " - pdb=" SG CYS A4882 " distance=2.03 Simple disulfide: pdb=" SG CYS B4876 " - pdb=" SG CYS B4882 " distance=2.03 Simple disulfide: pdb=" SG CYS C4876 " - pdb=" SG CYS C4882 " distance=2.03 Simple disulfide: pdb=" SG CYS D4876 " - pdb=" SG CYS D4882 " distance=2.03 Automatic linking Parameters for automatic linking Linking & cutoffs Metal : Auto - 3.50 Amino acid : False - 1.90 Carbohydrate : True - 1.99 Ligands : True - 1.99 Small molecules : False - 1.98 Amino acid - RNA/DNA : False Number of custom bonds: simple=0, symmetry=0 Time building additional restraints: 34.20 Conformation dependent library (CDL) restraints added in 14.4 seconds Dynamic metal coordination Zn2+ tetrahedral coordination pdb=" ZN A5102 " pdb="ZN ZN A5102 " - pdb=" NE2 HIS A4983 " pdb="ZN ZN A5102 " - pdb=" NE2 HIS A4978 " pdb="ZN ZN A5102 " - pdb=" SG CYS A4958 " pdb="ZN ZN A5102 " - pdb=" SG CYS A4961 " pdb=" ZN B5102 " pdb="ZN ZN B5102 " - pdb=" NE2 HIS B4983 " pdb="ZN ZN B5102 " - pdb=" NE2 HIS B4978 " pdb="ZN ZN B5102 " - pdb=" SG CYS B4958 " pdb="ZN ZN B5102 " - pdb=" SG CYS B4961 " pdb=" ZN C5102 " pdb="ZN ZN C5102 " - pdb=" NE2 HIS C4983 " pdb="ZN ZN C5102 " - pdb=" NE2 HIS C4978 " pdb="ZN ZN C5102 " - pdb=" SG CYS C4958 " pdb="ZN ZN C5102 " - pdb=" SG CYS C4961 " pdb=" ZN D5102 " pdb="ZN ZN D5102 " - pdb=" NE2 HIS D4983 " pdb="ZN ZN D5102 " - pdb=" NE2 HIS D4978 " pdb="ZN ZN D5102 " - pdb=" SG CYS D4958 " pdb="ZN ZN D5102 " - pdb=" SG CYS D4961 " Number of angles added : 8 24736 Ramachandran restraints generated. 12368 Oldfield, 0 Emsley, 12368 emsley8k and 0 Phi/Psi/2. Adding C-beta torsion restraints... Number of C-beta restraints generated: 29720 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: 460 helices and 68 sheets defined 54.3% alpha, 8.3% beta 0 base pairs and 0 stacking pairs defined. Time for finding SS restraints: 32.01 Creating SS restraints... Processing helix chain 'A' and resid 61 through 66 removed outlier: 4.784A pdb=" N CYS A 65 " --> pdb=" O ASP A 61 " (cutoff:3.500A) Processing helix chain 'A' and resid 77 through 84 Processing helix chain 'A' and resid 251 through 256 removed outlier: 3.579A pdb=" N HIS A 255 " --> pdb=" O ALA A 251 " (cutoff:3.500A) removed outlier: 4.933A pdb=" N ALA A 256 " --> pdb=" O VAL A 252 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 251 through 256' Processing helix chain 'A' and resid 308 through 313 removed outlier: 3.921A pdb=" N THR A 312 " --> pdb=" O HIS A 308 " (cutoff:3.500A) Processing helix chain 'A' and resid 395 through 422 removed outlier: 3.675A pdb=" N GLN A 399 " --> pdb=" O GLN A 395 " (cutoff:3.500A) Processing helix chain 'A' and resid 437 through 453 removed outlier: 3.511A pdb=" N VAL A 441 " --> pdb=" O PRO A 437 " (cutoff:3.500A) removed outlier: 3.621A pdb=" N PHE A 452 " --> pdb=" O LEU A 448 " (cutoff:3.500A) removed outlier: 3.931A pdb=" N GLU A 453 " --> pdb=" O ILE A 449 " (cutoff:3.500A) Processing helix chain 'A' and resid 460 through 482 removed outlier: 3.692A pdb=" N GLY A 482 " --> pdb=" O PHE A 478 " (cutoff:3.500A) Processing helix chain 'A' and resid 483 through 496 removed outlier: 3.530A pdb=" N LEU A 488 " --> pdb=" O LEU A 484 " (cutoff:3.500A) removed outlier: 3.849A pdb=" N ARG A 493 " --> pdb=" O ASN A 489 " (cutoff:3.500A) removed outlier: 3.638A pdb=" N LEU A 494 " --> pdb=" O CYS A 490 " (cutoff:3.500A) Processing helix chain 'A' and resid 499 through 507 removed outlier: 6.368A pdb=" N PHE A 503 " --> pdb=" O THR A 499 " (cutoff:3.500A) removed outlier: 3.726A pdb=" N ALA A 504 " --> pdb=" O ALA A 500 " (cutoff:3.500A) removed outlier: 4.243A pdb=" N GLU A 505 " --> pdb=" O ALA A 501 " (cutoff:3.500A) removed outlier: 3.723A pdb=" N TYR A 506 " --> pdb=" O HIS A 502 " (cutoff:3.500A) removed outlier: 4.520A pdb=" N ALA A 507 " --> pdb=" O PHE A 503 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 499 through 507' Processing helix chain 'A' and resid 508 through 531 removed outlier: 4.563A pdb=" N ALA A 512 " --> pdb=" O GLY A 508 " (cutoff:3.500A) removed outlier: 7.242A pdb=" N GLU A 513 " --> pdb=" O GLU A 509 " (cutoff:3.500A) removed outlier: 4.531A pdb=" N SER A 514 " --> pdb=" O GLU A 510 " (cutoff:3.500A) removed outlier: 5.221A pdb=" N LYS A 516 " --> pdb=" O ALA A 512 " (cutoff:3.500A) removed outlier: 4.986A pdb=" N GLU A 517 " --> pdb=" O GLU A 513 " (cutoff:3.500A) Processing helix chain 'A' and resid 533 through 541 removed outlier: 3.651A pdb=" N PHE A 540 " --> pdb=" O ASN A 536 " (cutoff:3.500A) removed outlier: 4.345A pdb=" N SER A 541 " --> pdb=" O CYS A 537 " (cutoff:3.500A) Processing helix chain 'A' and resid 543 through 551 removed outlier: 4.237A pdb=" N LYS A 550 " --> pdb=" O TRP A 546 " (cutoff:3.500A) removed outlier: 5.107A pdb=" N LEU A 551 " --> pdb=" O VAL A 547 " (cutoff:3.500A) Processing helix chain 'A' and resid 556 through 571 removed outlier: 4.378A pdb=" N ILE A 560 " --> pdb=" O ALA A 556 " (cutoff:3.500A) removed outlier: 6.403A pdb=" N LEU A 561 " --> pdb=" O SER A 557 " (cutoff:3.500A) Processing helix chain 'A' and resid 572 through 578 removed outlier: 4.039A pdb=" N ASN A 576 " --> pdb=" O PRO A 572 " (cutoff:3.500A) removed outlier: 4.292A pdb=" N ILE A 577 " --> pdb=" O GLU A 573 " (cutoff:3.500A) Processing helix chain 'A' and resid 579 through 593 removed outlier: 4.512A pdb=" N ILE A 583 " --> pdb=" O GLN A 579 " (cutoff:3.500A) Processing helix chain 'A' and resid 596 through 609 removed outlier: 3.666A pdb=" N LEU A 600 " --> pdb=" O ASN A 596 " (cutoff:3.500A) removed outlier: 3.895A pdb=" N CYS A 607 " --> pdb=" O LEU A 603 " (cutoff:3.500A) removed outlier: 5.005A pdb=" N VAL A 608 " --> pdb=" O CYS A 604 " (cutoff:3.500A) removed outlier: 4.898A pdb=" N CYS A 609 " --> pdb=" O SER A 605 " (cutoff:3.500A) Processing helix chain 'A' and resid 614 through 626 removed outlier: 3.581A pdb=" N GLN A 618 " --> pdb=" O VAL A 614 " (cutoff:3.500A) removed outlier: 4.344A pdb=" N LEU A 626 " --> pdb=" O THR A 622 " (cutoff:3.500A) Processing helix chain 'A' and resid 866 through 890 removed outlier: 3.677A pdb=" N ILE A 870 " --> pdb=" O HIS A 866 " (cutoff:3.500A) removed outlier: 4.671A pdb=" N GLY A 890 " --> pdb=" O ARG A 886 " (cutoff:3.500A) Processing helix chain 'A' and resid 914 through 933 removed outlier: 3.811A pdb=" N LEU A 933 " --> pdb=" O LEU A 929 " (cutoff:3.500A) Processing helix chain 'A' and resid 946 through 951 removed outlier: 5.689A pdb=" N LYS A 951 " --> pdb=" O GLU A 947 " (cutoff:3.500A) Processing helix chain 'A' and resid 956 through 961 removed outlier: 3.680A pdb=" N MET A 960 " --> pdb=" O PRO A 956 " (cutoff:3.500A) removed outlier: 4.898A pdb=" N MET A 961 " --> pdb=" O LYS A 957 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 956 through 961' Processing helix chain 'A' and resid 978 through 1003 removed outlier: 3.996A pdb=" N THR A 982 " --> pdb=" O THR A 978 " (cutoff:3.500A) Processing helix chain 'A' and resid 1028 through 1039 Processing helix chain 'A' and resid 1041 through 1050 Processing helix chain 'A' and resid 1574 through 1580 removed outlier: 3.691A pdb=" N ALA A1578 " --> pdb=" O PRO A1574 " (cutoff:3.500A) removed outlier: 5.062A pdb=" N MET A1579 " --> pdb=" O LEU A1575 " (cutoff:3.500A) removed outlier: 4.961A pdb=" N PHE A1580 " --> pdb=" O SER A1576 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 1574 through 1580' Processing helix chain 'A' and resid 1649 through 1657 removed outlier: 4.210A pdb=" N LEU A1653 " --> pdb=" O ASP A1649 " (cutoff:3.500A) removed outlier: 4.661A pdb=" N SER A1654 " --> pdb=" O ILE A1650 " (cutoff:3.500A) removed outlier: 4.557A pdb=" N GLU A1655 " --> pdb=" O LEU A1651 " (cutoff:3.500A) Processing helix chain 'A' and resid 1658 through 1675 Processing helix chain 'A' and resid 1678 through 1690 removed outlier: 4.139A pdb=" N ASP A1690 " --> pdb=" O CYS A1686 " (cutoff:3.500A) Processing helix chain 'A' and resid 1691 through 1701 removed outlier: 4.323A pdb=" N GLU A1699 " --> pdb=" O LEU A1695 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N ASP A1700 " --> pdb=" O HIS A1696 " (cutoff:3.500A) removed outlier: 5.452A pdb=" N ALA A1701 " --> pdb=" O ALA A1697 " (cutoff:3.500A) Processing helix chain 'A' and resid 1704 through 1719 removed outlier: 6.650A pdb=" N ARG A1708 " --> pdb=" O PRO A1704 " (cutoff:3.500A) removed outlier: 3.947A pdb=" N HIS A1719 " --> pdb=" O LEU A1715 " (cutoff:3.500A) Processing helix chain 'A' and resid 1720 through 1732 removed outlier: 4.317A pdb=" N SER A1732 " --> pdb=" O ARG A1728 " (cutoff:3.500A) Processing helix chain 'A' and resid 1739 through 1745 removed outlier: 4.304A pdb=" N ILE A1745 " --> pdb=" O GLU A1741 " (cutoff:3.500A) Processing helix chain 'A' and resid 1803 through 1825 removed outlier: 4.121A pdb=" N LEU A1807 " --> pdb=" O PRO A1803 " (cutoff:3.500A) Processing helix chain 'A' and resid 1833 through 1852 Proline residue: A1840 - end of helix Processing helix chain 'A' and resid 1855 through 1868 removed outlier: 4.699A pdb=" N GLN A1861 " --> pdb=" O GLU A1857 " (cutoff:3.500A) removed outlier: 4.055A pdb=" N ILE A1862 " --> pdb=" O ASP A1858 " (cutoff:3.500A) removed outlier: 5.927A pdb=" N LYS A1864 " --> pdb=" O LYS A1860 " (cutoff:3.500A) Proline residue: A1868 - end of helix Processing helix chain 'A' and resid 1925 through 1930 removed outlier: 5.739A pdb=" N LYS A1930 " --> pdb=" O LEU A1926 " (cutoff:3.500A) Processing helix chain 'A' and resid 1933 through 1984 removed outlier: 7.046A pdb=" N LEU A1937 " --> pdb=" O GLU A1933 " (cutoff:3.500A) removed outlier: 5.040A pdb=" N GLN A1938 " --> pdb=" O SER A1934 " (cutoff:3.500A) removed outlier: 4.831A pdb=" N LEU A1980 " --> pdb=" O ARG A1976 " (cutoff:3.500A) removed outlier: 5.114A pdb=" N MET A1981 " --> pdb=" O TYR A1977 " (cutoff:3.500A) removed outlier: 4.481A pdb=" N ARG A1982 " --> pdb=" O ALA A1978 " (cutoff:3.500A) removed outlier: 6.004A pdb=" N ALA A1983 " --> pdb=" O LEU A1979 " (cutoff:3.500A) removed outlier: 5.177A pdb=" N PHE A1984 " --> pdb=" O LEU A1980 " (cutoff:3.500A) Processing helix chain 'A' and resid 1990 through 1998 Processing helix chain 'A' and resid 2001 through 2011 Processing helix chain 'A' and resid 2024 through 2043 removed outlier: 3.896A pdb=" N ARG A2028 " --> pdb=" O PRO A2024 " (cutoff:3.500A) removed outlier: 4.374A pdb=" N GLY A2043 " --> pdb=" O LEU A2039 " (cutoff:3.500A) Processing helix chain 'A' and resid 2093 through 2109 removed outlier: 4.004A pdb=" N ASP A2109 " --> pdb=" O TRP A2105 " (cutoff:3.500A) Processing helix chain 'A' and resid 2113 through 2130 removed outlier: 3.523A pdb=" N GLY A2130 " --> pdb=" O ARG A2126 " (cutoff:3.500A) Processing helix chain 'A' and resid 2131 through 2142 Proline residue: A2139 - end of helix removed outlier: 5.459A pdb=" N TYR A2142 " --> pdb=" O LEU A2138 " (cutoff:3.500A) Processing helix chain 'A' and resid 2148 through 2169 removed outlier: 3.625A pdb=" N THR A2152 " --> pdb=" O SER A2148 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N ILE A2167 " --> pdb=" O ARG A2163 " (cutoff:3.500A) removed outlier: 4.222A pdb=" N VAL A2168 " --> pdb=" O SER A2164 " (cutoff:3.500A) removed outlier: 5.672A pdb=" N GLN A2169 " --> pdb=" O LEU A2165 " (cutoff:3.500A) Processing helix chain 'A' and resid 2171 through 2189 removed outlier: 3.636A pdb=" N ASN A2188 " --> pdb=" O ASN A2184 " (cutoff:3.500A) removed outlier: 5.620A pdb=" N LYS A2189 " --> pdb=" O ILE A2185 " (cutoff:3.500A) Processing helix chain 'A' and resid 2194 through 2202 removed outlier: 4.102A pdb=" N MET A2198 " --> pdb=" O HIS A2194 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N GLY A2202 " --> pdb=" O MET A2198 " (cutoff:3.500A) Processing helix chain 'A' and resid 2203 through 2216 Processing helix chain 'A' and resid 2218 through 2226 removed outlier: 5.125A pdb=" N PHE A2225 " --> pdb=" O LYS A2221 " (cutoff:3.500A) Proline residue: A2226 - end of helix Processing helix chain 'A' and resid 2227 through 2244 removed outlier: 6.481A pdb=" N SER A2231 " --> pdb=" O LYS A2227 " (cutoff:3.500A) removed outlier: 4.339A pdb=" N SER A2243 " --> pdb=" O PHE A2239 " (cutoff:3.500A) removed outlier: 5.546A pdb=" N ARG A2244 " --> pdb=" O CYS A2240 " (cutoff:3.500A) Processing helix chain 'A' and resid 2245 through 2254 removed outlier: 4.135A pdb=" N SER A2249 " --> pdb=" O GLN A2245 " (cutoff:3.500A) removed outlier: 3.865A pdb=" N ASP A2252 " --> pdb=" O ARG A2248 " (cutoff:3.500A) removed outlier: 4.573A pdb=" N HIS A2253 " --> pdb=" O SER A2249 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N LEU A2254 " --> pdb=" O MET A2250 " (cutoff:3.500A) Processing helix chain 'A' and resid 2255 through 2264 removed outlier: 3.659A pdb=" N GLY A2262 " --> pdb=" O LEU A2258 " (cutoff:3.500A) removed outlier: 4.855A pdb=" N ILE A2263 " --> pdb=" O GLU A2259 " (cutoff:3.500A) Processing helix chain 'A' and resid 2271 through 2281 removed outlier: 3.664A pdb=" N VAL A2280 " --> pdb=" O ALA A2276 " (cutoff:3.500A) Processing helix chain 'A' and resid 2283 through 2290 removed outlier: 3.834A pdb=" N ALA A2287 " --> pdb=" O ASN A2283 " (cutoff:3.500A) removed outlier: 4.580A pdb=" N LEU A2288 " --> pdb=" O ASN A2284 " (cutoff:3.500A) removed outlier: 5.957A pdb=" N ALA A2289 " --> pdb=" O GLU A2285 " (cutoff:3.500A) Processing helix chain 'A' and resid 2293 through 2309 removed outlier: 5.125A pdb=" N GLN A2308 " --> pdb=" O GLY A2304 " (cutoff:3.500A) removed outlier: 5.996A pdb=" N SER A2309 " --> pdb=" O CYS A2305 " (cutoff:3.500A) Processing helix chain 'A' and resid 2310 through 2317 removed outlier: 3.731A pdb=" N LEU A2314 " --> pdb=" O CYS A2310 " (cutoff:3.500A) removed outlier: 4.609A pdb=" N LYS A2316 " --> pdb=" O MET A2312 " (cutoff:3.500A) removed outlier: 4.687A pdb=" N GLY A2317 " --> pdb=" O LEU A2313 " (cutoff:3.500A) Processing helix chain 'A' and resid 2324 through 2341 removed outlier: 5.025A pdb=" N GLY A2328 " --> pdb=" O ASN A2324 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N GLU A2329 " --> pdb=" O PRO A2325 " (cutoff:3.500A) removed outlier: 4.845A pdb=" N ARG A2330 " --> pdb=" O CYS A2326 " (cutoff:3.500A) removed outlier: 7.023A pdb=" N TYR A2331 " --> pdb=" O GLY A2327 " (cutoff:3.500A) removed outlier: 5.011A pdb=" N VAL A2341 " --> pdb=" O PHE A2337 " (cutoff:3.500A) Processing helix chain 'A' and resid 2346 through 2361 removed outlier: 4.040A pdb=" N LYS A2360 " --> pdb=" O LEU A2356 " (cutoff:3.500A) Proline residue: A2361 - end of helix Processing helix chain 'A' and resid 2365 through 2370 Processing helix chain 'A' and resid 2375 through 2390 removed outlier: 4.724A pdb=" N ALA A2379 " --> pdb=" O GLY A2375 " (cutoff:3.500A) Proline residue: A2390 - end of helix Processing helix chain 'A' and resid 2417 through 2437 Processing helix chain 'A' and resid 2441 through 2447 removed outlier: 3.736A pdb=" N ALA A2445 " --> pdb=" O HIS A2441 " (cutoff:3.500A) removed outlier: 4.404A pdb=" N GLY A2446 " --> pdb=" O LEU A2442 " (cutoff:3.500A) Processing helix chain 'A' and resid 2448 through 2462 removed outlier: 3.806A pdb=" N VAL A2461 " --> pdb=" O LEU A2457 " (cutoff:3.500A) Proline residue: A2462 - end of helix Processing helix chain 'A' and resid 2463 through 2473 removed outlier: 7.016A pdb=" N VAL A2467 " --> pdb=" O LEU A2463 " (cutoff:3.500A) Proline residue: A2473 - end of helix Processing helix chain 'A' and resid 3645 through 3662 removed outlier: 4.049A pdb=" N ALA A3649 " --> pdb=" O PRO A3645 " (cutoff:3.500A) removed outlier: 4.389A pdb=" N ILE A3662 " --> pdb=" O LYS A3658 " (cutoff:3.500A) Processing helix chain 'A' and resid 3668 through 3681 removed outlier: 4.238A pdb=" N ALA A3680 " --> pdb=" O ASP A3676 " (cutoff:3.500A) removed outlier: 4.281A pdb=" N GLY A3681 " --> pdb=" O LEU A3677 " (cutoff:3.500A) Processing helix chain 'A' and resid 3696 through 3711 Processing helix chain 'A' and resid 3719 through 3740 removed outlier: 5.291A pdb=" N GLU A3736 " --> pdb=" O SER A3732 " (cutoff:3.500A) removed outlier: 4.789A pdb=" N GLU A3737 " --> pdb=" O CYS A3733 " (cutoff:3.500A) Processing helix chain 'A' and resid 3752 through 3772 removed outlier: 3.675A pdb=" N LEU A3770 " --> pdb=" O GLN A3766 " (cutoff:3.500A) removed outlier: 3.713A pdb=" N THR A3772 " --> pdb=" O SER A3768 " (cutoff:3.500A) Processing helix chain 'A' and resid 3774 through 3787 removed outlier: 3.700A pdb=" N CYS A3786 " --> pdb=" O MET A3782 " (cutoff:3.500A) removed outlier: 5.259A pdb=" N LYS A3787 " --> pdb=" O ILE A3783 " (cutoff:3.500A) Processing helix chain 'A' and resid 3791 through 3806 Processing helix chain 'A' and resid 3809 through 3824 Processing helix chain 'A' and resid 3826 through 3839 removed outlier: 6.886A pdb=" N GLN A3830 " --> pdb=" O VAL A3826 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N CYS A3839 " --> pdb=" O LEU A3835 " (cutoff:3.500A) Processing helix chain 'A' and resid 3843 through 3856 removed outlier: 3.649A pdb=" N ALA A3853 " --> pdb=" O ARG A3849 " (cutoff:3.500A) removed outlier: 4.490A pdb=" N GLU A3854 " --> pdb=" O GLN A3850 " (cutoff:3.500A) removed outlier: 3.894A pdb=" N GLY A3855 " --> pdb=" O ASN A3851 " (cutoff:3.500A) removed outlier: 3.846A pdb=" N LEU A3856 " --> pdb=" O LYS A3852 " (cutoff:3.500A) Processing helix chain 'A' and resid 3864 through 3871 Processing helix chain 'A' and resid 3877 through 3893 removed outlier: 4.068A pdb=" N THR A3881 " --> pdb=" O ASP A3877 " (cutoff:3.500A) removed outlier: 3.891A pdb=" N GLN A3882 " --> pdb=" O ASP A3878 " (cutoff:3.500A) Processing helix chain 'A' and resid 3896 through 3905 removed outlier: 3.774A pdb=" N GLN A3900 " --> pdb=" O ASN A3896 " (cutoff:3.500A) removed outlier: 4.087A pdb=" N ARG A3904 " --> pdb=" O GLN A3900 " (cutoff:3.500A) Processing helix chain 'A' and resid 3914 through 3939 removed outlier: 3.654A pdb=" N CYS A3918 " --> pdb=" O ASN A3914 " (cutoff:3.500A) removed outlier: 4.596A pdb=" N GLY A3939 " --> pdb=" O TRP A3935 " (cutoff:3.500A) Processing helix chain 'A' and resid 3944 through 3970 Processing helix chain 'A' and resid 3973 through 3983 Processing helix chain 'A' and resid 3984 through 4004 removed outlier: 3.628A pdb=" N ALA A3988 " --> pdb=" O ARG A3984 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N GLY A3991 " --> pdb=" O ASP A3987 " (cutoff:3.500A) Processing helix chain 'A' and resid 4009 through 4032 removed outlier: 3.624A pdb=" N LEU A4031 " --> pdb=" O LEU A4027 " (cutoff:3.500A) removed outlier: 4.039A pdb=" N GLU A4032 " --> pdb=" O LEU A4028 " (cutoff:3.500A) Processing helix chain 'A' and resid 4038 through 4052 removed outlier: 4.971A pdb=" N ARG A4042 " --> pdb=" O GLY A4038 " (cutoff:3.500A) Processing helix chain 'A' and resid 4053 through 4072 removed outlier: 3.851A pdb=" N ASP A4070 " --> pdb=" O LEU A4066 " (cutoff:3.500A) Processing helix chain 'A' and resid 4089 through 4099 removed outlier: 3.772A pdb=" N SER A4099 " --> pdb=" O LYS A4095 " (cutoff:3.500A) Processing helix chain 'A' and resid 4107 through 4115 removed outlier: 4.220A pdb=" N LEU A4111 " --> pdb=" O GLU A4107 " (cutoff:3.500A) Processing helix chain 'A' and resid 4124 through 4129 Processing helix chain 'A' and resid 4134 through 4154 removed outlier: 4.004A pdb=" N ASP A4138 " --> pdb=" O GLU A4134 " (cutoff:3.500A) removed outlier: 3.867A pdb=" N ILE A4139 " --> pdb=" O PRO A4135 " (cutoff:3.500A) removed outlier: 4.720A pdb=" N VAL A4154 " --> pdb=" O LEU A4150 " (cutoff:3.500A) Processing helix chain 'A' and resid 4157 through 4168 removed outlier: 3.559A pdb=" N ARG A4161 " --> pdb=" O ASP A4157 " (cutoff:3.500A) removed outlier: 3.821A pdb=" N ASN A4162 " --> pdb=" O PRO A4158 " (cutoff:3.500A) removed outlier: 3.962A pdb=" N PHE A4163 " --> pdb=" O ARG A4159 " (cutoff:3.500A) Processing helix chain 'A' and resid 4169 through 4175 Processing helix chain 'A' and resid 4198 through 4207 removed outlier: 3.912A pdb=" N MET A4207 " --> pdb=" O ALA A4203 " (cutoff:3.500A) Processing helix chain 'A' and resid 4208 through 4224 Processing helix chain 'A' and resid 4229 through 4252 Processing helix chain 'A' and resid 4540 through 4559 removed outlier: 4.214A pdb=" N PHE A4559 " --> pdb=" O LEU A4555 " (cutoff:3.500A) Processing helix chain 'A' and resid 4560 through 4579 removed outlier: 4.381A pdb=" N PHE A4579 " --> pdb=" O PHE A4575 " (cutoff:3.500A) Processing helix chain 'A' and resid 4637 through 4683 Proline residue: A4641 - end of helix removed outlier: 4.265A pdb=" N VAL A4666 " --> pdb=" O ASN A4662 " (cutoff:3.500A) Proline residue: A4667 - end of helix Processing helix chain 'A' and resid 4696 through 4709 removed outlier: 3.781A pdb=" N ARG A4703 " --> pdb=" O GLY A4699 " (cutoff:3.500A) removed outlier: 4.580A pdb=" N LEU A4704 " --> pdb=" O GLN A4700 " (cutoff:3.500A) removed outlier: 4.744A pdb=" N VAL A4705 " --> pdb=" O TRP A4701 " (cutoff:3.500A) removed outlier: 3.807A pdb=" N LEU A4706 " --> pdb=" O ASP A4702 " (cutoff:3.500A) removed outlier: 4.228A pdb=" N ASN A4707 " --> pdb=" O ARG A4703 " (cutoff:3.500A) removed outlier: 4.076A pdb=" N THR A4708 " --> pdb=" O LEU A4704 " (cutoff:3.500A) Proline residue: A4709 - end of helix Processing helix chain 'A' and resid 4719 through 4729 Processing helix chain 'A' and resid 4733 through 4742 removed outlier: 3.504A pdb=" N GLY A4742 " --> pdb=" O ALA A4738 " (cutoff:3.500A) Processing helix chain 'A' and resid 4745 through 4750 removed outlier: 3.756A pdb=" N ILE A4750 " --> pdb=" O ALA A4746 " (cutoff:3.500A) Processing helix chain 'A' and resid 4765 through 4771 removed outlier: 4.254A pdb=" N MET A4769 " --> pdb=" O LEU A4765 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N ILE A4771 " --> pdb=" O TRP A4767 " (cutoff:3.500A) Processing helix chain 'A' and resid 4772 through 4787 removed outlier: 5.775A pdb=" N ASN A4787 " --> pdb=" O ILE A4783 " (cutoff:3.500A) Processing helix chain 'A' and resid 4788 through 4805 removed outlier: 3.824A pdb=" N HIS A4803 " --> pdb=" O SER A4799 " (cutoff:3.500A) removed outlier: 4.334A pdb=" N TYR A4804 " --> pdb=" O LEU A4800 " (cutoff:3.500A) removed outlier: 5.341A pdb=" N ASN A4805 " --> pdb=" O LEU A4801 " (cutoff:3.500A) Processing helix chain 'A' and resid 4807 through 4820 removed outlier: 4.907A pdb=" N ALA A4811 " --> pdb=" O PHE A4807 " (cutoff:3.500A) removed outlier: 4.781A pdb=" N HIS A4812 " --> pdb=" O PHE A4808 " (cutoff:3.500A) removed outlier: 4.531A pdb=" N LEU A4813 " --> pdb=" O PHE A4809 " (cutoff:3.500A) removed outlier: 4.425A pdb=" N LEU A4814 " --> pdb=" O ALA A4810 " (cutoff:3.500A) removed outlier: 4.141A pdb=" N MET A4818 " --> pdb=" O LEU A4814 " (cutoff:3.500A) removed outlier: 4.991A pdb=" N GLY A4819 " --> pdb=" O ASP A4815 " (cutoff:3.500A) removed outlier: 4.134A pdb=" N VAL A4820 " --> pdb=" O ILE A4816 " (cutoff:3.500A) Processing helix chain 'A' and resid 4821 through 4832 removed outlier: 3.900A pdb=" N SER A4829 " --> pdb=" O THR A4825 " (cutoff:3.500A) removed outlier: 4.079A pdb=" N VAL A4830 " --> pdb=" O ILE A4826 " (cutoff:3.500A) Processing helix chain 'A' and resid 4833 through 4859 Processing helix chain 'A' and resid 4878 through 4893 removed outlier: 4.622A pdb=" N VAL A4891 " --> pdb=" O MET A4887 " (cutoff:3.500A) removed outlier: 4.578A pdb=" N ARG A4892 " --> pdb=" O TYR A4888 " (cutoff:3.500A) Processing helix chain 'A' and resid 4896 through 4901 removed outlier: 4.960A pdb=" N GLU A4900 " --> pdb=" O GLY A4896 " (cutoff:3.500A) Processing helix chain 'A' and resid 4909 through 4924 Processing helix chain 'A' and resid 4928 through 4957 removed outlier: 3.658A pdb=" N ILE A4932 " --> pdb=" O LEU A4928 " (cutoff:3.500A) Processing helix chain 'A' and resid 4964 through 4970 removed outlier: 3.927A pdb=" N PHE A4968 " --> pdb=" O GLY A4964 " (cutoff:3.500A) removed outlier: 4.047A pdb=" N THR A4970 " --> pdb=" O ASP A4966 " (cutoff:3.500A) Processing helix chain 'A' and resid 4973 through 4981 Processing helix chain 'A' and resid 4984 through 4999 removed outlier: 5.636A pdb=" N TYR A4988 " --> pdb=" O ASN A4984 " (cutoff:3.500A) removed outlier: 5.289A 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 5027 through 5033 Processing helix chain 'A' and resid 4685 through 4690 Processing helix chain 'B' and resid 61 through 66 removed outlier: 4.784A pdb=" N CYS B 65 " --> pdb=" O ASP B 61 " (cutoff:3.500A) Processing helix chain 'B' and resid 77 through 84 Processing helix chain 'B' and resid 251 through 256 removed outlier: 3.579A pdb=" N HIS B 255 " --> pdb=" O ALA B 251 " (cutoff:3.500A) removed outlier: 4.934A pdb=" N ALA B 256 " --> pdb=" O VAL B 252 " (cutoff:3.500A) No H-bonds generated for 'chain 'B' and resid 251 through 256' Processing helix chain 'B' and resid 308 through 313 removed outlier: 3.921A pdb=" N THR B 312 " --> pdb=" O HIS B 308 " (cutoff:3.500A) Processing helix chain 'B' and resid 395 through 422 removed outlier: 3.719A pdb=" N GLN B 399 " --> pdb=" O GLN B 395 " (cutoff:3.500A) Processing helix chain 'B' and resid 437 through 453 removed outlier: 3.509A pdb=" N VAL B 441 " --> pdb=" O PRO B 437 " (cutoff:3.500A) removed outlier: 3.621A pdb=" N PHE B 452 " --> pdb=" O LEU B 448 " (cutoff:3.500A) removed outlier: 3.931A pdb=" N GLU B 453 " --> pdb=" O ILE B 449 " (cutoff:3.500A) Processing helix chain 'B' and resid 460 through 482 removed outlier: 3.691A pdb=" N GLY B 482 " --> pdb=" O PHE B 478 " (cutoff:3.500A) Processing helix chain 'B' and resid 483 through 496 removed outlier: 3.530A pdb=" N LEU B 488 " --> pdb=" O LEU B 484 " (cutoff:3.500A) removed outlier: 3.849A pdb=" N ARG B 493 " --> pdb=" O ASN B 489 " (cutoff:3.500A) removed outlier: 3.637A pdb=" N LEU B 494 " --> pdb=" O CYS B 490 " (cutoff:3.500A) Processing helix chain 'B' and resid 499 through 507 removed outlier: 6.369A pdb=" N PHE B 503 " --> pdb=" O THR B 499 " (cutoff:3.500A) removed outlier: 3.726A pdb=" N ALA B 504 " --> pdb=" O ALA B 500 " (cutoff:3.500A) removed outlier: 4.243A pdb=" N GLU B 505 " --> pdb=" O ALA B 501 " (cutoff:3.500A) removed outlier: 3.722A pdb=" N TYR B 506 " --> pdb=" O HIS B 502 " (cutoff:3.500A) removed outlier: 4.521A pdb=" N ALA B 507 " --> pdb=" O PHE B 503 " (cutoff:3.500A) No H-bonds generated for 'chain 'B' and resid 499 through 507' Processing helix chain 'B' and resid 508 through 531 removed outlier: 4.562A pdb=" N ALA B 512 " --> pdb=" O GLY B 508 " (cutoff:3.500A) removed outlier: 7.242A pdb=" N GLU B 513 " --> pdb=" O GLU B 509 " (cutoff:3.500A) removed outlier: 4.531A pdb=" N SER B 514 " --> pdb=" O GLU B 510 " (cutoff:3.500A) removed outlier: 5.220A pdb=" N LYS B 516 " --> pdb=" O ALA B 512 " (cutoff:3.500A) removed outlier: 4.985A pdb=" N GLU B 517 " --> pdb=" O GLU B 513 " (cutoff:3.500A) Processing helix chain 'B' and resid 533 through 541 removed outlier: 3.652A pdb=" N PHE B 540 " --> pdb=" O ASN B 536 " (cutoff:3.500A) removed outlier: 4.344A pdb=" N SER B 541 " --> pdb=" O CYS B 537 " (cutoff:3.500A) Processing helix chain 'B' and resid 543 through 551 removed outlier: 4.236A pdb=" N LYS B 550 " --> pdb=" O TRP B 546 " (cutoff:3.500A) removed outlier: 5.108A pdb=" N LEU B 551 " --> pdb=" O VAL B 547 " (cutoff:3.500A) Processing helix chain 'B' and resid 556 through 571 removed outlier: 4.379A pdb=" N ILE B 560 " --> pdb=" O ALA B 556 " (cutoff:3.500A) removed outlier: 6.402A pdb=" N LEU B 561 " --> pdb=" O SER B 557 " (cutoff:3.500A) Processing helix chain 'B' and resid 572 through 578 removed outlier: 4.038A pdb=" N ASN B 576 " --> pdb=" O PRO B 572 " (cutoff:3.500A) removed outlier: 4.293A pdb=" N ILE B 577 " --> pdb=" O GLU B 573 " (cutoff:3.500A) Processing helix chain 'B' and resid 579 through 593 removed outlier: 4.511A pdb=" N ILE B 583 " --> pdb=" O GLN B 579 " (cutoff:3.500A) Processing helix chain 'B' and resid 596 through 609 removed outlier: 3.667A pdb=" N LEU B 600 " --> pdb=" O ASN B 596 " (cutoff:3.500A) removed outlier: 3.896A pdb=" N CYS B 607 " --> pdb=" O LEU B 603 " (cutoff:3.500A) removed outlier: 5.005A pdb=" N VAL B 608 " --> pdb=" O CYS B 604 " (cutoff:3.500A) removed outlier: 4.898A pdb=" N CYS B 609 " --> pdb=" O SER B 605 " (cutoff:3.500A) Processing helix chain 'B' and resid 614 through 626 removed outlier: 3.582A pdb=" N GLN B 618 " --> pdb=" O VAL B 614 " (cutoff:3.500A) removed outlier: 4.344A pdb=" N LEU B 626 " --> pdb=" O THR B 622 " (cutoff:3.500A) Processing helix chain 'B' and resid 866 through 890 removed outlier: 3.677A pdb=" N ILE B 870 " --> pdb=" O HIS B 866 " (cutoff:3.500A) removed outlier: 4.670A pdb=" N GLY B 890 " --> pdb=" O ARG B 886 " (cutoff:3.500A) Processing helix chain 'B' and resid 914 through 933 removed outlier: 3.812A pdb=" N LEU B 933 " --> pdb=" O LEU B 929 " (cutoff:3.500A) Processing helix chain 'B' and resid 946 through 951 removed outlier: 5.688A pdb=" N LYS B 951 " --> pdb=" O GLU B 947 " (cutoff:3.500A) Processing helix chain 'B' and resid 956 through 961 removed outlier: 3.680A pdb=" N MET B 960 " --> pdb=" O PRO B 956 " (cutoff:3.500A) removed outlier: 4.897A pdb=" N MET B 961 " --> pdb=" O LYS B 957 " (cutoff:3.500A) No H-bonds generated for 'chain 'B' and resid 956 through 961' Processing helix chain 'B' and resid 978 through 1003 removed outlier: 3.996A pdb=" N THR B 982 " --> pdb=" O THR B 978 " (cutoff:3.500A) Processing helix chain 'B' and resid 1028 through 1039 Processing helix chain 'B' and resid 1041 through 1050 Processing helix chain 'B' and resid 1574 through 1580 removed outlier: 3.692A pdb=" N ALA B1578 " --> pdb=" O PRO B1574 " (cutoff:3.500A) removed outlier: 5.061A pdb=" N MET B1579 " --> pdb=" O LEU B1575 " (cutoff:3.500A) removed outlier: 4.961A pdb=" N PHE B1580 " --> pdb=" O SER B1576 " (cutoff:3.500A) No H-bonds generated for 'chain 'B' and resid 1574 through 1580' Processing helix chain 'B' and resid 1649 through 1657 removed outlier: 4.210A pdb=" N LEU B1653 " --> pdb=" O ASP B1649 " (cutoff:3.500A) removed outlier: 4.662A pdb=" N SER B1654 " --> pdb=" O ILE B1650 " (cutoff:3.500A) removed outlier: 4.556A pdb=" N GLU B1655 " --> pdb=" O LEU B1651 " (cutoff:3.500A) Processing helix chain 'B' and resid 1658 through 1675 Processing helix chain 'B' and resid 1678 through 1690 removed outlier: 4.139A pdb=" N ASP B1690 " --> pdb=" O CYS B1686 " (cutoff:3.500A) Processing helix chain 'B' and resid 1691 through 1701 removed outlier: 4.322A pdb=" N GLU B1699 " --> pdb=" O LEU B1695 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N ASP B1700 " --> pdb=" O HIS B1696 " (cutoff:3.500A) removed outlier: 5.451A pdb=" N ALA B1701 " --> pdb=" O ALA B1697 " (cutoff:3.500A) Processing helix chain 'B' and resid 1704 through 1719 removed outlier: 6.650A pdb=" N ARG B1708 " --> pdb=" O PRO B1704 " (cutoff:3.500A) removed outlier: 3.947A pdb=" N HIS B1719 " --> pdb=" O LEU B1715 " (cutoff:3.500A) Processing helix chain 'B' and resid 1720 through 1732 removed outlier: 4.317A pdb=" N SER B1732 " --> pdb=" O ARG B1728 " (cutoff:3.500A) Processing helix chain 'B' and resid 1739 through 1745 removed outlier: 4.304A pdb=" N ILE B1745 " --> pdb=" O GLU B1741 " (cutoff:3.500A) Processing helix chain 'B' and resid 1803 through 1825 removed outlier: 4.121A pdb=" N LEU B1807 " --> pdb=" O PRO B1803 " (cutoff:3.500A) Processing helix chain 'B' and resid 1833 through 1852 Proline residue: B1840 - end of helix Processing helix chain 'B' and resid 1855 through 1868 removed outlier: 4.699A pdb=" N GLN B1861 " --> pdb=" O GLU B1857 " (cutoff:3.500A) removed outlier: 4.054A pdb=" N ILE B1862 " --> pdb=" O ASP B1858 " (cutoff:3.500A) removed outlier: 5.926A pdb=" N LYS B1864 " --> pdb=" O LYS B1860 " (cutoff:3.500A) Proline residue: B1868 - end of helix Processing helix chain 'B' and resid 1925 through 1930 removed outlier: 5.739A pdb=" N LYS B1930 " --> pdb=" O LEU B1926 " (cutoff:3.500A) Processing helix chain 'B' and resid 1933 through 1984 removed outlier: 7.047A pdb=" N LEU B1937 " --> pdb=" O GLU B1933 " (cutoff:3.500A) removed outlier: 5.039A pdb=" N GLN B1938 " --> pdb=" O SER B1934 " (cutoff:3.500A) removed outlier: 4.935A pdb=" N LEU B1980 " --> pdb=" O ARG B1976 " (cutoff:3.500A) removed outlier: 5.101A pdb=" N MET B1981 " --> pdb=" O TYR B1977 " (cutoff:3.500A) removed outlier: 4.724A pdb=" N ARG B1982 " --> pdb=" O ALA B1978 " (cutoff:3.500A) removed outlier: 5.659A pdb=" N ALA B1983 " --> pdb=" O LEU B1979 " (cutoff:3.500A) removed outlier: 4.699A pdb=" N PHE B1984 " --> pdb=" O LEU B1980 " (cutoff:3.500A) Processing helix chain 'B' and resid 1990 through 1998 Processing helix chain 'B' and resid 2001 through 2011 Processing helix chain 'B' and resid 2024 through 2043 removed outlier: 3.896A pdb=" N ARG B2028 " --> pdb=" O PRO B2024 " (cutoff:3.500A) removed outlier: 4.366A pdb=" N GLY B2043 " --> pdb=" O LEU B2039 " (cutoff:3.500A) Processing helix chain 'B' and resid 2093 through 2109 removed outlier: 4.003A pdb=" N ASP B2109 " --> pdb=" O TRP B2105 " (cutoff:3.500A) Processing helix chain 'B' and resid 2113 through 2130 removed outlier: 3.524A pdb=" N GLY B2130 " --> pdb=" O ARG B2126 " (cutoff:3.500A) Processing helix chain 'B' and resid 2131 through 2142 Proline residue: B2139 - end of helix removed outlier: 5.459A pdb=" N TYR B2142 " --> pdb=" O LEU B2138 " (cutoff:3.500A) Processing helix chain 'B' and resid 2148 through 2169 removed outlier: 3.625A pdb=" N THR B2152 " --> pdb=" O SER B2148 " (cutoff:3.500A) removed outlier: 4.354A pdb=" N ILE B2167 " --> pdb=" O ARG B2163 " (cutoff:3.500A) removed outlier: 4.222A pdb=" N VAL B2168 " --> pdb=" O SER B2164 " (cutoff:3.500A) removed outlier: 5.672A pdb=" N GLN B2169 " --> pdb=" O LEU B2165 " (cutoff:3.500A) Processing helix chain 'B' and resid 2171 through 2189 removed outlier: 3.636A pdb=" N ASN B2188 " --> pdb=" O ASN B2184 " (cutoff:3.500A) removed outlier: 5.619A pdb=" N LYS B2189 " --> pdb=" O ILE B2185 " (cutoff:3.500A) Processing helix chain 'B' and resid 2194 through 2202 removed outlier: 4.102A pdb=" N MET B2198 " --> pdb=" O HIS B2194 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N GLY B2202 " --> pdb=" O MET B2198 " (cutoff:3.500A) Processing helix chain 'B' and resid 2203 through 2216 Processing helix chain 'B' and resid 2218 through 2226 removed outlier: 5.126A pdb=" N PHE B2225 " --> pdb=" O LYS B2221 " (cutoff:3.500A) Proline residue: B2226 - end of helix Processing helix chain 'B' and resid 2227 through 2244 removed outlier: 6.480A pdb=" N SER B2231 " --> pdb=" O LYS B2227 " (cutoff:3.500A) removed outlier: 4.338A pdb=" N SER B2243 " --> pdb=" O PHE B2239 " (cutoff:3.500A) removed outlier: 5.546A pdb=" N ARG B2244 " --> pdb=" O CYS B2240 " (cutoff:3.500A) Processing helix chain 'B' and resid 2245 through 2254 removed outlier: 4.384A pdb=" N SER B2249 " --> pdb=" O GLN B2245 " (cutoff:3.500A) removed outlier: 4.574A pdb=" N HIS B2253 " --> pdb=" O SER B2249 " (cutoff:3.500A) removed outlier: 4.359A pdb=" N LEU B2254 " --> pdb=" O MET B2250 " (cutoff:3.500A) Processing helix chain 'B' and resid 2255 through 2264 removed outlier: 3.659A pdb=" N GLY B2262 " --> pdb=" O LEU B2258 " (cutoff:3.500A) removed outlier: 4.856A pdb=" N ILE B2263 " --> pdb=" O GLU B2259 " (cutoff:3.500A) Processing helix chain 'B' and resid 2271 through 2281 removed outlier: 3.665A pdb=" N VAL B2280 " --> pdb=" O ALA B2276 " (cutoff:3.500A) Processing helix chain 'B' and resid 2283 through 2290 removed outlier: 4.677A pdb=" N ALA B2287 " --> pdb=" O ASN B2283 " (cutoff:3.500A) removed outlier: 4.143A pdb=" N LEU B2288 " --> pdb=" O ASN B2284 " (cutoff:3.500A) removed outlier: 6.494A pdb=" N ALA B2289 " --> pdb=" O GLU B2285 " (cutoff:3.500A) removed outlier: 5.399A pdb=" N LEU B2290 " --> pdb=" O LEU B2286 " (cutoff:3.500A) No H-bonds generated for 'chain 'B' and resid 2283 through 2290' Processing helix chain 'B' and resid 2293 through 2309 removed outlier: 5.125A pdb=" N GLN B2308 " --> pdb=" O GLY B2304 " (cutoff:3.500A) removed outlier: 5.996A pdb=" N SER B2309 " --> pdb=" O CYS B2305 " (cutoff:3.500A) Processing helix chain 'B' and resid 2310 through 2317 removed outlier: 3.731A pdb=" N LEU B2314 " --> pdb=" O CYS B2310 " (cutoff:3.500A) removed outlier: 4.609A pdb=" N LYS B2316 " --> pdb=" O MET B2312 " (cutoff:3.500A) removed outlier: 4.686A pdb=" N GLY B2317 " --> pdb=" O LEU B2313 " (cutoff:3.500A) Processing helix chain 'B' and resid 2324 through 2341 removed outlier: 5.024A pdb=" N GLY B2328 " --> pdb=" O ASN B2324 " (cutoff:3.500A) removed outlier: 3.742A pdb=" N GLU B2329 " --> pdb=" O PRO B2325 " (cutoff:3.500A) removed outlier: 4.845A pdb=" N ARG B2330 " --> pdb=" O CYS B2326 " (cutoff:3.500A) removed outlier: 7.022A pdb=" N TYR B2331 " --> pdb=" O GLY B2327 " (cutoff:3.500A) removed outlier: 5.012A pdb=" N VAL B2341 " --> pdb=" O PHE B2337 " (cutoff:3.500A) Processing helix chain 'B' and resid 2346 through 2361 removed outlier: 4.040A pdb=" N LYS B2360 " --> pdb=" O LEU B2356 " (cutoff:3.500A) Proline residue: B2361 - end of helix Processing helix chain 'B' and resid 2365 through 2370 Processing helix chain 'B' and resid 2375 through 2390 removed outlier: 4.725A pdb=" N ALA B2379 " --> pdb=" O GLY B2375 " (cutoff:3.500A) Proline residue: B2390 - end of helix Processing helix chain 'B' and resid 2417 through 2437 Processing helix chain 'B' and resid 2441 through 2447 removed outlier: 3.737A pdb=" N ALA B2445 " --> pdb=" O HIS B2441 " (cutoff:3.500A) removed outlier: 4.405A pdb=" N GLY B2446 " --> pdb=" O LEU B2442 " (cutoff:3.500A) Processing helix chain 'B' and resid 2448 through 2462 removed outlier: 3.806A pdb=" N VAL B2461 " --> pdb=" O LEU B2457 " (cutoff:3.500A) Proline residue: B2462 - end of helix Processing helix chain 'B' and resid 2463 through 2473 removed outlier: 7.016A pdb=" N VAL B2467 " --> pdb=" O LEU B2463 " (cutoff:3.500A) Proline residue: B2473 - end of helix Processing helix chain 'B' and resid 3645 through 3662 removed outlier: 6.351A pdb=" N ALA B3649 " --> pdb=" O PRO B3645 " (cutoff:3.500A) removed outlier: 4.390A pdb=" N ILE B3662 " --> pdb=" O LYS B3658 " (cutoff:3.500A) Processing helix chain 'B' and resid 3668 through 3681 removed outlier: 6.442A pdb=" N ARG B3672 " --> pdb=" O SER B3668 " (cutoff:3.500A) removed outlier: 4.239A pdb=" N ALA B3680 " --> pdb=" O ASP B3676 " (cutoff:3.500A) removed outlier: 4.282A pdb=" N GLY B3681 " --> pdb=" O LEU B3677 " (cutoff:3.500A) Processing helix chain 'B' and resid 3696 through 3711 Processing helix chain 'B' and resid 3719 through 3740 removed outlier: 5.292A pdb=" N GLU B3736 " --> pdb=" O SER B3732 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N GLU B3737 " --> pdb=" O CYS B3733 " (cutoff:3.500A) Processing helix chain 'B' and resid 3752 through 3772 removed outlier: 3.675A pdb=" N LEU B3770 " --> pdb=" O GLN B3766 " (cutoff:3.500A) removed outlier: 3.713A pdb=" N THR B3772 " --> pdb=" O SER B3768 " (cutoff:3.500A) Processing helix chain 'B' and resid 3774 through 3787 removed outlier: 3.700A pdb=" N CYS B3786 " --> pdb=" O MET B3782 " (cutoff:3.500A) removed outlier: 5.260A pdb=" N LYS B3787 " --> pdb=" O ILE B3783 " (cutoff:3.500A) Processing helix chain 'B' and resid 3791 through 3806 Processing helix chain 'B' and resid 3809 through 3824 Processing helix chain 'B' and resid 3826 through 3839 removed outlier: 6.886A pdb=" N GLN B3830 " --> pdb=" O VAL B3826 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N CYS B3839 " --> pdb=" O LEU B3835 " (cutoff:3.500A) Processing helix chain 'B' and resid 3843 through 3856 removed outlier: 3.902A pdb=" N ALA B3853 " --> pdb=" O ARG B3849 " (cutoff:3.500A) removed outlier: 4.421A pdb=" N GLU B3854 " --> pdb=" O GLN B3850 " (cutoff:3.500A) Processing helix chain 'B' and resid 3864 through 3871 removed outlier: 5.107A pdb=" N ARG B3868 " --> pdb=" O THR B3864 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N GLN B3869 " --> pdb=" O VAL B3865 " (cutoff:3.500A) removed outlier: 9.353A pdb=" N ASN B3870 " --> pdb=" O ILE B3866 " (cutoff:3.500A) removed outlier: 7.525A pdb=" N GLY B3871 " --> pdb=" O ASN B3867 " (cutoff:3.500A) No H-bonds generated for 'chain 'B' and resid 3864 through 3871' Processing helix chain 'B' and resid 3877 through 3893 removed outlier: 4.740A pdb=" N THR B3881 " --> pdb=" O ASP B3877 " (cutoff:3.500A) removed outlier: 3.891A pdb=" N GLN B3882 " --> pdb=" O ASP B3878 " (cutoff:3.500A) Processing helix chain 'B' and resid 3896 through 3905 removed outlier: 3.777A pdb=" N GLN B3900 " --> pdb=" O ASN B3896 " (cutoff:3.500A) removed outlier: 4.087A pdb=" N ARG B3904 " --> pdb=" O GLN B3900 " (cutoff:3.500A) Processing helix chain 'B' and resid 3914 through 3939 removed outlier: 3.655A pdb=" N CYS B3918 " --> pdb=" O ASN B3914 " (cutoff:3.500A) removed outlier: 4.597A pdb=" N GLY B3939 " --> pdb=" O TRP B3935 " (cutoff:3.500A) Processing helix chain 'B' and resid 3944 through 3970 Processing helix chain 'B' and resid 3973 through 3983 Processing helix chain 'B' and resid 3984 through 4004 removed outlier: 3.627A pdb=" N ALA B3988 " --> pdb=" O ARG B3984 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N GLY B3991 " --> pdb=" O ASP B3987 " (cutoff:3.500A) Processing helix chain 'B' and resid 4009 through 4032 removed outlier: 3.624A pdb=" N LEU B4031 " --> pdb=" O LEU B4027 " (cutoff:3.500A) removed outlier: 4.039A pdb=" N GLU B4032 " --> pdb=" O LEU B4028 " (cutoff:3.500A) Processing helix chain 'B' and resid 4038 through 4052 removed outlier: 4.972A pdb=" N ARG B4042 " --> pdb=" O GLY B4038 " (cutoff:3.500A) Processing helix chain 'B' and resid 4053 through 4072 removed outlier: 3.835A pdb=" N ASP B4070 " --> pdb=" O LEU B4066 " (cutoff:3.500A) Processing helix chain 'B' and resid 4089 through 4099 removed outlier: 3.771A pdb=" N SER B4099 " --> pdb=" O LYS B4095 " (cutoff:3.500A) Processing helix chain 'B' and resid 4107 through 4115 removed outlier: 4.220A pdb=" N LEU B4111 " --> pdb=" O GLU B4107 " (cutoff:3.500A) Processing helix chain 'B' and resid 4124 through 4129 Processing helix chain 'B' and resid 4134 through 4154 removed outlier: 4.005A pdb=" N ASP B4138 " --> pdb=" O GLU B4134 " (cutoff:3.500A) removed outlier: 3.867A pdb=" N ILE B4139 " --> pdb=" O PRO B4135 " (cutoff:3.500A) removed outlier: 4.720A pdb=" N VAL B4154 " --> pdb=" O LEU B4150 " (cutoff:3.500A) Processing helix chain 'B' and resid 4157 through 4168 removed outlier: 3.559A pdb=" N ARG B4161 " --> pdb=" O ASP B4157 " (cutoff:3.500A) removed outlier: 3.821A pdb=" N ASN B4162 " --> pdb=" O PRO B4158 " (cutoff:3.500A) removed outlier: 3.962A pdb=" N PHE B4163 " --> pdb=" O ARG B4159 " (cutoff:3.500A) Processing helix chain 'B' and resid 4169 through 4175 Processing helix chain 'B' and resid 4198 through 4207 removed outlier: 3.913A pdb=" N MET B4207 " --> pdb=" O ALA B4203 " (cutoff:3.500A) Processing helix chain 'B' and resid 4208 through 4224 Processing helix chain 'B' and resid 4229 through 4252 Processing helix chain 'B' and resid 4540 through 4559 removed outlier: 4.214A pdb=" N PHE B4559 " --> pdb=" O LEU B4555 " (cutoff:3.500A) Processing helix chain 'B' and resid 4560 through 4579 removed outlier: 4.381A pdb=" N PHE B4579 " --> pdb=" O PHE B4575 " (cutoff:3.500A) Processing helix chain 'B' and resid 4637 through 4683 Proline residue: B4641 - end of helix removed outlier: 4.064A pdb=" N TRP B4644 " --> pdb=" O GLU B4640 " (cutoff:3.500A) removed outlier: 4.194A pdb=" N VAL B4666 " --> pdb=" O ASN B4662 " (cutoff:3.500A) Proline residue: B4667 - end of helix Processing helix chain 'B' and resid 4696 through 4709 removed outlier: 4.028A pdb=" N GLN B4700 " --> pdb=" O ASP B4696 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N ARG B4703 " --> pdb=" O GLY B4699 " (cutoff:3.500A) removed outlier: 4.580A pdb=" N LEU B4704 " --> pdb=" O GLN B4700 " (cutoff:3.500A) removed outlier: 4.745A pdb=" N VAL B4705 " --> pdb=" O TRP B4701 " (cutoff:3.500A) removed outlier: 3.808A pdb=" N LEU B4706 " --> pdb=" O ASP B4702 " (cutoff:3.500A) removed outlier: 4.228A pdb=" N ASN B4707 " --> pdb=" O ARG B4703 " (cutoff:3.500A) removed outlier: 4.076A pdb=" N THR B4708 " --> pdb=" O LEU B4704 " (cutoff:3.500A) Proline residue: B4709 - end of helix Processing helix chain 'B' and resid 4719 through 4729 Processing helix chain 'B' and resid 4733 through 4742 removed outlier: 3.503A pdb=" N GLY B4742 " --> pdb=" O ALA B4738 " (cutoff:3.500A) Processing helix chain 'B' and resid 4745 through 4750 removed outlier: 3.756A pdb=" N ILE B4750 " --> pdb=" O ALA B4746 " (cutoff:3.500A) Processing helix chain 'B' and resid 4765 through 4771 removed outlier: 4.254A pdb=" N MET B4769 " --> pdb=" O LEU B4765 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N ILE B4771 " --> pdb=" O TRP B4767 " (cutoff:3.500A) Processing helix chain 'B' and resid 4772 through 4787 removed outlier: 5.774A pdb=" N ASN B4787 " --> pdb=" O ILE B4783 " (cutoff:3.500A) Processing helix chain 'B' and resid 4788 through 4805 removed outlier: 3.825A pdb=" N HIS B4803 " --> pdb=" O SER B4799 " (cutoff:3.500A) removed outlier: 4.335A pdb=" N TYR B4804 " --> pdb=" O LEU B4800 " (cutoff:3.500A) removed outlier: 5.342A pdb=" N ASN B4805 " --> pdb=" O LEU B4801 " (cutoff:3.500A) Processing helix chain 'B' and resid 4807 through 4820 removed outlier: 4.906A pdb=" N ALA B4811 " --> pdb=" O PHE B4807 " (cutoff:3.500A) removed outlier: 4.781A pdb=" N HIS B4812 " --> pdb=" O PHE B4808 " (cutoff:3.500A) removed outlier: 4.531A pdb=" N LEU B4813 " --> pdb=" O PHE B4809 " (cutoff:3.500A) removed outlier: 4.426A pdb=" N LEU B4814 " --> pdb=" O ALA B4810 " (cutoff:3.500A) removed outlier: 4.142A pdb=" N MET B4818 " --> pdb=" O LEU B4814 " (cutoff:3.500A) removed outlier: 4.992A pdb=" N GLY B4819 " --> pdb=" O ASP B4815 " (cutoff:3.500A) removed outlier: 4.133A pdb=" N VAL B4820 " --> pdb=" O ILE B4816 " (cutoff:3.500A) Processing helix chain 'B' and resid 4821 through 4832 removed outlier: 3.901A pdb=" N SER B4829 " --> pdb=" O THR B4825 " (cutoff:3.500A) removed outlier: 4.079A pdb=" N VAL B4830 " --> pdb=" O ILE B4826 " (cutoff:3.500A) Processing helix chain 'B' and resid 4833 through 4859 Processing helix chain 'B' and resid 4878 through 4893 removed outlier: 4.622A pdb=" N VAL B4891 " --> pdb=" O MET B4887 " (cutoff:3.500A) removed outlier: 4.578A pdb=" N ARG B4892 " --> pdb=" O TYR B4888 " (cutoff:3.500A) Processing helix chain 'B' and resid 4896 through 4901 removed outlier: 4.955A pdb=" N GLU B4900 " --> pdb=" O GLY B4896 " (cutoff:3.500A) Processing helix chain 'B' and resid 4909 through 4924 Processing helix chain 'B' and resid 4928 through 4957 removed outlier: 3.659A pdb=" N ILE B4932 " --> pdb=" O LEU B4928 " (cutoff:3.500A) Processing helix chain 'B' and resid 4964 through 4970 removed outlier: 3.928A pdb=" N PHE B4968 " --> pdb=" O GLY B4964 " (cutoff:3.500A) removed outlier: 4.049A pdb=" N THR B4970 " --> pdb=" O ASP B4966 " (cutoff:3.500A) Processing helix chain 'B' and resid 4973 through 4981 Processing helix chain 'B' and resid 4984 through 4999 removed outlier: 5.657A pdb=" N TYR B4988 " --> pdb=" O ASN B4984 " (cutoff:3.500A) removed outlier: 5.289A 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 5027 through 5033 Processing helix chain 'B' and resid 4685 through 4690 Processing helix chain 'C' and resid 61 through 66 removed outlier: 4.784A pdb=" N CYS C 65 " --> pdb=" O ASP C 61 " (cutoff:3.500A) Processing helix chain 'C' and resid 77 through 84 Processing helix chain 'C' and resid 251 through 256 removed outlier: 3.579A pdb=" N HIS C 255 " --> pdb=" O ALA C 251 " (cutoff:3.500A) removed outlier: 4.934A pdb=" N ALA C 256 " --> pdb=" O VAL C 252 " (cutoff:3.500A) No H-bonds generated for 'chain 'C' and resid 251 through 256' Processing helix chain 'C' and resid 308 through 313 removed outlier: 3.921A pdb=" N THR C 312 " --> pdb=" O HIS C 308 " (cutoff:3.500A) Processing helix chain 'C' and resid 395 through 422 removed outlier: 3.719A pdb=" N GLN C 399 " --> pdb=" O GLN C 395 " (cutoff:3.500A) Processing helix chain 'C' and resid 437 through 453 removed outlier: 3.510A pdb=" N VAL C 441 " --> pdb=" O PRO C 437 " (cutoff:3.500A) removed outlier: 3.621A pdb=" N PHE C 452 " --> pdb=" O LEU C 448 " (cutoff:3.500A) removed outlier: 3.931A pdb=" N GLU C 453 " --> pdb=" O ILE C 449 " (cutoff:3.500A) Processing helix chain 'C' and resid 460 through 482 removed outlier: 3.692A pdb=" N GLY C 482 " --> pdb=" O PHE C 478 " (cutoff:3.500A) Processing helix chain 'C' and resid 483 through 496 removed outlier: 3.530A pdb=" N LEU C 488 " --> pdb=" O LEU C 484 " (cutoff:3.500A) removed outlier: 3.849A pdb=" N ARG C 493 " --> pdb=" O ASN C 489 " (cutoff:3.500A) removed outlier: 3.638A pdb=" N LEU C 494 " --> pdb=" O CYS C 490 " (cutoff:3.500A) Processing helix chain 'C' and resid 499 through 507 removed outlier: 6.370A pdb=" N PHE C 503 " --> pdb=" O THR C 499 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ALA C 504 " --> pdb=" O ALA C 500 " (cutoff:3.500A) removed outlier: 4.243A pdb=" N GLU C 505 " --> pdb=" O ALA C 501 " (cutoff:3.500A) removed outlier: 3.723A pdb=" N TYR C 506 " --> pdb=" O HIS C 502 " (cutoff:3.500A) removed outlier: 4.521A pdb=" N ALA C 507 " --> pdb=" O PHE C 503 " (cutoff:3.500A) No H-bonds generated for 'chain 'C' and resid 499 through 507' Processing helix chain 'C' and resid 508 through 531 removed outlier: 4.563A pdb=" N ALA C 512 " --> pdb=" O GLY C 508 " (cutoff:3.500A) removed outlier: 7.242A pdb=" N GLU C 513 " --> pdb=" O GLU C 509 " (cutoff:3.500A) removed outlier: 4.530A pdb=" N SER C 514 " --> pdb=" O GLU C 510 " (cutoff:3.500A) removed outlier: 5.221A pdb=" N LYS C 516 " --> pdb=" O ALA C 512 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N GLU C 517 " --> pdb=" O GLU C 513 " (cutoff:3.500A) Processing helix chain 'C' and resid 533 through 541 removed outlier: 3.652A pdb=" N PHE C 540 " --> pdb=" O ASN C 536 " (cutoff:3.500A) removed outlier: 4.345A pdb=" N SER C 541 " --> pdb=" O CYS C 537 " (cutoff:3.500A) Processing helix chain 'C' and resid 543 through 551 removed outlier: 4.237A pdb=" N LYS C 550 " --> pdb=" O TRP C 546 " (cutoff:3.500A) removed outlier: 5.108A pdb=" N LEU C 551 " --> pdb=" O VAL C 547 " (cutoff:3.500A) Processing helix chain 'C' and resid 556 through 571 removed outlier: 4.378A pdb=" N ILE C 560 " --> pdb=" O ALA C 556 " (cutoff:3.500A) removed outlier: 6.403A pdb=" N LEU C 561 " --> pdb=" O SER C 557 " (cutoff:3.500A) Processing helix chain 'C' and resid 572 through 578 removed outlier: 4.039A pdb=" N ASN C 576 " --> pdb=" O PRO C 572 " (cutoff:3.500A) removed outlier: 4.293A pdb=" N ILE C 577 " --> pdb=" O GLU C 573 " (cutoff:3.500A) Processing helix chain 'C' and resid 579 through 593 removed outlier: 4.512A pdb=" N ILE C 583 " --> pdb=" O GLN C 579 " (cutoff:3.500A) Processing helix chain 'C' and resid 596 through 609 removed outlier: 3.666A pdb=" N LEU C 600 " --> pdb=" O ASN C 596 " (cutoff:3.500A) removed outlier: 3.895A pdb=" N CYS C 607 " --> pdb=" O LEU C 603 " (cutoff:3.500A) removed outlier: 5.005A pdb=" N VAL C 608 " --> pdb=" O CYS C 604 " (cutoff:3.500A) removed outlier: 4.898A pdb=" N CYS C 609 " --> pdb=" O SER C 605 " (cutoff:3.500A) Processing helix chain 'C' and resid 614 through 626 removed outlier: 3.582A pdb=" N GLN C 618 " --> pdb=" O VAL C 614 " (cutoff:3.500A) removed outlier: 4.344A pdb=" N LEU C 626 " --> pdb=" O THR C 622 " (cutoff:3.500A) Processing helix chain 'C' and resid 866 through 890 removed outlier: 3.677A pdb=" N ILE C 870 " --> pdb=" O HIS C 866 " (cutoff:3.500A) removed outlier: 4.670A pdb=" N GLY C 890 " --> pdb=" O ARG C 886 " (cutoff:3.500A) Processing helix chain 'C' and resid 914 through 933 removed outlier: 3.811A pdb=" N LEU C 933 " --> pdb=" O LEU C 929 " (cutoff:3.500A) Processing helix chain 'C' and resid 946 through 951 removed outlier: 5.688A pdb=" N LYS C 951 " --> pdb=" O GLU C 947 " (cutoff:3.500A) Processing helix chain 'C' and resid 956 through 961 removed outlier: 3.680A pdb=" N MET C 960 " --> pdb=" O PRO C 956 " (cutoff:3.500A) removed outlier: 4.898A pdb=" N MET C 961 " --> pdb=" O LYS C 957 " (cutoff:3.500A) No H-bonds generated for 'chain 'C' and resid 956 through 961' Processing helix chain 'C' and resid 978 through 1003 removed outlier: 3.995A pdb=" N THR C 982 " --> pdb=" O THR C 978 " (cutoff:3.500A) Processing helix chain 'C' and resid 1028 through 1039 Processing helix chain 'C' and resid 1041 through 1050 Processing helix chain 'C' and resid 1574 through 1580 removed outlier: 3.691A pdb=" N ALA C1578 " --> pdb=" O PRO C1574 " (cutoff:3.500A) removed outlier: 5.061A pdb=" N MET C1579 " --> pdb=" O LEU C1575 " (cutoff:3.500A) removed outlier: 4.961A pdb=" N PHE C1580 " --> pdb=" O SER C1576 " (cutoff:3.500A) No H-bonds generated for 'chain 'C' and resid 1574 through 1580' Processing helix chain 'C' and resid 1649 through 1657 removed outlier: 4.211A pdb=" N LEU C1653 " --> pdb=" O ASP C1649 " (cutoff:3.500A) removed outlier: 4.662A pdb=" N SER C1654 " --> pdb=" O ILE C1650 " (cutoff:3.500A) removed outlier: 4.557A pdb=" N GLU C1655 " --> pdb=" O LEU C1651 " (cutoff:3.500A) Processing helix chain 'C' and resid 1658 through 1675 Processing helix chain 'C' and resid 1678 through 1690 removed outlier: 4.138A pdb=" N ASP C1690 " --> pdb=" O CYS C1686 " (cutoff:3.500A) Processing helix chain 'C' and resid 1691 through 1701 removed outlier: 4.322A pdb=" N GLU C1699 " --> pdb=" O LEU C1695 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N ASP C1700 " --> pdb=" O HIS C1696 " (cutoff:3.500A) removed outlier: 5.452A pdb=" N ALA C1701 " --> pdb=" O ALA C1697 " (cutoff:3.500A) Processing helix chain 'C' and resid 1704 through 1719 removed outlier: 6.650A pdb=" N ARG C1708 " --> pdb=" O PRO C1704 " (cutoff:3.500A) removed outlier: 3.948A pdb=" N HIS C1719 " --> pdb=" O LEU C1715 " (cutoff:3.500A) Processing helix chain 'C' and resid 1720 through 1732 removed outlier: 4.317A pdb=" N SER C1732 " --> pdb=" O ARG C1728 " (cutoff:3.500A) Processing helix chain 'C' and resid 1739 through 1745 removed outlier: 4.305A pdb=" N ILE C1745 " --> pdb=" O GLU C1741 " (cutoff:3.500A) Processing helix chain 'C' and resid 1803 through 1825 removed outlier: 4.121A pdb=" N LEU C1807 " --> pdb=" O PRO C1803 " (cutoff:3.500A) Processing helix chain 'C' and resid 1833 through 1852 Proline residue: C1840 - end of helix Processing helix chain 'C' and resid 1855 through 1868 removed outlier: 4.699A pdb=" N GLN C1861 " --> pdb=" O GLU C1857 " (cutoff:3.500A) removed outlier: 4.054A pdb=" N ILE C1862 " --> pdb=" O ASP C1858 " (cutoff:3.500A) removed outlier: 5.926A pdb=" N LYS C1864 " --> pdb=" O LYS C1860 " (cutoff:3.500A) Proline residue: C1868 - end of helix Processing helix chain 'C' and resid 1925 through 1930 removed outlier: 5.739A pdb=" N LYS C1930 " --> pdb=" O LEU C1926 " (cutoff:3.500A) Processing helix chain 'C' and resid 1933 through 1984 removed outlier: 7.047A pdb=" N LEU C1937 " --> pdb=" O GLU C1933 " (cutoff:3.500A) removed outlier: 5.040A pdb=" N GLN C1938 " --> pdb=" O SER C1934 " (cutoff:3.500A) removed outlier: 4.856A pdb=" N LEU C1980 " --> pdb=" O ARG C1976 " (cutoff:3.500A) removed outlier: 5.135A pdb=" N MET C1981 " --> pdb=" O TYR C1977 " (cutoff:3.500A) removed outlier: 4.754A pdb=" N ARG C1982 " --> pdb=" O ALA C1978 " (cutoff:3.500A) removed outlier: 6.012A pdb=" N ALA C1983 " --> pdb=" O LEU C1979 " (cutoff:3.500A) removed outlier: 4.898A pdb=" N PHE C1984 " --> pdb=" O LEU C1980 " (cutoff:3.500A) Processing helix chain 'C' and resid 1990 through 1998 Processing helix chain 'C' and resid 2001 through 2011 Processing helix chain 'C' and resid 2024 through 2043 removed outlier: 3.897A pdb=" N ARG C2028 " --> pdb=" O PRO C2024 " (cutoff:3.500A) removed outlier: 4.351A pdb=" N GLY C2043 " --> pdb=" O LEU C2039 " (cutoff:3.500A) Processing helix chain 'C' and resid 2093 through 2109 removed outlier: 4.003A pdb=" N ASP C2109 " --> pdb=" O TRP C2105 " (cutoff:3.500A) Processing helix chain 'C' and resid 2113 through 2130 removed outlier: 3.524A pdb=" N GLY C2130 " --> pdb=" O ARG C2126 " (cutoff:3.500A) Processing helix chain 'C' and resid 2131 through 2142 Proline residue: C2139 - end of helix removed outlier: 5.459A pdb=" N TYR C2142 " --> pdb=" O LEU C2138 " (cutoff:3.500A) Processing helix chain 'C' and resid 2148 through 2169 removed outlier: 3.625A pdb=" N THR C2152 " --> pdb=" O SER C2148 " (cutoff:3.500A) removed outlier: 4.354A pdb=" N ILE C2167 " --> pdb=" O ARG C2163 " (cutoff:3.500A) removed outlier: 4.221A pdb=" N VAL C2168 " --> pdb=" O SER C2164 " (cutoff:3.500A) removed outlier: 5.672A pdb=" N GLN C2169 " --> pdb=" O LEU C2165 " (cutoff:3.500A) Processing helix chain 'C' and resid 2171 through 2189 removed outlier: 3.637A pdb=" N ASN C2188 " --> pdb=" O ASN C2184 " (cutoff:3.500A) removed outlier: 5.620A pdb=" N LYS C2189 " --> pdb=" O ILE C2185 " (cutoff:3.500A) Processing helix chain 'C' and resid 2194 through 2202 removed outlier: 4.102A pdb=" N MET C2198 " --> pdb=" O HIS C2194 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N GLY C2202 " --> pdb=" O MET C2198 " (cutoff:3.500A) Processing helix chain 'C' and resid 2203 through 2216 Processing helix chain 'C' and resid 2218 through 2226 removed outlier: 5.125A pdb=" N PHE C2225 " --> pdb=" O LYS C2221 " (cutoff:3.500A) Proline residue: C2226 - end of helix Processing helix chain 'C' and resid 2227 through 2244 removed outlier: 6.480A pdb=" N SER C2231 " --> pdb=" O LYS C2227 " (cutoff:3.500A) removed outlier: 4.340A pdb=" N SER C2243 " --> pdb=" O PHE C2239 " (cutoff:3.500A) removed outlier: 5.546A pdb=" N ARG C2244 " --> pdb=" O CYS C2240 " (cutoff:3.500A) Processing helix chain 'C' and resid 2245 through 2254 removed outlier: 4.384A pdb=" N SER C2249 " --> pdb=" O GLN C2245 " (cutoff:3.500A) removed outlier: 4.574A pdb=" N HIS C2253 " --> pdb=" O SER C2249 " (cutoff:3.500A) removed outlier: 4.359A pdb=" N LEU C2254 " --> pdb=" O MET C2250 " (cutoff:3.500A) Processing helix chain 'C' and resid 2255 through 2264 removed outlier: 3.660A pdb=" N GLY C2262 " --> pdb=" O LEU C2258 " (cutoff:3.500A) removed outlier: 4.856A pdb=" N ILE C2263 " --> pdb=" O GLU C2259 " (cutoff:3.500A) Processing helix chain 'C' and resid 2271 through 2281 removed outlier: 3.665A pdb=" N VAL C2280 " --> pdb=" O ALA C2276 " (cutoff:3.500A) Processing helix chain 'C' and resid 2283 through 2290 removed outlier: 3.768A pdb=" N ALA C2287 " --> pdb=" O ASN C2283 " (cutoff:3.500A) removed outlier: 5.083A pdb=" N LEU C2288 " --> pdb=" O ASN C2284 " (cutoff:3.500A) removed outlier: 6.648A pdb=" N ALA C2289 " --> pdb=" O GLU C2285 " (cutoff:3.500A) Processing helix chain 'C' and resid 2293 through 2309 removed outlier: 5.125A pdb=" N GLN C2308 " --> pdb=" O GLY C2304 " (cutoff:3.500A) removed outlier: 5.995A pdb=" N SER C2309 " --> pdb=" O CYS C2305 " (cutoff:3.500A) Processing helix chain 'C' and resid 2310 through 2317 removed outlier: 3.732A pdb=" N LEU C2314 " --> pdb=" O CYS C2310 " (cutoff:3.500A) removed outlier: 4.609A pdb=" N LYS C2316 " --> pdb=" O MET C2312 " (cutoff:3.500A) removed outlier: 4.687A pdb=" N GLY C2317 " --> pdb=" O LEU C2313 " (cutoff:3.500A) Processing helix chain 'C' and resid 2324 through 2341 removed outlier: 5.025A pdb=" N GLY C2328 " --> pdb=" O ASN C2324 " (cutoff:3.500A) removed outlier: 3.743A pdb=" N GLU C2329 " --> pdb=" O PRO C2325 " (cutoff:3.500A) removed outlier: 4.844A pdb=" N ARG C2330 " --> pdb=" O CYS C2326 " (cutoff:3.500A) removed outlier: 7.022A pdb=" N TYR C2331 " --> pdb=" O GLY C2327 " (cutoff:3.500A) removed outlier: 5.013A pdb=" N VAL C2341 " --> pdb=" O PHE C2337 " (cutoff:3.500A) Processing helix chain 'C' and resid 2346 through 2361 removed outlier: 4.039A pdb=" N LYS C2360 " --> pdb=" O LEU C2356 " (cutoff:3.500A) Proline residue: C2361 - end of helix Processing helix chain 'C' and resid 2365 through 2370 Processing helix chain 'C' and resid 2375 through 2390 removed outlier: 4.724A pdb=" N ALA C2379 " --> pdb=" O GLY C2375 " (cutoff:3.500A) Proline residue: C2390 - end of helix Processing helix chain 'C' and resid 2417 through 2437 Processing helix chain 'C' and resid 2441 through 2447 removed outlier: 3.736A pdb=" N ALA C2445 " --> pdb=" O HIS C2441 " (cutoff:3.500A) removed outlier: 4.404A pdb=" N GLY C2446 " --> pdb=" O LEU C2442 " (cutoff:3.500A) Processing helix chain 'C' and resid 2448 through 2462 removed outlier: 3.806A pdb=" N VAL C2461 " --> pdb=" O LEU C2457 " (cutoff:3.500A) Proline residue: C2462 - end of helix Processing helix chain 'C' and resid 2463 through 2473 removed outlier: 7.016A pdb=" N VAL C2467 " --> pdb=" O LEU C2463 " (cutoff:3.500A) Proline residue: C2473 - end of helix Processing helix chain 'C' and resid 3645 through 3662 removed outlier: 4.080A pdb=" N ALA C3649 " --> pdb=" O PRO C3645 " (cutoff:3.500A) removed outlier: 4.390A pdb=" N ILE C3662 " --> pdb=" O LYS C3658 " (cutoff:3.500A) Processing helix chain 'C' and resid 3668 through 3681 removed outlier: 5.899A pdb=" N ARG C3672 " --> pdb=" O SER C3668 " (cutoff:3.500A) removed outlier: 4.237A pdb=" N ALA C3680 " --> pdb=" O ASP C3676 " (cutoff:3.500A) removed outlier: 4.282A pdb=" N GLY C3681 " --> pdb=" O LEU C3677 " (cutoff:3.500A) Processing helix chain 'C' and resid 3696 through 3711 Processing helix chain 'C' and resid 3719 through 3740 removed outlier: 5.291A pdb=" N GLU C3736 " --> pdb=" O SER C3732 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N GLU C3737 " --> pdb=" O CYS C3733 " (cutoff:3.500A) Processing helix chain 'C' and resid 3752 through 3772 removed outlier: 3.674A pdb=" N LEU C3770 " --> pdb=" O GLN C3766 " (cutoff:3.500A) removed outlier: 3.713A pdb=" N THR C3772 " --> pdb=" O SER C3768 " (cutoff:3.500A) Processing helix chain 'C' and resid 3774 through 3787 removed outlier: 3.699A pdb=" N CYS C3786 " --> pdb=" O MET C3782 " (cutoff:3.500A) removed outlier: 5.260A pdb=" N LYS C3787 " --> pdb=" O ILE C3783 " (cutoff:3.500A) Processing helix chain 'C' and resid 3791 through 3806 Processing helix chain 'C' and resid 3809 through 3824 Processing helix chain 'C' and resid 3826 through 3839 removed outlier: 6.886A pdb=" N GLN C3830 " --> pdb=" O VAL C3826 " (cutoff:3.500A) removed outlier: 3.746A pdb=" N CYS C3839 " --> pdb=" O LEU C3835 " (cutoff:3.500A) Processing helix chain 'C' and resid 3843 through 3856 removed outlier: 3.542A pdb=" N ALA C3853 " --> pdb=" O ARG C3849 " (cutoff:3.500A) removed outlier: 4.316A pdb=" N GLU C3854 " --> pdb=" O GLN C3850 " (cutoff:3.500A) Processing helix chain 'C' and resid 3864 through 3871 removed outlier: 3.930A pdb=" N ARG C3868 " --> pdb=" O THR C3864 " (cutoff:3.500A) removed outlier: 5.657A pdb=" N GLN C3869 " --> pdb=" O VAL C3865 " (cutoff:3.500A) removed outlier: 8.591A pdb=" N ASN C3870 " --> pdb=" O ILE C3866 " (cutoff:3.500A) removed outlier: 5.086A pdb=" N GLY C3871 " --> pdb=" O ASN C3867 " (cutoff:3.500A) No H-bonds generated for 'chain 'C' and resid 3864 through 3871' Processing helix chain 'C' and resid 3877 through 3893 Processing helix chain 'C' and resid 3896 through 3905 removed outlier: 3.774A pdb=" N GLN C3900 " --> pdb=" O ASN C3896 " (cutoff:3.500A) removed outlier: 4.086A pdb=" N ARG C3904 " --> pdb=" O GLN C3900 " (cutoff:3.500A) Processing helix chain 'C' and resid 3914 through 3939 removed outlier: 3.655A pdb=" N CYS C3918 " --> pdb=" O ASN C3914 " (cutoff:3.500A) removed outlier: 4.597A pdb=" N GLY C3939 " --> pdb=" O TRP C3935 " (cutoff:3.500A) Processing helix chain 'C' and resid 3944 through 3970 Processing helix chain 'C' and resid 3973 through 3983 Processing helix chain 'C' and resid 3984 through 4004 removed outlier: 3.628A pdb=" N ALA C3988 " --> pdb=" O ARG C3984 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N GLY C3991 " --> pdb=" O ASP C3987 " (cutoff:3.500A) Processing helix chain 'C' and resid 4009 through 4032 removed outlier: 3.624A pdb=" N LEU C4031 " --> pdb=" O LEU C4027 " (cutoff:3.500A) removed outlier: 4.038A pdb=" N GLU C4032 " --> pdb=" O LEU C4028 " (cutoff:3.500A) Processing helix chain 'C' and resid 4038 through 4052 removed outlier: 4.970A pdb=" N ARG C4042 " --> pdb=" O GLY C4038 " (cutoff:3.500A) Processing helix chain 'C' and resid 4053 through 4072 removed outlier: 3.838A pdb=" N ASP C4070 " --> pdb=" O LEU C4066 " (cutoff:3.500A) Processing helix chain 'C' and resid 4089 through 4099 removed outlier: 3.772A pdb=" N SER C4099 " --> pdb=" O LYS C4095 " (cutoff:3.500A) Processing helix chain 'C' and resid 4107 through 4115 removed outlier: 4.220A pdb=" N LEU C4111 " --> pdb=" O GLU C4107 " (cutoff:3.500A) Processing helix chain 'C' and resid 4124 through 4129 Processing helix chain 'C' and resid 4134 through 4154 removed outlier: 4.005A pdb=" N ASP C4138 " --> pdb=" O GLU C4134 " (cutoff:3.500A) removed outlier: 3.867A pdb=" N ILE C4139 " --> pdb=" O PRO C4135 " (cutoff:3.500A) removed outlier: 4.721A pdb=" N VAL C4154 " --> pdb=" O LEU C4150 " (cutoff:3.500A) Processing helix chain 'C' and resid 4157 through 4168 removed outlier: 3.558A pdb=" N ARG C4161 " --> pdb=" O ASP C4157 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N ASN C4162 " --> pdb=" O PRO C4158 " (cutoff:3.500A) removed outlier: 3.963A pdb=" N PHE C4163 " --> pdb=" O ARG C4159 " (cutoff:3.500A) Processing helix chain 'C' and resid 4169 through 4175 Processing helix chain 'C' and resid 4198 through 4207 removed outlier: 3.913A pdb=" N MET C4207 " --> pdb=" O ALA C4203 " (cutoff:3.500A) Processing helix chain 'C' and resid 4208 through 4224 Processing helix chain 'C' and resid 4229 through 4252 Processing helix chain 'C' and resid 4540 through 4559 removed outlier: 4.213A pdb=" N PHE C4559 " --> pdb=" O LEU C4555 " (cutoff:3.500A) Processing helix chain 'C' and resid 4560 through 4579 removed outlier: 4.381A pdb=" N PHE C4579 " --> pdb=" O PHE C4575 " (cutoff:3.500A) Processing helix chain 'C' and resid 4637 through 4683 Proline residue: C4641 - end of helix removed outlier: 4.259A pdb=" N VAL C4666 " --> pdb=" O ASN C4662 " (cutoff:3.500A) Proline residue: C4667 - end of helix Processing helix chain 'C' and resid 4696 through 4709 removed outlier: 3.781A pdb=" N ARG C4703 " --> pdb=" O GLY C4699 " (cutoff:3.500A) removed outlier: 4.580A pdb=" N LEU C4704 " --> pdb=" O GLN C4700 " (cutoff:3.500A) removed outlier: 4.744A pdb=" N VAL C4705 " --> pdb=" O TRP C4701 " (cutoff:3.500A) removed outlier: 3.807A pdb=" N LEU C4706 " --> pdb=" O ASP C4702 " (cutoff:3.500A) removed outlier: 4.228A pdb=" N ASN C4707 " --> pdb=" O ARG C4703 " (cutoff:3.500A) removed outlier: 4.076A pdb=" N THR C4708 " --> pdb=" O LEU C4704 " (cutoff:3.500A) Proline residue: C4709 - end of helix Processing helix chain 'C' and resid 4719 through 4729 Processing helix chain 'C' and resid 4733 through 4742 removed outlier: 3.504A pdb=" N GLY C4742 " --> pdb=" O ALA C4738 " (cutoff:3.500A) Processing helix chain 'C' and resid 4745 through 4750 removed outlier: 3.756A pdb=" N ILE C4750 " --> pdb=" O ALA C4746 " (cutoff:3.500A) Processing helix chain 'C' and resid 4765 through 4771 removed outlier: 4.253A pdb=" N MET C4769 " --> pdb=" O LEU C4765 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N ILE C4771 " --> pdb=" O TRP C4767 " (cutoff:3.500A) Processing helix chain 'C' and resid 4772 through 4787 removed outlier: 5.775A pdb=" N ASN C4787 " --> pdb=" O ILE C4783 " (cutoff:3.500A) Processing helix chain 'C' and resid 4788 through 4805 removed outlier: 3.825A pdb=" N HIS C4803 " --> pdb=" O SER C4799 " (cutoff:3.500A) removed outlier: 4.335A pdb=" N TYR C4804 " --> pdb=" O LEU C4800 " (cutoff:3.500A) removed outlier: 5.342A pdb=" N ASN C4805 " --> pdb=" O LEU C4801 " (cutoff:3.500A) Processing helix chain 'C' and resid 4807 through 4820 removed outlier: 4.906A pdb=" N ALA C4811 " --> pdb=" O PHE C4807 " (cutoff:3.500A) removed outlier: 4.782A pdb=" N HIS C4812 " --> pdb=" O PHE C4808 " (cutoff:3.500A) removed outlier: 4.530A pdb=" N LEU C4813 " --> pdb=" O PHE C4809 " (cutoff:3.500A) removed outlier: 4.426A pdb=" N LEU C4814 " --> pdb=" O ALA C4810 " (cutoff:3.500A) removed outlier: 4.142A pdb=" N MET C4818 " --> pdb=" O LEU C4814 " (cutoff:3.500A) removed outlier: 4.991A pdb=" N GLY C4819 " --> pdb=" O ASP C4815 " (cutoff:3.500A) removed outlier: 4.133A pdb=" N VAL C4820 " --> pdb=" O ILE C4816 " (cutoff:3.500A) Processing helix chain 'C' and resid 4821 through 4832 removed outlier: 3.900A pdb=" N SER C4829 " --> pdb=" O THR C4825 " (cutoff:3.500A) removed outlier: 4.079A pdb=" N VAL C4830 " --> pdb=" O ILE C4826 " (cutoff:3.500A) Processing helix chain 'C' and resid 4833 through 4859 Processing helix chain 'C' and resid 4878 through 4893 removed outlier: 4.621A pdb=" N VAL C4891 " --> pdb=" O MET C4887 " (cutoff:3.500A) removed outlier: 4.578A pdb=" N ARG C4892 " --> pdb=" O TYR C4888 " (cutoff:3.500A) Processing helix chain 'C' and resid 4896 through 4901 removed outlier: 4.954A pdb=" N GLU C4900 " --> pdb=" O GLY C4896 " (cutoff:3.500A) Processing helix chain 'C' and resid 4909 through 4924 Processing helix chain 'C' and resid 4928 through 4957 removed outlier: 3.659A pdb=" N ILE C4932 " --> pdb=" O LEU C4928 " (cutoff:3.500A) Processing helix chain 'C' and resid 4964 through 4970 removed outlier: 3.928A pdb=" N PHE C4968 " --> pdb=" O GLY C4964 " (cutoff:3.500A) removed outlier: 4.048A pdb=" N THR C4970 " --> pdb=" O ASP C4966 " (cutoff:3.500A) Processing helix chain 'C' and resid 4973 through 4981 Processing helix chain 'C' and resid 4984 through 4999 removed outlier: 5.697A pdb=" N TYR C4988 " --> pdb=" O ASN C4984 " (cutoff:3.500A) removed outlier: 5.288A 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 5027 through 5033 Processing helix chain 'C' and resid 4685 through 4690 Processing helix chain 'D' and resid 61 through 66 removed outlier: 4.785A pdb=" N CYS D 65 " --> pdb=" O ASP D 61 " (cutoff:3.500A) Processing helix chain 'D' and resid 77 through 84 Processing helix chain 'D' and resid 251 through 256 removed outlier: 3.579A pdb=" N HIS D 255 " --> pdb=" O ALA D 251 " (cutoff:3.500A) removed outlier: 4.933A pdb=" N ALA D 256 " --> pdb=" O VAL D 252 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 251 through 256' Processing helix chain 'D' and resid 308 through 313 removed outlier: 3.920A pdb=" N THR D 312 " --> pdb=" O HIS D 308 " (cutoff:3.500A) Processing helix chain 'D' and resid 395 through 422 removed outlier: 3.676A pdb=" N GLN D 399 " --> pdb=" O GLN D 395 " (cutoff:3.500A) Processing helix chain 'D' and resid 437 through 453 removed outlier: 3.510A pdb=" N VAL D 441 " --> pdb=" O PRO D 437 " (cutoff:3.500A) removed outlier: 3.621A pdb=" N PHE D 452 " --> pdb=" O LEU D 448 " (cutoff:3.500A) removed outlier: 3.930A pdb=" N GLU D 453 " --> pdb=" O ILE D 449 " (cutoff:3.500A) Processing helix chain 'D' and resid 460 through 482 removed outlier: 3.692A pdb=" N GLY D 482 " --> pdb=" O PHE D 478 " (cutoff:3.500A) Processing helix chain 'D' and resid 483 through 496 removed outlier: 3.530A pdb=" N LEU D 488 " --> pdb=" O LEU D 484 " (cutoff:3.500A) removed outlier: 3.848A pdb=" N ARG D 493 " --> pdb=" O ASN D 489 " (cutoff:3.500A) removed outlier: 3.637A pdb=" N LEU D 494 " --> pdb=" O CYS D 490 " (cutoff:3.500A) Processing helix chain 'D' and resid 499 through 507 removed outlier: 6.369A pdb=" N PHE D 503 " --> pdb=" O THR D 499 " (cutoff:3.500A) removed outlier: 3.726A pdb=" N ALA D 504 " --> pdb=" O ALA D 500 " (cutoff:3.500A) removed outlier: 4.242A pdb=" N GLU D 505 " --> pdb=" O ALA D 501 " (cutoff:3.500A) removed outlier: 3.723A pdb=" N TYR D 506 " --> pdb=" O HIS D 502 " (cutoff:3.500A) removed outlier: 4.521A pdb=" N ALA D 507 " --> pdb=" O PHE D 503 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 499 through 507' Processing helix chain 'D' and resid 508 through 531 removed outlier: 4.562A pdb=" N ALA D 512 " --> pdb=" O GLY D 508 " (cutoff:3.500A) removed outlier: 7.242A pdb=" N GLU D 513 " --> pdb=" O GLU D 509 " (cutoff:3.500A) removed outlier: 4.530A pdb=" N SER D 514 " --> pdb=" O GLU D 510 " (cutoff:3.500A) removed outlier: 5.221A pdb=" N LYS D 516 " --> pdb=" O ALA D 512 " (cutoff:3.500A) removed outlier: 4.985A pdb=" N GLU D 517 " --> pdb=" O GLU D 513 " (cutoff:3.500A) Processing helix chain 'D' and resid 533 through 541 removed outlier: 3.652A pdb=" N PHE D 540 " --> pdb=" O ASN D 536 " (cutoff:3.500A) removed outlier: 4.344A pdb=" N SER D 541 " --> pdb=" O CYS D 537 " (cutoff:3.500A) Processing helix chain 'D' and resid 543 through 551 removed outlier: 4.236A pdb=" N LYS D 550 " --> pdb=" O TRP D 546 " (cutoff:3.500A) removed outlier: 5.107A pdb=" N LEU D 551 " --> pdb=" O VAL D 547 " (cutoff:3.500A) Processing helix chain 'D' and resid 556 through 571 removed outlier: 4.379A pdb=" N ILE D 560 " --> pdb=" O ALA D 556 " (cutoff:3.500A) removed outlier: 6.403A pdb=" N LEU D 561 " --> pdb=" O SER D 557 " (cutoff:3.500A) Processing helix chain 'D' and resid 572 through 578 removed outlier: 4.039A pdb=" N ASN D 576 " --> pdb=" O PRO D 572 " (cutoff:3.500A) removed outlier: 4.292A pdb=" N ILE D 577 " --> pdb=" O GLU D 573 " (cutoff:3.500A) Processing helix chain 'D' and resid 579 through 593 removed outlier: 4.513A pdb=" N ILE D 583 " --> pdb=" O GLN D 579 " (cutoff:3.500A) Processing helix chain 'D' and resid 596 through 609 removed outlier: 3.666A pdb=" N LEU D 600 " --> pdb=" O ASN D 596 " (cutoff:3.500A) removed outlier: 3.895A pdb=" N CYS D 607 " --> pdb=" O LEU D 603 " (cutoff:3.500A) removed outlier: 5.004A pdb=" N VAL D 608 " --> pdb=" O CYS D 604 " (cutoff:3.500A) removed outlier: 4.898A pdb=" N CYS D 609 " --> pdb=" O SER D 605 " (cutoff:3.500A) Processing helix chain 'D' and resid 614 through 626 removed outlier: 3.582A pdb=" N GLN D 618 " --> pdb=" O VAL D 614 " (cutoff:3.500A) removed outlier: 4.344A pdb=" N LEU D 626 " --> pdb=" O THR D 622 " (cutoff:3.500A) Processing helix chain 'D' and resid 866 through 890 removed outlier: 3.677A pdb=" N ILE D 870 " --> pdb=" O HIS D 866 " (cutoff:3.500A) removed outlier: 4.670A pdb=" N GLY D 890 " --> pdb=" O ARG D 886 " (cutoff:3.500A) Processing helix chain 'D' and resid 914 through 933 removed outlier: 3.811A pdb=" N LEU D 933 " --> pdb=" O LEU D 929 " (cutoff:3.500A) Processing helix chain 'D' and resid 946 through 951 removed outlier: 5.689A pdb=" N LYS D 951 " --> pdb=" O GLU D 947 " (cutoff:3.500A) Processing helix chain 'D' and resid 956 through 961 removed outlier: 3.679A pdb=" N MET D 960 " --> pdb=" O PRO D 956 " (cutoff:3.500A) removed outlier: 4.898A pdb=" N MET D 961 " --> pdb=" O LYS D 957 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 956 through 961' Processing helix chain 'D' and resid 978 through 1003 removed outlier: 3.995A pdb=" N THR D 982 " --> pdb=" O THR D 978 " (cutoff:3.500A) Processing helix chain 'D' and resid 1028 through 1039 Processing helix chain 'D' and resid 1041 through 1050 Processing helix chain 'D' and resid 1574 through 1580 removed outlier: 3.691A pdb=" N ALA D1578 " --> pdb=" O PRO D1574 " (cutoff:3.500A) removed outlier: 5.060A pdb=" N MET D1579 " --> pdb=" O LEU D1575 " (cutoff:3.500A) removed outlier: 4.961A pdb=" N PHE D1580 " --> pdb=" O SER D1576 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 1574 through 1580' Processing helix chain 'D' and resid 1649 through 1657 removed outlier: 4.211A pdb=" N LEU D1653 " --> pdb=" O ASP D1649 " (cutoff:3.500A) removed outlier: 4.662A pdb=" N SER D1654 " --> pdb=" O ILE D1650 " (cutoff:3.500A) removed outlier: 4.557A pdb=" N GLU D1655 " --> pdb=" O LEU D1651 " (cutoff:3.500A) Processing helix chain 'D' and resid 1658 through 1675 Processing helix chain 'D' and resid 1678 through 1690 removed outlier: 4.138A pdb=" N ASP D1690 " --> pdb=" O CYS D1686 " (cutoff:3.500A) Processing helix chain 'D' and resid 1691 through 1701 removed outlier: 4.322A pdb=" N GLU D1699 " --> pdb=" O LEU D1695 " (cutoff:3.500A) removed outlier: 3.852A pdb=" N ASP D1700 " --> pdb=" O HIS D1696 " (cutoff:3.500A) removed outlier: 5.452A pdb=" N ALA D1701 " --> pdb=" O ALA D1697 " (cutoff:3.500A) Processing helix chain 'D' and resid 1704 through 1719 removed outlier: 6.649A pdb=" N ARG D1708 " --> pdb=" O PRO D1704 " (cutoff:3.500A) removed outlier: 3.947A pdb=" N HIS D1719 " --> pdb=" O LEU D1715 " (cutoff:3.500A) Processing helix chain 'D' and resid 1720 through 1732 removed outlier: 4.318A pdb=" N SER D1732 " --> pdb=" O ARG D1728 " (cutoff:3.500A) Processing helix chain 'D' and resid 1739 through 1745 removed outlier: 4.304A pdb=" N ILE D1745 " --> pdb=" O GLU D1741 " (cutoff:3.500A) Processing helix chain 'D' and resid 1803 through 1825 removed outlier: 4.121A pdb=" N LEU D1807 " --> pdb=" O PRO D1803 " (cutoff:3.500A) removed outlier: 3.501A pdb=" N LEU D1812 " --> pdb=" O ARG D1808 " (cutoff:3.500A) Processing helix chain 'D' and resid 1833 through 1852 Proline residue: D1840 - end of helix Processing helix chain 'D' and resid 1855 through 1868 removed outlier: 4.699A pdb=" N GLN D1861 " --> pdb=" O GLU D1857 " (cutoff:3.500A) removed outlier: 4.054A pdb=" N ILE D1862 " --> pdb=" O ASP D1858 " (cutoff:3.500A) removed outlier: 5.927A pdb=" N LYS D1864 " --> pdb=" O LYS D1860 " (cutoff:3.500A) Proline residue: D1868 - end of helix Processing helix chain 'D' and resid 1925 through 1930 removed outlier: 5.740A pdb=" N LYS D1930 " --> pdb=" O LEU D1926 " (cutoff:3.500A) Processing helix chain 'D' and resid 1933 through 1984 removed outlier: 7.047A pdb=" N LEU D1937 " --> pdb=" O GLU D1933 " (cutoff:3.500A) removed outlier: 5.040A pdb=" N GLN D1938 " --> pdb=" O SER D1934 " (cutoff:3.500A) removed outlier: 4.882A pdb=" N LEU D1980 " --> pdb=" O ARG D1976 " (cutoff:3.500A) removed outlier: 5.109A pdb=" N MET D1981 " --> pdb=" O TYR D1977 " (cutoff:3.500A) removed outlier: 4.675A pdb=" N ARG D1982 " --> pdb=" O ALA D1978 " (cutoff:3.500A) removed outlier: 5.834A pdb=" N ALA D1983 " --> pdb=" O LEU D1979 " (cutoff:3.500A) removed outlier: 4.930A pdb=" N PHE D1984 " --> pdb=" O LEU D1980 " (cutoff:3.500A) Processing helix chain 'D' and resid 1990 through 1998 Processing helix chain 'D' and resid 2001 through 2011 Processing helix chain 'D' and resid 2024 through 2043 removed outlier: 3.897A pdb=" N ARG D2028 " --> pdb=" O PRO D2024 " (cutoff:3.500A) removed outlier: 4.431A pdb=" N GLY D2043 " --> pdb=" O LEU D2039 " (cutoff:3.500A) Processing helix chain 'D' and resid 2093 through 2109 removed outlier: 4.003A pdb=" N ASP D2109 " --> pdb=" O TRP D2105 " (cutoff:3.500A) Processing helix chain 'D' and resid 2113 through 2130 removed outlier: 3.523A pdb=" N GLY D2130 " --> pdb=" O ARG D2126 " (cutoff:3.500A) Processing helix chain 'D' and resid 2131 through 2142 Proline residue: D2139 - end of helix removed outlier: 5.459A pdb=" N TYR D2142 " --> pdb=" O LEU D2138 " (cutoff:3.500A) Processing helix chain 'D' and resid 2148 through 2169 removed outlier: 3.625A pdb=" N THR D2152 " --> pdb=" O SER D2148 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N ILE D2167 " --> pdb=" O ARG D2163 " (cutoff:3.500A) removed outlier: 4.221A pdb=" N VAL D2168 " --> pdb=" O SER D2164 " (cutoff:3.500A) removed outlier: 5.672A pdb=" N GLN D2169 " --> pdb=" O LEU D2165 " (cutoff:3.500A) Processing helix chain 'D' and resid 2171 through 2189 removed outlier: 3.637A pdb=" N ASN D2188 " --> pdb=" O ASN D2184 " (cutoff:3.500A) removed outlier: 5.620A pdb=" N LYS D2189 " --> pdb=" O ILE D2185 " (cutoff:3.500A) Processing helix chain 'D' and resid 2194 through 2202 removed outlier: 4.103A pdb=" N MET D2198 " --> pdb=" O HIS D2194 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N GLY D2202 " --> pdb=" O MET D2198 " (cutoff:3.500A) Processing helix chain 'D' and resid 2203 through 2216 Processing helix chain 'D' and resid 2218 through 2226 removed outlier: 5.126A pdb=" N PHE D2225 " --> pdb=" O LYS D2221 " (cutoff:3.500A) Proline residue: D2226 - end of helix Processing helix chain 'D' and resid 2227 through 2244 removed outlier: 6.481A pdb=" N SER D2231 " --> pdb=" O LYS D2227 " (cutoff:3.500A) removed outlier: 4.340A pdb=" N SER D2243 " --> pdb=" O PHE D2239 " (cutoff:3.500A) removed outlier: 5.546A pdb=" N ARG D2244 " --> pdb=" O CYS D2240 " (cutoff:3.500A) Processing helix chain 'D' and resid 2245 through 2254 removed outlier: 4.384A pdb=" N SER D2249 " --> pdb=" O GLN D2245 " (cutoff:3.500A) removed outlier: 4.574A pdb=" N HIS D2253 " --> pdb=" O SER D2249 " (cutoff:3.500A) removed outlier: 4.359A pdb=" N LEU D2254 " --> pdb=" O MET D2250 " (cutoff:3.500A) Processing helix chain 'D' and resid 2255 through 2264 removed outlier: 3.660A pdb=" N GLY D2262 " --> pdb=" O LEU D2258 " (cutoff:3.500A) removed outlier: 4.856A pdb=" N ILE D2263 " --> pdb=" O GLU D2259 " (cutoff:3.500A) Processing helix chain 'D' and resid 2271 through 2281 removed outlier: 3.664A pdb=" N VAL D2280 " --> pdb=" O ALA D2276 " (cutoff:3.500A) Processing helix chain 'D' and resid 2283 through 2290 removed outlier: 4.583A pdb=" N ALA D2287 " --> pdb=" O ASN D2283 " (cutoff:3.500A) removed outlier: 4.776A pdb=" N LEU D2288 " --> pdb=" O ASN D2284 " (cutoff:3.500A) removed outlier: 6.494A pdb=" N ALA D2289 " --> pdb=" O GLU D2285 " (cutoff:3.500A) removed outlier: 5.407A pdb=" N LEU D2290 " --> pdb=" O LEU D2286 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 2283 through 2290' Processing helix chain 'D' and resid 2293 through 2309 removed outlier: 5.125A pdb=" N GLN D2308 " --> pdb=" O GLY D2304 " (cutoff:3.500A) removed outlier: 5.995A pdb=" N SER D2309 " --> pdb=" O CYS D2305 " (cutoff:3.500A) Processing helix chain 'D' and resid 2310 through 2317 removed outlier: 3.730A pdb=" N LEU D2314 " --> pdb=" O CYS D2310 " (cutoff:3.500A) removed outlier: 4.610A pdb=" N LYS D2316 " --> pdb=" O MET D2312 " (cutoff:3.500A) removed outlier: 4.686A pdb=" N GLY D2317 " --> pdb=" O LEU D2313 " (cutoff:3.500A) Processing helix chain 'D' and resid 2324 through 2341 removed outlier: 5.025A pdb=" N GLY D2328 " --> pdb=" O ASN D2324 " (cutoff:3.500A) removed outlier: 3.742A pdb=" N GLU D2329 " --> pdb=" O PRO D2325 " (cutoff:3.500A) removed outlier: 4.845A pdb=" N ARG D2330 " --> pdb=" O CYS D2326 " (cutoff:3.500A) removed outlier: 7.023A pdb=" N TYR D2331 " --> pdb=" O GLY D2327 " (cutoff:3.500A) removed outlier: 5.012A pdb=" N VAL D2341 " --> pdb=" O PHE D2337 " (cutoff:3.500A) Processing helix chain 'D' and resid 2346 through 2361 removed outlier: 4.039A pdb=" N LYS D2360 " --> pdb=" O LEU D2356 " (cutoff:3.500A) Proline residue: D2361 - end of helix Processing helix chain 'D' and resid 2365 through 2370 Processing helix chain 'D' and resid 2375 through 2390 removed outlier: 4.724A pdb=" N ALA D2379 " --> pdb=" O GLY D2375 " (cutoff:3.500A) Proline residue: D2390 - end of helix Processing helix chain 'D' and resid 2417 through 2437 Processing helix chain 'D' and resid 2441 through 2447 removed outlier: 3.736A pdb=" N ALA D2445 " --> pdb=" O HIS D2441 " (cutoff:3.500A) removed outlier: 4.404A pdb=" N GLY D2446 " --> pdb=" O LEU D2442 " (cutoff:3.500A) Processing helix chain 'D' and resid 2448 through 2462 removed outlier: 3.806A pdb=" N VAL D2461 " --> pdb=" O LEU D2457 " (cutoff:3.500A) Proline residue: D2462 - end of helix Processing helix chain 'D' and resid 2463 through 2473 removed outlier: 7.016A pdb=" N VAL D2467 " --> pdb=" O LEU D2463 " (cutoff:3.500A) Proline residue: D2473 - end of helix Processing helix chain 'D' and resid 3645 through 3662 removed outlier: 3.961A pdb=" N ALA D3649 " --> pdb=" O PRO D3645 " (cutoff:3.500A) removed outlier: 4.390A pdb=" N ILE D3662 " --> pdb=" O LYS D3658 " (cutoff:3.500A) Processing helix chain 'D' and resid 3668 through 3681 removed outlier: 4.239A pdb=" N ALA D3680 " --> pdb=" O ASP D3676 " (cutoff:3.500A) removed outlier: 4.283A pdb=" N GLY D3681 " --> pdb=" O LEU D3677 " (cutoff:3.500A) Processing helix chain 'D' and resid 3696 through 3711 Processing helix chain 'D' and resid 3719 through 3740 removed outlier: 5.292A pdb=" N GLU D3736 " --> pdb=" O SER D3732 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N GLU D3737 " --> pdb=" O CYS D3733 " (cutoff:3.500A) Processing helix chain 'D' and resid 3752 through 3772 removed outlier: 3.675A pdb=" N LEU D3770 " --> pdb=" O GLN D3766 " (cutoff:3.500A) removed outlier: 3.714A pdb=" N THR D3772 " --> pdb=" O SER D3768 " (cutoff:3.500A) Processing helix chain 'D' and resid 3774 through 3787 removed outlier: 3.699A pdb=" N CYS D3786 " --> pdb=" O MET D3782 " (cutoff:3.500A) removed outlier: 5.259A pdb=" N LYS D3787 " --> pdb=" O ILE D3783 " (cutoff:3.500A) Processing helix chain 'D' and resid 3791 through 3806 Processing helix chain 'D' and resid 3809 through 3824 Processing helix chain 'D' and resid 3826 through 3839 removed outlier: 6.887A pdb=" N GLN D3830 " --> pdb=" O VAL D3826 " (cutoff:3.500A) removed outlier: 3.747A pdb=" N CYS D3839 " --> pdb=" O LEU D3835 " (cutoff:3.500A) Processing helix chain 'D' and resid 3843 through 3856 removed outlier: 3.546A pdb=" N ALA D3853 " --> pdb=" O ARG D3849 " (cutoff:3.500A) removed outlier: 4.363A pdb=" N GLU D3854 " --> pdb=" O GLN D3850 " (cutoff:3.500A) removed outlier: 3.719A pdb=" N GLY D3855 " --> pdb=" O ASN D3851 " (cutoff:3.500A) removed outlier: 3.702A pdb=" N LEU D3856 " --> pdb=" O LYS D3852 " (cutoff:3.500A) Processing helix chain 'D' and resid 3864 through 3871 removed outlier: 4.549A pdb=" N ARG D3868 " --> pdb=" O THR D3864 " (cutoff:3.500A) removed outlier: 4.484A pdb=" N GLN D3869 " --> pdb=" O VAL D3865 " (cutoff:3.500A) removed outlier: 8.480A pdb=" N ASN D3870 " --> pdb=" O ILE D3866 " (cutoff:3.500A) removed outlier: 4.664A pdb=" N GLY D3871 " --> pdb=" O ASN D3867 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 3864 through 3871' Processing helix chain 'D' and resid 3877 through 3893 removed outlier: 4.005A pdb=" N THR D3881 " --> pdb=" O ASP D3877 " (cutoff:3.500A) removed outlier: 3.820A pdb=" N GLN D3882 " --> pdb=" O ASP D3878 " (cutoff:3.500A) Processing helix chain 'D' and resid 3896 through 3905 removed outlier: 3.776A pdb=" N GLN D3900 " --> pdb=" O ASN D3896 " (cutoff:3.500A) removed outlier: 4.087A pdb=" N ARG D3904 " --> pdb=" O GLN D3900 " (cutoff:3.500A) Processing helix chain 'D' and resid 3914 through 3939 removed outlier: 3.655A pdb=" N CYS D3918 " --> pdb=" O ASN D3914 " (cutoff:3.500A) removed outlier: 4.596A pdb=" N GLY D3939 " --> pdb=" O TRP D3935 " (cutoff:3.500A) Processing helix chain 'D' and resid 3944 through 3970 Processing helix chain 'D' and resid 3973 through 3983 Processing helix chain 'D' and resid 3984 through 4004 removed outlier: 3.628A pdb=" N ALA D3988 " --> pdb=" O ARG D3984 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N GLY D3991 " --> pdb=" O ASP D3987 " (cutoff:3.500A) Processing helix chain 'D' and resid 4009 through 4032 removed outlier: 3.624A pdb=" N LEU D4031 " --> pdb=" O LEU D4027 " (cutoff:3.500A) removed outlier: 4.039A pdb=" N GLU D4032 " --> pdb=" O LEU D4028 " (cutoff:3.500A) Processing helix chain 'D' and resid 4038 through 4052 removed outlier: 4.972A pdb=" N ARG D4042 " --> pdb=" O GLY D4038 " (cutoff:3.500A) Processing helix chain 'D' and resid 4053 through 4072 removed outlier: 3.843A pdb=" N ASP D4070 " --> pdb=" O LEU D4066 " (cutoff:3.500A) Processing helix chain 'D' and resid 4089 through 4099 removed outlier: 3.772A pdb=" N SER D4099 " --> pdb=" O LYS D4095 " (cutoff:3.500A) Processing helix chain 'D' and resid 4107 through 4115 removed outlier: 4.220A pdb=" N LEU D4111 " --> pdb=" O GLU D4107 " (cutoff:3.500A) Processing helix chain 'D' and resid 4124 through 4129 Processing helix chain 'D' and resid 4134 through 4154 removed outlier: 4.005A pdb=" N ASP D4138 " --> pdb=" O GLU D4134 " (cutoff:3.500A) removed outlier: 3.867A pdb=" N ILE D4139 " --> pdb=" O PRO D4135 " (cutoff:3.500A) removed outlier: 4.720A pdb=" N VAL D4154 " --> pdb=" O LEU D4150 " (cutoff:3.500A) Processing helix chain 'D' and resid 4157 through 4168 removed outlier: 3.558A pdb=" N ARG D4161 " --> pdb=" O ASP D4157 " (cutoff:3.500A) removed outlier: 3.821A pdb=" N ASN D4162 " --> pdb=" O PRO D4158 " (cutoff:3.500A) removed outlier: 3.962A pdb=" N PHE D4163 " --> pdb=" O ARG D4159 " (cutoff:3.500A) Processing helix chain 'D' and resid 4169 through 4175 Processing helix chain 'D' and resid 4198 through 4207 removed outlier: 3.913A pdb=" N MET D4207 " --> pdb=" O ALA D4203 " (cutoff:3.500A) Processing helix chain 'D' and resid 4208 through 4224 Processing helix chain 'D' and resid 4229 through 4252 Processing helix chain 'D' and resid 4540 through 4559 removed outlier: 4.213A pdb=" N PHE D4559 " --> pdb=" O LEU D4555 " (cutoff:3.500A) Processing helix chain 'D' and resid 4560 through 4579 removed outlier: 4.381A pdb=" N PHE D4579 " --> pdb=" O PHE D4575 " (cutoff:3.500A) Processing helix chain 'D' and resid 4637 through 4683 Proline residue: D4641 - end of helix removed outlier: 4.261A pdb=" N VAL D4666 " --> pdb=" O ASN D4662 " (cutoff:3.500A) Proline residue: D4667 - end of helix Processing helix chain 'D' and resid 4696 through 4709 removed outlier: 3.781A pdb=" N ARG D4703 " --> pdb=" O GLY D4699 " (cutoff:3.500A) removed outlier: 4.580A pdb=" N LEU D4704 " --> pdb=" O GLN D4700 " (cutoff:3.500A) removed outlier: 4.745A pdb=" N VAL D4705 " --> pdb=" O TRP D4701 " (cutoff:3.500A) removed outlier: 3.807A pdb=" N LEU D4706 " --> pdb=" O ASP D4702 " (cutoff:3.500A) removed outlier: 4.228A pdb=" N ASN D4707 " --> pdb=" O ARG D4703 " (cutoff:3.500A) removed outlier: 4.077A pdb=" N THR D4708 " --> pdb=" O LEU D4704 " (cutoff:3.500A) Proline residue: D4709 - end of helix Processing helix chain 'D' and resid 4719 through 4729 Processing helix chain 'D' and resid 4733 through 4742 removed outlier: 3.503A pdb=" N GLY D4742 " --> pdb=" O ALA D4738 " (cutoff:3.500A) Processing helix chain 'D' and resid 4745 through 4750 removed outlier: 3.756A pdb=" N ILE D4750 " --> pdb=" O ALA D4746 " (cutoff:3.500A) Processing helix chain 'D' and resid 4765 through 4771 removed outlier: 4.254A pdb=" N MET D4769 " --> pdb=" O LEU D4765 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N ILE D4771 " --> pdb=" O TRP D4767 " (cutoff:3.500A) Processing helix chain 'D' and resid 4772 through 4787 removed outlier: 5.775A pdb=" N ASN D4787 " --> pdb=" O ILE D4783 " (cutoff:3.500A) Processing helix chain 'D' and resid 4788 through 4805 removed outlier: 3.824A pdb=" N HIS D4803 " --> pdb=" O SER D4799 " (cutoff:3.500A) removed outlier: 4.334A pdb=" N TYR D4804 " --> pdb=" O LEU D4800 " (cutoff:3.500A) removed outlier: 5.342A pdb=" N ASN D4805 " --> pdb=" O LEU D4801 " (cutoff:3.500A) Processing helix chain 'D' and resid 4807 through 4820 removed outlier: 4.906A pdb=" N ALA D4811 " --> pdb=" O PHE D4807 " (cutoff:3.500A) removed outlier: 4.781A pdb=" N HIS D4812 " --> pdb=" O PHE D4808 " (cutoff:3.500A) removed outlier: 4.531A pdb=" N LEU D4813 " --> pdb=" O PHE D4809 " (cutoff:3.500A) removed outlier: 4.425A pdb=" N LEU D4814 " --> pdb=" O ALA D4810 " (cutoff:3.500A) removed outlier: 4.142A pdb=" N MET D4818 " --> pdb=" O LEU D4814 " (cutoff:3.500A) removed outlier: 4.991A pdb=" N GLY D4819 " --> pdb=" O ASP D4815 " (cutoff:3.500A) removed outlier: 4.134A pdb=" N VAL D4820 " --> pdb=" O ILE D4816 " (cutoff:3.500A) Processing helix chain 'D' and resid 4821 through 4832 removed outlier: 3.900A pdb=" N SER D4829 " --> pdb=" O THR D4825 " (cutoff:3.500A) removed outlier: 4.079A pdb=" N VAL D4830 " --> pdb=" O ILE D4826 " (cutoff:3.500A) Processing helix chain 'D' and resid 4833 through 4859 Processing helix chain 'D' and resid 4878 through 4893 removed outlier: 4.622A pdb=" N VAL D4891 " --> pdb=" O MET D4887 " (cutoff:3.500A) removed outlier: 4.578A pdb=" N ARG D4892 " --> pdb=" O TYR D4888 " (cutoff:3.500A) Processing helix chain 'D' and resid 4896 through 4901 removed outlier: 4.955A pdb=" N GLU D4900 " --> pdb=" O GLY D4896 " (cutoff:3.500A) Processing helix chain 'D' and resid 4909 through 4924 Processing helix chain 'D' and resid 4928 through 4957 removed outlier: 3.658A pdb=" N ILE D4932 " --> pdb=" O LEU D4928 " (cutoff:3.500A) Processing helix chain 'D' and resid 4964 through 4970 removed outlier: 3.928A pdb=" N PHE D4968 " --> pdb=" O GLY D4964 " (cutoff:3.500A) removed outlier: 4.047A pdb=" N THR D4970 " --> pdb=" O ASP D4966 " (cutoff:3.500A) Processing helix chain 'D' and resid 4973 through 4981 Processing helix chain 'D' and resid 4984 through 4999 removed outlier: 5.633A pdb=" N TYR D4988 " --> pdb=" O ASN D4984 " (cutoff:3.500A) removed outlier: 5.289A 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 5027 through 5033 Processing helix chain 'D' and resid 4685 through 4690 Processing sheet with id= 1, first strand: chain 'A' and resid 47 through 52 removed outlier: 6.067A pdb=" N LYS A 34 " --> pdb=" O THR A 52 " (cutoff:3.500A) removed outlier: 4.031A pdb=" N LEU A 37 " --> pdb=" O LEU A 22 " (cutoff:3.500A) removed outlier: 6.400A pdb=" N LEU A 22 " --> pdb=" O LEU A 37 " (cutoff:3.500A) removed outlier: 11.658A pdb=" N ALA A 39 " --> pdb=" O VAL A 20 " (cutoff:3.500A) removed outlier: 14.412A pdb=" N VAL A 20 " --> pdb=" O ALA A 39 " (cutoff:3.500A) Processing sheet with id= 2, first strand: chain 'A' and resid 67 through 70 removed outlier: 6.900A pdb=" N LEU A 108 " --> pdb=" O GLU A 70 " (cutoff:3.500A) Processing sheet with id= 3, first strand: chain 'A' and resid 135 through 139 Processing sheet with id= 4, first strand: chain 'A' and resid 148 through 152 Processing sheet with id= 5, first strand: chain 'A' and resid 229 through 233 Processing sheet with id= 6, first strand: chain 'A' and resid 260 through 264 removed outlier: 16.359A pdb=" N LEU A 280 " --> pdb=" O LEU A 293 " (cutoff:3.500A) removed outlier: 10.824A pdb=" N LEU A 293 " --> pdb=" O LEU A 280 " (cutoff:3.500A) removed outlier: 5.843A pdb=" N ILE A 282 " --> pdb=" O LEU A 291 " (cutoff:3.500A) Processing sheet with id= 7, first strand: chain 'A' and resid 660 through 669 removed outlier: 8.075A pdb=" N GLY A 660 " --> pdb=" O LEU A 750 " (cutoff:3.500A) removed outlier: 6.471A pdb=" N TRP A 662 " --> pdb=" O LEU A 748 " (cutoff:3.500A) Processing sheet with id= 8, first strand: chain 'A' and resid 681 through 685 removed outlier: 6.636A pdb=" N HIS A 681 " --> pdb=" O SER A 784 " (cutoff:3.500A) removed outlier: 3.726A pdb=" N ARG A1646 " --> pdb=" O ILE A1641 " (cutoff:3.500A) Processing sheet with id= 9, first strand: chain 'A' and resid 786 through 790 removed outlier: 6.054A pdb=" N VAL A 787 " --> pdb=" O CYS A1630 " (cutoff:3.500A) Processing sheet with id= 10, first strand: chain 'A' and resid 838 through 841 removed outlier: 5.713A pdb=" N GLN A1198 " --> pdb=" O GLY A 841 " (cutoff:3.500A) removed outlier: 6.613A pdb=" N VAL A1199 " --> pdb=" O VAL A1095 " (cutoff:3.500A) Processing sheet with id= 11, first strand: chain 'A' and resid 892 through 895 No H-bonds generated for sheet with id= 11 Processing sheet with id= 12, first strand: chain 'A' and resid 1135 through 1139 removed outlier: 3.613A pdb=" N GLY A1135 " --> pdb=" O HIS A1133 " (cutoff:3.500A) removed outlier: 5.099A pdb=" N GLY A1129 " --> pdb=" O PHE A1139 " (cutoff:3.500A) removed outlier: 3.592A pdb=" N VAL A1123 " --> pdb=" O TRP A1132 " (cutoff:3.500A) removed outlier: 4.394A pdb=" N GLY A1126 " --> pdb=" O MET A1100 " (cutoff:3.500A) removed outlier: 7.980A pdb=" N MET A1100 " --> pdb=" O GLY A1126 " (cutoff:3.500A) removed outlier: 6.681A pdb=" N GLU A1099 " --> pdb=" O GLY A1195 " (cutoff:3.500A) removed outlier: 4.104A pdb=" N ALA A1077 " --> pdb=" O PRO A1190 " (cutoff:3.500A) removed outlier: 10.487A pdb=" N VAL A1072 " --> pdb=" O SER A1241 " (cutoff:3.500A) removed outlier: 7.338A pdb=" N SER A1241 " --> pdb=" O VAL A1072 " (cutoff:3.500A) removed outlier: 5.212A pdb=" N ILE A1074 " --> pdb=" O SER A1239 " (cutoff:3.500A) Processing sheet with id= 13, first strand: chain 'A' and resid 1269 through 1272 removed outlier: 5.124A pdb=" N ARG A1470 " --> pdb=" O LEU A1272 " (cutoff:3.500A) removed outlier: 4.066A pdb=" N ALA A1471 " --> pdb=" O SER A1486 " (cutoff:3.500A) removed outlier: 3.622A pdb=" N SER A1486 " --> pdb=" O ALA A1471 " (cutoff:3.500A) removed outlier: 3.921A pdb=" N HIS A1484 " --> pdb=" O THR A1473 " (cutoff:3.500A) removed outlier: 3.915A pdb=" N THR A1475 " --> pdb=" O ASN A1482 " (cutoff:3.500A) removed outlier: 4.164A pdb=" N ASN A1482 " --> pdb=" O THR A1475 " (cutoff:3.500A) Processing sheet with id= 14, first strand: chain 'A' and resid 1284 through 1289 removed outlier: 5.810A pdb=" N GLU A1285 " --> pdb=" O MET A1462 " (cutoff:3.500A) removed outlier: 6.086A pdb=" N HIS A1458 " --> pdb=" O LEU A1289 " (cutoff:3.500A) Processing sheet with id= 15, first strand: chain 'A' and resid 4177 through 4184 removed outlier: 4.900A pdb=" N TYR A4177 " --> pdb=" O ILE A4197 " (cutoff:3.500A) Processing sheet with id= 16, first strand: chain 'A' and resid 4580 through 4584 Processing sheet with id= 17, first strand: chain 'A' and resid 109 through 112 removed outlier: 5.518A pdb=" N LEU A 109 " --> pdb=" O LEU A 118 " (cutoff:3.500A) removed outlier: 4.042A pdb=" N MET A 116 " --> pdb=" O HIS A 111 " (cutoff:3.500A) Processing sheet with id= 18, first strand: chain 'B' and resid 47 through 52 removed outlier: 6.068A pdb=" N LYS B 34 " --> pdb=" O THR B 52 " (cutoff:3.500A) removed outlier: 4.031A pdb=" N LEU B 37 " --> pdb=" O LEU B 22 " (cutoff:3.500A) removed outlier: 6.400A pdb=" N LEU B 22 " --> pdb=" O LEU B 37 " (cutoff:3.500A) removed outlier: 11.657A pdb=" N ALA B 39 " --> pdb=" O VAL B 20 " (cutoff:3.500A) removed outlier: 14.411A pdb=" N VAL B 20 " --> pdb=" O ALA B 39 " (cutoff:3.500A) Processing sheet with id= 19, first strand: chain 'B' and resid 67 through 70 removed outlier: 6.900A pdb=" N LEU B 108 " --> pdb=" O GLU B 70 " (cutoff:3.500A) Processing sheet with id= 20, first strand: chain 'B' and resid 135 through 139 Processing sheet with id= 21, first strand: chain 'B' and resid 148 through 152 Processing sheet with id= 22, first strand: chain 'B' and resid 229 through 233 Processing sheet with id= 23, first strand: chain 'B' and resid 260 through 264 removed outlier: 16.358A pdb=" N LEU B 280 " --> pdb=" O LEU B 293 " (cutoff:3.500A) removed outlier: 10.824A pdb=" N LEU B 293 " --> pdb=" O LEU B 280 " (cutoff:3.500A) removed outlier: 5.843A pdb=" N ILE B 282 " --> pdb=" O LEU B 291 " (cutoff:3.500A) Processing sheet with id= 24, first strand: chain 'B' and resid 660 through 669 removed outlier: 8.074A pdb=" N GLY B 660 " --> pdb=" O LEU B 750 " (cutoff:3.500A) removed outlier: 6.470A pdb=" N TRP B 662 " --> pdb=" O LEU B 748 " (cutoff:3.500A) Processing sheet with id= 25, first strand: chain 'B' and resid 681 through 685 removed outlier: 6.636A pdb=" N HIS B 681 " --> pdb=" O SER B 784 " (cutoff:3.500A) removed outlier: 3.726A pdb=" N ARG B1646 " --> pdb=" O ILE B1641 " (cutoff:3.500A) Processing sheet with id= 26, first strand: chain 'B' and resid 786 through 790 removed outlier: 6.054A pdb=" N VAL B 787 " --> pdb=" O CYS B1630 " (cutoff:3.500A) Processing sheet with id= 27, first strand: chain 'B' and resid 838 through 841 removed outlier: 5.712A pdb=" N GLN B1198 " --> pdb=" O GLY B 841 " (cutoff:3.500A) removed outlier: 6.612A pdb=" N VAL B1199 " --> pdb=" O VAL B1095 " (cutoff:3.500A) Processing sheet with id= 28, first strand: chain 'B' and resid 892 through 895 No H-bonds generated for sheet with id= 28 Processing sheet with id= 29, first strand: chain 'B' and resid 1135 through 1139 removed outlier: 3.613A pdb=" N GLY B1135 " --> pdb=" O HIS B1133 " (cutoff:3.500A) removed outlier: 5.099A pdb=" N GLY B1129 " --> pdb=" O PHE B1139 " (cutoff:3.500A) removed outlier: 3.592A pdb=" N VAL B1123 " --> pdb=" O TRP B1132 " (cutoff:3.500A) removed outlier: 4.394A pdb=" N GLY B1126 " --> pdb=" O MET B1100 " (cutoff:3.500A) removed outlier: 7.980A pdb=" N MET B1100 " --> pdb=" O GLY B1126 " (cutoff:3.500A) removed outlier: 6.680A pdb=" N GLU B1099 " --> pdb=" O GLY B1195 " (cutoff:3.500A) removed outlier: 4.103A pdb=" N ALA B1077 " --> pdb=" O PRO B1190 " (cutoff:3.500A) removed outlier: 10.486A pdb=" N VAL B1072 " --> pdb=" O SER B1241 " (cutoff:3.500A) removed outlier: 7.338A pdb=" N SER B1241 " --> pdb=" O VAL B1072 " (cutoff:3.500A) removed outlier: 5.212A pdb=" N ILE B1074 " --> pdb=" O SER B1239 " (cutoff:3.500A) Processing sheet with id= 30, first strand: chain 'B' and resid 1269 through 1272 removed outlier: 5.123A pdb=" N ARG B1470 " --> pdb=" O LEU B1272 " (cutoff:3.500A) removed outlier: 4.066A pdb=" N ALA B1471 " --> pdb=" O SER B1486 " (cutoff:3.500A) removed outlier: 3.622A pdb=" N SER B1486 " --> pdb=" O ALA B1471 " (cutoff:3.500A) removed outlier: 3.921A pdb=" N HIS B1484 " --> pdb=" O THR B1473 " (cutoff:3.500A) removed outlier: 3.870A pdb=" N THR B1475 " --> pdb=" O ASN B1482 " (cutoff:3.500A) removed outlier: 4.285A pdb=" N ASN B1482 " --> pdb=" O THR B1475 " (cutoff:3.500A) Processing sheet with id= 31, first strand: chain 'B' and resid 1284 through 1289 removed outlier: 5.809A pdb=" N GLU B1285 " --> pdb=" O MET B1462 " (cutoff:3.500A) removed outlier: 4.420A pdb=" N HIS B1458 " --> pdb=" O LEU B1289 " (cutoff:3.500A) Processing sheet with id= 32, first strand: chain 'B' and resid 4177 through 4184 removed outlier: 4.898A pdb=" N TYR B4177 " --> pdb=" O ILE B4197 " (cutoff:3.500A) Processing sheet with id= 33, first strand: chain 'B' and resid 4580 through 4584 Processing sheet with id= 34, first strand: chain 'B' and resid 109 through 112 removed outlier: 5.518A pdb=" N LEU B 109 " --> pdb=" O LEU B 118 " (cutoff:3.500A) removed outlier: 4.042A pdb=" N MET B 116 " --> pdb=" O HIS B 111 " (cutoff:3.500A) Processing sheet with id= 35, first strand: chain 'C' and resid 47 through 52 removed outlier: 6.068A pdb=" N LYS C 34 " --> pdb=" O THR C 52 " (cutoff:3.500A) removed outlier: 4.031A pdb=" N LEU C 37 " --> pdb=" O LEU C 22 " (cutoff:3.500A) removed outlier: 6.400A pdb=" N LEU C 22 " --> pdb=" O LEU C 37 " (cutoff:3.500A) removed outlier: 11.656A pdb=" N ALA C 39 " --> pdb=" O VAL C 20 " (cutoff:3.500A) removed outlier: 14.411A pdb=" N VAL C 20 " --> pdb=" O ALA C 39 " (cutoff:3.500A) Processing sheet with id= 36, first strand: chain 'C' and resid 67 through 70 removed outlier: 6.901A pdb=" N LEU C 108 " --> pdb=" O GLU C 70 " (cutoff:3.500A) Processing sheet with id= 37, first strand: chain 'C' and resid 135 through 139 Processing sheet with id= 38, first strand: chain 'C' and resid 148 through 152 Processing sheet with id= 39, first strand: chain 'C' and resid 229 through 233 Processing sheet with id= 40, first strand: chain 'C' and resid 260 through 264 removed outlier: 16.359A pdb=" N LEU C 280 " --> pdb=" O LEU C 293 " (cutoff:3.500A) removed outlier: 10.825A pdb=" N LEU C 293 " --> pdb=" O LEU C 280 " (cutoff:3.500A) removed outlier: 5.843A pdb=" N ILE C 282 " --> pdb=" O LEU C 291 " (cutoff:3.500A) Processing sheet with id= 41, first strand: chain 'C' and resid 660 through 669 removed outlier: 8.074A pdb=" N GLY C 660 " --> pdb=" O LEU C 750 " (cutoff:3.500A) removed outlier: 6.471A pdb=" N TRP C 662 " --> pdb=" O LEU C 748 " (cutoff:3.500A) Processing sheet with id= 42, first strand: chain 'C' and resid 681 through 685 removed outlier: 6.635A pdb=" N HIS C 681 " --> pdb=" O SER C 784 " (cutoff:3.500A) removed outlier: 3.726A pdb=" N ARG C1646 " --> pdb=" O ILE C1641 " (cutoff:3.500A) Processing sheet with id= 43, first strand: chain 'C' and resid 786 through 790 removed outlier: 6.055A pdb=" N VAL C 787 " --> pdb=" O CYS C1630 " (cutoff:3.500A) Processing sheet with id= 44, first strand: chain 'C' and resid 838 through 841 removed outlier: 5.712A pdb=" N GLN C1198 " --> pdb=" O GLY C 841 " (cutoff:3.500A) removed outlier: 6.612A pdb=" N VAL C1199 " --> pdb=" O VAL C1095 " (cutoff:3.500A) Processing sheet with id= 45, first strand: chain 'C' and resid 892 through 895 No H-bonds generated for sheet with id= 45 Processing sheet with id= 46, first strand: chain 'C' and resid 1135 through 1139 removed outlier: 3.614A pdb=" N GLY C1135 " --> pdb=" O HIS C1133 " (cutoff:3.500A) removed outlier: 5.099A pdb=" N GLY C1129 " --> pdb=" O PHE C1139 " (cutoff:3.500A) removed outlier: 3.592A pdb=" N VAL C1123 " --> pdb=" O TRP C1132 " (cutoff:3.500A) removed outlier: 4.393A pdb=" N GLY C1126 " --> pdb=" O MET C1100 " (cutoff:3.500A) removed outlier: 7.980A pdb=" N MET C1100 " --> pdb=" O GLY C1126 " (cutoff:3.500A) removed outlier: 6.680A pdb=" N GLU C1099 " --> pdb=" O GLY C1195 " (cutoff:3.500A) removed outlier: 4.103A pdb=" N ALA C1077 " --> pdb=" O PRO C1190 " (cutoff:3.500A) removed outlier: 10.486A pdb=" N VAL C1072 " --> pdb=" O SER C1241 " (cutoff:3.500A) removed outlier: 7.339A pdb=" N SER C1241 " --> pdb=" O VAL C1072 " (cutoff:3.500A) removed outlier: 5.212A pdb=" N ILE C1074 " --> pdb=" O SER C1239 " (cutoff:3.500A) Processing sheet with id= 47, first strand: chain 'C' and resid 1269 through 1272 removed outlier: 5.123A pdb=" N ARG C1470 " --> pdb=" O LEU C1272 " (cutoff:3.500A) removed outlier: 4.066A pdb=" N ALA C1471 " --> pdb=" O SER C1486 " (cutoff:3.500A) removed outlier: 3.622A pdb=" N SER C1486 " --> pdb=" O ALA C1471 " (cutoff:3.500A) removed outlier: 3.922A pdb=" N HIS C1484 " --> pdb=" O THR C1473 " (cutoff:3.500A) removed outlier: 3.870A pdb=" N THR C1475 " --> pdb=" O ASN C1482 " (cutoff:3.500A) removed outlier: 4.286A pdb=" N ASN C1482 " --> pdb=" O THR C1475 " (cutoff:3.500A) Processing sheet with id= 48, first strand: chain 'C' and resid 1284 through 1289 removed outlier: 5.809A pdb=" N GLU C1285 " --> pdb=" O MET C1462 " (cutoff:3.500A) removed outlier: 4.681A pdb=" N HIS C1458 " --> pdb=" O LEU C1289 " (cutoff:3.500A) Processing sheet with id= 49, first strand: chain 'C' and resid 4177 through 4184 removed outlier: 4.899A pdb=" N TYR C4177 " --> pdb=" O ILE C4197 " (cutoff:3.500A) Processing sheet with id= 50, first strand: chain 'C' and resid 4580 through 4584 Processing sheet with id= 51, first strand: chain 'C' and resid 109 through 112 removed outlier: 5.518A pdb=" N LEU C 109 " --> pdb=" O LEU C 118 " (cutoff:3.500A) removed outlier: 4.042A pdb=" N MET C 116 " --> pdb=" O HIS C 111 " (cutoff:3.500A) Processing sheet with id= 52, first strand: chain 'D' and resid 47 through 52 removed outlier: 6.068A pdb=" N LYS D 34 " --> pdb=" O THR D 52 " (cutoff:3.500A) removed outlier: 4.030A pdb=" N LEU D 37 " --> pdb=" O LEU D 22 " (cutoff:3.500A) removed outlier: 6.400A pdb=" N LEU D 22 " --> pdb=" O LEU D 37 " (cutoff:3.500A) removed outlier: 11.657A pdb=" N ALA D 39 " --> pdb=" O VAL D 20 " (cutoff:3.500A) removed outlier: 14.412A pdb=" N VAL D 20 " --> pdb=" O ALA D 39 " (cutoff:3.500A) Processing sheet with id= 53, first strand: chain 'D' and resid 67 through 70 removed outlier: 6.900A pdb=" N LEU D 108 " --> pdb=" O GLU D 70 " (cutoff:3.500A) Processing sheet with id= 54, first strand: chain 'D' and resid 135 through 139 Processing sheet with id= 55, first strand: chain 'D' and resid 148 through 152 Processing sheet with id= 56, first strand: chain 'D' and resid 229 through 233 Processing sheet with id= 57, first strand: chain 'D' and resid 260 through 264 removed outlier: 16.359A pdb=" N LEU D 280 " --> pdb=" O LEU D 293 " (cutoff:3.500A) removed outlier: 10.824A pdb=" N LEU D 293 " --> pdb=" O LEU D 280 " (cutoff:3.500A) removed outlier: 5.843A pdb=" N ILE D 282 " --> pdb=" O LEU D 291 " (cutoff:3.500A) Processing sheet with id= 58, first strand: chain 'D' and resid 660 through 669 removed outlier: 8.073A pdb=" N GLY D 660 " --> pdb=" O LEU D 750 " (cutoff:3.500A) removed outlier: 6.471A pdb=" N TRP D 662 " --> pdb=" O LEU D 748 " (cutoff:3.500A) Processing sheet with id= 59, first strand: chain 'D' and resid 681 through 685 removed outlier: 6.635A pdb=" N HIS D 681 " --> pdb=" O SER D 784 " (cutoff:3.500A) removed outlier: 3.726A pdb=" N ARG D1646 " --> pdb=" O ILE D1641 " (cutoff:3.500A) Processing sheet with id= 60, first strand: chain 'D' and resid 786 through 790 removed outlier: 6.055A pdb=" N VAL D 787 " --> pdb=" O CYS D1630 " (cutoff:3.500A) Processing sheet with id= 61, first strand: chain 'D' and resid 838 through 841 removed outlier: 5.713A pdb=" N GLN D1198 " --> pdb=" O GLY D 841 " (cutoff:3.500A) removed outlier: 6.611A pdb=" N VAL D1199 " --> pdb=" O VAL D1095 " (cutoff:3.500A) Processing sheet with id= 62, first strand: chain 'D' and resid 892 through 895 No H-bonds generated for sheet with id= 62 Processing sheet with id= 63, first strand: chain 'D' and resid 1135 through 1139 removed outlier: 3.613A pdb=" N GLY D1135 " --> pdb=" O HIS D1133 " (cutoff:3.500A) removed outlier: 5.100A pdb=" N GLY D1129 " --> pdb=" O PHE D1139 " (cutoff:3.500A) removed outlier: 3.592A pdb=" N VAL D1123 " --> pdb=" O TRP D1132 " (cutoff:3.500A) removed outlier: 4.393A pdb=" N GLY D1126 " --> pdb=" O MET D1100 " (cutoff:3.500A) removed outlier: 7.980A pdb=" N MET D1100 " --> pdb=" O GLY D1126 " (cutoff:3.500A) removed outlier: 6.680A pdb=" N GLU D1099 " --> pdb=" O GLY D1195 " (cutoff:3.500A) removed outlier: 4.104A pdb=" N ALA D1077 " --> pdb=" O PRO D1190 " (cutoff:3.500A) removed outlier: 10.485A pdb=" N VAL D1072 " --> pdb=" O SER D1241 " (cutoff:3.500A) removed outlier: 7.339A pdb=" N SER D1241 " --> pdb=" O VAL D1072 " (cutoff:3.500A) removed outlier: 5.212A pdb=" N ILE D1074 " --> pdb=" O SER D1239 " (cutoff:3.500A) Processing sheet with id= 64, first strand: chain 'D' and resid 1269 through 1272 removed outlier: 5.123A pdb=" N ARG D1470 " --> pdb=" O LEU D1272 " (cutoff:3.500A) removed outlier: 4.067A pdb=" N ALA D1471 " --> pdb=" O SER D1486 " (cutoff:3.500A) removed outlier: 3.623A pdb=" N SER D1486 " --> pdb=" O ALA D1471 " (cutoff:3.500A) removed outlier: 3.921A pdb=" N HIS D1484 " --> pdb=" O THR D1473 " (cutoff:3.500A) removed outlier: 3.869A pdb=" N THR D1475 " --> pdb=" O ASN D1482 " (cutoff:3.500A) removed outlier: 4.286A pdb=" N ASN D1482 " --> pdb=" O THR D1475 " (cutoff:3.500A) Processing sheet with id= 65, first strand: chain 'D' and resid 1284 through 1289 removed outlier: 5.809A pdb=" N GLU D1285 " --> pdb=" O MET D1462 " (cutoff:3.500A) removed outlier: 4.420A pdb=" N HIS D1458 " --> pdb=" O LEU D1289 " (cutoff:3.500A) Processing sheet with id= 66, first strand: chain 'D' and resid 4177 through 4184 removed outlier: 4.900A pdb=" N TYR D4177 " --> pdb=" O ILE D4197 " (cutoff:3.500A) Processing sheet with id= 67, first strand: chain 'D' and resid 4580 through 4584 Processing sheet with id= 68, first strand: chain 'D' and resid 109 through 112 removed outlier: 5.518A pdb=" N LEU D 109 " --> pdb=" O LEU D 118 " (cutoff:3.500A) removed outlier: 4.042A pdb=" N MET D 116 " --> pdb=" O HIS D 111 " (cutoff:3.500A) 4678 hydrogen bonds defined for protein. 13986 hydrogen bond angles defined for protein. Restraints generated for nucleic acids: 0 hydrogen bonds 0 hydrogen bond angles 0 basepair planarities 0 basepair parallelities 0 stacking parallelities Total time for adding SS restraints: 60.81 Time building geometry restraints manager: 37.54 seconds NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Histogram of bond lengths: 1.20 - 1.32: 19858 1.32 - 1.45: 27861 1.45 - 1.57: 64588 1.57 - 1.70: 34 1.70 - 1.82: 1024 Bond restraints: 113365 Sorted by residual: bond pdb=" O3A ACP C5101 " pdb=" PB ACP C5101 " ideal model delta sigma weight residual 1.698 1.590 0.108 2.00e-02 2.50e+03 2.92e+01 bond pdb=" O3A ACP D5101 " pdb=" PB ACP D5101 " ideal model delta sigma weight residual 1.698 1.590 0.108 2.00e-02 2.50e+03 2.91e+01 bond pdb=" O2B ACP A5101 " pdb=" PB ACP A5101 " ideal model delta sigma weight residual 1.507 1.602 -0.095 2.00e-02 2.50e+03 2.25e+01 bond pdb=" O2B ACP B5101 " pdb=" PB ACP B5101 " ideal model delta sigma weight residual 1.507 1.602 -0.095 2.00e-02 2.50e+03 2.24e+01 bond pdb=" C4 ACP B5101 " pdb=" N9 ACP B5101 " ideal model delta sigma weight residual 1.364 1.281 0.083 2.00e-02 2.50e+03 1.73e+01 ... (remaining 113360 not shown) Histogram of bond angle deviations from ideal: 99.74 - 107.31: 3726 107.31 - 114.88: 66028 114.88 - 122.45: 68369 122.45 - 130.02: 15685 130.02 - 137.59: 654 Bond angle restraints: 154462 Sorted by residual: angle pdb=" N VAL A3874 " pdb=" CA VAL A3874 " pdb=" C VAL A3874 " ideal model delta sigma weight residual 113.22 103.38 9.84 1.23e+00 6.61e-01 6.41e+01 angle pdb=" N LYS B3873 " pdb=" CA LYS B3873 " pdb=" C LYS B3873 " ideal model delta sigma weight residual 114.39 105.27 9.12 1.45e+00 4.76e-01 3.96e+01 angle pdb=" CA GLN D2308 " pdb=" CB GLN D2308 " pdb=" CG GLN D2308 " ideal model delta sigma weight residual 114.10 126.37 -12.27 2.00e+00 2.50e-01 3.77e+01 angle pdb=" CA GLN C2308 " pdb=" CB GLN C2308 " pdb=" CG GLN C2308 " ideal model delta sigma weight residual 114.10 126.36 -12.26 2.00e+00 2.50e-01 3.76e+01 angle pdb=" CA GLN B2308 " pdb=" CB GLN B2308 " pdb=" CG GLN B2308 " ideal model delta sigma weight residual 114.10 126.36 -12.26 2.00e+00 2.50e-01 3.76e+01 ... (remaining 154457 not shown) Histogram of dihedral angle deviations from ideal: 0.00 - 35.92: 65645 35.92 - 71.84: 2237 71.84 - 107.75: 177 107.75 - 143.67: 12 143.67 - 179.59: 11 Dihedral angle restraints: 68082 sinusoidal: 22402 harmonic: 45680 Sorted by residual: dihedral pdb=" CA ALA B3680 " pdb=" C ALA B3680 " pdb=" N GLY B3681 " pdb=" CA GLY B3681 " ideal model delta harmonic sigma weight residual 180.00 151.57 28.43 0 5.00e+00 4.00e-02 3.23e+01 dihedral pdb=" CA ALA A3680 " pdb=" C ALA A3680 " pdb=" N GLY A3681 " pdb=" CA GLY A3681 " ideal model delta harmonic sigma weight residual 180.00 151.58 28.42 0 5.00e+00 4.00e-02 3.23e+01 dihedral pdb=" CA ALA D3680 " pdb=" C ALA D3680 " pdb=" N GLY D3681 " pdb=" CA GLY D3681 " ideal model delta harmonic sigma weight residual 180.00 151.59 28.41 0 5.00e+00 4.00e-02 3.23e+01 ... (remaining 68079 not shown) Histogram of chiral volume deviations from ideal: 0.000 - 0.059: 15357 0.059 - 0.117: 2260 0.117 - 0.176: 395 0.176 - 0.234: 61 0.234 - 0.293: 14 Chirality restraints: 18087 Sorted by residual: chirality pdb=" CA PHE A4077 " pdb=" N PHE A4077 " pdb=" C PHE A4077 " pdb=" CB PHE A4077 " both_signs ideal model delta sigma weight residual False 2.51 2.22 0.29 2.00e-01 2.50e+01 2.14e+00 chirality pdb=" CA ILE A4181 " pdb=" N ILE A4181 " pdb=" C ILE A4181 " pdb=" CB ILE A4181 " both_signs ideal model delta sigma weight residual False 2.43 2.72 -0.29 2.00e-01 2.50e+01 2.12e+00 chirality pdb=" CA ILE D4181 " pdb=" N ILE D4181 " pdb=" C ILE D4181 " pdb=" CB ILE D4181 " both_signs ideal model delta sigma weight residual False 2.43 2.72 -0.29 2.00e-01 2.50e+01 2.11e+00 ... (remaining 18084 not shown) Planarity restraints: 20349 Sorted by residual: delta sigma weight rms_deltas residual plane pdb=" C41 LBN C5107 " -0.256 2.00e-02 2.50e+03 2.48e-01 6.15e+02 pdb=" C42 LBN C5107 " 0.280 2.00e-02 2.50e+03 pdb=" C5 LBN C5107 " 0.214 2.00e-02 2.50e+03 pdb=" C8 LBN C5107 " -0.237 2.00e-02 2.50e+03 delta sigma weight rms_deltas residual plane pdb=" C41 LBN A5107 " -0.094 2.00e-02 2.50e+03 2.09e-01 4.37e+02 pdb=" C42 LBN A5107 " 0.279 2.00e-02 2.50e+03 pdb=" C5 LBN A5107 " -0.281 2.00e-02 2.50e+03 pdb=" C8 LBN A5107 " 0.097 2.00e-02 2.50e+03 delta sigma weight rms_deltas residual plane pdb=" C41 LBN C5106 " 0.092 2.00e-02 2.50e+03 1.90e-01 3.60e+02 pdb=" C42 LBN C5106 " -0.254 2.00e-02 2.50e+03 pdb=" C5 LBN C5106 " 0.251 2.00e-02 2.50e+03 pdb=" C8 LBN C5106 " -0.089 2.00e-02 2.50e+03 ... (remaining 20346 not shown) Histogram of nonbonded interaction distances: 2.20 - 2.74: 6896 2.74 - 3.28: 113788 3.28 - 3.82: 178480 3.82 - 4.36: 190125 4.36 - 4.90: 331514 Nonbonded interactions: 820803 Sorted by model distance: nonbonded pdb=" O1G ACP B5101 " pdb="MG MG B5105 " model vdw 2.198 2.170 nonbonded pdb=" N ASP D4092 " pdb=" OD1 ASP D4092 " model vdw 2.226 2.520 nonbonded pdb=" N ASP B4092 " pdb=" OD1 ASP B4092 " model vdw 2.227 2.520 nonbonded pdb=" N ASP C4092 " pdb=" OD1 ASP C4092 " model vdw 2.227 2.520 nonbonded pdb=" O LEU A2257 " pdb=" OG SER A2261 " model vdw 2.236 2.440 ... (remaining 820798 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' and (resid 12 through 188 or (resid 189 and (name N or name CA or nam \ e C or name O or name CB )) or resid 190 through 277 or (resid 278 and (name N o \ r name CA or name C or name O or name CB )) or resid 279 through 356 or (resid 3 \ 57 and (name N or name CA or name C or name O or name CB )) or resid 358 through \ 509 or (resid 510 through 512 and (name N or name CA or name C or name O or nam \ e CB )) or resid 513 through 553 or (resid 554 and (name N or name CA or name C \ or name O or name CB )) or resid 555 through 651 or (resid 652 through 654 and ( \ name N or name CA or name C or name O or name CB )) or resid 655 through 658 or \ (resid 659 and (name N or name CA or name C or name O or name CB )) or resid 660 \ through 662 or (resid 663 through 665 and (name N or name CA or name C or name \ O or name CB )) or resid 666 through 734 or (resid 735 and (name N or name CA or \ name C or name O or name CB )) or resid 736 through 777 or (resid 778 and (name \ N or name CA or name C or name O or name CB )) or resid 779 through 812 or (res \ id 813 through 814 and (name N or name CA or name C or name O or name CB )) or r \ esid 815 through 918 or (resid 919 and (name N or name CA or name C or name O or \ name CB )) or resid 920 through 964 or (resid 965 through 966 and (name N or na \ me CA or name C or name O or name CB )) or resid 967 through 1028 or (resid 1029 \ through 1030 and (name N or name CA or name C or name O or name CB )) or resid \ 1031 or (resid 1032 through 1033 and (name N or name CA or name C or name O or n \ ame CB )) or resid 1034 through 1035 or (resid 1036 through 1037 and (name N or \ name CA or name C or name O or name CB )) or resid 1038 through 1043 or (resid 1 \ 044 and (name N or name CA or name C or name O or name CB )) or resid 1045 or (r \ esid 1046 through 1047 and (name N or name CA or name C or name O or name CB )) \ or resid 1048 through 1442 or (resid 1443 through 1444 and (name N or name CA or \ name C or name O or name CB )) or resid 1445 through 1457 or (resid 1458 throug \ h 1459 and (name N or name CA or name C or name O or name CB )) or resid 1460 th \ rough 1464 or (resid 1465 and (name N or name CA or name C or name O or name CB \ )) or resid 1466 through 1473 or (resid 1474 through 1476 and (name N or name CA \ or name C or name O or name CB )) or (resid 1477 through 1484 and (name N or na \ me CA or name C or name O or name CB )) or resid 1485 through 2027 or (resid 202 \ 8 and (name N or name CA or name C or name O or name CB )) or resid 2029 through \ 2044 or (resid 2045 and (name N or name CA or name C or name O or name CB )) or \ resid 2046 through 2439 or (resid 2440 through 2441 and (name N or name CA or n \ ame C or name O or name CB )) or resid 2442 through 3660 or (resid 3661 and (nam \ e N or name CA or name C or name O or name CB )) or resid 3662 through 3681 or ( \ resid 3682 through 3693 and (name N or name CA or name C or name O or name CB )) \ or resid 3694 through 3736 or (resid 3737 and (name N or name CA or name C or n \ ame O or name CB )) or (resid 3738 through 3750 and (name N or name CA or name C \ or name O or name CB )) or resid 3751 through 4077 or (resid 4078 through 4080 \ and (name N or name CA or name C or name O or name CB )) or resid 4081 through 4 \ 101 or (resid 4102 through 4103 and (name N or name CA or name C or name O or na \ me CB )) or resid 4104 through 4863 or (resid 4864 and (name N or name CA or nam \ e C or name O or name CB )) or resid 4865 through 5037 or resid 5101 through 510 \ 5 or (resid 5107 and (name C1 or name C10 or name C11 or name C12 or name C15 or \ name C18 or name C25 or name C26 or name C27 or name C28 or name C29 or name C3 \ or name C30 or name C31 or name C32 or name C33 or name C34 or name C35 or name \ C36 or name C37 or name C38 or name C39 or name C4 or name C40 or name C41 or n \ ame C42 or name C5 or name C6 or name C7 or name C8 or name C9 or name N1 or nam \ e O1 or name O2 or name O3 or name O4 or name O5 or name O6 or name O7 or name O \ 8 or name P1 )))) selection = (chain 'B' and (resid 12 through 188 or (resid 189 and (name N or name CA or nam \ e C or name O or name CB )) or resid 190 through 258 or (resid 259 and (name N o \ r name CA or name C or name O or name CB )) or resid 260 through 277 or (resid 2 \ 78 and (name N or name CA or name C or name O or name CB )) or resid 279 through \ 356 or (resid 357 and (name N or name CA or name C or name O or name CB )) or r \ esid 358 through 509 or (resid 510 through 512 and (name N or name CA or name C \ or name O or name CB )) or resid 513 through 553 or (resid 554 and (name N or na \ me CA or name C or name O or name CB )) or resid 555 through 658 or (resid 659 a \ nd (name N or name CA or name C or name O or name CB )) or resid 660 through 662 \ or (resid 663 through 665 and (name N or name CA or name C or name O or name CB \ )) or resid 666 through 734 or (resid 735 and (name N or name CA or name C or n \ ame O or name CB )) or resid 736 through 812 or (resid 813 through 814 and (name \ N or name CA or name C or name O or name CB )) or resid 815 through 876 or (res \ id 877 through 883 and (name N or name CA or name C or name O or name CB )) or r \ esid 884 through 918 or (resid 919 and (name N or name CA or name C or name O or \ name CB )) or resid 920 through 964 or (resid 965 through 966 and (name N or na \ me CA or name C or name O or name CB )) or resid 967 through 990 or (resid 991 a \ nd (name N or name CA or name C or name O or name CB )) or resid 992 or (resid 9 \ 93 through 1003 and (name N or name CA or name C or name O or name CB )) or (res \ id 1004 through 1027 and (name N or name CA or name C or name O or name CB )) or \ resid 1028 through 1031 or (resid 1032 through 1033 and (name N or name CA or n \ ame C or name O or name CB )) or resid 1034 through 1035 or (resid 1036 through \ 1037 and (name N or name CA or name C or name O or name CB )) or resid 1038 thro \ ugh 1043 or (resid 1044 and (name N or name CA or name C or name O or name CB )) \ or resid 1045 or (resid 1046 through 1047 and (name N or name CA or name C or n \ ame O or name CB )) or resid 1048 through 1220 or (resid 1221 and (name N or nam \ e CA or name C or name O or name CB )) or resid 1222 through 1274 or (resid 1275 \ through 1277 and (name N or name CA or name C or name O or name CB )) or resid \ 1278 through 1442 or (resid 1443 through 1444 and (name N or name CA or name C o \ r name O or name CB )) or resid 1445 through 1457 or (resid 1458 through 1459 an \ d (name N or name CA or name C or name O or name CB )) or resid 1460 through 146 \ 4 or (resid 1465 and (name N or name CA or name C or name O or name CB )) or res \ id 1466 through 1473 or (resid 1474 through 1476 and (name N or name CA or name \ C or name O or name CB )) or resid 1477 through 1582 or (resid 1583 through 1585 \ and (name N or name CA or name C or name O or name CB )) or resid 1586 through \ 1758 or (resid 1759 and (name N or name CA or name C or name O or name CB )) or \ resid 1760 through 1870 or (resid 1871 and (name N or name CA or name C or name \ O or name CB )) or resid 1872 through 2027 or (resid 2028 and (name N or name CA \ or name C or name O or name CB )) or resid 2029 through 2044 or (resid 2045 and \ (name N or name CA or name C or name O or name CB )) or resid 2046 through 4078 \ or (resid 4079 through 4080 and (name N or name CA or name C or name O or name \ CB )) or resid 4081 or (resid 4082 through 4083 and (name N or name CA or name C \ or name O or name CB )) or resid 4084 through 4086 or (resid 4087 and (name N o \ r name CA or name C or name O or name CB )) or resid 4088 or (resid 4089 through \ 4093 and (name N or name CA or name C or name O or name CB )) or resid 4094 thr \ ough 4097 or (resid 4098 and (name N or name CA or name C or name O or name CB ) \ ) or resid 4099 through 4635 or (resid 4636 and (name N or name CA or name C or \ name O or name CB )) or resid 4637 through 4870 or (resid 4871 and (name N or na \ me CA or name C or name O or name CB )) or resid 4872 through 5037 or resid 5101 \ through 5105 or (resid 5107 and (name C1 or name C10 or name C11 or name C12 or \ name C15 or name C18 or name C25 or name C26 or name C27 or name C28 or name C2 \ 9 or name C3 or name C30 or name C31 or name C32 or name C33 or name C34 or name \ C35 or name C36 or name C37 or name C38 or name C39 or name C4 or name C40 or n \ ame C41 or name C42 or name C5 or name C6 or name C7 or name C8 or name C9 or na \ me N1 or name O1 or name O2 or name O3 or name O4 or name O5 or name O6 or name \ O7 or name O8 or name P1 )))) selection = (chain 'C' and (resid 12 through 651 or (resid 652 through 654 and (name N or na \ me CA or name C or name O or name CB )) or resid 655 through 658 or (resid 659 a \ nd (name N or name CA or name C or name O or name CB )) or resid 660 through 662 \ or (resid 663 through 665 and (name N or name CA or name C or name O or name CB \ )) or resid 666 through 777 or (resid 778 and (name N or name CA or name C or n \ ame O or name CB )) or resid 779 through 812 or (resid 813 through 814 and (name \ N or name CA or name C or name O or name CB )) or resid 815 through 918 or (res \ id 919 and (name N or name CA or name C or name O or name CB )) or resid 920 thr \ ough 965 or (resid 966 and (name N or name CA or name C or name O or name CB )) \ or resid 967 through 1031 or (resid 1032 through 1033 and (name N or name CA or \ name C or name O or name CB )) or resid 1034 through 1220 or (resid 1221 and (na \ me N or name CA or name C or name O or name CB )) or resid 1222 through 1442 or \ (resid 1443 through 1444 and (name N or name CA or name C or name O or name CB ) \ ) or resid 1445 through 1583 or (resid 1584 through 1585 and (name N or name CA \ or name C or name O or name CB )) or resid 1586 through 2027 or (resid 2028 and \ (name N or name CA or name C or name O or name CB )) or resid 2029 through 2044 \ or (resid 2045 and (name N or name CA or name C or name O or name CB )) or resid \ 2046 through 2439 or (resid 2440 through 2441 and (name N or name CA or name C \ or name O or name CB )) or resid 2442 through 3660 or (resid 3661 and (name N or \ name CA or name C or name O or name CB )) or resid 3662 through 4078 or (resid \ 4079 through 4080 and (name N or name CA or name C or name O or name CB )) or re \ sid 4081 or (resid 4082 through 4083 and (name N or name CA or name C or name O \ or name CB )) or resid 4084 through 4086 or (resid 4087 and (name N or name CA o \ r name C or name O or name CB )) or resid 4088 or (resid 4089 through 4093 and ( \ name N or name CA or name C or name O or name CB )) or resid 4094 through 4097 o \ r (resid 4098 and (name N or name CA or name C or name O or name CB )) or resid \ 4099 through 4635 or (resid 4636 and (name N or name CA or name C or name O or n \ ame CB )) or resid 4637 through 4870 or (resid 4871 and (name N or name CA or na \ me C or name O or name CB )) or resid 4872 through 5037 or resid 5101 through 51 \ 05 or (resid 5107 and (name C1 or name C10 or name C11 or name C12 or name C15 o \ r name C18 or name C25 or name C26 or name C27 or name C28 or name C29 or name C \ 3 or name C30 or name C31 or name C32 or name C33 or name C34 or name C35 or nam \ e C36 or name C37 or name C38 or name C39 or name C4 or name C40 or name C41 or \ name C42 or name C5 or name C6 or name C7 or name C8 or name C9 or name N1 or na \ me O1 or name O2 or name O3 or name O4 or name O5 or name O6 or name O7 or name \ O8 or name P1 )))) selection = (chain 'D' and (resid 12 through 188 or (resid 189 and (name N or name CA or nam \ e C or name O or name CB )) or resid 190 through 277 or (resid 278 and (name N o \ r name CA or name C or name O or name CB )) or resid 279 through 356 or (resid 3 \ 57 and (name N or name CA or name C or name O or name CB )) or resid 358 through \ 509 or (resid 510 through 512 and (name N or name CA or name C or name O or nam \ e CB )) or resid 513 through 553 or (resid 554 and (name N or name CA or name C \ or name O or name CB )) or resid 555 through 651 or (resid 652 through 654 and ( \ name N or name CA or name C or name O or name CB )) or resid 655 through 734 or \ (resid 735 and (name N or name CA or name C or name O or name CB )) or resid 736 \ through 777 or (resid 778 and (name N or name CA or name C or name O or name CB \ )) or resid 779 through 828 or (resid 829 and (name N or name CA or name C or n \ ame O or name CB )) or resid 830 through 1043 or (resid 1044 and (name N or name \ CA or name C or name O or name CB )) or resid 1045 or (resid 1046 through 1047 \ and (name N or name CA or name C or name O or name CB )) or resid 1048 through 1 \ 457 or (resid 1458 through 1459 and (name N or name CA or name C or name O or na \ me CB )) or resid 1460 through 1482 or (resid 1483 through 1484 and (name N or n \ ame CA or name C or name O or name CB )) or resid 1485 through 2439 or (resid 24 \ 40 through 2441 and (name N or name CA or name C or name O or name CB )) or resi \ d 2442 through 3660 or (resid 3661 and (name N or name CA or name C or name O or \ name CB )) or resid 3662 through 4078 or (resid 4079 through 4080 and (name N o \ r name CA or name C or name O or name CB )) or resid 4081 or (resid 4082 through \ 4083 and (name N or name CA or name C or name O or name CB )) or resid 4084 thr \ ough 4086 or (resid 4087 and (name N or name CA or name C or name O or name CB ) \ ) or resid 4088 or (resid 4089 through 4093 and (name N or name CA or name C or \ name O or name CB )) or resid 4094 through 4097 or (resid 4098 and (name N or na \ me CA or name C or name O or name CB )) or resid 4099 through 4635 or (resid 463 \ 6 and (name N or name CA or name C or name O or name CB )) or resid 4637 through \ 4870 or (resid 4871 and (name N or name CA or name C or name O or name CB )) or \ resid 4872 through 5037 or resid 5101 through 5105 or (resid 5107 and (name C1 \ or name C10 or name C11 or name C12 or name C15 or name C18 or name C25 or name \ C26 or name C27 or name C28 or name C29 or name C3 or name C30 or name C31 or na \ me C32 or name C33 or name C34 or name C35 or name C36 or name C37 or name C38 o \ r name C39 or name C4 or name C40 or name C41 or name C42 or name C5 or name C6 \ or name C7 or name C8 or name C9 or name N1 or name O1 or name O2 or name O3 or \ name O4 or name O5 or name O6 or name O7 or name O8 or name P1 )))) } Set up NCS constraints No NCS constraints will be used in refinement. Set refine NCS operators Adjust number of macro_cycles Number of macro_cycles: 10 Reset NCS operators Extract rigid body selections Check and reset occupancies Occupancies: min=1.00 max=1.00 mean=1.00 Load rotamer database and sin/cos tables Set ADP refinement strategy ADPs will be refined as individual isotropic Make a string to write initial .geo file Internal consistency checks Time: Set random seed: 0.000 Set model cs if undefined: 0.000 Decide on map wrapping: 0.000 Normalize map: mean=0, sd=1: 5.440 Set stop_for_unknowns flag: 0.000 Assert model is a single copy model: 0.000 Assert all atoms have isotropic ADPs: 0.000 Construct map_model_manager: 0.060 Extract box with map and model: 35.960 Check model and map are aligned: 1.260 Set scattering table: 0.800 Process input model: 276.880 Find NCS groups from input model: 11.590 Set up NCS constraints: 0.410 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:2.600 Set ADP refinement strategy: 0.000 Make a string to write initial .geo file:0.000 Internal consistency checks: 0.000 Total: 335.020 ------------------------------------------------------------------------------- Set refinement monitor ********************** ------------------------------------------------------------------------------- Setup refinement engine *********************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.6808 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 : 0.004 0.108 113365 Z= 0.285 Angle : 0.871 16.950 154462 Z= 0.478 Chirality : 0.045 0.293 18087 Planarity : 0.006 0.248 20349 Dihedral : 17.666 179.588 38350 Min Nonbonded Distance : 2.198 Molprobity Statistics. All-atom Clashscore : 7.00 Ramachandran Plot: Outliers : 0.62 % Allowed : 6.10 % Favored : 93.27 % Rotamer: Outliers : 2.38 % Allowed : 21.97 % Favored : 75.66 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -1.01 (0.07), residues: 12368 helix: 0.79 (0.07), residues: 5664 sheet: -0.37 (0.16), residues: 1032 loop : -2.34 (0.07), residues: 5672 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.054 0.002 TRP A3661 HIS 0.046 0.001 HIS C4983 PHE 0.082 0.001 PHE B1871 TYR 0.051 0.001 TYR B 965 ARG 0.018 0.001 ARG A2385 *********************** REFINEMENT MACRO_CYCLE 1 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 24736 Ramachandran restraints generated. 12368 Oldfield, 0 Emsley, 12368 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 24736 Ramachandran restraints generated. 12368 Oldfield, 0 Emsley, 12368 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1953 residues out of total 10876 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 231 poor density : 1722 time to evaluate : 8.195 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: A 80 GLU cc_start: 0.8486 (mt-10) cc_final: 0.8283 (mp0) REVERT: A 246 TYR cc_start: 0.6051 (m-80) cc_final: 0.5801 (m-80) REVERT: A 263 GLU cc_start: 0.6978 (tt0) cc_final: 0.6313 (tm-30) REVERT: A 336 PRO cc_start: 0.8539 (Cg_exo) cc_final: 0.8154 (Cg_endo) REVERT: A 347 PHE cc_start: 0.6463 (m-80) cc_final: 0.6000 (m-80) REVERT: A 421 PHE cc_start: 0.5582 (p90) cc_final: 0.5192 (p90) REVERT: A 1476 MET cc_start: 0.6381 (OUTLIER) cc_final: 0.5952 (ppp) REVERT: A 1579 MET cc_start: 0.6924 (OUTLIER) cc_final: 0.6262 (pmm) REVERT: A 1996 ARG cc_start: 0.7233 (tmm160) cc_final: 0.7033 (ttp80) REVERT: A 2284 ASN cc_start: 0.7948 (OUTLIER) cc_final: 0.7505 (t0) REVERT: A 2285 GLU cc_start: 0.7703 (OUTLIER) cc_final: 0.7477 (tt0) REVERT: A 3652 MET cc_start: 0.7758 (mtt) cc_final: 0.7440 (mmt) REVERT: A 3757 GLU cc_start: 0.6431 (mm-30) cc_final: 0.5979 (mm-30) REVERT: A 3852 LYS cc_start: 0.6689 (OUTLIER) cc_final: 0.6285 (mmtp) REVERT: A 3897 ASN cc_start: 0.6815 (OUTLIER) cc_final: 0.6591 (t0) REVERT: A 4676 GLU cc_start: 0.7244 (mt-10) cc_final: 0.6801 (mm-30) REVERT: A 4949 GLN cc_start: 0.7699 (tp40) cc_final: 0.6695 (mt0) REVERT: A 5002 GLU cc_start: 0.5934 (OUTLIER) cc_final: 0.5411 (mm-30) REVERT: B 263 GLU cc_start: 0.7025 (tt0) cc_final: 0.6331 (tm-30) REVERT: B 336 PRO cc_start: 0.8629 (Cg_exo) cc_final: 0.8284 (Cg_endo) REVERT: B 347 PHE cc_start: 0.6294 (m-80) cc_final: 0.5852 (m-80) REVERT: B 421 PHE cc_start: 0.5686 (p90) cc_final: 0.5257 (p90) REVERT: B 3757 GLU cc_start: 0.6391 (mm-30) cc_final: 0.5558 (mm-30) REVERT: B 3873 LYS cc_start: 0.8071 (OUTLIER) cc_final: 0.7824 (pttp) REVERT: B 3875 MET cc_start: 0.4309 (OUTLIER) cc_final: 0.3848 (ptm) REVERT: B 3897 ASN cc_start: 0.6829 (OUTLIER) cc_final: 0.6596 (t0) REVERT: B 4676 GLU cc_start: 0.7165 (mt-10) cc_final: 0.6729 (mm-30) REVERT: B 4949 GLN cc_start: 0.7664 (tp40) cc_final: 0.6709 (mt0) REVERT: C 263 GLU cc_start: 0.7026 (tt0) cc_final: 0.6393 (tm-30) REVERT: C 336 PRO cc_start: 0.8632 (Cg_exo) cc_final: 0.8278 (Cg_endo) REVERT: C 347 PHE cc_start: 0.6438 (m-80) cc_final: 0.5967 (m-80) REVERT: C 421 PHE cc_start: 0.5737 (p90) cc_final: 0.5308 (p90) REVERT: C 1981 MET cc_start: 0.6227 (mmm) cc_final: 0.5419 (mtt) REVERT: C 2331 TYR cc_start: 0.7803 (m-80) cc_final: 0.7410 (m-10) REVERT: C 3757 GLU cc_start: 0.6406 (mm-30) cc_final: 0.5583 (mm-30) REVERT: C 3873 LYS cc_start: 0.6913 (OUTLIER) cc_final: 0.6688 (pttp) REVERT: C 3897 ASN cc_start: 0.6844 (OUTLIER) cc_final: 0.6632 (t0) REVERT: C 4676 GLU cc_start: 0.7152 (mt-10) cc_final: 0.6731 (mm-30) REVERT: C 4949 GLN cc_start: 0.7678 (tp40) cc_final: 0.6747 (mt0) REVERT: C 5002 GLU cc_start: 0.5738 (OUTLIER) cc_final: 0.5394 (tp30) REVERT: D 263 GLU cc_start: 0.7057 (tt0) cc_final: 0.6399 (tm-30) REVERT: D 336 PRO cc_start: 0.8634 (Cg_exo) cc_final: 0.8286 (Cg_endo) REVERT: D 347 PHE cc_start: 0.6375 (m-80) cc_final: 0.5903 (m-80) REVERT: D 424 LYS cc_start: 0.6445 (tmmt) cc_final: 0.6233 (mppt) REVERT: D 503 PHE cc_start: 0.6729 (m-80) cc_final: 0.6451 (m-10) REVERT: D 1579 MET cc_start: 0.6886 (OUTLIER) cc_final: 0.6366 (pmm) REVERT: D 1981 MET cc_start: 0.6343 (mmm) cc_final: 0.6110 (tpt) REVERT: D 1996 ARG cc_start: 0.7189 (tmm160) cc_final: 0.6989 (ttp80) REVERT: D 3652 MET cc_start: 0.7759 (mtt) cc_final: 0.7441 (mmt) REVERT: D 3757 GLU cc_start: 0.6417 (mm-30) cc_final: 0.5958 (mm-30) REVERT: D 3897 ASN cc_start: 0.6837 (OUTLIER) cc_final: 0.6619 (t0) REVERT: D 4118 ASP cc_start: 0.4543 (OUTLIER) cc_final: 0.4134 (t70) REVERT: D 4676 GLU cc_start: 0.7136 (mt-10) cc_final: 0.6710 (mm-30) REVERT: D 4949 GLN cc_start: 0.7673 (tp40) cc_final: 0.6710 (mt0) REVERT: D 5002 GLU cc_start: 0.5757 (OUTLIER) cc_final: 0.5476 (tp30) outliers start: 231 outliers final: 50 residues processed: 1892 average time/residue: 0.9352 time to fit residues: 3110.2124 Evaluate side-chains 1129 residues out of total 10876 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 67 poor density : 1062 time to evaluate : 8.911 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 554 LEU Chi-restraints excluded: chain A residue 1289 LEU Chi-restraints excluded: chain A residue 1476 MET Chi-restraints excluded: chain A residue 1483 VAL Chi-restraints excluded: chain A residue 1579 MET Chi-restraints excluded: chain A residue 1812 LEU Chi-restraints excluded: chain A residue 2249 SER Chi-restraints excluded: chain A residue 2284 ASN Chi-restraints excluded: chain A residue 2285 GLU Chi-restraints excluded: chain A residue 2288 LEU Chi-restraints excluded: chain A residue 2476 ILE Chi-restraints excluded: chain A residue 3852 LYS Chi-restraints excluded: chain A residue 3869 GLN Chi-restraints excluded: chain A residue 3873 LYS Chi-restraints excluded: chain A residue 3897 ASN Chi-restraints excluded: chain A residue 4018 ASP Chi-restraints excluded: chain A residue 4069 LYS Chi-restraints excluded: chain A residue 4088 ILE Chi-restraints excluded: chain A residue 4180 ARG Chi-restraints excluded: chain A residue 5002 GLU Chi-restraints excluded: chain B residue 259 LEU Chi-restraints excluded: chain B residue 554 LEU Chi-restraints excluded: chain B residue 993 HIS Chi-restraints excluded: chain B residue 1288 PHE Chi-restraints excluded: chain B residue 2474 LEU Chi-restraints excluded: chain B residue 3669 PHE Chi-restraints excluded: chain B residue 3873 LYS Chi-restraints excluded: chain B residue 3874 VAL Chi-restraints excluded: chain B residue 3875 MET Chi-restraints excluded: chain B residue 3897 ASN Chi-restraints excluded: chain B residue 4018 ASP Chi-restraints excluded: chain B residue 4069 LYS Chi-restraints excluded: chain B residue 4081 VAL Chi-restraints excluded: chain B residue 4092 ASP Chi-restraints excluded: chain B residue 4180 ARG Chi-restraints excluded: chain B residue 4697 VAL Chi-restraints excluded: chain C residue 652 ARG Chi-restraints excluded: chain C residue 1291 LEU Chi-restraints excluded: chain C residue 1812 LEU Chi-restraints excluded: chain C residue 2476 ILE Chi-restraints excluded: chain C residue 3661 TRP Chi-restraints excluded: chain C residue 3669 PHE Chi-restraints excluded: chain C residue 3873 LYS Chi-restraints excluded: chain C residue 3897 ASN Chi-restraints excluded: chain C residue 4018 ASP Chi-restraints excluded: chain C residue 4069 LYS Chi-restraints excluded: chain C residue 4081 VAL Chi-restraints excluded: chain C residue 4092 ASP Chi-restraints excluded: chain C residue 4181 ILE Chi-restraints excluded: chain C residue 4983 HIS Chi-restraints excluded: chain C residue 5002 GLU Chi-restraints excluded: chain D residue 28 VAL Chi-restraints excluded: chain D residue 554 LEU Chi-restraints excluded: chain D residue 1113 VAL Chi-restraints excluded: chain D residue 1288 PHE Chi-restraints excluded: chain D residue 1579 MET Chi-restraints excluded: chain D residue 3870 ASN Chi-restraints excluded: chain D residue 3872 GLU Chi-restraints excluded: chain D residue 3874 VAL Chi-restraints excluded: chain D residue 3897 ASN Chi-restraints excluded: chain D residue 4018 ASP Chi-restraints excluded: chain D residue 4069 LYS Chi-restraints excluded: chain D residue 4081 VAL Chi-restraints excluded: chain D residue 4092 ASP Chi-restraints excluded: chain D residue 4118 ASP Chi-restraints excluded: chain D residue 4180 ARG Chi-restraints excluded: chain D residue 5002 GLU Rotamers are restrained with sigma=5.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 0 random chunks: chunk None optimal weight: 5.9990 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 12 GLN A 57 ASN A 105 HIS A 151 HIS A 278 GLN ** A 308 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A 413 GLN A 593 HIS ** A 624 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 725 HIS ** A 765 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A 848 HIS ** A1165 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A1201 HIS ** A1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1443 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A1614 GLN ** A2005 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A2035 HIS ** A2107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A2193 GLN ** A2260 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A3667 HIS A3683 GLN A3771 HIS A3814 GLN ** A3895 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A3970 GLN A3994 HIS A4109 GLN A4120 ASN A4216 GLN ** A4806 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A4832 HIS A4864 ASN ** A4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A5003 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 12 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 57 ASN B 105 HIS B 151 HIS B 278 GLN B 308 HIS B 413 GLN B 593 HIS ** B 624 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B 725 HIS ** B 765 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 848 HIS B 877 ASN ** B 879 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1127 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1165 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B1201 HIS B1458 HIS B1614 GLN ** B2005 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B2032 GLN B2035 HIS ** B2107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B2193 GLN ** B2260 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B2351 ASN B3814 GLN ** B3895 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B3970 GLN B3994 HIS B4109 GLN B4120 ASN B4216 GLN ** B4806 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B5003 HIS C 12 GLN C 57 ASN C 105 HIS C 151 HIS ** C 308 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C 413 GLN C 593 HIS ** C 624 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 725 HIS ** C 765 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 848 HIS ** C1127 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1165 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C1201 HIS ** C1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C1614 GLN ** C2005 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C2032 GLN C2035 HIS ** C2107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C2193 GLN ** C2260 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C2351 ASN C3771 HIS C3814 GLN C3867 ASN ** C3895 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C3970 GLN C3994 HIS C4109 GLN C4120 ASN C4216 GLN ** C4806 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C4832 HIS ** C4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C5003 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 12 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D 57 ASN D 79 GLN D 105 HIS D 151 HIS D 308 HIS D 413 GLN D 593 HIS ** D 624 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D 725 HIS ** D 765 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D 848 HIS ** D1127 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1165 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D1201 HIS ** D1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D1614 GLN ** D2005 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D2035 HIS ** D2107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D2193 GLN ** D2260 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D2351 ASN D3814 GLN ** D3867 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3895 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D3970 GLN D3994 HIS D4109 GLN D4120 ASN D4216 GLN ** D4806 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D5003 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 91 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7771 moved from start: 0.6453 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.060 0.694 113365 Z= 3.880 Angle : 2.907 46.547 154462 Z= 1.538 Chirality : 0.190 1.406 18087 Planarity : 0.021 0.472 20349 Dihedral : 13.222 179.658 17166 Min Nonbonded Distance : 1.491 Molprobity Statistics. All-atom Clashscore : 42.19 Ramachandran Plot: Outliers : 2.94 % Allowed : 14.78 % Favored : 82.28 % Rotamer: Outliers : 16.51 % Allowed : 20.89 % Favored : 62.60 % Cbeta Deviations : 1.13 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 4.08 % Twisted General : 1.19 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -5.40 (0.06), residues: 12368 helix: -3.51 (0.05), residues: 5676 sheet: -2.33 (0.13), residues: 1216 loop : -3.92 (0.07), residues: 5476 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.066 0.012 TRP A5019 HIS 0.069 0.008 HIS A4983 PHE 0.095 0.014 PHE C5028 TYR 0.071 0.013 TYR C3922 ARG 0.045 0.004 ARG C4192 *********************** REFINEMENT MACRO_CYCLE 2 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 24736 Ramachandran restraints generated. 12368 Oldfield, 0 Emsley, 12368 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 24736 Ramachandran restraints generated. 12368 Oldfield, 0 Emsley, 12368 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 2551 residues out of total 10876 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 1605 poor density : 946 time to evaluate : 8.742 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 18 ASP cc_start: 0.7316 (OUTLIER) cc_final: 0.7006 (p0) REVERT: A 69 LEU cc_start: 0.7980 (OUTLIER) cc_final: 0.7716 (mt) REVERT: A 99 ARG cc_start: 0.6751 (OUTLIER) cc_final: 0.6502 (ttt180) REVERT: A 127 MET cc_start: 0.5807 (ttp) cc_final: 0.5591 (ttp) REVERT: A 334 MET cc_start: 0.7251 (mmm) cc_final: 0.6793 (mmp) REVERT: A 374 LYS cc_start: 0.6896 (OUTLIER) cc_final: 0.6561 (ptpp) REVERT: A 420 SER cc_start: 0.7612 (OUTLIER) cc_final: 0.7060 (m) REVERT: A 424 LYS cc_start: 0.7139 (tmtt) cc_final: 0.6732 (mptt) REVERT: A 477 LEU cc_start: 0.8325 (OUTLIER) cc_final: 0.8044 (mt) REVERT: A 481 GLU cc_start: 0.8000 (OUTLIER) cc_final: 0.7441 (mp0) REVERT: A 505 GLU cc_start: 0.6686 (OUTLIER) cc_final: 0.6347 (mp0) REVERT: A 510 GLU cc_start: 0.7229 (OUTLIER) cc_final: 0.6818 (mm-30) REVERT: A 575 LEU cc_start: 0.8858 (OUTLIER) cc_final: 0.8618 (mp) REVERT: A 625 LEU cc_start: 0.5677 (OUTLIER) cc_final: 0.5053 (tp) REVERT: A 629 ARG cc_start: 0.8514 (OUTLIER) cc_final: 0.6854 (mmt90) REVERT: A 663 TYR cc_start: 0.3112 (OUTLIER) cc_final: 0.0759 (t80) REVERT: A 683 ARG cc_start: 0.6039 (OUTLIER) cc_final: 0.4810 (mtt180) REVERT: A 686 TRP cc_start: 0.6316 (m100) cc_final: 0.6021 (m100) REVERT: A 693 SER cc_start: 0.7357 (OUTLIER) cc_final: 0.6858 (t) REVERT: A 800 PHE cc_start: 0.6494 (OUTLIER) cc_final: 0.6065 (m-10) REVERT: A 933 LEU cc_start: 0.5403 (OUTLIER) cc_final: 0.4963 (pp) REVERT: A 961 MET cc_start: 0.4901 (mtt) cc_final: 0.4083 (ptt) REVERT: A 1122 TYR cc_start: 0.7697 (m-80) cc_final: 0.7222 (m-10) REVERT: A 1131 ARG cc_start: 0.7519 (OUTLIER) cc_final: 0.7314 (ptt180) REVERT: A 1137 GLU cc_start: 0.7709 (OUTLIER) cc_final: 0.7194 (mm-30) REVERT: A 1271 ARG cc_start: 0.7561 (OUTLIER) cc_final: 0.7104 (ttp-110) REVERT: A 1296 GLN cc_start: 0.6328 (OUTLIER) cc_final: 0.6045 (pm20) REVERT: A 1467 SER cc_start: 0.5339 (OUTLIER) cc_final: 0.4789 (t) REVERT: A 1624 LEU cc_start: 0.6084 (OUTLIER) cc_final: 0.5864 (tt) REVERT: A 1654 SER cc_start: 0.8462 (OUTLIER) cc_final: 0.8181 (t) REVERT: A 1700 ASP cc_start: 0.8555 (OUTLIER) cc_final: 0.8160 (m-30) REVERT: A 1733 GLU cc_start: 0.8218 (OUTLIER) cc_final: 0.6677 (mp0) REVERT: A 1765 VAL cc_start: 0.6478 (OUTLIER) cc_final: 0.6146 (m) REVERT: A 2039 LEU cc_start: 0.8581 (OUTLIER) cc_final: 0.8132 (mp) REVERT: A 2045 GLN cc_start: 0.6754 (OUTLIER) cc_final: 0.6354 (pm20) REVERT: A 2092 GLN cc_start: 0.7634 (mm-40) cc_final: 0.7247 (mm-40) REVERT: A 2165 LEU cc_start: 0.9099 (OUTLIER) cc_final: 0.8883 (tt) REVERT: A 2170 MET cc_start: 0.7596 (OUTLIER) cc_final: 0.6665 (tmm) REVERT: A 2244 ARG cc_start: 0.8054 (OUTLIER) cc_final: 0.7356 (mtp85) REVERT: A 2284 ASN cc_start: 0.7729 (OUTLIER) cc_final: 0.7015 (t0) REVERT: A 2295 LEU cc_start: 0.7927 (OUTLIER) cc_final: 0.7580 (mm) REVERT: A 2336 ARG cc_start: 0.8610 (OUTLIER) cc_final: 0.7513 (tmt-80) REVERT: A 3758 MET cc_start: 0.7580 (tpp) cc_final: 0.7161 (tpp) REVERT: A 3837 GLN cc_start: 0.8979 (OUTLIER) cc_final: 0.8215 (mm-40) REVERT: A 3916 ILE cc_start: 0.8832 (OUTLIER) cc_final: 0.8555 (mp) REVERT: A 4015 GLU cc_start: 0.7865 (OUTLIER) cc_final: 0.7605 (mm-30) REVERT: A 4110 PHE cc_start: 0.2740 (OUTLIER) cc_final: 0.1529 (m-80) REVERT: A 4135 PRO cc_start: 0.7718 (OUTLIER) cc_final: 0.7419 (Cg_endo) REVERT: A 4202 ARG cc_start: 0.8386 (OUTLIER) cc_final: 0.8119 (ttm170) REVERT: A 4796 MET cc_start: 0.8873 (OUTLIER) cc_final: 0.7974 (tpt) REVERT: A 4957 LYS cc_start: 0.8720 (OUTLIER) cc_final: 0.8374 (mmmm) REVERT: B 18 ASP cc_start: 0.7339 (OUTLIER) cc_final: 0.7025 (p0) REVERT: B 69 LEU cc_start: 0.7950 (OUTLIER) cc_final: 0.7704 (mt) REVERT: B 127 MET cc_start: 0.5839 (ttp) cc_final: 0.5635 (ttp) REVERT: B 199 LEU cc_start: 0.8891 (mp) cc_final: 0.8488 (mt) REVERT: B 334 MET cc_start: 0.7226 (mmm) cc_final: 0.6779 (mmp) REVERT: B 374 LYS cc_start: 0.6864 (OUTLIER) cc_final: 0.6574 (ptpp) REVERT: B 420 SER cc_start: 0.7595 (OUTLIER) cc_final: 0.7240 (m) REVERT: B 505 GLU cc_start: 0.6688 (OUTLIER) cc_final: 0.6372 (mp0) REVERT: B 575 LEU cc_start: 0.8864 (OUTLIER) cc_final: 0.8625 (mp) REVERT: B 625 LEU cc_start: 0.5648 (OUTLIER) cc_final: 0.5029 (tp) REVERT: B 629 ARG cc_start: 0.8519 (OUTLIER) cc_final: 0.6823 (mmt90) REVERT: B 663 TYR cc_start: 0.3263 (OUTLIER) cc_final: 0.1009 (t80) REVERT: B 683 ARG cc_start: 0.6043 (OUTLIER) cc_final: 0.4797 (mtt180) REVERT: B 686 TRP cc_start: 0.6152 (m100) cc_final: 0.5873 (m100) REVERT: B 693 SER cc_start: 0.7259 (OUTLIER) cc_final: 0.6767 (t) REVERT: B 800 PHE cc_start: 0.6462 (OUTLIER) cc_final: 0.6019 (m-10) REVERT: B 933 LEU cc_start: 0.5399 (OUTLIER) cc_final: 0.5000 (pp) REVERT: B 961 MET cc_start: 0.4994 (mtt) cc_final: 0.4253 (ptt) REVERT: B 977 LEU cc_start: 0.2398 (OUTLIER) cc_final: 0.2175 (tp) REVERT: B 1122 TYR cc_start: 0.7698 (m-80) cc_final: 0.7209 (m-10) REVERT: B 1128 ARG cc_start: 0.8490 (mmm160) cc_final: 0.8209 (tpp80) REVERT: B 1131 ARG cc_start: 0.7536 (OUTLIER) cc_final: 0.6960 (ptt180) REVERT: B 1137 GLU cc_start: 0.7721 (OUTLIER) cc_final: 0.7136 (mm-30) REVERT: B 1230 MET cc_start: 0.7637 (mmm) cc_final: 0.7269 (mmm) REVERT: B 1256 GLU cc_start: 0.6662 (OUTLIER) cc_final: 0.6451 (mm-30) REVERT: B 1271 ARG cc_start: 0.7554 (OUTLIER) cc_final: 0.7063 (ttp-110) REVERT: B 1296 GLN cc_start: 0.6382 (OUTLIER) cc_final: 0.6094 (pm20) REVERT: B 1467 SER cc_start: 0.5210 (OUTLIER) cc_final: 0.4691 (t) REVERT: B 1624 LEU cc_start: 0.6090 (OUTLIER) cc_final: 0.5622 (mp) REVERT: B 1654 SER cc_start: 0.8459 (OUTLIER) cc_final: 0.8230 (t) REVERT: B 1700 ASP cc_start: 0.8556 (OUTLIER) cc_final: 0.8164 (m-30) REVERT: B 1733 GLU cc_start: 0.8176 (OUTLIER) cc_final: 0.6657 (mp0) REVERT: B 1765 VAL cc_start: 0.6550 (OUTLIER) cc_final: 0.6168 (m) REVERT: B 2039 LEU cc_start: 0.8687 (OUTLIER) cc_final: 0.8199 (mp) REVERT: B 2045 GLN cc_start: 0.6756 (OUTLIER) cc_final: 0.6318 (pm20) REVERT: B 2092 GLN cc_start: 0.7707 (mm-40) cc_final: 0.7317 (mm-40) REVERT: B 2165 LEU cc_start: 0.9094 (OUTLIER) cc_final: 0.8881 (tt) REVERT: B 2170 MET cc_start: 0.7600 (OUTLIER) cc_final: 0.6675 (tmm) REVERT: B 2244 ARG cc_start: 0.8127 (OUTLIER) cc_final: 0.7433 (mtp85) REVERT: B 2295 LEU cc_start: 0.7917 (OUTLIER) cc_final: 0.7566 (mm) REVERT: B 2336 ARG cc_start: 0.8615 (OUTLIER) cc_final: 0.7526 (tmt-80) REVERT: B 2377 LEU cc_start: 0.5392 (OUTLIER) cc_final: 0.5186 (mm) REVERT: B 3758 MET cc_start: 0.7570 (tpp) cc_final: 0.7146 (tpp) REVERT: B 3837 GLN cc_start: 0.8980 (OUTLIER) cc_final: 0.8220 (mm-40) REVERT: B 3916 ILE cc_start: 0.8828 (OUTLIER) cc_final: 0.8552 (mp) REVERT: B 4110 PHE cc_start: 0.2690 (OUTLIER) cc_final: 0.1458 (m-80) REVERT: B 4135 PRO cc_start: 0.7668 (OUTLIER) cc_final: 0.7347 (Cg_endo) REVERT: B 4796 MET cc_start: 0.8885 (OUTLIER) cc_final: 0.7976 (tpt) REVERT: B 4957 LYS cc_start: 0.8714 (OUTLIER) cc_final: 0.8386 (mmmm) REVERT: B 4989 MET cc_start: 0.9203 (OUTLIER) cc_final: 0.8697 (tmm) REVERT: B 5002 GLU cc_start: 0.7579 (OUTLIER) cc_final: 0.6944 (mm-30) REVERT: C 18 ASP cc_start: 0.7344 (OUTLIER) cc_final: 0.7016 (p0) REVERT: C 69 LEU cc_start: 0.7958 (OUTLIER) cc_final: 0.7703 (mt) REVERT: C 127 MET cc_start: 0.5835 (ttp) cc_final: 0.5633 (ttp) REVERT: C 334 MET cc_start: 0.7251 (mmm) cc_final: 0.6790 (mmp) REVERT: C 374 LYS cc_start: 0.6870 (OUTLIER) cc_final: 0.6594 (ptpp) REVERT: C 420 SER cc_start: 0.7590 (OUTLIER) cc_final: 0.7094 (m) REVERT: C 424 LYS cc_start: 0.7108 (tmtt) cc_final: 0.6703 (mptt) REVERT: C 477 LEU cc_start: 0.8317 (OUTLIER) cc_final: 0.8045 (mt) REVERT: C 481 GLU cc_start: 0.8008 (OUTLIER) cc_final: 0.7432 (mp0) REVERT: C 505 GLU cc_start: 0.6683 (OUTLIER) cc_final: 0.6318 (mp0) REVERT: C 575 LEU cc_start: 0.8869 (OUTLIER) cc_final: 0.8626 (mp) REVERT: C 625 LEU cc_start: 0.5626 (OUTLIER) cc_final: 0.5023 (tp) REVERT: C 629 ARG cc_start: 0.8510 (OUTLIER) cc_final: 0.6789 (mmt90) REVERT: C 652 ARG cc_start: 0.6097 (OUTLIER) cc_final: 0.4292 (ttp-110) REVERT: C 663 TYR cc_start: 0.3235 (OUTLIER) cc_final: 0.0976 (t80) REVERT: C 683 ARG cc_start: 0.6006 (OUTLIER) cc_final: 0.4783 (mtt180) REVERT: C 686 TRP cc_start: 0.6236 (m100) cc_final: 0.5669 (m100) REVERT: C 693 SER cc_start: 0.7277 (OUTLIER) cc_final: 0.6781 (t) REVERT: C 800 PHE cc_start: 0.6640 (OUTLIER) cc_final: 0.6149 (m-80) REVERT: C 933 LEU cc_start: 0.5308 (OUTLIER) cc_final: 0.4909 (pp) REVERT: C 961 MET cc_start: 0.5024 (mtt) cc_final: 0.4162 (ptt) REVERT: C 977 LEU cc_start: 0.2732 (OUTLIER) cc_final: 0.2397 (tp) REVERT: C 1122 TYR cc_start: 0.7685 (m-80) cc_final: 0.7207 (m-10) REVERT: C 1131 ARG cc_start: 0.7532 (OUTLIER) cc_final: 0.7326 (ptt180) REVERT: C 1137 GLU cc_start: 0.7708 (OUTLIER) cc_final: 0.7175 (mm-30) REVERT: C 1230 MET cc_start: 0.7628 (mmm) cc_final: 0.7259 (mmm) REVERT: C 1271 ARG cc_start: 0.7552 (OUTLIER) cc_final: 0.6954 (ttp-110) REVERT: C 1289 LEU cc_start: 0.8526 (OUTLIER) cc_final: 0.8202 (mp) REVERT: C 1296 GLN cc_start: 0.6408 (OUTLIER) cc_final: 0.6127 (pm20) REVERT: C 1467 SER cc_start: 0.5303 (OUTLIER) cc_final: 0.4751 (t) REVERT: C 1580 PHE cc_start: 0.8395 (OUTLIER) cc_final: 0.6751 (t80) REVERT: C 1624 LEU cc_start: 0.6018 (OUTLIER) cc_final: 0.5725 (tt) REVERT: C 1654 SER cc_start: 0.8451 (OUTLIER) cc_final: 0.8246 (t) REVERT: C 1700 ASP cc_start: 0.8554 (OUTLIER) cc_final: 0.8185 (m-30) REVERT: C 1733 GLU cc_start: 0.8185 (OUTLIER) cc_final: 0.6652 (mp0) REVERT: C 1765 VAL cc_start: 0.6569 (OUTLIER) cc_final: 0.6211 (m) REVERT: C 2045 GLN cc_start: 0.6729 (OUTLIER) cc_final: 0.6327 (pm20) REVERT: C 2092 GLN cc_start: 0.7659 (mm-40) cc_final: 0.7268 (mm-40) REVERT: C 2165 LEU cc_start: 0.9086 (OUTLIER) cc_final: 0.8875 (tt) REVERT: C 2170 MET cc_start: 0.7633 (OUTLIER) cc_final: 0.6621 (tmm) REVERT: C 2244 ARG cc_start: 0.8097 (OUTLIER) cc_final: 0.7425 (mtp85) REVERT: C 2295 LEU cc_start: 0.7903 (OUTLIER) cc_final: 0.7547 (mm) REVERT: C 2336 ARG cc_start: 0.8608 (OUTLIER) cc_final: 0.7503 (tmt-80) REVERT: C 3669 PHE cc_start: 0.8658 (OUTLIER) cc_final: 0.8366 (p90) REVERT: C 3758 MET cc_start: 0.7569 (tpp) cc_final: 0.7153 (tpp) REVERT: C 3837 GLN cc_start: 0.8984 (OUTLIER) cc_final: 0.8236 (mm-40) REVERT: C 3873 LYS cc_start: 0.8207 (mtmp) cc_final: 0.7715 (tppt) REVERT: C 3916 ILE cc_start: 0.8842 (OUTLIER) cc_final: 0.8568 (mp) REVERT: C 4110 PHE cc_start: 0.2698 (OUTLIER) cc_final: 0.1484 (m-80) REVERT: C 4135 PRO cc_start: 0.7672 (OUTLIER) cc_final: 0.7348 (Cg_endo) REVERT: C 4957 LYS cc_start: 0.8701 (OUTLIER) cc_final: 0.8412 (tptm) REVERT: C 4989 MET cc_start: 0.9232 (OUTLIER) cc_final: 0.8700 (tmm) REVERT: D 18 ASP cc_start: 0.7338 (OUTLIER) cc_final: 0.7022 (p0) REVERT: D 69 LEU cc_start: 0.7957 (OUTLIER) cc_final: 0.7705 (mt) REVERT: D 127 MET cc_start: 0.5833 (ttp) cc_final: 0.5629 (ttp) REVERT: D 334 MET cc_start: 0.7312 (mmm) cc_final: 0.6866 (mmp) REVERT: D 374 LYS cc_start: 0.6852 (OUTLIER) cc_final: 0.6585 (ptpp) REVERT: D 420 SER cc_start: 0.7557 (OUTLIER) cc_final: 0.7153 (m) REVERT: D 477 LEU cc_start: 0.8326 (OUTLIER) cc_final: 0.8056 (mt) REVERT: D 481 GLU cc_start: 0.8005 (OUTLIER) cc_final: 0.7431 (mp0) REVERT: D 505 GLU cc_start: 0.6673 (OUTLIER) cc_final: 0.6294 (mp0) REVERT: D 575 LEU cc_start: 0.8876 (OUTLIER) cc_final: 0.8629 (mp) REVERT: D 625 LEU cc_start: 0.5746 (OUTLIER) cc_final: 0.5049 (tp) REVERT: D 629 ARG cc_start: 0.8530 (OUTLIER) cc_final: 0.6698 (mmt90) REVERT: D 645 ARG cc_start: 0.5951 (OUTLIER) cc_final: 0.5661 (ttp-170) REVERT: D 686 TRP cc_start: 0.6135 (m100) cc_final: 0.5596 (m100) REVERT: D 693 SER cc_start: 0.7109 (OUTLIER) cc_final: 0.6622 (t) REVERT: D 800 PHE cc_start: 0.6404 (OUTLIER) cc_final: 0.6006 (m-10) REVERT: D 961 MET cc_start: 0.4659 (mtt) cc_final: 0.4107 (ptt) REVERT: D 977 LEU cc_start: 0.3293 (OUTLIER) cc_final: 0.2676 (tp) REVERT: D 1122 TYR cc_start: 0.7650 (m-80) cc_final: 0.7082 (m-10) REVERT: D 1131 ARG cc_start: 0.7344 (OUTLIER) cc_final: 0.6877 (ptt180) REVERT: D 1137 GLU cc_start: 0.7843 (OUTLIER) cc_final: 0.7363 (mm-30) REVERT: D 1152 MET cc_start: 0.7499 (mmm) cc_final: 0.7248 (mmp) REVERT: D 1241 SER cc_start: 0.8473 (OUTLIER) cc_final: 0.8265 (p) REVERT: D 1271 ARG cc_start: 0.7543 (OUTLIER) cc_final: 0.6702 (ttp-110) REVERT: D 1296 GLN cc_start: 0.6397 (OUTLIER) cc_final: 0.6089 (pm20) REVERT: D 1624 LEU cc_start: 0.6044 (OUTLIER) cc_final: 0.5780 (tt) REVERT: D 1700 ASP cc_start: 0.8566 (OUTLIER) cc_final: 0.8159 (m-30) REVERT: D 1733 GLU cc_start: 0.8217 (OUTLIER) cc_final: 0.6683 (mp0) REVERT: D 1765 VAL cc_start: 0.6551 (OUTLIER) cc_final: 0.6249 (m) REVERT: D 2039 LEU cc_start: 0.8666 (OUTLIER) cc_final: 0.8194 (mp) REVERT: D 2092 GLN cc_start: 0.7650 (mm-40) cc_final: 0.7265 (mm-40) REVERT: D 2165 LEU cc_start: 0.9099 (OUTLIER) cc_final: 0.8883 (tt) REVERT: D 2170 MET cc_start: 0.7631 (OUTLIER) cc_final: 0.6609 (tmm) REVERT: D 2244 ARG cc_start: 0.8129 (OUTLIER) cc_final: 0.7415 (mtp85) REVERT: D 2295 LEU cc_start: 0.7909 (OUTLIER) cc_final: 0.7552 (mm) REVERT: D 2336 ARG cc_start: 0.8620 (OUTLIER) cc_final: 0.7528 (tmt-80) REVERT: D 3758 MET cc_start: 0.7586 (tpp) cc_final: 0.7179 (tpp) REVERT: D 3916 ILE cc_start: 0.8836 (OUTLIER) cc_final: 0.8580 (mp) REVERT: D 4110 PHE cc_start: 0.2674 (OUTLIER) cc_final: 0.1476 (m-80) REVERT: D 4135 PRO cc_start: 0.7662 (OUTLIER) cc_final: 0.7343 (Cg_endo) REVERT: D 4957 LYS cc_start: 0.8693 (OUTLIER) cc_final: 0.8388 (tptm) outliers start: 1605 outliers final: 943 residues processed: 2378 average time/residue: 0.8947 time to fit residues: 3816.8555 Evaluate side-chains 1969 residues out of total 10876 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 1102 poor density : 867 time to evaluate : 8.686 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 13 PHE Chi-restraints excluded: chain A residue 18 ASP Chi-restraints excluded: chain A residue 24 CYS Chi-restraints excluded: chain A residue 28 VAL Chi-restraints excluded: chain A residue 46 LEU Chi-restraints excluded: chain A residue 47 CYS Chi-restraints excluded: chain A residue 54 ASN Chi-restraints excluded: chain A residue 66 CYS Chi-restraints excluded: chain A residue 69 LEU Chi-restraints excluded: chain A residue 75 VAL Chi-restraints excluded: chain A residue 78 LEU Chi-restraints excluded: chain A residue 99 ARG Chi-restraints excluded: chain A residue 109 LEU Chi-restraints excluded: chain A residue 115 ARG Chi-restraints excluded: chain A residue 119 SER Chi-restraints excluded: chain A residue 134 ASP Chi-restraints excluded: chain A residue 135 VAL Chi-restraints excluded: chain A residue 149 THR Chi-restraints excluded: chain A residue 156 GLN Chi-restraints excluded: chain A residue 184 THR Chi-restraints excluded: chain A residue 188 GLU Chi-restraints excluded: chain A residue 190 GLN Chi-restraints excluded: chain A residue 210 GLU Chi-restraints excluded: chain A residue 215 THR Chi-restraints excluded: chain A residue 220 LEU Chi-restraints excluded: chain A residue 232 THR Chi-restraints excluded: chain A residue 252 VAL Chi-restraints excluded: chain A residue 255 HIS Chi-restraints excluded: chain A residue 258 SER Chi-restraints excluded: chain A residue 272 SER Chi-restraints excluded: chain A residue 286 THR Chi-restraints excluded: chain A residue 291 LEU Chi-restraints excluded: chain A residue 305 CYS Chi-restraints excluded: chain A residue 309 THR Chi-restraints excluded: chain A residue 312 THR Chi-restraints excluded: chain A residue 315 CYS Chi-restraints excluded: chain A residue 318 VAL Chi-restraints excluded: chain A residue 320 LYS Chi-restraints excluded: chain A residue 339 ILE Chi-restraints excluded: chain A residue 346 CYS Chi-restraints excluded: chain A residue 358 THR Chi-restraints excluded: chain A residue 363 ASP Chi-restraints excluded: chain A residue 374 LYS Chi-restraints excluded: chain A residue 384 MET Chi-restraints excluded: chain A residue 391 THR Chi-restraints excluded: chain A residue 397 GLU Chi-restraints excluded: chain A residue 404 ILE Chi-restraints excluded: chain A residue 405 HIS Chi-restraints excluded: chain A residue 413 GLN Chi-restraints excluded: chain A residue 420 SER Chi-restraints excluded: chain A residue 441 VAL Chi-restraints excluded: chain A residue 442 ILE Chi-restraints excluded: chain A residue 447 ASP Chi-restraints excluded: chain A residue 448 LEU Chi-restraints excluded: chain A residue 470 SER Chi-restraints excluded: chain A residue 477 LEU Chi-restraints excluded: chain A residue 481 GLU Chi-restraints excluded: chain A residue 494 LEU Chi-restraints excluded: chain A residue 505 GLU Chi-restraints excluded: chain A residue 510 GLU Chi-restraints excluded: chain A residue 530 ILE Chi-restraints excluded: chain A residue 533 ASN Chi-restraints excluded: chain A residue 540 PHE Chi-restraints excluded: chain A residue 547 VAL Chi-restraints excluded: chain A residue 560 ILE Chi-restraints excluded: chain A residue 569 ILE Chi-restraints excluded: chain A residue 575 LEU Chi-restraints excluded: chain A residue 578 ILE Chi-restraints excluded: chain A residue 621 ILE Chi-restraints excluded: chain A residue 625 LEU Chi-restraints excluded: chain A residue 629 ARG Chi-restraints excluded: chain A residue 635 THR Chi-restraints excluded: chain A residue 637 LEU Chi-restraints excluded: chain A residue 663 TYR Chi-restraints excluded: chain A residue 667 MET Chi-restraints excluded: chain A residue 672 VAL Chi-restraints excluded: chain A residue 675 LEU Chi-restraints excluded: chain A residue 682 LEU Chi-restraints excluded: chain A residue 683 ARG Chi-restraints excluded: chain A residue 684 VAL Chi-restraints excluded: chain A residue 693 SER Chi-restraints excluded: chain A residue 705 ASN Chi-restraints excluded: chain A residue 707 VAL Chi-restraints excluded: chain A residue 723 THR Chi-restraints excluded: chain A residue 725 HIS Chi-restraints excluded: chain A residue 730 VAL Chi-restraints excluded: chain A residue 752 VAL Chi-restraints excluded: chain A residue 760 ASN Chi-restraints excluded: chain A residue 773 LEU Chi-restraints excluded: chain A residue 800 PHE Chi-restraints excluded: chain A residue 821 LEU Chi-restraints excluded: chain A residue 826 ILE Chi-restraints excluded: chain A residue 840 VAL Chi-restraints excluded: chain A residue 932 LEU Chi-restraints excluded: chain A residue 933 LEU Chi-restraints excluded: chain A residue 974 HIS Chi-restraints excluded: chain A residue 1072 VAL Chi-restraints excluded: chain A residue 1074 ILE Chi-restraints excluded: chain A residue 1113 VAL Chi-restraints excluded: chain A residue 1114 GLU Chi-restraints excluded: chain A residue 1123 VAL Chi-restraints excluded: chain A residue 1131 ARG Chi-restraints excluded: chain A residue 1137 GLU Chi-restraints excluded: chain A residue 1139 PHE Chi-restraints excluded: chain A residue 1147 ASP Chi-restraints excluded: chain A residue 1154 ASP Chi-restraints excluded: chain A residue 1155 LEU Chi-restraints excluded: chain A residue 1158 ASN Chi-restraints excluded: chain A residue 1163 THR Chi-restraints excluded: chain A residue 1168 VAL Chi-restraints excluded: chain A residue 1171 SER Chi-restraints excluded: chain A residue 1173 SER Chi-restraints excluded: chain A residue 1190 PRO Chi-restraints excluded: chain A residue 1192 CYS Chi-restraints excluded: chain A residue 1202 LEU Chi-restraints excluded: chain A residue 1204 LEU Chi-restraints excluded: chain A residue 1208 VAL Chi-restraints excluded: chain A residue 1228 ILE Chi-restraints excluded: chain A residue 1229 ASN Chi-restraints excluded: chain A residue 1234 VAL Chi-restraints excluded: chain A residue 1263 THR Chi-restraints excluded: chain A residue 1269 CYS Chi-restraints excluded: chain A residue 1271 ARG Chi-restraints excluded: chain A residue 1282 SER Chi-restraints excluded: chain A residue 1286 MET Chi-restraints excluded: chain A residue 1287 LEU Chi-restraints excluded: chain A residue 1296 GLN Chi-restraints excluded: chain A residue 1431 THR Chi-restraints excluded: chain A residue 1432 THR Chi-restraints excluded: chain A residue 1460 HIS Chi-restraints excluded: chain A residue 1462 MET Chi-restraints excluded: chain A residue 1467 SER Chi-restraints excluded: chain A residue 1469 VAL Chi-restraints excluded: chain A residue 1576 SER Chi-restraints excluded: chain A residue 1579 MET Chi-restraints excluded: chain A residue 1597 VAL Chi-restraints excluded: chain A residue 1599 MET Chi-restraints excluded: chain A residue 1624 LEU Chi-restraints excluded: chain A residue 1647 CYS Chi-restraints excluded: chain A residue 1654 SER Chi-restraints excluded: chain A residue 1673 VAL Chi-restraints excluded: chain A residue 1687 SER Chi-restraints excluded: chain A residue 1699 GLU Chi-restraints excluded: chain A residue 1700 ASP Chi-restraints excluded: chain A residue 1706 PRO Chi-restraints excluded: chain A residue 1733 GLU Chi-restraints excluded: chain A residue 1736 VAL Chi-restraints excluded: chain A residue 1738 LEU Chi-restraints excluded: chain A residue 1760 HIS Chi-restraints excluded: chain A residue 1765 VAL Chi-restraints excluded: chain A residue 1771 LEU Chi-restraints excluded: chain A residue 1772 ARG Chi-restraints excluded: chain A residue 1778 SER Chi-restraints excluded: chain A residue 1802 ILE Chi-restraints excluded: chain A residue 1812 LEU Chi-restraints excluded: chain A residue 1834 VAL Chi-restraints excluded: chain A residue 1837 GLN Chi-restraints excluded: chain A residue 1929 MET Chi-restraints excluded: chain A residue 1934 SER Chi-restraints excluded: chain A residue 1955 VAL Chi-restraints excluded: chain A residue 1961 PHE Chi-restraints excluded: chain A residue 1969 LEU Chi-restraints excluded: chain A residue 1987 SER Chi-restraints excluded: chain A residue 1995 THR Chi-restraints excluded: chain A residue 2000 SER Chi-restraints excluded: chain A residue 2020 ASP Chi-restraints excluded: chain A residue 2030 ASP Chi-restraints excluded: chain A residue 2037 ASP Chi-restraints excluded: chain A residue 2039 LEU Chi-restraints excluded: chain A residue 2045 GLN Chi-restraints excluded: chain A residue 2093 SER Chi-restraints excluded: chain A residue 2094 LEU Chi-restraints excluded: chain A residue 2097 LEU Chi-restraints excluded: chain A residue 2148 SER Chi-restraints excluded: chain A residue 2156 LEU Chi-restraints excluded: chain A residue 2165 LEU Chi-restraints excluded: chain A residue 2167 ILE Chi-restraints excluded: chain A residue 2170 MET Chi-restraints excluded: chain A residue 2186 MET Chi-restraints excluded: chain A residue 2187 ASN Chi-restraints excluded: chain A residue 2228 MET Chi-restraints excluded: chain A residue 2229 VAL Chi-restraints excluded: chain A residue 2238 TYR Chi-restraints excluded: chain A residue 2244 ARG Chi-restraints excluded: chain A residue 2249 SER Chi-restraints excluded: chain A residue 2270 SER Chi-restraints excluded: chain A residue 2274 ASP Chi-restraints excluded: chain A residue 2275 VAL Chi-restraints excluded: chain A residue 2280 VAL Chi-restraints excluded: chain A residue 2281 ILE Chi-restraints excluded: chain A residue 2284 ASN Chi-restraints excluded: chain A residue 2294 ASP Chi-restraints excluded: chain A residue 2295 LEU Chi-restraints excluded: chain A residue 2299 VAL Chi-restraints excluded: chain A residue 2324 ASN Chi-restraints excluded: chain A residue 2336 ARG Chi-restraints excluded: chain A residue 2341 VAL Chi-restraints excluded: chain A residue 2353 VAL Chi-restraints excluded: chain A residue 2368 LEU Chi-restraints excluded: chain A residue 2416 VAL Chi-restraints excluded: chain A residue 2417 HIS Chi-restraints excluded: chain A residue 2442 LEU Chi-restraints excluded: chain A residue 2454 ARG Chi-restraints excluded: chain A residue 2460 LEU Chi-restraints excluded: chain A residue 2464 ASP Chi-restraints excluded: chain A residue 3644 LEU Chi-restraints excluded: chain A residue 3646 THR Chi-restraints excluded: chain A residue 3652 MET Chi-restraints excluded: chain A residue 3661 TRP Chi-restraints excluded: chain A residue 3667 HIS Chi-restraints excluded: chain A residue 3669 PHE Chi-restraints excluded: chain A residue 3676 ASP Chi-restraints excluded: chain A residue 3711 THR Chi-restraints excluded: chain A residue 3732 SER Chi-restraints excluded: chain A residue 3749 VAL Chi-restraints excluded: chain A residue 3752 SER Chi-restraints excluded: chain A residue 3772 THR Chi-restraints excluded: chain A residue 3779 VAL Chi-restraints excluded: chain A residue 3803 SER Chi-restraints excluded: chain A residue 3822 ASP Chi-restraints excluded: chain A residue 3837 GLN Chi-restraints excluded: chain A residue 3869 GLN Chi-restraints excluded: chain A residue 3873 LYS Chi-restraints excluded: chain A residue 3875 MET Chi-restraints excluded: chain A residue 3916 ILE Chi-restraints excluded: chain A residue 3969 ILE Chi-restraints excluded: chain A residue 3995 VAL Chi-restraints excluded: chain A residue 4015 GLU Chi-restraints excluded: chain A residue 4018 ASP 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 4049 VAL Chi-restraints excluded: chain A residue 4061 PHE Chi-restraints excluded: chain A residue 4067 LYS Chi-restraints excluded: chain A residue 4072 VAL Chi-restraints excluded: chain A residue 4106 PRO Chi-restraints excluded: chain A residue 4110 PHE Chi-restraints excluded: chain A residue 4123 ILE Chi-restraints excluded: chain A residue 4125 PHE Chi-restraints excluded: chain A residue 4135 PRO Chi-restraints excluded: chain A residue 4145 VAL Chi-restraints excluded: chain A residue 4154 VAL Chi-restraints excluded: chain A residue 4170 ILE Chi-restraints excluded: chain A residue 4178 LEU Chi-restraints excluded: chain A residue 4200 THR Chi-restraints excluded: chain A residue 4202 ARG Chi-restraints excluded: chain A residue 4242 ILE Chi-restraints excluded: chain A residue 4546 VAL Chi-restraints excluded: chain A residue 4549 VAL Chi-restraints excluded: chain A residue 4558 ASN Chi-restraints excluded: chain A residue 4582 VAL Chi-restraints excluded: chain A residue 4645 CYS Chi-restraints excluded: chain A residue 4669 VAL Chi-restraints excluded: chain A residue 4684 ASP Chi-restraints excluded: chain A residue 4689 THR Chi-restraints excluded: chain A residue 4761 PRO Chi-restraints excluded: chain A residue 4771 ILE Chi-restraints excluded: chain A residue 4796 MET Chi-restraints excluded: chain A residue 4816 ILE Chi-restraints excluded: chain A residue 4818 MET Chi-restraints excluded: chain A residue 4825 THR Chi-restraints excluded: chain A residue 4838 VAL Chi-restraints excluded: chain A residue 4881 THR Chi-restraints excluded: chain A residue 4901 ILE Chi-restraints excluded: chain A residue 4918 ILE Chi-restraints excluded: chain A residue 4954 MET Chi-restraints excluded: chain A residue 4957 LYS Chi-restraints excluded: chain A residue 4961 CYS Chi-restraints excluded: chain A residue 4966 ASP Chi-restraints excluded: chain A residue 4980 LEU Chi-restraints excluded: chain A residue 4992 LEU Chi-restraints excluded: chain A residue 5002 GLU Chi-restraints excluded: chain B residue 13 PHE Chi-restraints excluded: chain B residue 18 ASP Chi-restraints excluded: chain B residue 24 CYS Chi-restraints excluded: chain B residue 46 LEU Chi-restraints excluded: chain B residue 47 CYS Chi-restraints excluded: chain B residue 54 ASN Chi-restraints excluded: chain B residue 66 CYS Chi-restraints excluded: chain B residue 69 LEU Chi-restraints excluded: chain B residue 75 VAL Chi-restraints excluded: chain B residue 78 LEU Chi-restraints excluded: chain B residue 109 LEU Chi-restraints excluded: chain B residue 115 ARG Chi-restraints excluded: chain B residue 119 SER Chi-restraints excluded: chain B residue 128 THR Chi-restraints excluded: chain B residue 134 ASP Chi-restraints excluded: chain B residue 135 VAL Chi-restraints excluded: chain B residue 149 THR Chi-restraints excluded: chain B residue 156 GLN Chi-restraints excluded: chain B residue 184 THR Chi-restraints excluded: chain B residue 188 GLU Chi-restraints excluded: chain B residue 190 GLN Chi-restraints excluded: chain B residue 210 GLU Chi-restraints excluded: chain B residue 215 THR Chi-restraints excluded: chain B residue 220 LEU Chi-restraints excluded: chain B residue 232 THR Chi-restraints excluded: chain B residue 252 VAL Chi-restraints excluded: chain B residue 255 HIS Chi-restraints excluded: chain B residue 258 SER Chi-restraints excluded: chain B residue 259 LEU Chi-restraints excluded: chain B residue 272 SER Chi-restraints excluded: chain B residue 291 LEU Chi-restraints excluded: chain B residue 305 CYS Chi-restraints excluded: chain B residue 308 HIS Chi-restraints excluded: chain B residue 309 THR Chi-restraints excluded: chain B residue 312 THR Chi-restraints excluded: chain B residue 315 CYS Chi-restraints excluded: chain B residue 318 VAL Chi-restraints excluded: chain B residue 320 LYS Chi-restraints excluded: chain B residue 339 ILE Chi-restraints excluded: chain B residue 346 CYS Chi-restraints excluded: chain B residue 358 THR Chi-restraints excluded: chain B residue 363 ASP Chi-restraints excluded: chain B residue 374 LYS Chi-restraints excluded: chain B residue 391 THR Chi-restraints excluded: chain B residue 397 GLU Chi-restraints excluded: chain B residue 404 ILE Chi-restraints excluded: chain B residue 405 HIS Chi-restraints excluded: chain B residue 413 GLN Chi-restraints excluded: chain B residue 420 SER Chi-restraints excluded: chain B residue 441 VAL Chi-restraints excluded: chain B residue 442 ILE Chi-restraints excluded: chain B residue 447 ASP Chi-restraints excluded: chain B residue 448 LEU Chi-restraints excluded: chain B residue 470 SER Chi-restraints excluded: chain B residue 487 VAL Chi-restraints excluded: chain B residue 494 LEU Chi-restraints excluded: chain B residue 505 GLU Chi-restraints excluded: chain B residue 510 GLU Chi-restraints excluded: chain B residue 530 ILE Chi-restraints excluded: chain B residue 533 ASN Chi-restraints excluded: chain B residue 540 PHE Chi-restraints excluded: chain B residue 547 VAL Chi-restraints excluded: chain B residue 560 ILE Chi-restraints excluded: chain B residue 569 ILE Chi-restraints excluded: chain B residue 575 LEU Chi-restraints excluded: chain B residue 578 ILE Chi-restraints excluded: chain B residue 621 ILE Chi-restraints excluded: chain B residue 625 LEU Chi-restraints excluded: chain B residue 629 ARG Chi-restraints excluded: chain B residue 635 THR Chi-restraints excluded: chain B residue 637 LEU Chi-restraints excluded: chain B residue 663 TYR Chi-restraints excluded: chain B residue 672 VAL Chi-restraints excluded: chain B residue 674 PHE Chi-restraints excluded: chain B residue 675 LEU Chi-restraints excluded: chain B residue 682 LEU Chi-restraints excluded: chain B residue 683 ARG Chi-restraints excluded: chain B residue 684 VAL Chi-restraints excluded: chain B residue 693 SER Chi-restraints excluded: chain B residue 705 ASN Chi-restraints excluded: chain B residue 707 VAL Chi-restraints excluded: chain B residue 723 THR Chi-restraints excluded: chain B residue 725 HIS Chi-restraints excluded: chain B residue 730 VAL Chi-restraints excluded: chain B residue 752 VAL Chi-restraints excluded: chain B residue 760 ASN Chi-restraints excluded: chain B residue 773 LEU Chi-restraints excluded: chain B residue 800 PHE Chi-restraints excluded: chain B residue 821 LEU Chi-restraints excluded: chain B residue 826 ILE Chi-restraints excluded: chain B residue 840 VAL Chi-restraints excluded: chain B residue 933 LEU Chi-restraints excluded: chain B residue 974 HIS Chi-restraints excluded: chain B residue 977 LEU Chi-restraints excluded: chain B residue 993 HIS Chi-restraints excluded: chain B residue 1072 VAL Chi-restraints excluded: chain B residue 1074 ILE Chi-restraints excluded: chain B residue 1113 VAL Chi-restraints excluded: chain B residue 1114 GLU Chi-restraints excluded: chain B residue 1131 ARG Chi-restraints excluded: chain B residue 1137 GLU Chi-restraints excluded: chain B residue 1139 PHE Chi-restraints excluded: chain B residue 1147 ASP Chi-restraints excluded: chain B residue 1154 ASP Chi-restraints excluded: chain B residue 1155 LEU Chi-restraints excluded: chain B residue 1158 ASN Chi-restraints excluded: chain B residue 1163 THR Chi-restraints excluded: chain B residue 1168 VAL Chi-restraints excluded: chain B residue 1169 LEU Chi-restraints excluded: chain B residue 1171 SER Chi-restraints excluded: chain B residue 1173 SER Chi-restraints excluded: chain B residue 1190 PRO Chi-restraints excluded: chain B residue 1192 CYS Chi-restraints excluded: chain B residue 1202 LEU Chi-restraints excluded: chain B residue 1204 LEU Chi-restraints excluded: chain B residue 1208 VAL Chi-restraints excluded: chain B residue 1228 ILE Chi-restraints excluded: chain B residue 1229 ASN Chi-restraints excluded: chain B residue 1234 VAL Chi-restraints excluded: chain B residue 1254 HIS Chi-restraints excluded: chain B residue 1256 GLU Chi-restraints excluded: chain B residue 1263 THR Chi-restraints excluded: chain B residue 1269 CYS Chi-restraints excluded: chain B residue 1271 ARG Chi-restraints excluded: chain B residue 1282 SER Chi-restraints excluded: chain B residue 1286 MET Chi-restraints excluded: chain B residue 1287 LEU Chi-restraints excluded: chain B residue 1296 GLN Chi-restraints excluded: chain B residue 1431 THR Chi-restraints excluded: chain B residue 1432 THR Chi-restraints excluded: chain B residue 1460 HIS Chi-restraints excluded: chain B residue 1462 MET Chi-restraints excluded: chain B residue 1467 SER Chi-restraints excluded: chain B residue 1469 VAL Chi-restraints excluded: chain B residue 1576 SER Chi-restraints excluded: chain B residue 1597 VAL Chi-restraints excluded: chain B residue 1599 MET Chi-restraints excluded: chain B residue 1624 LEU Chi-restraints excluded: chain B residue 1632 ASP Chi-restraints excluded: chain B residue 1647 CYS Chi-restraints excluded: chain B residue 1654 SER Chi-restraints excluded: chain B residue 1673 VAL Chi-restraints excluded: chain B residue 1687 SER Chi-restraints excluded: chain B residue 1689 VAL Chi-restraints excluded: chain B residue 1699 GLU Chi-restraints excluded: chain B residue 1700 ASP Chi-restraints excluded: chain B residue 1706 PRO Chi-restraints excluded: chain B residue 1733 GLU Chi-restraints excluded: chain B residue 1736 VAL Chi-restraints excluded: chain B residue 1738 LEU Chi-restraints excluded: chain B residue 1760 HIS Chi-restraints excluded: chain B residue 1765 VAL Chi-restraints excluded: chain B residue 1770 SER Chi-restraints excluded: chain B residue 1771 LEU Chi-restraints excluded: chain B residue 1772 ARG Chi-restraints excluded: chain B residue 1778 SER Chi-restraints excluded: chain B residue 1802 ILE Chi-restraints excluded: chain B residue 1834 VAL Chi-restraints excluded: chain B residue 1837 GLN Chi-restraints excluded: chain B residue 1863 LEU Chi-restraints excluded: chain B residue 1929 MET Chi-restraints excluded: chain B residue 1934 SER Chi-restraints excluded: chain B residue 1955 VAL Chi-restraints excluded: chain B residue 1961 PHE Chi-restraints excluded: chain B residue 1969 LEU Chi-restraints excluded: chain B residue 1987 SER Chi-restraints excluded: chain B residue 1995 THR Chi-restraints excluded: chain B residue 2000 SER Chi-restraints excluded: chain B residue 2020 ASP Chi-restraints excluded: chain B residue 2030 ASP Chi-restraints excluded: chain B residue 2037 ASP Chi-restraints excluded: chain B residue 2039 LEU Chi-restraints excluded: chain B residue 2045 GLN Chi-restraints excluded: chain B residue 2090 LYS Chi-restraints excluded: chain B residue 2093 SER Chi-restraints excluded: chain B residue 2094 LEU Chi-restraints excluded: chain B residue 2097 LEU Chi-restraints excluded: chain B residue 2100 HIS Chi-restraints excluded: chain B residue 2148 SER Chi-restraints excluded: chain B residue 2156 LEU Chi-restraints excluded: chain B residue 2165 LEU Chi-restraints excluded: chain B residue 2167 ILE Chi-restraints excluded: chain B residue 2170 MET Chi-restraints excluded: chain B residue 2186 MET Chi-restraints excluded: chain B residue 2187 ASN Chi-restraints excluded: chain B residue 2228 MET Chi-restraints excluded: chain B residue 2229 VAL Chi-restraints excluded: chain B residue 2238 TYR Chi-restraints excluded: chain B residue 2244 ARG Chi-restraints excluded: chain B residue 2270 SER Chi-restraints excluded: chain B residue 2274 ASP Chi-restraints excluded: chain B residue 2275 VAL Chi-restraints excluded: chain B residue 2280 VAL Chi-restraints excluded: chain B residue 2281 ILE Chi-restraints excluded: chain B residue 2294 ASP Chi-restraints excluded: chain B residue 2295 LEU Chi-restraints excluded: chain B residue 2299 VAL Chi-restraints excluded: chain B residue 2324 ASN Chi-restraints excluded: chain B residue 2336 ARG Chi-restraints excluded: chain B residue 2341 VAL Chi-restraints excluded: chain B residue 2353 VAL Chi-restraints excluded: chain B residue 2368 LEU Chi-restraints excluded: chain B residue 2377 LEU Chi-restraints excluded: chain B residue 2416 VAL Chi-restraints excluded: chain B residue 2417 HIS Chi-restraints excluded: chain B residue 2442 LEU Chi-restraints excluded: chain B residue 2454 ARG Chi-restraints excluded: chain B residue 2460 LEU Chi-restraints excluded: chain B residue 2464 ASP Chi-restraints excluded: chain B residue 2474 LEU Chi-restraints excluded: chain B residue 3646 THR Chi-restraints excluded: chain B residue 3652 MET Chi-restraints excluded: chain B residue 3663 LEU Chi-restraints excluded: chain B residue 3667 HIS Chi-restraints excluded: chain B residue 3669 PHE Chi-restraints excluded: chain B residue 3676 ASP Chi-restraints excluded: chain B residue 3711 THR Chi-restraints excluded: chain B residue 3752 SER Chi-restraints excluded: chain B residue 3772 THR Chi-restraints excluded: chain B residue 3779 VAL Chi-restraints excluded: chain B residue 3803 SER Chi-restraints excluded: chain B residue 3822 ASP Chi-restraints excluded: chain B residue 3837 GLN Chi-restraints excluded: chain B residue 3856 LEU Chi-restraints excluded: chain B residue 3916 ILE Chi-restraints excluded: chain B residue 3930 ILE Chi-restraints excluded: chain B residue 3969 ILE Chi-restraints excluded: chain B residue 3995 VAL Chi-restraints excluded: chain B residue 4012 LEU Chi-restraints excluded: chain B residue 4018 ASP 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 4049 VAL Chi-restraints excluded: chain B residue 4061 PHE Chi-restraints excluded: chain B residue 4067 LYS Chi-restraints excluded: chain B residue 4072 VAL Chi-restraints excluded: chain B residue 4079 ASP Chi-restraints excluded: chain B residue 4081 VAL Chi-restraints excluded: chain B residue 4082 THR Chi-restraints excluded: chain B residue 4087 LEU Chi-restraints excluded: chain B residue 4088 ILE Chi-restraints excluded: chain B residue 4089 SER Chi-restraints excluded: chain B residue 4106 PRO Chi-restraints excluded: chain B residue 4110 PHE Chi-restraints excluded: chain B residue 4111 LEU Chi-restraints excluded: chain B residue 4123 ILE Chi-restraints excluded: chain B residue 4125 PHE Chi-restraints excluded: chain B residue 4135 PRO Chi-restraints excluded: chain B residue 4145 VAL Chi-restraints excluded: chain B residue 4154 VAL Chi-restraints excluded: chain B residue 4170 ILE Chi-restraints excluded: chain B residue 4178 LEU Chi-restraints excluded: chain B residue 4200 THR Chi-restraints excluded: chain B residue 4202 ARG Chi-restraints excluded: chain B residue 4242 ILE Chi-restraints excluded: chain B residue 4546 VAL Chi-restraints excluded: chain B residue 4549 VAL Chi-restraints excluded: chain B residue 4558 ASN Chi-restraints excluded: chain B residue 4582 VAL Chi-restraints excluded: chain B residue 4645 CYS Chi-restraints excluded: chain B residue 4669 VAL Chi-restraints excluded: chain B residue 4684 ASP Chi-restraints excluded: chain B residue 4695 ASP Chi-restraints excluded: chain B residue 4697 VAL Chi-restraints excluded: chain B residue 4761 PRO Chi-restraints excluded: chain B residue 4796 MET Chi-restraints excluded: chain B residue 4816 ILE Chi-restraints excluded: chain B residue 4818 MET Chi-restraints excluded: chain B residue 4825 THR Chi-restraints excluded: chain B residue 4838 VAL Chi-restraints excluded: chain B residue 4881 THR Chi-restraints excluded: chain B residue 4901 ILE Chi-restraints excluded: chain B residue 4918 ILE Chi-restraints excluded: chain B residue 4954 MET Chi-restraints excluded: chain B residue 4957 LYS Chi-restraints excluded: chain B residue 4961 CYS Chi-restraints excluded: chain B residue 4966 ASP Chi-restraints excluded: chain B residue 4980 LEU Chi-restraints excluded: chain B residue 4989 MET Chi-restraints excluded: chain B residue 4992 LEU Chi-restraints excluded: chain B residue 5002 GLU Chi-restraints excluded: chain C residue 13 PHE Chi-restraints excluded: chain C residue 18 ASP Chi-restraints excluded: chain C residue 24 CYS Chi-restraints excluded: chain C residue 28 VAL Chi-restraints excluded: chain C residue 46 LEU Chi-restraints excluded: chain C residue 47 CYS Chi-restraints excluded: chain C residue 54 ASN Chi-restraints excluded: chain C residue 66 CYS Chi-restraints excluded: chain C residue 69 LEU Chi-restraints excluded: chain C residue 75 VAL Chi-restraints excluded: chain C residue 78 LEU Chi-restraints excluded: chain C residue 109 LEU Chi-restraints excluded: chain C residue 115 ARG Chi-restraints excluded: chain C residue 119 SER Chi-restraints excluded: chain C residue 128 THR Chi-restraints excluded: chain C residue 134 ASP Chi-restraints excluded: chain C residue 135 VAL Chi-restraints excluded: chain C residue 149 THR Chi-restraints excluded: chain C residue 156 GLN Chi-restraints excluded: chain C residue 184 THR Chi-restraints excluded: chain C residue 188 GLU Chi-restraints excluded: chain C residue 190 GLN Chi-restraints excluded: chain C residue 210 GLU Chi-restraints excluded: chain C residue 215 THR Chi-restraints excluded: chain C residue 220 LEU Chi-restraints excluded: chain C residue 232 THR Chi-restraints excluded: chain C residue 252 VAL Chi-restraints excluded: chain C residue 255 HIS Chi-restraints excluded: chain C residue 272 SER Chi-restraints excluded: chain C residue 286 THR Chi-restraints excluded: chain C residue 291 LEU Chi-restraints excluded: chain C residue 305 CYS Chi-restraints excluded: chain C residue 309 THR Chi-restraints excluded: chain C residue 312 THR Chi-restraints excluded: chain C residue 315 CYS Chi-restraints excluded: chain C residue 318 VAL Chi-restraints excluded: chain C residue 320 LYS Chi-restraints excluded: chain C residue 339 ILE Chi-restraints excluded: chain C residue 346 CYS Chi-restraints excluded: chain C residue 358 THR Chi-restraints excluded: chain C residue 363 ASP Chi-restraints excluded: chain C residue 374 LYS Chi-restraints excluded: chain C residue 397 GLU Chi-restraints excluded: chain C residue 404 ILE Chi-restraints excluded: chain C residue 405 HIS Chi-restraints excluded: chain C residue 413 GLN Chi-restraints excluded: chain C residue 420 SER Chi-restraints excluded: chain C residue 441 VAL Chi-restraints excluded: chain C residue 442 ILE Chi-restraints excluded: chain C residue 447 ASP Chi-restraints excluded: chain C residue 448 LEU Chi-restraints excluded: chain C residue 470 SER Chi-restraints excluded: chain C residue 477 LEU Chi-restraints excluded: chain C residue 481 GLU Chi-restraints excluded: chain C residue 487 VAL Chi-restraints excluded: chain C residue 494 LEU Chi-restraints excluded: chain C residue 505 GLU Chi-restraints excluded: chain C residue 530 ILE Chi-restraints excluded: chain C residue 533 ASN Chi-restraints excluded: chain C residue 540 PHE Chi-restraints excluded: chain C residue 547 VAL Chi-restraints excluded: chain C residue 560 ILE Chi-restraints excluded: chain C residue 569 ILE Chi-restraints excluded: chain C residue 575 LEU Chi-restraints excluded: chain C residue 578 ILE Chi-restraints excluded: chain C residue 621 ILE Chi-restraints excluded: chain C residue 625 LEU Chi-restraints excluded: chain C residue 629 ARG Chi-restraints excluded: chain C residue 635 THR Chi-restraints excluded: chain C residue 637 LEU Chi-restraints excluded: chain C residue 652 ARG Chi-restraints excluded: chain C residue 663 TYR Chi-restraints excluded: chain C residue 672 VAL Chi-restraints excluded: chain C residue 674 PHE Chi-restraints excluded: chain C residue 675 LEU Chi-restraints excluded: chain C residue 682 LEU Chi-restraints excluded: chain C residue 683 ARG Chi-restraints excluded: chain C residue 684 VAL Chi-restraints excluded: chain C residue 693 SER Chi-restraints excluded: chain C residue 705 ASN Chi-restraints excluded: chain C residue 707 VAL Chi-restraints excluded: chain C residue 723 THR Chi-restraints excluded: chain C residue 725 HIS Chi-restraints excluded: chain C residue 730 VAL Chi-restraints excluded: chain C residue 752 VAL Chi-restraints excluded: chain C residue 760 ASN Chi-restraints excluded: chain C residue 773 LEU Chi-restraints excluded: chain C residue 800 PHE Chi-restraints excluded: chain C residue 821 LEU Chi-restraints excluded: chain C residue 826 ILE Chi-restraints excluded: chain C residue 840 VAL Chi-restraints excluded: chain C residue 850 ASP Chi-restraints excluded: chain C residue 933 LEU Chi-restraints excluded: chain C residue 974 HIS Chi-restraints excluded: chain C residue 977 LEU Chi-restraints excluded: chain C residue 1072 VAL Chi-restraints excluded: chain C residue 1074 ILE Chi-restraints excluded: chain C residue 1113 VAL Chi-restraints excluded: chain C residue 1114 GLU Chi-restraints excluded: chain C residue 1123 VAL Chi-restraints excluded: chain C residue 1131 ARG Chi-restraints excluded: chain C residue 1137 GLU Chi-restraints excluded: chain C residue 1139 PHE Chi-restraints excluded: chain C residue 1147 ASP Chi-restraints excluded: chain C residue 1153 ILE Chi-restraints excluded: chain C residue 1154 ASP Chi-restraints excluded: chain C residue 1155 LEU Chi-restraints excluded: chain C residue 1158 ASN Chi-restraints excluded: chain C residue 1163 THR Chi-restraints excluded: chain C residue 1168 VAL Chi-restraints excluded: chain C residue 1171 SER Chi-restraints excluded: chain C residue 1173 SER Chi-restraints excluded: chain C residue 1190 PRO Chi-restraints excluded: chain C residue 1192 CYS Chi-restraints excluded: chain C residue 1202 LEU Chi-restraints excluded: chain C residue 1204 LEU Chi-restraints excluded: chain C residue 1208 VAL Chi-restraints excluded: chain C residue 1228 ILE Chi-restraints excluded: chain C residue 1229 ASN Chi-restraints excluded: chain C residue 1234 VAL Chi-restraints excluded: chain C residue 1263 THR Chi-restraints excluded: chain C residue 1269 CYS Chi-restraints excluded: chain C residue 1271 ARG Chi-restraints excluded: chain C residue 1282 SER Chi-restraints excluded: chain C residue 1286 MET Chi-restraints excluded: chain C residue 1287 LEU Chi-restraints excluded: chain C residue 1289 LEU Chi-restraints excluded: chain C residue 1296 GLN Chi-restraints excluded: chain C residue 1431 THR Chi-restraints excluded: chain C residue 1432 THR Chi-restraints excluded: chain C residue 1460 HIS Chi-restraints excluded: chain C residue 1462 MET Chi-restraints excluded: chain C residue 1467 SER Chi-restraints excluded: chain C residue 1469 VAL Chi-restraints excluded: chain C residue 1576 SER Chi-restraints excluded: chain C residue 1580 PHE Chi-restraints excluded: chain C residue 1597 VAL Chi-restraints excluded: chain C residue 1599 MET Chi-restraints excluded: chain C residue 1624 LEU Chi-restraints excluded: chain C residue 1632 ASP Chi-restraints excluded: chain C residue 1647 CYS Chi-restraints excluded: chain C residue 1654 SER Chi-restraints excluded: chain C residue 1673 VAL Chi-restraints excluded: chain C residue 1687 SER Chi-restraints excluded: chain C residue 1689 VAL Chi-restraints excluded: chain C residue 1699 GLU Chi-restraints excluded: chain C residue 1700 ASP Chi-restraints excluded: chain C residue 1706 PRO Chi-restraints excluded: chain C residue 1733 GLU Chi-restraints excluded: chain C residue 1736 VAL Chi-restraints excluded: chain C residue 1738 LEU Chi-restraints excluded: chain C residue 1760 HIS Chi-restraints excluded: chain C residue 1765 VAL 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 1802 ILE Chi-restraints excluded: chain C residue 1812 LEU Chi-restraints excluded: chain C residue 1834 VAL Chi-restraints excluded: chain C residue 1837 GLN Chi-restraints excluded: chain C residue 1929 MET Chi-restraints excluded: chain C residue 1934 SER Chi-restraints excluded: chain C residue 1955 VAL Chi-restraints excluded: chain C residue 1961 PHE Chi-restraints excluded: chain C residue 1969 LEU Chi-restraints excluded: chain C residue 1987 SER Chi-restraints excluded: chain C residue 1995 THR Chi-restraints excluded: chain C residue 2000 SER Chi-restraints excluded: chain C residue 2020 ASP Chi-restraints excluded: chain C residue 2030 ASP Chi-restraints excluded: chain C residue 2037 ASP Chi-restraints excluded: chain C residue 2045 GLN Chi-restraints excluded: chain C residue 2093 SER Chi-restraints excluded: chain C residue 2094 LEU Chi-restraints excluded: chain C residue 2097 LEU Chi-restraints excluded: chain C residue 2148 SER Chi-restraints excluded: chain C residue 2156 LEU Chi-restraints excluded: chain C residue 2165 LEU Chi-restraints excluded: chain C residue 2167 ILE Chi-restraints excluded: chain C residue 2170 MET Chi-restraints excluded: chain C residue 2186 MET Chi-restraints excluded: chain C residue 2187 ASN Chi-restraints excluded: chain C residue 2228 MET Chi-restraints excluded: chain C residue 2229 VAL Chi-restraints excluded: chain C residue 2238 TYR Chi-restraints excluded: chain C residue 2244 ARG Chi-restraints excluded: chain C residue 2270 SER Chi-restraints excluded: chain C residue 2274 ASP Chi-restraints excluded: chain C residue 2275 VAL Chi-restraints excluded: chain C residue 2280 VAL Chi-restraints excluded: chain C residue 2281 ILE Chi-restraints excluded: chain C residue 2294 ASP Chi-restraints excluded: chain C residue 2295 LEU Chi-restraints excluded: chain C residue 2299 VAL Chi-restraints excluded: chain C residue 2324 ASN Chi-restraints excluded: chain C residue 2336 ARG Chi-restraints excluded: chain C residue 2341 VAL Chi-restraints excluded: chain C residue 2353 VAL Chi-restraints excluded: chain C residue 2368 LEU Chi-restraints excluded: chain C residue 2416 VAL Chi-restraints excluded: chain C residue 2417 HIS Chi-restraints excluded: chain C residue 2442 LEU Chi-restraints excluded: chain C residue 2454 ARG Chi-restraints excluded: chain C residue 2460 LEU Chi-restraints excluded: chain C residue 2464 ASP Chi-restraints excluded: chain C residue 2474 LEU Chi-restraints excluded: chain C residue 2476 ILE Chi-restraints excluded: chain C residue 3646 THR Chi-restraints excluded: chain C residue 3652 MET Chi-restraints excluded: chain C residue 3661 TRP Chi-restraints excluded: chain C residue 3669 PHE Chi-restraints excluded: chain C residue 3676 ASP Chi-restraints excluded: chain C residue 3711 THR Chi-restraints excluded: chain C residue 3732 SER Chi-restraints excluded: chain C residue 3752 SER Chi-restraints excluded: chain C residue 3772 THR Chi-restraints excluded: chain C residue 3779 VAL Chi-restraints excluded: chain C residue 3803 SER Chi-restraints excluded: chain C residue 3822 ASP Chi-restraints excluded: chain C residue 3837 GLN Chi-restraints excluded: chain C residue 3916 ILE Chi-restraints excluded: chain C residue 3930 ILE Chi-restraints excluded: chain C residue 3969 ILE Chi-restraints excluded: chain C residue 3995 VAL Chi-restraints excluded: chain C residue 4018 ASP 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 4049 VAL Chi-restraints excluded: chain C residue 4061 PHE Chi-restraints excluded: chain C residue 4067 LYS Chi-restraints excluded: chain C residue 4072 VAL Chi-restraints excluded: chain C residue 4079 ASP Chi-restraints excluded: chain C residue 4081 VAL Chi-restraints excluded: chain C residue 4082 THR Chi-restraints excluded: chain C residue 4087 LEU Chi-restraints excluded: chain C residue 4088 ILE Chi-restraints excluded: chain C residue 4089 SER Chi-restraints excluded: chain C residue 4106 PRO Chi-restraints excluded: chain C residue 4110 PHE Chi-restraints excluded: chain C residue 4111 LEU Chi-restraints excluded: chain C residue 4125 PHE Chi-restraints excluded: chain C residue 4135 PRO Chi-restraints excluded: chain C residue 4145 VAL Chi-restraints excluded: chain C residue 4154 VAL Chi-restraints excluded: chain C residue 4170 ILE Chi-restraints excluded: chain C residue 4178 LEU Chi-restraints excluded: chain C residue 4181 ILE Chi-restraints excluded: chain C residue 4200 THR Chi-restraints excluded: chain C residue 4202 ARG Chi-restraints excluded: chain C residue 4242 ILE Chi-restraints excluded: chain C residue 4546 VAL Chi-restraints excluded: chain C residue 4549 VAL Chi-restraints excluded: chain C residue 4558 ASN Chi-restraints excluded: chain C residue 4582 VAL Chi-restraints excluded: chain C residue 4645 CYS Chi-restraints excluded: chain C residue 4669 VAL Chi-restraints excluded: chain C residue 4684 ASP Chi-restraints excluded: chain C residue 4689 THR Chi-restraints excluded: chain C residue 4761 PRO Chi-restraints excluded: chain C residue 4816 ILE Chi-restraints excluded: chain C residue 4818 MET Chi-restraints excluded: chain C residue 4825 THR Chi-restraints excluded: chain C residue 4838 VAL Chi-restraints excluded: chain C residue 4881 THR Chi-restraints excluded: chain C residue 4901 ILE Chi-restraints excluded: chain C residue 4918 ILE Chi-restraints excluded: chain C residue 4942 GLU Chi-restraints excluded: chain C residue 4954 MET Chi-restraints excluded: chain C residue 4957 LYS Chi-restraints excluded: chain C residue 4961 CYS Chi-restraints excluded: chain C residue 4966 ASP Chi-restraints excluded: chain C residue 4980 LEU Chi-restraints excluded: chain C residue 4989 MET Chi-restraints excluded: chain C residue 4992 LEU Chi-restraints excluded: chain C residue 5002 GLU Chi-restraints excluded: chain D residue 13 PHE Chi-restraints excluded: chain D residue 18 ASP Chi-restraints excluded: chain D residue 24 CYS Chi-restraints excluded: chain D residue 28 VAL Chi-restraints excluded: chain D residue 46 LEU Chi-restraints excluded: chain D residue 47 CYS Chi-restraints excluded: chain D residue 54 ASN Chi-restraints excluded: chain D residue 66 CYS Chi-restraints excluded: chain D residue 69 LEU Chi-restraints excluded: chain D residue 75 VAL Chi-restraints excluded: chain D residue 78 LEU Chi-restraints excluded: chain D residue 109 LEU Chi-restraints excluded: chain D residue 115 ARG Chi-restraints excluded: chain D residue 119 SER Chi-restraints excluded: chain D residue 128 THR Chi-restraints excluded: chain D residue 134 ASP Chi-restraints excluded: chain D residue 135 VAL Chi-restraints excluded: chain D residue 149 THR Chi-restraints excluded: chain D residue 156 GLN Chi-restraints excluded: chain D residue 184 THR Chi-restraints excluded: chain D residue 188 GLU Chi-restraints excluded: chain D residue 190 GLN Chi-restraints excluded: chain D residue 210 GLU Chi-restraints excluded: chain D residue 215 THR Chi-restraints excluded: chain D residue 220 LEU Chi-restraints excluded: chain D residue 232 THR Chi-restraints excluded: chain D residue 252 VAL Chi-restraints excluded: chain D residue 255 HIS Chi-restraints excluded: chain D residue 272 SER Chi-restraints excluded: chain D residue 286 THR Chi-restraints excluded: chain D residue 291 LEU Chi-restraints excluded: chain D residue 305 CYS Chi-restraints excluded: chain D residue 308 HIS Chi-restraints excluded: chain D residue 309 THR Chi-restraints excluded: chain D residue 315 CYS Chi-restraints excluded: chain D residue 318 VAL Chi-restraints excluded: chain D residue 320 LYS Chi-restraints excluded: chain D residue 339 ILE Chi-restraints excluded: chain D residue 346 CYS Chi-restraints excluded: chain D residue 358 THR Chi-restraints excluded: chain D residue 363 ASP Chi-restraints excluded: chain D residue 374 LYS Chi-restraints excluded: chain D residue 391 THR Chi-restraints excluded: chain D residue 393 CYS Chi-restraints excluded: chain D residue 397 GLU Chi-restraints excluded: chain D residue 404 ILE Chi-restraints excluded: chain D residue 405 HIS Chi-restraints excluded: chain D residue 413 GLN Chi-restraints excluded: chain D residue 420 SER Chi-restraints excluded: chain D residue 441 VAL Chi-restraints excluded: chain D residue 442 ILE Chi-restraints excluded: chain D residue 447 ASP Chi-restraints excluded: chain D residue 448 LEU Chi-restraints excluded: chain D residue 470 SER Chi-restraints excluded: chain D residue 477 LEU Chi-restraints excluded: chain D residue 481 GLU Chi-restraints excluded: chain D residue 487 VAL Chi-restraints excluded: chain D residue 494 LEU Chi-restraints excluded: chain D residue 505 GLU Chi-restraints excluded: chain D residue 530 ILE Chi-restraints excluded: chain D residue 533 ASN Chi-restraints excluded: chain D residue 540 PHE Chi-restraints excluded: chain D residue 547 VAL Chi-restraints excluded: chain D residue 560 ILE Chi-restraints excluded: chain D residue 569 ILE Chi-restraints excluded: chain D residue 575 LEU Chi-restraints excluded: chain D residue 578 ILE Chi-restraints excluded: chain D residue 621 ILE Chi-restraints excluded: chain D residue 625 LEU Chi-restraints excluded: chain D residue 629 ARG Chi-restraints excluded: chain D residue 635 THR Chi-restraints excluded: chain D residue 637 LEU Chi-restraints excluded: chain D residue 645 ARG Chi-restraints excluded: chain D residue 674 PHE Chi-restraints excluded: chain D residue 675 LEU Chi-restraints excluded: chain D residue 682 LEU Chi-restraints excluded: chain D residue 684 VAL Chi-restraints excluded: chain D residue 693 SER Chi-restraints excluded: chain D residue 705 ASN Chi-restraints excluded: chain D residue 707 VAL Chi-restraints excluded: chain D residue 723 THR Chi-restraints excluded: chain D residue 725 HIS Chi-restraints excluded: chain D residue 730 VAL Chi-restraints excluded: chain D residue 752 VAL Chi-restraints excluded: chain D residue 760 ASN Chi-restraints excluded: chain D residue 773 LEU Chi-restraints excluded: chain D residue 778 PHE Chi-restraints excluded: chain D residue 800 PHE Chi-restraints excluded: chain D residue 821 LEU Chi-restraints excluded: chain D residue 826 ILE Chi-restraints excluded: chain D residue 840 VAL Chi-restraints excluded: chain D residue 850 ASP Chi-restraints excluded: chain D residue 932 LEU Chi-restraints excluded: chain D residue 974 HIS Chi-restraints excluded: chain D residue 977 LEU Chi-restraints excluded: chain D residue 1043 VAL Chi-restraints excluded: chain D residue 1072 VAL Chi-restraints excluded: chain D residue 1074 ILE Chi-restraints excluded: chain D residue 1108 GLU Chi-restraints excluded: chain D residue 1113 VAL Chi-restraints excluded: chain D residue 1131 ARG Chi-restraints excluded: chain D residue 1137 GLU Chi-restraints excluded: chain D residue 1139 PHE Chi-restraints excluded: chain D residue 1147 ASP Chi-restraints excluded: chain D residue 1154 ASP Chi-restraints excluded: chain D residue 1155 LEU Chi-restraints excluded: chain D residue 1158 ASN Chi-restraints excluded: chain D residue 1163 THR Chi-restraints excluded: chain D residue 1168 VAL Chi-restraints excluded: chain D residue 1169 LEU Chi-restraints excluded: chain D residue 1171 SER Chi-restraints excluded: chain D residue 1173 SER Chi-restraints excluded: chain D residue 1190 PRO Chi-restraints excluded: chain D residue 1192 CYS Chi-restraints excluded: chain D residue 1202 LEU Chi-restraints excluded: chain D residue 1204 LEU Chi-restraints excluded: chain D residue 1208 VAL Chi-restraints excluded: chain D residue 1228 ILE Chi-restraints excluded: chain D residue 1229 ASN Chi-restraints excluded: chain D residue 1234 VAL Chi-restraints excluded: chain D residue 1241 SER Chi-restraints excluded: chain D residue 1263 THR Chi-restraints excluded: chain D residue 1269 CYS Chi-restraints excluded: chain D residue 1271 ARG Chi-restraints excluded: chain D residue 1282 SER Chi-restraints excluded: chain D residue 1286 MET Chi-restraints excluded: chain D residue 1287 LEU Chi-restraints excluded: chain D residue 1296 GLN Chi-restraints excluded: chain D residue 1431 THR Chi-restraints excluded: chain D residue 1432 THR Chi-restraints excluded: chain D residue 1460 HIS Chi-restraints excluded: chain D residue 1462 MET Chi-restraints excluded: chain D residue 1467 SER Chi-restraints excluded: chain D residue 1469 VAL Chi-restraints excluded: chain D residue 1472 VAL Chi-restraints excluded: chain D residue 1576 SER Chi-restraints excluded: chain D residue 1579 MET Chi-restraints excluded: chain D residue 1597 VAL Chi-restraints excluded: chain D residue 1599 MET Chi-restraints excluded: chain D residue 1624 LEU Chi-restraints excluded: chain D residue 1647 CYS Chi-restraints excluded: chain D residue 1673 VAL Chi-restraints excluded: chain D residue 1687 SER Chi-restraints excluded: chain D residue 1689 VAL Chi-restraints excluded: chain D residue 1699 GLU Chi-restraints excluded: chain D residue 1700 ASP Chi-restraints excluded: chain D residue 1706 PRO Chi-restraints excluded: chain D residue 1733 GLU Chi-restraints excluded: chain D residue 1736 VAL Chi-restraints excluded: chain D residue 1738 LEU Chi-restraints excluded: chain D residue 1760 HIS Chi-restraints excluded: chain D residue 1765 VAL Chi-restraints excluded: chain D residue 1772 ARG Chi-restraints excluded: chain D residue 1778 SER Chi-restraints excluded: chain D residue 1802 ILE Chi-restraints excluded: chain D residue 1812 LEU Chi-restraints excluded: chain D residue 1834 VAL Chi-restraints excluded: chain D residue 1837 GLN Chi-restraints excluded: chain D residue 1934 SER Chi-restraints excluded: chain D residue 1955 VAL Chi-restraints excluded: chain D residue 1961 PHE Chi-restraints excluded: chain D residue 1969 LEU Chi-restraints excluded: chain D residue 1987 SER Chi-restraints excluded: chain D residue 1995 THR Chi-restraints excluded: chain D residue 2000 SER Chi-restraints excluded: chain D residue 2020 ASP Chi-restraints excluded: chain D residue 2030 ASP Chi-restraints excluded: chain D residue 2037 ASP Chi-restraints excluded: chain D residue 2039 LEU Chi-restraints excluded: chain D residue 2093 SER Chi-restraints excluded: chain D residue 2094 LEU Chi-restraints excluded: chain D residue 2097 LEU Chi-restraints excluded: chain D residue 2148 SER Chi-restraints excluded: chain D residue 2156 LEU Chi-restraints excluded: chain D residue 2165 LEU Chi-restraints excluded: chain D residue 2167 ILE Chi-restraints excluded: chain D residue 2170 MET Chi-restraints excluded: chain D residue 2186 MET Chi-restraints excluded: chain D residue 2187 ASN Chi-restraints excluded: chain D residue 2228 MET Chi-restraints excluded: chain D residue 2229 VAL Chi-restraints excluded: chain D residue 2238 TYR Chi-restraints excluded: chain D residue 2244 ARG Chi-restraints excluded: chain D residue 2270 SER Chi-restraints excluded: chain D residue 2274 ASP Chi-restraints excluded: chain D residue 2275 VAL Chi-restraints excluded: chain D residue 2280 VAL Chi-restraints excluded: chain D residue 2281 ILE Chi-restraints excluded: chain D residue 2294 ASP Chi-restraints excluded: chain D residue 2295 LEU Chi-restraints excluded: chain D residue 2299 VAL Chi-restraints excluded: chain D residue 2324 ASN Chi-restraints excluded: chain D residue 2336 ARG Chi-restraints excluded: chain D residue 2341 VAL Chi-restraints excluded: chain D residue 2353 VAL Chi-restraints excluded: chain D residue 2368 LEU Chi-restraints excluded: chain D residue 2416 VAL Chi-restraints excluded: chain D residue 2417 HIS Chi-restraints excluded: chain D residue 2442 LEU Chi-restraints excluded: chain D residue 2454 ARG Chi-restraints excluded: chain D residue 2460 LEU Chi-restraints excluded: chain D residue 2464 ASP 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 3661 TRP Chi-restraints excluded: chain D residue 3669 PHE Chi-restraints excluded: chain D residue 3676 ASP Chi-restraints excluded: chain D residue 3711 THR Chi-restraints excluded: chain D residue 3732 SER Chi-restraints excluded: chain D residue 3752 SER Chi-restraints excluded: chain D residue 3772 THR Chi-restraints excluded: chain D residue 3779 VAL Chi-restraints excluded: chain D residue 3803 SER Chi-restraints excluded: chain D residue 3822 ASP Chi-restraints excluded: chain D residue 3852 LYS Chi-restraints excluded: chain D residue 3870 ASN Chi-restraints excluded: chain D residue 3874 VAL Chi-restraints excluded: chain D residue 3916 ILE Chi-restraints excluded: chain D residue 3930 ILE Chi-restraints excluded: chain D residue 3969 ILE Chi-restraints excluded: chain D residue 3995 VAL Chi-restraints excluded: chain D residue 4018 ASP 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 4049 VAL Chi-restraints excluded: chain D residue 4061 PHE Chi-restraints excluded: chain D residue 4067 LYS Chi-restraints excluded: chain D residue 4072 VAL Chi-restraints excluded: chain D residue 4079 ASP Chi-restraints excluded: chain D residue 4081 VAL Chi-restraints excluded: chain D residue 4082 THR Chi-restraints excluded: chain D residue 4087 LEU Chi-restraints excluded: chain D residue 4088 ILE Chi-restraints excluded: chain D residue 4089 SER Chi-restraints excluded: chain D residue 4106 PRO Chi-restraints excluded: chain D residue 4110 PHE Chi-restraints excluded: chain D residue 4111 LEU Chi-restraints excluded: chain D residue 4125 PHE Chi-restraints excluded: chain D residue 4135 PRO Chi-restraints excluded: chain D residue 4145 VAL Chi-restraints excluded: chain D residue 4154 VAL Chi-restraints excluded: chain D residue 4170 ILE Chi-restraints excluded: chain D residue 4178 LEU Chi-restraints excluded: chain D residue 4200 THR Chi-restraints excluded: chain D residue 4202 ARG Chi-restraints excluded: chain D residue 4242 ILE 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 4582 VAL Chi-restraints excluded: chain D residue 4645 CYS Chi-restraints excluded: chain D residue 4669 VAL Chi-restraints excluded: chain D residue 4684 ASP Chi-restraints excluded: chain D residue 4689 THR Chi-restraints excluded: chain D residue 4761 PRO Chi-restraints excluded: chain D residue 4771 ILE Chi-restraints excluded: chain D residue 4816 ILE Chi-restraints excluded: chain D residue 4818 MET Chi-restraints excluded: chain D residue 4825 THR Chi-restraints excluded: chain D residue 4838 VAL Chi-restraints excluded: chain D residue 4881 THR Chi-restraints excluded: chain D residue 4901 ILE Chi-restraints excluded: chain D residue 4918 ILE Chi-restraints excluded: chain D residue 4954 MET Chi-restraints excluded: chain D residue 4957 LYS Chi-restraints excluded: chain D residue 4966 ASP Chi-restraints excluded: chain D residue 4980 LEU Chi-restraints excluded: chain D residue 4992 LEU Chi-restraints excluded: chain D residue 5002 GLU Rotamers are restrained with sigma=4.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 0 random chunks: chunk None optimal weight: 5.9990 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 624 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 725 HIS A 921 ASN A1165 ASN ** A1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A1296 GLN ** A1443 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A1598 GLN A1696 HIS ** A2005 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A2032 GLN ** A2107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2260 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2268 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A2351 ASN ** A2444 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3667 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A3895 HIS A4650 HIS ** A4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A5003 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B 12 GLN ** B 624 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B 725 HIS ** B 879 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B 921 ASN ** B1127 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B1165 ASN B1296 GLN B1598 GLN B1696 HIS ** B2005 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2260 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2268 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2444 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B3895 HIS B4650 HIS ** B4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 379 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 624 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 725 HIS C 921 ASN ** C1127 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C1165 ASN ** C1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C1296 GLN C1598 GLN C1696 HIS ** C2005 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2260 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C2268 GLN ** C2444 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C3895 HIS C4650 HIS ** C4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C5003 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D 12 GLN D 79 GLN ** D 379 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 624 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D 725 HIS D 921 ASN ** D1127 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1165 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D1296 GLN D1598 GLN ** D2005 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D2032 GLN ** D2107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2260 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2268 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2444 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D3667 HIS ** D3867 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D3895 HIS D4650 HIS D4832 HIS ** D4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D5003 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 39 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7805 moved from start: 0.7654 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.060 0.677 113365 Z= 3.840 Angle : 2.878 44.208 154462 Z= 1.522 Chirality : 0.185 1.337 18087 Planarity : 0.020 0.452 20349 Dihedral : 14.008 173.819 17074 Min Nonbonded Distance : 1.335 Molprobity Statistics. All-atom Clashscore : 47.52 Ramachandran Plot: Outliers : 2.77 % Allowed : 21.56 % Favored : 75.67 % Rotamer: Outliers : 20.21 % Allowed : 22.14 % Favored : 57.65 % Cbeta Deviations : 0.92 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 6.56 % Twisted General : 2.32 % 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: -6.26 (0.05), residues: 12368 helix: -4.02 (0.04), residues: 5700 sheet: -3.11 (0.12), residues: 1420 loop : -4.54 (0.06), residues: 5248 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.071 0.012 TRP A1132 HIS 0.065 0.008 HIS B4832 PHE 0.116 0.013 PHE A4103 TYR 0.080 0.012 TYR B4994 ARG 0.033 0.003 ARG D4192 *********************** REFINEMENT MACRO_CYCLE 3 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 24736 Ramachandran restraints generated. 12368 Oldfield, 0 Emsley, 12368 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 24736 Ramachandran restraints generated. 12368 Oldfield, 0 Emsley, 12368 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 2854 residues out of total 10876 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 1964 poor density : 890 time to evaluate : 8.817 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: A 65 CYS cc_start: 0.8491 (m) cc_final: 0.7989 (t) REVERT: A 99 ARG cc_start: 0.6794 (OUTLIER) cc_final: 0.6559 (ttt180) REVERT: A 127 MET cc_start: 0.6108 (ttp) cc_final: 0.5800 (ttp) REVERT: A 157 ARG cc_start: 0.7124 (OUTLIER) cc_final: 0.6885 (mmt-90) REVERT: A 169 LEU cc_start: 0.6965 (OUTLIER) cc_final: 0.6658 (mt) REVERT: A 170 ILE cc_start: 0.6536 (OUTLIER) cc_final: 0.6328 (mt) REVERT: A 244 LEU cc_start: 0.8609 (mt) cc_final: 0.8192 (mt) REVERT: A 246 TYR cc_start: 0.6939 (m-80) cc_final: 0.6347 (m-80) REVERT: A 281 ARG cc_start: 0.5868 (OUTLIER) cc_final: 0.5136 (mtt180) REVERT: A 317 ARG cc_start: 0.7492 (OUTLIER) cc_final: 0.6773 (mmp80) REVERT: A 319 SER cc_start: 0.4849 (OUTLIER) cc_final: 0.4366 (p) REVERT: A 334 MET cc_start: 0.7143 (mmm) cc_final: 0.6780 (mmp) REVERT: A 357 LEU cc_start: 0.4424 (OUTLIER) cc_final: 0.4197 (mp) REVERT: A 388 LEU cc_start: 0.6601 (OUTLIER) cc_final: 0.6366 (mt) REVERT: A 411 TYR cc_start: 0.8677 (m-80) cc_final: 0.8358 (m-80) REVERT: A 477 LEU cc_start: 0.8285 (OUTLIER) cc_final: 0.8020 (mt) REVERT: A 481 GLU cc_start: 0.7981 (OUTLIER) cc_final: 0.7454 (mp0) REVERT: A 510 GLU cc_start: 0.6610 (OUTLIER) cc_final: 0.6228 (mm-30) REVERT: A 575 LEU cc_start: 0.9016 (OUTLIER) cc_final: 0.8751 (mp) REVERT: A 625 LEU cc_start: 0.5767 (OUTLIER) cc_final: 0.5183 (tp) REVERT: A 629 ARG cc_start: 0.8595 (OUTLIER) cc_final: 0.6983 (mmt90) REVERT: A 663 TYR cc_start: 0.3370 (OUTLIER) cc_final: 0.1007 (t80) REVERT: A 667 MET cc_start: 0.7452 (OUTLIER) cc_final: 0.6692 (tmm) REVERT: A 686 TRP cc_start: 0.6358 (m100) cc_final: 0.6003 (m100) REVERT: A 710 ASP cc_start: 0.8408 (OUTLIER) cc_final: 0.7881 (p0) REVERT: A 712 TYR cc_start: 0.7158 (m-10) cc_final: 0.6929 (m-10) REVERT: A 800 PHE cc_start: 0.6618 (OUTLIER) cc_final: 0.5958 (m-80) REVERT: A 822 ARG cc_start: 0.6573 (OUTLIER) cc_final: 0.5172 (ptt-90) REVERT: A 844 ARG cc_start: 0.5711 (OUTLIER) cc_final: 0.4358 (mmm-85) REVERT: A 961 MET cc_start: 0.5176 (OUTLIER) cc_final: 0.4240 (ptt) REVERT: A 970 LEU cc_start: 0.3103 (OUTLIER) cc_final: 0.2318 (pt) REVERT: A 1122 TYR cc_start: 0.7842 (m-80) cc_final: 0.7284 (m-10) REVERT: A 1131 ARG cc_start: 0.7547 (OUTLIER) cc_final: 0.7311 (ptt180) REVERT: A 1137 GLU cc_start: 0.7775 (OUTLIER) cc_final: 0.7275 (mm-30) REVERT: A 1141 ARG cc_start: 0.8020 (OUTLIER) cc_final: 0.7820 (ptt90) REVERT: A 1144 GLN cc_start: 0.8272 (pm20) cc_final: 0.8066 (pm20) REVERT: A 1254 HIS cc_start: 0.7912 (OUTLIER) cc_final: 0.7470 (p90) REVERT: A 1271 ARG cc_start: 0.7637 (OUTLIER) cc_final: 0.7288 (ttp-110) REVERT: A 1580 PHE cc_start: 0.8360 (OUTLIER) cc_final: 0.6368 (t80) REVERT: A 1600 LEU cc_start: 0.9047 (OUTLIER) cc_final: 0.8096 (tp) REVERT: A 1654 SER cc_start: 0.8461 (OUTLIER) cc_final: 0.8157 (t) REVERT: A 1657 LEU cc_start: 0.9312 (OUTLIER) cc_final: 0.9025 (mp) REVERT: A 1700 ASP cc_start: 0.8643 (OUTLIER) cc_final: 0.8258 (m-30) REVERT: A 1733 GLU cc_start: 0.8239 (OUTLIER) cc_final: 0.6905 (mp0) REVERT: A 1772 ARG cc_start: 0.8781 (OUTLIER) cc_final: 0.8433 (mtt-85) REVERT: A 1815 LEU cc_start: 0.9039 (OUTLIER) cc_final: 0.8383 (mp) REVERT: A 1869 GLU cc_start: 0.8588 (OUTLIER) cc_final: 0.8366 (tm-30) REVERT: A 1993 ARG cc_start: 0.6068 (OUTLIER) cc_final: 0.5379 (mtm-85) REVERT: A 2039 LEU cc_start: 0.8658 (OUTLIER) cc_final: 0.8233 (mp) REVERT: A 2092 GLN cc_start: 0.7562 (mm-40) cc_final: 0.7236 (mm-40) REVERT: A 2169 GLN cc_start: 0.8719 (OUTLIER) cc_final: 0.8022 (tt0) REVERT: A 2170 MET cc_start: 0.7724 (OUTLIER) cc_final: 0.6703 (tmm) REVERT: A 2227 LYS cc_start: 0.8613 (OUTLIER) cc_final: 0.8278 (ttmm) REVERT: A 2244 ARG cc_start: 0.8017 (OUTLIER) cc_final: 0.7302 (mtp85) REVERT: A 2265 LEU cc_start: 0.6947 (mp) cc_final: 0.6727 (mm) REVERT: A 2284 ASN cc_start: 0.7865 (OUTLIER) cc_final: 0.7224 (t0) REVERT: A 2295 LEU cc_start: 0.7948 (OUTLIER) cc_final: 0.7576 (mm) REVERT: A 2296 GLU cc_start: 0.8827 (OUTLIER) cc_final: 0.8376 (tp30) REVERT: A 2416 VAL cc_start: 0.8151 (OUTLIER) cc_final: 0.7881 (t) REVERT: A 3669 PHE cc_start: 0.8582 (OUTLIER) cc_final: 0.8195 (p90) REVERT: A 3707 ARG cc_start: 0.8454 (OUTLIER) cc_final: 0.8189 (ttt90) REVERT: A 3758 MET cc_start: 0.7558 (tpp) cc_final: 0.7148 (tpp) REVERT: A 3837 GLN cc_start: 0.9017 (OUTLIER) cc_final: 0.8501 (mt0) REVERT: A 3869 GLN cc_start: 0.6829 (OUTLIER) cc_final: 0.6431 (pm20) REVERT: A 3904 ARG cc_start: 0.9171 (OUTLIER) cc_final: 0.8717 (ttp-110) REVERT: A 3916 ILE cc_start: 0.8804 (OUTLIER) cc_final: 0.8572 (mt) REVERT: A 3924 LEU cc_start: 0.8953 (OUTLIER) cc_final: 0.8562 (tt) REVERT: A 4075 GLU cc_start: 0.5227 (OUTLIER) cc_final: 0.4665 (pt0) REVERT: A 4102 GLN cc_start: 0.5362 (OUTLIER) cc_final: 0.4930 (pt0) REVERT: A 4107 GLU cc_start: 0.8064 (OUTLIER) cc_final: 0.7714 (pp20) REVERT: A 4110 PHE cc_start: 0.3122 (OUTLIER) cc_final: 0.2335 (m-80) REVERT: A 4135 PRO cc_start: 0.7617 (OUTLIER) cc_final: 0.7310 (Cg_endo) REVERT: A 4202 ARG cc_start: 0.8409 (OUTLIER) cc_final: 0.6802 (tpp80) REVERT: A 4232 GLU cc_start: 0.9044 (OUTLIER) cc_final: 0.8178 (tt0) REVERT: A 4244 GLU cc_start: 0.8904 (OUTLIER) cc_final: 0.8074 (mm-30) REVERT: A 4741 LEU cc_start: 0.9235 (OUTLIER) cc_final: 0.8708 (mp) REVERT: A 4796 MET cc_start: 0.8892 (OUTLIER) cc_final: 0.7996 (tpt) REVERT: A 4836 GLN cc_start: 0.9153 (OUTLIER) cc_final: 0.8361 (mt0) REVERT: A 4839 MET cc_start: 0.9228 (mmm) cc_final: 0.8977 (mtp) REVERT: A 4948 GLU cc_start: 0.8788 (OUTLIER) cc_final: 0.8166 (mp0) REVERT: A 4989 MET cc_start: 0.9271 (OUTLIER) cc_final: 0.8758 (tmm) REVERT: B 65 CYS cc_start: 0.8453 (m) cc_final: 0.7972 (t) REVERT: B 127 MET cc_start: 0.6130 (ttp) cc_final: 0.5863 (ttp) REVERT: B 157 ARG cc_start: 0.7128 (OUTLIER) cc_final: 0.6889 (mmt-90) REVERT: B 169 LEU cc_start: 0.6917 (OUTLIER) cc_final: 0.6591 (mt) REVERT: B 244 LEU cc_start: 0.8615 (mt) cc_final: 0.8177 (mt) REVERT: B 246 TYR cc_start: 0.6959 (m-80) cc_final: 0.6300 (m-80) REVERT: B 317 ARG cc_start: 0.7478 (OUTLIER) cc_final: 0.6769 (mmp80) REVERT: B 319 SER cc_start: 0.5254 (OUTLIER) cc_final: 0.4704 (p) REVERT: B 334 MET cc_start: 0.7166 (mmm) cc_final: 0.6604 (mmp) REVERT: B 357 LEU cc_start: 0.4416 (OUTLIER) cc_final: 0.4174 (mp) REVERT: B 388 LEU cc_start: 0.6530 (OUTLIER) cc_final: 0.6289 (mt) REVERT: B 505 GLU cc_start: 0.6380 (OUTLIER) cc_final: 0.6157 (mp0) REVERT: B 529 LEU cc_start: 0.8793 (OUTLIER) cc_final: 0.8521 (tp) REVERT: B 575 LEU cc_start: 0.9041 (OUTLIER) cc_final: 0.8797 (mp) REVERT: B 625 LEU cc_start: 0.5839 (OUTLIER) cc_final: 0.5267 (tp) REVERT: B 629 ARG cc_start: 0.8599 (OUTLIER) cc_final: 0.6816 (mmt90) REVERT: B 662 TRP cc_start: 0.6450 (m100) cc_final: 0.6089 (m100) REVERT: B 667 MET cc_start: 0.7585 (OUTLIER) cc_final: 0.7325 (tmm) REVERT: B 686 TRP cc_start: 0.6325 (m100) cc_final: 0.5844 (m100) REVERT: B 710 ASP cc_start: 0.8432 (OUTLIER) cc_final: 0.7902 (p0) REVERT: B 712 TYR cc_start: 0.7088 (m-10) cc_final: 0.6862 (m-10) REVERT: B 768 PHE cc_start: 0.6344 (OUTLIER) cc_final: 0.5961 (m-80) REVERT: B 800 PHE cc_start: 0.6575 (OUTLIER) cc_final: 0.5865 (m-80) REVERT: B 822 ARG cc_start: 0.6529 (OUTLIER) cc_final: 0.5107 (ptt-90) REVERT: B 844 ARG cc_start: 0.5712 (OUTLIER) cc_final: 0.4359 (mmm-85) REVERT: B 961 MET cc_start: 0.4883 (mtt) cc_final: 0.4114 (ptt) REVERT: B 970 LEU cc_start: 0.3911 (OUTLIER) cc_final: 0.3178 (pt) REVERT: B 977 LEU cc_start: 0.2611 (OUTLIER) cc_final: 0.2140 (tt) REVERT: B 1131 ARG cc_start: 0.7554 (OUTLIER) cc_final: 0.7322 (ptt180) REVERT: B 1137 GLU cc_start: 0.7799 (OUTLIER) cc_final: 0.7262 (mm-30) REVERT: B 1141 ARG cc_start: 0.8015 (OUTLIER) cc_final: 0.7786 (ptt90) REVERT: B 1254 HIS cc_start: 0.7706 (OUTLIER) cc_final: 0.7334 (p90) REVERT: B 1256 GLU cc_start: 0.7050 (OUTLIER) cc_final: 0.6800 (mm-30) REVERT: B 1271 ARG cc_start: 0.7590 (OUTLIER) cc_final: 0.7264 (ttp-110) REVERT: B 1457 TYR cc_start: 0.7688 (OUTLIER) cc_final: 0.7399 (m-80) REVERT: B 1489 CYS cc_start: 0.4964 (OUTLIER) cc_final: 0.4064 (t) REVERT: B 1580 PHE cc_start: 0.8494 (OUTLIER) cc_final: 0.6445 (t80) REVERT: B 1583 GLU cc_start: 0.5637 (OUTLIER) cc_final: 0.4037 (mm-30) REVERT: B 1600 LEU cc_start: 0.9027 (OUTLIER) cc_final: 0.8066 (tp) REVERT: B 1601 MET cc_start: 0.8206 (mtt) cc_final: 0.7980 (mtp) REVERT: B 1657 LEU cc_start: 0.9307 (OUTLIER) cc_final: 0.9032 (mp) REVERT: B 1700 ASP cc_start: 0.8603 (OUTLIER) cc_final: 0.8225 (m-30) REVERT: B 1733 GLU cc_start: 0.8252 (OUTLIER) cc_final: 0.6906 (mp0) REVERT: B 1772 ARG cc_start: 0.8772 (OUTLIER) cc_final: 0.8367 (mtt-85) REVERT: B 1815 LEU cc_start: 0.9061 (OUTLIER) cc_final: 0.8400 (mp) REVERT: B 1869 GLU cc_start: 0.8714 (OUTLIER) cc_final: 0.8456 (tm-30) REVERT: B 1993 ARG cc_start: 0.5926 (OUTLIER) cc_final: 0.5726 (mtm-85) REVERT: B 2039 LEU cc_start: 0.8703 (OUTLIER) cc_final: 0.8251 (mp) REVERT: B 2092 GLN cc_start: 0.7561 (mm-40) cc_final: 0.7247 (mm-40) REVERT: B 2169 GLN cc_start: 0.8738 (OUTLIER) cc_final: 0.8052 (tt0) REVERT: B 2170 MET cc_start: 0.7713 (OUTLIER) cc_final: 0.6729 (tmm) REVERT: B 2227 LYS cc_start: 0.8604 (OUTLIER) cc_final: 0.8257 (ttmm) REVERT: B 2244 ARG cc_start: 0.8042 (OUTLIER) cc_final: 0.7313 (mtp85) REVERT: B 2265 LEU cc_start: 0.6914 (mp) cc_final: 0.6691 (mm) REVERT: B 2295 LEU cc_start: 0.7954 (OUTLIER) cc_final: 0.7595 (mm) REVERT: B 2377 LEU cc_start: 0.5438 (OUTLIER) cc_final: 0.5209 (mm) REVERT: B 2416 VAL cc_start: 0.8156 (OUTLIER) cc_final: 0.7888 (t) REVERT: B 3707 ARG cc_start: 0.8436 (OUTLIER) cc_final: 0.8165 (ttt90) REVERT: B 3758 MET cc_start: 0.7533 (tpp) cc_final: 0.7119 (tpp) REVERT: B 3837 GLN cc_start: 0.9026 (OUTLIER) cc_final: 0.8502 (mt0) REVERT: B 3904 ARG cc_start: 0.9185 (OUTLIER) cc_final: 0.8731 (ttp-110) REVERT: B 3916 ILE cc_start: 0.8812 (OUTLIER) cc_final: 0.8589 (mt) REVERT: B 3924 LEU cc_start: 0.8947 (OUTLIER) cc_final: 0.8555 (tt) REVERT: B 4014 LYS cc_start: 0.6232 (OUTLIER) cc_final: 0.5651 (ptmt) REVERT: B 4110 PHE cc_start: 0.3163 (OUTLIER) cc_final: 0.2407 (m-80) REVERT: B 4135 PRO cc_start: 0.7618 (OUTLIER) cc_final: 0.7320 (Cg_endo) REVERT: B 4202 ARG cc_start: 0.8433 (OUTLIER) cc_final: 0.6847 (tpp80) REVERT: B 4232 GLU cc_start: 0.9032 (OUTLIER) cc_final: 0.8156 (tt0) REVERT: B 4244 GLU cc_start: 0.8899 (OUTLIER) cc_final: 0.8083 (mm-30) REVERT: B 4741 LEU cc_start: 0.9227 (OUTLIER) cc_final: 0.8728 (mp) REVERT: B 4796 MET cc_start: 0.8894 (OUTLIER) cc_final: 0.8001 (tpt) REVERT: B 4836 GLN cc_start: 0.9180 (OUTLIER) cc_final: 0.8394 (mt0) REVERT: B 4948 GLU cc_start: 0.8780 (OUTLIER) cc_final: 0.8093 (mp0) REVERT: C 65 CYS cc_start: 0.8485 (m) cc_final: 0.7996 (t) REVERT: C 127 MET cc_start: 0.6115 (ttp) cc_final: 0.5810 (ttp) REVERT: C 157 ARG cc_start: 0.7135 (OUTLIER) cc_final: 0.6841 (mmt-90) REVERT: C 169 LEU cc_start: 0.6936 (OUTLIER) cc_final: 0.6601 (mt) REVERT: C 244 LEU cc_start: 0.8608 (mt) cc_final: 0.8170 (mt) REVERT: C 246 TYR cc_start: 0.6944 (m-80) cc_final: 0.6284 (m-80) REVERT: C 281 ARG cc_start: 0.5871 (OUTLIER) cc_final: 0.5159 (mtt180) REVERT: C 317 ARG cc_start: 0.7491 (OUTLIER) cc_final: 0.6713 (mmp80) REVERT: C 319 SER cc_start: 0.4794 (OUTLIER) cc_final: 0.4329 (p) REVERT: C 334 MET cc_start: 0.7059 (mmm) cc_final: 0.6676 (mmp) REVERT: C 356 TRP cc_start: 0.6341 (m-90) cc_final: 0.5579 (m-90) REVERT: C 388 LEU cc_start: 0.6676 (OUTLIER) cc_final: 0.6473 (mt) REVERT: C 477 LEU cc_start: 0.8283 (OUTLIER) cc_final: 0.8038 (mt) REVERT: C 481 GLU cc_start: 0.7961 (OUTLIER) cc_final: 0.7441 (mp0) REVERT: C 484 LEU cc_start: 0.8623 (OUTLIER) cc_final: 0.8398 (tt) REVERT: C 505 GLU cc_start: 0.6406 (OUTLIER) cc_final: 0.6173 (mp0) REVERT: C 529 LEU cc_start: 0.8805 (OUTLIER) cc_final: 0.8540 (tp) REVERT: C 575 LEU cc_start: 0.9024 (OUTLIER) cc_final: 0.8771 (mp) REVERT: C 625 LEU cc_start: 0.5834 (OUTLIER) cc_final: 0.5247 (tp) REVERT: C 629 ARG cc_start: 0.8572 (OUTLIER) cc_final: 0.6969 (mmt90) REVERT: C 667 MET cc_start: 0.7688 (OUTLIER) cc_final: 0.7442 (tmm) REVERT: C 686 TRP cc_start: 0.6313 (m100) cc_final: 0.5889 (m100) REVERT: C 710 ASP cc_start: 0.8434 (OUTLIER) cc_final: 0.7906 (p0) REVERT: C 712 TYR cc_start: 0.7124 (m-10) cc_final: 0.6891 (m-10) REVERT: C 800 PHE cc_start: 0.6635 (OUTLIER) cc_final: 0.5917 (m-80) REVERT: C 822 ARG cc_start: 0.6561 (OUTLIER) cc_final: 0.5268 (ptt-90) REVERT: C 844 ARG cc_start: 0.5751 (OUTLIER) cc_final: 0.4444 (mmm-85) REVERT: C 866 HIS cc_start: 0.6901 (OUTLIER) cc_final: 0.5557 (t-170) REVERT: C 933 LEU cc_start: 0.4460 (OUTLIER) cc_final: 0.4059 (pp) REVERT: C 961 MET cc_start: 0.5056 (OUTLIER) cc_final: 0.4108 (ptt) REVERT: C 970 LEU cc_start: 0.3138 (OUTLIER) cc_final: 0.2372 (pt) REVERT: C 977 LEU cc_start: 0.3001 (OUTLIER) cc_final: 0.2576 (tp) REVERT: C 1122 TYR cc_start: 0.7862 (m-80) cc_final: 0.7322 (m-10) REVERT: C 1131 ARG cc_start: 0.7556 (OUTLIER) cc_final: 0.7324 (ptt180) REVERT: C 1137 GLU cc_start: 0.7801 (OUTLIER) cc_final: 0.7257 (mm-30) REVERT: C 1254 HIS cc_start: 0.7866 (OUTLIER) cc_final: 0.7455 (p90) REVERT: C 1271 ARG cc_start: 0.7586 (OUTLIER) cc_final: 0.7185 (ttp-110) REVERT: C 1289 LEU cc_start: 0.8529 (OUTLIER) cc_final: 0.8192 (mp) REVERT: C 1457 TYR cc_start: 0.7766 (m-80) cc_final: 0.7549 (m-80) REVERT: C 1467 SER cc_start: 0.5633 (OUTLIER) cc_final: 0.5114 (t) REVERT: C 1600 LEU cc_start: 0.9028 (OUTLIER) cc_final: 0.8076 (tp) REVERT: C 1657 LEU cc_start: 0.9307 (OUTLIER) cc_final: 0.9030 (mp) REVERT: C 1700 ASP cc_start: 0.8614 (OUTLIER) cc_final: 0.8228 (m-30) REVERT: C 1733 GLU cc_start: 0.8229 (OUTLIER) cc_final: 0.6884 (mp0) REVERT: C 1772 ARG cc_start: 0.8768 (OUTLIER) cc_final: 0.8273 (mtt-85) REVERT: C 1815 LEU cc_start: 0.9032 (OUTLIER) cc_final: 0.8301 (mp) REVERT: C 1869 GLU cc_start: 0.8605 (OUTLIER) cc_final: 0.8383 (tm-30) REVERT: C 2039 LEU cc_start: 0.8656 (OUTLIER) cc_final: 0.8252 (mp) REVERT: C 2092 GLN cc_start: 0.7558 (mm-40) cc_final: 0.7239 (mm-40) REVERT: C 2169 GLN cc_start: 0.8743 (OUTLIER) cc_final: 0.8068 (tt0) REVERT: C 2170 MET cc_start: 0.7622 (OUTLIER) cc_final: 0.6670 (tmm) REVERT: C 2227 LYS cc_start: 0.8605 (OUTLIER) cc_final: 0.8269 (ttmm) REVERT: C 2244 ARG cc_start: 0.8048 (OUTLIER) cc_final: 0.7316 (mtp85) REVERT: C 2295 LEU cc_start: 0.7961 (OUTLIER) cc_final: 0.7581 (mm) REVERT: C 2296 GLU cc_start: 0.8822 (OUTLIER) cc_final: 0.8374 (tp30) REVERT: C 2416 VAL cc_start: 0.8135 (OUTLIER) cc_final: 0.7875 (t) REVERT: C 3707 ARG cc_start: 0.8450 (OUTLIER) cc_final: 0.8190 (ttt90) REVERT: C 3758 MET cc_start: 0.7542 (tpp) cc_final: 0.7122 (tpp) REVERT: C 3837 GLN cc_start: 0.9019 (OUTLIER) cc_final: 0.8495 (mt0) REVERT: C 3873 LYS cc_start: 0.8257 (OUTLIER) cc_final: 0.7636 (tppt) REVERT: C 3904 ARG cc_start: 0.9180 (OUTLIER) cc_final: 0.8696 (ttp-110) REVERT: C 3916 ILE cc_start: 0.8826 (OUTLIER) cc_final: 0.8604 (mt) REVERT: C 3924 LEU cc_start: 0.8947 (OUTLIER) cc_final: 0.8587 (tt) REVERT: C 4014 LYS cc_start: 0.6155 (OUTLIER) cc_final: 0.5816 (ptmt) REVERT: C 4110 PHE cc_start: 0.3210 (OUTLIER) cc_final: 0.2478 (m-80) REVERT: C 4135 PRO cc_start: 0.7634 (OUTLIER) cc_final: 0.7321 (Cg_endo) REVERT: C 4202 ARG cc_start: 0.8402 (OUTLIER) cc_final: 0.6823 (tpp80) REVERT: C 4232 GLU cc_start: 0.9039 (OUTLIER) cc_final: 0.8173 (tt0) REVERT: C 4244 GLU cc_start: 0.8912 (OUTLIER) cc_final: 0.8104 (mm-30) REVERT: C 4741 LEU cc_start: 0.9235 (OUTLIER) cc_final: 0.8742 (mp) REVERT: C 4836 GLN cc_start: 0.9165 (OUTLIER) cc_final: 0.8370 (mt0) REVERT: C 4948 GLU cc_start: 0.8776 (OUTLIER) cc_final: 0.8068 (mp0) REVERT: D 65 CYS cc_start: 0.8458 (m) cc_final: 0.7980 (t) REVERT: D 127 MET cc_start: 0.6104 (ttp) cc_final: 0.5780 (ttp) REVERT: D 157 ARG cc_start: 0.7133 (OUTLIER) cc_final: 0.6844 (mmt-90) REVERT: D 169 LEU cc_start: 0.6941 (OUTLIER) cc_final: 0.6636 (mt) REVERT: D 170 ILE cc_start: 0.6616 (OUTLIER) cc_final: 0.6415 (mt) REVERT: D 244 LEU cc_start: 0.8608 (mt) cc_final: 0.8172 (mt) REVERT: D 246 TYR cc_start: 0.6950 (m-80) cc_final: 0.6284 (m-80) REVERT: D 317 ARG cc_start: 0.7480 (OUTLIER) cc_final: 0.6741 (mmp80) REVERT: D 319 SER cc_start: 0.4929 (OUTLIER) cc_final: 0.4482 (p) REVERT: D 334 MET cc_start: 0.7173 (mmm) cc_final: 0.6643 (mmp) REVERT: D 357 LEU cc_start: 0.4403 (OUTLIER) cc_final: 0.4145 (mp) REVERT: D 388 LEU cc_start: 0.6620 (OUTLIER) cc_final: 0.6419 (mt) REVERT: D 477 LEU cc_start: 0.8286 (OUTLIER) cc_final: 0.8045 (mt) REVERT: D 481 GLU cc_start: 0.7988 (OUTLIER) cc_final: 0.7471 (mp0) REVERT: D 503 PHE cc_start: 0.7807 (OUTLIER) cc_final: 0.7559 (m-80) REVERT: D 521 LEU cc_start: 0.8796 (OUTLIER) cc_final: 0.8008 (mp) REVERT: D 575 LEU cc_start: 0.9016 (OUTLIER) cc_final: 0.8796 (mp) REVERT: D 625 LEU cc_start: 0.5849 (OUTLIER) cc_final: 0.5277 (tp) REVERT: D 629 ARG cc_start: 0.8602 (OUTLIER) cc_final: 0.6981 (mmt90) REVERT: D 667 MET cc_start: 0.7611 (OUTLIER) cc_final: 0.7222 (tmm) REVERT: D 710 ASP cc_start: 0.8387 (OUTLIER) cc_final: 0.7842 (p0) REVERT: D 800 PHE cc_start: 0.6582 (OUTLIER) cc_final: 0.6010 (m-10) REVERT: D 822 ARG cc_start: 0.6401 (OUTLIER) cc_final: 0.5031 (ptt-90) REVERT: D 844 ARG cc_start: 0.5767 (OUTLIER) cc_final: 0.4766 (mmm-85) REVERT: D 961 MET cc_start: 0.4696 (mtt) cc_final: 0.4215 (ptt) REVERT: D 970 LEU cc_start: 0.2882 (OUTLIER) cc_final: 0.2102 (pt) REVERT: D 1100 MET cc_start: 0.6822 (mtm) cc_final: 0.6506 (mtm) REVERT: D 1131 ARG cc_start: 0.7333 (OUTLIER) cc_final: 0.6808 (ptt180) REVERT: D 1137 GLU cc_start: 0.7886 (OUTLIER) cc_final: 0.7378 (mm-30) REVERT: D 1141 ARG cc_start: 0.7978 (OUTLIER) cc_final: 0.7767 (ptt90) REVERT: D 1152 MET cc_start: 0.7338 (OUTLIER) cc_final: 0.7127 (mmt) REVERT: D 1254 HIS cc_start: 0.7895 (OUTLIER) cc_final: 0.7484 (p90) REVERT: D 1271 ARG cc_start: 0.7546 (OUTLIER) cc_final: 0.7133 (ttp-110) REVERT: D 1580 PHE cc_start: 0.8463 (OUTLIER) cc_final: 0.6446 (t80) REVERT: D 1600 LEU cc_start: 0.9020 (OUTLIER) cc_final: 0.8077 (tp) REVERT: D 1601 MET cc_start: 0.8217 (mtt) cc_final: 0.7958 (mtp) REVERT: D 1661 ARG cc_start: 0.8812 (OUTLIER) cc_final: 0.8606 (ttm110) REVERT: D 1700 ASP cc_start: 0.8660 (OUTLIER) cc_final: 0.8277 (m-30) REVERT: D 1733 GLU cc_start: 0.8223 (OUTLIER) cc_final: 0.6902 (mp0) REVERT: D 1771 LEU cc_start: 0.9219 (OUTLIER) cc_final: 0.8990 (mp) REVERT: D 1772 ARG cc_start: 0.8768 (OUTLIER) cc_final: 0.8428 (mtt-85) REVERT: D 1815 LEU cc_start: 0.9017 (OUTLIER) cc_final: 0.8329 (mp) REVERT: D 1869 GLU cc_start: 0.8556 (OUTLIER) cc_final: 0.8344 (tm-30) REVERT: D 1993 ARG cc_start: 0.6023 (OUTLIER) cc_final: 0.5752 (mtm-85) REVERT: D 2039 LEU cc_start: 0.8659 (OUTLIER) cc_final: 0.8238 (mp) REVERT: D 2092 GLN cc_start: 0.7572 (mm-40) cc_final: 0.7250 (mm-40) REVERT: D 2169 GLN cc_start: 0.8741 (OUTLIER) cc_final: 0.8035 (tt0) REVERT: D 2170 MET cc_start: 0.7616 (OUTLIER) cc_final: 0.6706 (tmm) REVERT: D 2227 LYS cc_start: 0.8605 (OUTLIER) cc_final: 0.8279 (ttmm) REVERT: D 2244 ARG cc_start: 0.8080 (OUTLIER) cc_final: 0.7354 (mtp85) REVERT: D 2295 LEU cc_start: 0.7947 (OUTLIER) cc_final: 0.7577 (mm) REVERT: D 2296 GLU cc_start: 0.8838 (OUTLIER) cc_final: 0.8389 (tp30) REVERT: D 2416 VAL cc_start: 0.8136 (OUTLIER) cc_final: 0.7872 (t) REVERT: D 3696 ASP cc_start: 0.8861 (OUTLIER) cc_final: 0.8546 (p0) REVERT: D 3707 ARG cc_start: 0.8463 (OUTLIER) cc_final: 0.8200 (ttt90) REVERT: D 3758 MET cc_start: 0.7551 (tpp) cc_final: 0.7136 (tpp) REVERT: D 3837 GLN cc_start: 0.9062 (OUTLIER) cc_final: 0.8638 (mt0) REVERT: D 3869 GLN cc_start: 0.5394 (OUTLIER) cc_final: 0.4780 (pm20) REVERT: D 3904 ARG cc_start: 0.9180 (OUTLIER) cc_final: 0.8735 (ttp-110) REVERT: D 3916 ILE cc_start: 0.8842 (OUTLIER) cc_final: 0.8616 (mt) REVERT: D 3924 LEU cc_start: 0.8951 (OUTLIER) cc_final: 0.8561 (tt) REVERT: D 4087 LEU cc_start: 0.4932 (OUTLIER) cc_final: 0.4674 (tt) REVERT: D 4110 PHE cc_start: 0.3154 (OUTLIER) cc_final: 0.2405 (m-80) REVERT: D 4135 PRO cc_start: 0.7631 (OUTLIER) cc_final: 0.7324 (Cg_endo) REVERT: D 4202 ARG cc_start: 0.8408 (OUTLIER) cc_final: 0.6808 (tpp80) REVERT: D 4232 GLU cc_start: 0.9038 (OUTLIER) cc_final: 0.8169 (tt0) REVERT: D 4244 GLU cc_start: 0.8890 (OUTLIER) cc_final: 0.8057 (mm-30) REVERT: D 4741 LEU cc_start: 0.9239 (OUTLIER) cc_final: 0.8743 (mp) REVERT: D 4836 GLN cc_start: 0.9170 (OUTLIER) cc_final: 0.8385 (mt0) REVERT: D 4948 GLU cc_start: 0.8795 (OUTLIER) cc_final: 0.8155 (mp0) REVERT: D 4989 MET cc_start: 0.9261 (OUTLIER) cc_final: 0.8767 (tmm) outliers start: 1964 outliers final: 1220 residues processed: 2654 average time/residue: 0.8719 time to fit residues: 4095.3354 Evaluate side-chains 2337 residues out of total 10876 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 1468 poor density : 869 time to evaluate : 8.651 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 13 PHE Chi-restraints excluded: chain A residue 33 LEU Chi-restraints excluded: chain A residue 34 LYS Chi-restraints excluded: chain A residue 35 LEU Chi-restraints excluded: chain A residue 47 CYS Chi-restraints excluded: chain A residue 54 ASN Chi-restraints excluded: chain A residue 66 CYS Chi-restraints excluded: chain A residue 75 VAL Chi-restraints excluded: chain A residue 78 LEU Chi-restraints excluded: chain A residue 82 LEU Chi-restraints excluded: chain A residue 99 ARG Chi-restraints excluded: chain A residue 109 LEU Chi-restraints excluded: chain A residue 115 ARG Chi-restraints excluded: chain A residue 119 SER Chi-restraints excluded: chain A residue 125 ARG Chi-restraints excluded: chain A residue 128 THR Chi-restraints excluded: chain A residue 134 ASP Chi-restraints excluded: chain A residue 135 VAL Chi-restraints excluded: chain A residue 146 CYS Chi-restraints excluded: chain A residue 149 THR Chi-restraints excluded: chain A residue 156 GLN Chi-restraints excluded: chain A residue 157 ARG Chi-restraints excluded: chain A residue 169 LEU Chi-restraints excluded: chain A residue 170 ILE Chi-restraints excluded: chain A residue 184 THR Chi-restraints excluded: chain A residue 188 GLU Chi-restraints excluded: chain A residue 190 GLN Chi-restraints excluded: chain A residue 194 SER Chi-restraints excluded: chain A residue 210 GLU Chi-restraints excluded: chain A residue 215 THR Chi-restraints excluded: chain A residue 220 LEU Chi-restraints excluded: chain A residue 232 THR Chi-restraints excluded: chain A residue 255 HIS Chi-restraints excluded: chain A residue 257 ARG Chi-restraints excluded: chain A residue 258 SER Chi-restraints excluded: chain A residue 264 PRO Chi-restraints excluded: chain A residue 266 ARG Chi-restraints excluded: chain A residue 272 SER Chi-restraints excluded: chain A residue 281 ARG Chi-restraints excluded: chain A residue 286 THR Chi-restraints excluded: chain A residue 290 TYR Chi-restraints excluded: chain A residue 291 LEU Chi-restraints excluded: chain A residue 301 VAL Chi-restraints excluded: chain A residue 305 CYS Chi-restraints excluded: chain A residue 309 THR Chi-restraints excluded: chain A residue 312 THR Chi-restraints excluded: chain A residue 317 ARG Chi-restraints excluded: chain A residue 319 SER Chi-restraints excluded: chain A residue 320 LYS Chi-restraints excluded: chain A residue 322 LYS Chi-restraints excluded: chain A residue 339 ILE Chi-restraints excluded: chain A residue 348 VAL Chi-restraints excluded: chain A residue 353 SER Chi-restraints excluded: chain A residue 357 LEU Chi-restraints excluded: chain A residue 358 THR Chi-restraints excluded: chain A residue 363 ASP Chi-restraints excluded: chain A residue 374 LYS Chi-restraints excluded: chain A residue 384 MET Chi-restraints excluded: chain A residue 388 LEU Chi-restraints excluded: chain A residue 389 PHE Chi-restraints excluded: chain A residue 397 GLU Chi-restraints excluded: chain A residue 404 ILE Chi-restraints excluded: chain A residue 405 HIS Chi-restraints excluded: chain A residue 441 VAL Chi-restraints excluded: chain A residue 442 ILE Chi-restraints excluded: chain A residue 447 ASP Chi-restraints excluded: chain A residue 448 LEU Chi-restraints excluded: chain A residue 456 SER Chi-restraints excluded: chain A residue 477 LEU Chi-restraints excluded: chain A residue 481 GLU Chi-restraints excluded: chain A residue 494 LEU Chi-restraints excluded: chain A residue 510 GLU Chi-restraints excluded: chain A residue 529 LEU Chi-restraints excluded: chain A residue 530 ILE Chi-restraints excluded: chain A residue 540 PHE Chi-restraints excluded: chain A residue 545 ASP Chi-restraints excluded: chain A residue 549 SER Chi-restraints excluded: chain A residue 551 LEU Chi-restraints excluded: chain A residue 552 ASP Chi-restraints excluded: chain A residue 560 ILE Chi-restraints excluded: chain A residue 569 ILE Chi-restraints excluded: chain A residue 575 LEU Chi-restraints excluded: chain A residue 577 ILE Chi-restraints excluded: chain A residue 578 ILE Chi-restraints excluded: chain A residue 580 GLU Chi-restraints excluded: chain A residue 593 HIS Chi-restraints excluded: chain A residue 605 SER Chi-restraints excluded: chain A residue 612 VAL Chi-restraints excluded: chain A residue 621 ILE Chi-restraints excluded: chain A residue 625 LEU Chi-restraints excluded: chain A residue 629 ARG Chi-restraints excluded: chain A residue 637 LEU Chi-restraints excluded: chain A residue 659 TYR Chi-restraints excluded: chain A residue 663 TYR Chi-restraints excluded: chain A residue 666 VAL Chi-restraints excluded: chain A residue 667 MET Chi-restraints excluded: chain A residue 672 VAL Chi-restraints excluded: chain A residue 675 LEU Chi-restraints excluded: chain A residue 682 LEU Chi-restraints excluded: chain A residue 684 VAL Chi-restraints excluded: chain A residue 705 ASN Chi-restraints excluded: chain A residue 707 VAL Chi-restraints excluded: chain A residue 709 ASP Chi-restraints excluded: chain A residue 710 ASP Chi-restraints excluded: chain A residue 723 THR Chi-restraints excluded: chain A residue 730 VAL Chi-restraints excluded: chain A residue 751 SER Chi-restraints excluded: chain A residue 752 VAL Chi-restraints excluded: chain A residue 755 ILE Chi-restraints excluded: chain A residue 756 SER Chi-restraints excluded: chain A residue 760 ASN Chi-restraints excluded: chain A residue 773 LEU Chi-restraints excluded: chain A residue 778 PHE Chi-restraints excluded: chain A residue 781 VAL Chi-restraints excluded: chain A residue 800 PHE Chi-restraints excluded: chain A residue 822 ARG Chi-restraints excluded: chain A residue 826 ILE Chi-restraints excluded: chain A residue 840 VAL Chi-restraints excluded: chain A residue 844 ARG Chi-restraints excluded: chain A residue 961 MET Chi-restraints excluded: chain A residue 970 LEU Chi-restraints excluded: chain A residue 974 HIS Chi-restraints excluded: chain A residue 1043 VAL Chi-restraints excluded: chain A residue 1072 VAL Chi-restraints excluded: chain A residue 1074 ILE Chi-restraints excluded: chain A residue 1093 GLU Chi-restraints excluded: chain A residue 1095 VAL Chi-restraints excluded: chain A residue 1109 LEU Chi-restraints excluded: chain A residue 1113 VAL Chi-restraints excluded: chain A residue 1114 GLU Chi-restraints excluded: chain A residue 1123 VAL Chi-restraints excluded: chain A residue 1131 ARG Chi-restraints excluded: chain A residue 1137 GLU Chi-restraints excluded: chain A residue 1139 PHE Chi-restraints excluded: chain A residue 1141 ARG Chi-restraints excluded: chain A residue 1143 TRP Chi-restraints excluded: chain A residue 1145 SER Chi-restraints excluded: chain A residue 1147 ASP Chi-restraints excluded: chain A residue 1151 CYS Chi-restraints excluded: chain A residue 1155 LEU Chi-restraints excluded: chain A residue 1158 ASN Chi-restraints excluded: chain A residue 1162 PHE Chi-restraints excluded: chain A residue 1163 THR Chi-restraints excluded: chain A residue 1168 VAL Chi-restraints excluded: chain A residue 1171 SER Chi-restraints excluded: chain A residue 1173 SER Chi-restraints excluded: chain A residue 1190 PRO Chi-restraints excluded: chain A residue 1192 CYS Chi-restraints excluded: chain A residue 1202 LEU Chi-restraints excluded: chain A residue 1204 LEU Chi-restraints excluded: chain A residue 1208 VAL Chi-restraints excluded: chain A residue 1219 LEU Chi-restraints excluded: chain A residue 1229 ASN Chi-restraints excluded: chain A residue 1234 VAL Chi-restraints excluded: chain A residue 1248 VAL Chi-restraints excluded: chain A residue 1254 HIS Chi-restraints excluded: chain A residue 1269 CYS Chi-restraints excluded: chain A residue 1271 ARG Chi-restraints excluded: chain A residue 1282 SER Chi-restraints excluded: chain A residue 1287 LEU Chi-restraints excluded: chain A residue 1432 THR Chi-restraints excluded: chain A residue 1444 GLU Chi-restraints excluded: chain A residue 1457 TYR Chi-restraints excluded: chain A residue 1462 MET Chi-restraints excluded: chain A residue 1467 SER Chi-restraints excluded: chain A residue 1469 VAL Chi-restraints excluded: chain A residue 1483 VAL Chi-restraints excluded: chain A residue 1486 SER Chi-restraints excluded: chain A residue 1580 PHE 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 1603 VAL Chi-restraints excluded: chain A residue 1632 ASP Chi-restraints excluded: chain A residue 1634 LEU 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 1687 SER Chi-restraints excluded: chain A residue 1699 GLU Chi-restraints excluded: chain A residue 1700 ASP Chi-restraints excluded: chain A residue 1704 PRO Chi-restraints excluded: chain A residue 1706 PRO Chi-restraints excluded: chain A residue 1733 GLU Chi-restraints excluded: chain A residue 1736 VAL Chi-restraints excluded: chain A residue 1738 LEU Chi-restraints excluded: chain A residue 1760 HIS Chi-restraints excluded: chain A residue 1770 SER Chi-restraints excluded: chain A residue 1771 LEU Chi-restraints excluded: chain A residue 1772 ARG Chi-restraints excluded: chain A residue 1778 SER Chi-restraints excluded: chain A residue 1802 ILE Chi-restraints excluded: chain A residue 1812 LEU Chi-restraints excluded: chain A residue 1815 LEU Chi-restraints excluded: chain A residue 1834 VAL Chi-restraints excluded: chain A residue 1837 GLN Chi-restraints excluded: chain A residue 1849 LEU Chi-restraints excluded: chain A residue 1857 GLU Chi-restraints excluded: chain A residue 1869 GLU Chi-restraints excluded: chain A residue 1929 MET Chi-restraints excluded: chain A residue 1934 SER Chi-restraints excluded: chain A residue 1955 VAL Chi-restraints excluded: chain A residue 1957 SER Chi-restraints excluded: chain A residue 1961 PHE Chi-restraints excluded: chain A residue 1966 VAL Chi-restraints excluded: chain A residue 1969 LEU Chi-restraints excluded: chain A residue 1993 ARG Chi-restraints excluded: chain A residue 2011 HIS Chi-restraints excluded: chain A residue 2020 ASP Chi-restraints excluded: chain A residue 2030 ASP Chi-restraints excluded: chain A residue 2037 ASP Chi-restraints excluded: chain A residue 2039 LEU Chi-restraints excluded: chain A residue 2122 SER Chi-restraints excluded: chain A residue 2136 ARG Chi-restraints excluded: chain A residue 2143 THR Chi-restraints excluded: chain A residue 2148 SER Chi-restraints excluded: chain A residue 2156 LEU Chi-restraints excluded: chain A residue 2166 LEU Chi-restraints excluded: chain A residue 2167 ILE Chi-restraints excluded: chain A residue 2169 GLN Chi-restraints excluded: chain A residue 2170 MET Chi-restraints excluded: chain A residue 2175 GLU Chi-restraints excluded: chain A residue 2186 MET Chi-restraints excluded: chain A residue 2187 ASN Chi-restraints excluded: chain A residue 2225 PHE Chi-restraints excluded: chain A residue 2227 LYS Chi-restraints excluded: chain A residue 2228 MET Chi-restraints excluded: chain A residue 2229 VAL Chi-restraints excluded: chain A residue 2230 THR Chi-restraints excluded: chain A residue 2238 TYR Chi-restraints excluded: chain A residue 2241 ARG Chi-restraints excluded: chain A residue 2244 ARG Chi-restraints excluded: chain A residue 2249 SER Chi-restraints excluded: chain A residue 2252 ASP Chi-restraints excluded: chain A residue 2270 SER Chi-restraints excluded: chain A residue 2274 ASP Chi-restraints excluded: chain A residue 2275 VAL Chi-restraints excluded: chain A residue 2280 VAL Chi-restraints excluded: chain A residue 2281 ILE Chi-restraints excluded: chain A residue 2284 ASN Chi-restraints excluded: chain A residue 2290 LEU Chi-restraints excluded: chain A residue 2294 ASP Chi-restraints excluded: chain A residue 2295 LEU Chi-restraints excluded: chain A residue 2296 GLU Chi-restraints excluded: chain A residue 2299 VAL Chi-restraints excluded: chain A residue 2312 MET Chi-restraints excluded: chain A residue 2324 ASN Chi-restraints excluded: chain A residue 2341 VAL Chi-restraints excluded: chain A residue 2346 VAL Chi-restraints excluded: chain A residue 2353 VAL Chi-restraints excluded: chain A residue 2368 LEU Chi-restraints excluded: chain A residue 2371 GLU Chi-restraints excluded: chain A residue 2416 VAL Chi-restraints excluded: chain A residue 2430 ILE Chi-restraints excluded: chain A residue 2442 LEU Chi-restraints excluded: chain A residue 2454 ARG Chi-restraints excluded: chain A residue 2459 SER Chi-restraints excluded: chain A residue 2460 LEU Chi-restraints excluded: chain A residue 2461 VAL Chi-restraints excluded: chain A residue 3644 LEU Chi-restraints excluded: chain A residue 3652 MET Chi-restraints excluded: chain A residue 3656 SER Chi-restraints excluded: chain A residue 3661 TRP Chi-restraints excluded: chain A residue 3662 ILE Chi-restraints excluded: chain A residue 3663 LEU Chi-restraints excluded: chain A residue 3667 HIS Chi-restraints excluded: chain A residue 3669 PHE Chi-restraints excluded: chain A residue 3696 ASP Chi-restraints excluded: chain A residue 3707 ARG Chi-restraints excluded: chain A residue 3711 THR Chi-restraints excluded: chain A residue 3719 ASP Chi-restraints excluded: chain A residue 3732 SER Chi-restraints excluded: chain A residue 3764 LEU Chi-restraints excluded: chain A residue 3772 THR Chi-restraints excluded: chain A residue 3779 VAL Chi-restraints excluded: chain A residue 3787 LYS Chi-restraints excluded: chain A residue 3795 SER Chi-restraints excluded: chain A residue 3837 GLN Chi-restraints excluded: chain A residue 3869 GLN Chi-restraints excluded: chain A residue 3873 LYS Chi-restraints excluded: chain A residue 3875 MET Chi-restraints excluded: chain A residue 3904 ARG Chi-restraints excluded: chain A residue 3907 THR Chi-restraints excluded: chain A residue 3916 ILE Chi-restraints excluded: chain A residue 3924 LEU Chi-restraints excluded: chain A residue 3929 SER Chi-restraints excluded: chain A residue 3930 ILE Chi-restraints excluded: chain A residue 3933 PHE Chi-restraints excluded: chain A residue 3945 GLU Chi-restraints excluded: chain A residue 3952 SER Chi-restraints excluded: chain A residue 3969 ILE Chi-restraints excluded: chain A residue 3995 VAL Chi-restraints excluded: chain A residue 4012 LEU Chi-restraints excluded: chain A residue 4018 ASP Chi-restraints excluded: chain A residue 4019 LEU 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 4051 SER Chi-restraints excluded: chain A residue 4053 SER Chi-restraints excluded: chain A residue 4064 MET Chi-restraints excluded: chain A residue 4067 LYS Chi-restraints excluded: chain A residue 4072 VAL Chi-restraints excluded: chain A residue 4075 GLU Chi-restraints excluded: chain A residue 4102 GLN Chi-restraints excluded: chain A residue 4106 PRO Chi-restraints excluded: chain A residue 4107 GLU Chi-restraints excluded: chain A residue 4110 PHE Chi-restraints excluded: chain A residue 4120 ASN Chi-restraints excluded: chain A residue 4123 ILE Chi-restraints excluded: chain A residue 4125 PHE Chi-restraints excluded: chain A residue 4127 GLU Chi-restraints excluded: chain A residue 4135 PRO Chi-restraints excluded: chain A residue 4139 ILE Chi-restraints excluded: chain A residue 4145 VAL Chi-restraints excluded: chain A residue 4154 VAL Chi-restraints excluded: chain A residue 4170 ILE Chi-restraints excluded: chain A residue 4176 PRO Chi-restraints excluded: chain A residue 4178 LEU Chi-restraints excluded: chain A residue 4200 THR Chi-restraints excluded: chain A residue 4202 ARG Chi-restraints excluded: chain A residue 4220 ASP Chi-restraints excluded: chain A residue 4221 VAL Chi-restraints excluded: chain A residue 4232 GLU Chi-restraints excluded: chain A residue 4242 ILE Chi-restraints excluded: chain A residue 4244 GLU Chi-restraints excluded: chain A residue 4251 ILE Chi-restraints excluded: chain A residue 4546 VAL Chi-restraints excluded: chain A residue 4558 ASN Chi-restraints excluded: chain A residue 4565 LEU Chi-restraints excluded: chain A residue 4582 VAL Chi-restraints excluded: chain A residue 4634 GLU Chi-restraints excluded: chain A residue 4667 PRO Chi-restraints excluded: chain A residue 4669 VAL Chi-restraints excluded: chain A residue 4689 THR Chi-restraints excluded: chain A residue 4694 ASP Chi-restraints excluded: chain A residue 4707 ASN Chi-restraints excluded: chain A residue 4710 SER Chi-restraints excluded: chain A residue 4737 ILE Chi-restraints excluded: chain A residue 4741 LEU Chi-restraints excluded: chain A residue 4745 LEU Chi-restraints excluded: chain A residue 4764 LEU Chi-restraints excluded: chain A residue 4766 THR Chi-restraints excluded: chain A residue 4771 ILE Chi-restraints excluded: chain A residue 4796 MET Chi-restraints excluded: chain A residue 4816 ILE Chi-restraints excluded: chain A residue 4825 THR Chi-restraints excluded: chain A residue 4836 GLN Chi-restraints excluded: chain A residue 4838 VAL Chi-restraints excluded: chain A residue 4850 LEU Chi-restraints excluded: chain A residue 4876 CYS Chi-restraints excluded: chain A residue 4880 MET Chi-restraints excluded: chain A residue 4881 THR Chi-restraints excluded: chain A residue 4901 ILE Chi-restraints excluded: chain A residue 4918 ILE Chi-restraints excluded: chain A residue 4919 THR Chi-restraints excluded: chain A residue 4948 GLU Chi-restraints excluded: chain A residue 4952 GLU Chi-restraints excluded: chain A residue 4954 MET Chi-restraints excluded: chain A residue 4956 THR Chi-restraints excluded: chain A residue 4961 CYS Chi-restraints excluded: chain A residue 4966 ASP Chi-restraints excluded: chain A residue 4980 LEU Chi-restraints excluded: chain A residue 4989 MET Chi-restraints excluded: chain A residue 4992 LEU Chi-restraints excluded: chain A residue 5002 GLU Chi-restraints excluded: chain A residue 5023 PRO Chi-restraints excluded: chain B residue 13 PHE Chi-restraints excluded: chain B residue 18 ASP Chi-restraints excluded: chain B residue 23 GLN Chi-restraints excluded: chain B residue 33 LEU Chi-restraints excluded: chain B residue 35 LEU Chi-restraints excluded: chain B residue 47 CYS Chi-restraints excluded: chain B residue 54 ASN Chi-restraints excluded: chain B residue 66 CYS Chi-restraints excluded: chain B residue 75 VAL Chi-restraints excluded: chain B residue 78 LEU Chi-restraints excluded: chain B residue 81 MET Chi-restraints excluded: chain B residue 82 LEU Chi-restraints excluded: chain B residue 99 ARG Chi-restraints excluded: chain B residue 109 LEU Chi-restraints excluded: chain B residue 115 ARG Chi-restraints excluded: chain B residue 119 SER Chi-restraints excluded: chain B residue 125 ARG Chi-restraints excluded: chain B residue 128 THR Chi-restraints excluded: chain B residue 134 ASP Chi-restraints excluded: chain B residue 135 VAL Chi-restraints excluded: chain B residue 146 CYS Chi-restraints excluded: chain B residue 149 THR Chi-restraints excluded: chain B residue 156 GLN Chi-restraints excluded: chain B residue 157 ARG Chi-restraints excluded: chain B residue 169 LEU Chi-restraints excluded: chain B residue 184 THR Chi-restraints excluded: chain B residue 188 GLU Chi-restraints excluded: chain B residue 190 GLN Chi-restraints excluded: chain B residue 210 GLU Chi-restraints excluded: chain B residue 215 THR Chi-restraints excluded: chain B residue 220 LEU Chi-restraints excluded: chain B residue 232 THR Chi-restraints excluded: chain B residue 255 HIS Chi-restraints excluded: chain B residue 257 ARG Chi-restraints excluded: chain B residue 258 SER Chi-restraints excluded: chain B residue 259 LEU Chi-restraints excluded: chain B residue 264 PRO Chi-restraints excluded: chain B residue 266 ARG Chi-restraints excluded: chain B residue 272 SER Chi-restraints excluded: chain B residue 281 ARG Chi-restraints excluded: chain B residue 290 TYR Chi-restraints excluded: chain B residue 291 LEU Chi-restraints excluded: chain B residue 301 VAL Chi-restraints excluded: chain B residue 305 CYS Chi-restraints excluded: chain B residue 308 HIS Chi-restraints excluded: chain B residue 309 THR Chi-restraints excluded: chain B residue 312 THR Chi-restraints excluded: chain B residue 317 ARG Chi-restraints excluded: chain B residue 318 VAL Chi-restraints excluded: chain B residue 319 SER Chi-restraints excluded: chain B residue 320 LYS Chi-restraints excluded: chain B residue 322 LYS Chi-restraints excluded: chain B residue 339 ILE Chi-restraints excluded: chain B residue 348 VAL Chi-restraints excluded: chain B residue 353 SER Chi-restraints excluded: chain B residue 357 LEU Chi-restraints excluded: chain B residue 358 THR Chi-restraints excluded: chain B residue 374 LYS Chi-restraints excluded: chain B residue 384 MET Chi-restraints excluded: chain B residue 388 LEU Chi-restraints excluded: chain B residue 389 PHE Chi-restraints excluded: chain B residue 397 GLU Chi-restraints excluded: chain B residue 404 ILE Chi-restraints excluded: chain B residue 405 HIS Chi-restraints excluded: chain B residue 441 VAL Chi-restraints excluded: chain B residue 442 ILE Chi-restraints excluded: chain B residue 447 ASP Chi-restraints excluded: chain B residue 448 LEU Chi-restraints excluded: chain B residue 456 SER Chi-restraints excluded: chain B residue 470 SER Chi-restraints excluded: chain B residue 487 VAL Chi-restraints excluded: chain B residue 494 LEU Chi-restraints excluded: chain B residue 505 GLU Chi-restraints excluded: chain B residue 510 GLU Chi-restraints excluded: chain B residue 529 LEU Chi-restraints excluded: chain B residue 530 ILE Chi-restraints excluded: chain B residue 540 PHE Chi-restraints excluded: chain B residue 545 ASP Chi-restraints excluded: chain B residue 549 SER Chi-restraints excluded: chain B residue 551 LEU Chi-restraints excluded: chain B residue 552 ASP Chi-restraints excluded: chain B residue 560 ILE Chi-restraints excluded: chain B residue 569 ILE Chi-restraints excluded: chain B residue 575 LEU Chi-restraints excluded: chain B residue 577 ILE Chi-restraints excluded: chain B residue 578 ILE Chi-restraints excluded: chain B residue 580 GLU Chi-restraints excluded: chain B residue 593 HIS Chi-restraints excluded: chain B residue 605 SER Chi-restraints excluded: chain B residue 612 VAL Chi-restraints excluded: chain B residue 621 ILE Chi-restraints excluded: chain B residue 625 LEU Chi-restraints excluded: chain B residue 629 ARG Chi-restraints excluded: chain B residue 637 LEU Chi-restraints excluded: chain B residue 659 TYR Chi-restraints excluded: chain B residue 663 TYR Chi-restraints excluded: chain B residue 667 MET Chi-restraints excluded: chain B residue 672 VAL Chi-restraints excluded: chain B residue 675 LEU Chi-restraints excluded: chain B residue 682 LEU Chi-restraints excluded: chain B residue 684 VAL Chi-restraints excluded: chain B residue 705 ASN Chi-restraints excluded: chain B residue 707 VAL Chi-restraints excluded: chain B residue 710 ASP Chi-restraints excluded: chain B residue 723 THR Chi-restraints excluded: chain B residue 725 HIS Chi-restraints excluded: chain B residue 730 VAL Chi-restraints excluded: chain B residue 751 SER Chi-restraints excluded: chain B residue 752 VAL Chi-restraints excluded: chain B residue 755 ILE Chi-restraints excluded: chain B residue 756 SER Chi-restraints excluded: chain B residue 760 ASN Chi-restraints excluded: chain B residue 768 PHE Chi-restraints excluded: chain B residue 773 LEU Chi-restraints excluded: chain B residue 800 PHE Chi-restraints excluded: chain B residue 822 ARG Chi-restraints excluded: chain B residue 826 ILE Chi-restraints excluded: chain B residue 840 VAL Chi-restraints excluded: chain B residue 844 ARG Chi-restraints excluded: chain B residue 970 LEU Chi-restraints excluded: chain B residue 974 HIS Chi-restraints excluded: chain B residue 977 LEU Chi-restraints excluded: chain B residue 993 HIS Chi-restraints excluded: chain B residue 1043 VAL Chi-restraints excluded: chain B residue 1074 ILE Chi-restraints excluded: chain B residue 1093 GLU Chi-restraints excluded: chain B residue 1095 VAL Chi-restraints excluded: chain B residue 1109 LEU Chi-restraints excluded: chain B residue 1113 VAL Chi-restraints excluded: chain B residue 1114 GLU Chi-restraints excluded: chain B residue 1131 ARG Chi-restraints excluded: chain B residue 1137 GLU Chi-restraints excluded: chain B residue 1139 PHE Chi-restraints excluded: chain B residue 1141 ARG Chi-restraints excluded: chain B residue 1143 TRP Chi-restraints excluded: chain B residue 1145 SER Chi-restraints excluded: chain B residue 1147 ASP Chi-restraints excluded: chain B residue 1154 ASP Chi-restraints excluded: chain B residue 1155 LEU Chi-restraints excluded: chain B residue 1158 ASN Chi-restraints excluded: chain B residue 1162 PHE Chi-restraints excluded: chain B residue 1163 THR Chi-restraints excluded: chain B residue 1168 VAL Chi-restraints excluded: chain B residue 1169 LEU Chi-restraints excluded: chain B residue 1171 SER Chi-restraints excluded: chain B residue 1173 SER Chi-restraints excluded: chain B residue 1190 PRO Chi-restraints excluded: chain B residue 1192 CYS Chi-restraints excluded: chain B residue 1202 LEU Chi-restraints excluded: chain B residue 1204 LEU Chi-restraints excluded: chain B residue 1208 VAL Chi-restraints excluded: chain B residue 1219 LEU Chi-restraints excluded: chain B residue 1229 ASN Chi-restraints excluded: chain B residue 1234 VAL Chi-restraints excluded: chain B residue 1238 PHE Chi-restraints excluded: chain B residue 1248 VAL Chi-restraints excluded: chain B residue 1254 HIS Chi-restraints excluded: chain B residue 1256 GLU Chi-restraints excluded: chain B residue 1269 CYS Chi-restraints excluded: chain B residue 1271 ARG Chi-restraints excluded: chain B residue 1282 SER Chi-restraints excluded: chain B residue 1287 LEU Chi-restraints excluded: chain B residue 1431 THR Chi-restraints excluded: chain B residue 1432 THR Chi-restraints excluded: chain B residue 1457 TYR Chi-restraints excluded: chain B residue 1462 MET Chi-restraints excluded: chain B residue 1467 SER Chi-restraints excluded: chain B residue 1469 VAL Chi-restraints excluded: chain B residue 1472 VAL Chi-restraints excluded: chain B residue 1486 SER Chi-restraints excluded: chain B residue 1489 CYS Chi-restraints excluded: chain B residue 1580 PHE Chi-restraints excluded: chain B residue 1583 GLU Chi-restraints excluded: chain B residue 1585 LYS Chi-restraints excluded: chain B residue 1597 VAL Chi-restraints excluded: chain B residue 1600 LEU Chi-restraints excluded: chain B residue 1603 VAL Chi-restraints excluded: chain B residue 1628 VAL Chi-restraints excluded: chain B residue 1632 ASP 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 1685 LEU Chi-restraints excluded: chain B residue 1687 SER Chi-restraints excluded: chain B residue 1689 VAL Chi-restraints excluded: chain B residue 1699 GLU Chi-restraints excluded: chain B residue 1700 ASP Chi-restraints excluded: chain B residue 1704 PRO Chi-restraints excluded: chain B residue 1706 PRO Chi-restraints excluded: chain B residue 1733 GLU Chi-restraints excluded: chain B residue 1736 VAL Chi-restraints excluded: chain B residue 1738 LEU Chi-restraints excluded: chain B residue 1739 THR Chi-restraints excluded: chain B residue 1759 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 1802 ILE Chi-restraints excluded: chain B residue 1815 LEU Chi-restraints excluded: chain B residue 1834 VAL Chi-restraints excluded: chain B residue 1837 GLN Chi-restraints excluded: chain B residue 1849 LEU Chi-restraints excluded: chain B residue 1857 GLU Chi-restraints excluded: chain B residue 1863 LEU Chi-restraints excluded: chain B residue 1869 GLU Chi-restraints excluded: chain B residue 1870 VAL Chi-restraints excluded: chain B residue 1929 MET Chi-restraints excluded: chain B residue 1934 SER Chi-restraints excluded: chain B residue 1955 VAL Chi-restraints excluded: chain B residue 1957 SER Chi-restraints excluded: chain B residue 1961 PHE Chi-restraints excluded: chain B residue 1966 VAL Chi-restraints excluded: chain B residue 1969 LEU Chi-restraints excluded: chain B residue 1993 ARG Chi-restraints excluded: chain B residue 1996 ARG Chi-restraints excluded: chain B residue 2011 HIS Chi-restraints excluded: chain B residue 2020 ASP Chi-restraints excluded: chain B residue 2030 ASP Chi-restraints excluded: chain B residue 2032 GLN Chi-restraints excluded: chain B residue 2037 ASP Chi-restraints excluded: chain B residue 2039 LEU Chi-restraints excluded: chain B residue 2090 LYS Chi-restraints excluded: chain B residue 2093 SER Chi-restraints excluded: chain B residue 2097 LEU Chi-restraints excluded: chain B residue 2100 HIS Chi-restraints excluded: chain B residue 2122 SER Chi-restraints excluded: chain B residue 2136 ARG Chi-restraints excluded: chain B residue 2143 THR Chi-restraints excluded: chain B residue 2148 SER Chi-restraints excluded: chain B residue 2156 LEU Chi-restraints excluded: chain B residue 2166 LEU Chi-restraints excluded: chain B residue 2167 ILE Chi-restraints excluded: chain B residue 2169 GLN Chi-restraints excluded: chain B residue 2170 MET Chi-restraints excluded: chain B residue 2175 GLU Chi-restraints excluded: chain B residue 2186 MET Chi-restraints excluded: chain B residue 2187 ASN Chi-restraints excluded: chain B residue 2225 PHE Chi-restraints excluded: chain B residue 2227 LYS Chi-restraints excluded: chain B residue 2228 MET Chi-restraints excluded: chain B residue 2229 VAL Chi-restraints excluded: chain B residue 2230 THR Chi-restraints excluded: chain B residue 2238 TYR Chi-restraints excluded: chain B residue 2241 ARG Chi-restraints excluded: chain B residue 2244 ARG Chi-restraints excluded: chain B residue 2270 SER Chi-restraints excluded: chain B residue 2274 ASP Chi-restraints excluded: chain B residue 2275 VAL Chi-restraints excluded: chain B residue 2280 VAL Chi-restraints excluded: chain B residue 2281 ILE Chi-restraints excluded: chain B residue 2290 LEU Chi-restraints excluded: chain B residue 2294 ASP Chi-restraints excluded: chain B residue 2295 LEU Chi-restraints excluded: chain B residue 2299 VAL Chi-restraints excluded: chain B residue 2324 ASN Chi-restraints excluded: chain B residue 2341 VAL Chi-restraints excluded: chain B residue 2353 VAL Chi-restraints excluded: chain B residue 2368 LEU Chi-restraints excluded: chain B residue 2377 LEU Chi-restraints excluded: chain B residue 2416 VAL Chi-restraints excluded: chain B residue 2430 ILE Chi-restraints excluded: chain B residue 2442 LEU Chi-restraints excluded: chain B residue 2454 ARG Chi-restraints excluded: chain B residue 2460 LEU Chi-restraints excluded: chain B residue 2461 VAL Chi-restraints excluded: chain B residue 2474 LEU Chi-restraints excluded: chain B residue 3646 THR Chi-restraints excluded: chain B residue 3652 MET Chi-restraints excluded: chain B residue 3656 SER Chi-restraints excluded: chain B residue 3663 LEU Chi-restraints excluded: chain B residue 3667 HIS Chi-restraints excluded: chain B residue 3696 ASP Chi-restraints excluded: chain B residue 3707 ARG Chi-restraints excluded: chain B residue 3711 THR Chi-restraints excluded: chain B residue 3719 ASP Chi-restraints excluded: chain B residue 3732 SER Chi-restraints excluded: chain B residue 3764 LEU Chi-restraints excluded: chain B residue 3772 THR Chi-restraints excluded: chain B residue 3779 VAL Chi-restraints excluded: chain B residue 3787 LYS Chi-restraints excluded: chain B residue 3795 SER Chi-restraints excluded: chain B residue 3837 GLN Chi-restraints excluded: chain B residue 3869 GLN Chi-restraints excluded: chain B residue 3904 ARG Chi-restraints excluded: chain B residue 3907 THR Chi-restraints excluded: chain B residue 3916 ILE Chi-restraints excluded: chain B residue 3924 LEU Chi-restraints excluded: chain B residue 3929 SER Chi-restraints excluded: chain B residue 3930 ILE Chi-restraints excluded: chain B residue 3933 PHE Chi-restraints excluded: chain B residue 3945 GLU Chi-restraints excluded: chain B residue 3952 SER Chi-restraints excluded: chain B residue 3969 ILE Chi-restraints excluded: chain B residue 3995 VAL Chi-restraints excluded: chain B residue 4012 LEU Chi-restraints excluded: chain B residue 4014 LYS Chi-restraints excluded: chain B residue 4018 ASP 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 4051 SER Chi-restraints excluded: chain B residue 4053 SER Chi-restraints excluded: chain B residue 4064 MET Chi-restraints excluded: chain B residue 4067 LYS Chi-restraints excluded: chain B residue 4072 VAL Chi-restraints excluded: chain B residue 4082 THR Chi-restraints excluded: chain B residue 4087 LEU Chi-restraints excluded: chain B residue 4089 SER Chi-restraints excluded: chain B residue 4098 ASP Chi-restraints excluded: chain B residue 4107 GLU Chi-restraints excluded: chain B residue 4110 PHE Chi-restraints excluded: chain B residue 4111 LEU Chi-restraints excluded: chain B residue 4120 ASN Chi-restraints excluded: chain B residue 4123 ILE Chi-restraints excluded: chain B residue 4125 PHE Chi-restraints excluded: chain B residue 4127 GLU Chi-restraints excluded: chain B residue 4135 PRO Chi-restraints excluded: chain B residue 4139 ILE Chi-restraints excluded: chain B residue 4145 VAL Chi-restraints excluded: chain B residue 4154 VAL Chi-restraints excluded: chain B residue 4170 ILE Chi-restraints excluded: chain B residue 4178 LEU Chi-restraints excluded: chain B residue 4184 MET Chi-restraints excluded: chain B residue 4200 THR Chi-restraints excluded: chain B residue 4202 ARG Chi-restraints excluded: chain B residue 4220 ASP Chi-restraints excluded: chain B residue 4221 VAL Chi-restraints excluded: chain B residue 4232 GLU Chi-restraints excluded: chain B residue 4242 ILE Chi-restraints excluded: chain B residue 4244 GLU Chi-restraints excluded: chain B residue 4251 ILE Chi-restraints excluded: chain B residue 4546 VAL Chi-restraints excluded: chain B residue 4558 ASN Chi-restraints excluded: chain B residue 4565 LEU Chi-restraints excluded: chain B residue 4582 VAL Chi-restraints excluded: chain B residue 4634 GLU Chi-restraints excluded: chain B residue 4636 THR Chi-restraints excluded: chain B residue 4667 PRO Chi-restraints excluded: chain B residue 4669 VAL Chi-restraints excluded: chain B residue 4689 THR Chi-restraints excluded: chain B residue 4696 ASP Chi-restraints excluded: chain B residue 4697 VAL Chi-restraints excluded: chain B residue 4707 ASN Chi-restraints excluded: chain B residue 4710 SER Chi-restraints excluded: chain B residue 4737 ILE Chi-restraints excluded: chain B residue 4741 LEU Chi-restraints excluded: chain B residue 4745 LEU Chi-restraints excluded: chain B residue 4764 LEU Chi-restraints excluded: chain B residue 4766 THR Chi-restraints excluded: chain B residue 4771 ILE Chi-restraints excluded: chain B residue 4796 MET Chi-restraints excluded: chain B residue 4816 ILE Chi-restraints excluded: chain B residue 4825 THR Chi-restraints excluded: chain B residue 4836 GLN Chi-restraints excluded: chain B residue 4838 VAL Chi-restraints excluded: chain B residue 4850 LEU Chi-restraints excluded: chain B residue 4876 CYS Chi-restraints excluded: chain B residue 4880 MET Chi-restraints excluded: chain B residue 4881 THR Chi-restraints excluded: chain B residue 4901 ILE Chi-restraints excluded: chain B residue 4918 ILE Chi-restraints excluded: chain B residue 4919 THR Chi-restraints excluded: chain B residue 4948 GLU Chi-restraints excluded: chain B residue 4952 GLU Chi-restraints excluded: chain B residue 4954 MET Chi-restraints excluded: chain B residue 4956 THR Chi-restraints excluded: chain B residue 4961 CYS Chi-restraints excluded: chain B residue 4966 ASP Chi-restraints excluded: chain B residue 4980 LEU Chi-restraints excluded: chain B residue 4992 LEU Chi-restraints excluded: chain B residue 5023 PRO Chi-restraints excluded: chain C residue 13 PHE Chi-restraints excluded: chain C residue 18 ASP Chi-restraints excluded: chain C residue 23 GLN Chi-restraints excluded: chain C residue 33 LEU Chi-restraints excluded: chain C residue 35 LEU Chi-restraints excluded: chain C residue 47 CYS Chi-restraints excluded: chain C residue 54 ASN Chi-restraints excluded: chain C residue 66 CYS Chi-restraints excluded: chain C residue 75 VAL Chi-restraints excluded: chain C residue 78 LEU Chi-restraints excluded: chain C residue 82 LEU Chi-restraints excluded: chain C residue 99 ARG Chi-restraints excluded: chain C residue 109 LEU Chi-restraints excluded: chain C residue 115 ARG Chi-restraints excluded: chain C residue 119 SER Chi-restraints excluded: chain C residue 125 ARG Chi-restraints excluded: chain C residue 128 THR Chi-restraints excluded: chain C residue 134 ASP Chi-restraints excluded: chain C residue 135 VAL Chi-restraints excluded: chain C residue 146 CYS Chi-restraints excluded: chain C residue 149 THR Chi-restraints excluded: chain C residue 156 GLN Chi-restraints excluded: chain C residue 157 ARG Chi-restraints excluded: chain C residue 169 LEU Chi-restraints excluded: chain C residue 184 THR Chi-restraints excluded: chain C residue 188 GLU Chi-restraints excluded: chain C residue 190 GLN Chi-restraints excluded: chain C residue 210 GLU Chi-restraints excluded: chain C residue 215 THR Chi-restraints excluded: chain C residue 220 LEU Chi-restraints excluded: chain C residue 232 THR Chi-restraints excluded: chain C residue 255 HIS Chi-restraints excluded: chain C residue 257 ARG Chi-restraints excluded: chain C residue 258 SER Chi-restraints excluded: chain C residue 264 PRO Chi-restraints excluded: chain C residue 265 LEU Chi-restraints excluded: chain C residue 266 ARG Chi-restraints excluded: chain C residue 272 SER Chi-restraints excluded: chain C residue 281 ARG Chi-restraints excluded: chain C residue 286 THR Chi-restraints excluded: chain C residue 290 TYR Chi-restraints excluded: chain C residue 291 LEU Chi-restraints excluded: chain C residue 301 VAL Chi-restraints excluded: chain C residue 305 CYS Chi-restraints excluded: chain C residue 309 THR Chi-restraints excluded: chain C residue 312 THR Chi-restraints excluded: chain C residue 317 ARG Chi-restraints excluded: chain C residue 319 SER Chi-restraints excluded: chain C residue 320 LYS Chi-restraints excluded: chain C residue 322 LYS Chi-restraints excluded: chain C residue 339 ILE Chi-restraints excluded: chain C residue 348 VAL Chi-restraints excluded: chain C residue 353 SER Chi-restraints excluded: chain C residue 358 THR Chi-restraints excluded: chain C residue 359 TYR Chi-restraints excluded: chain C residue 388 LEU Chi-restraints excluded: chain C residue 389 PHE Chi-restraints excluded: chain C residue 397 GLU Chi-restraints excluded: chain C residue 404 ILE Chi-restraints excluded: chain C residue 405 HIS Chi-restraints excluded: chain C residue 441 VAL Chi-restraints excluded: chain C residue 442 ILE Chi-restraints excluded: chain C residue 447 ASP Chi-restraints excluded: chain C residue 448 LEU Chi-restraints excluded: chain C residue 456 SER Chi-restraints excluded: chain C residue 477 LEU Chi-restraints excluded: chain C residue 481 GLU Chi-restraints excluded: chain C residue 484 LEU Chi-restraints excluded: chain C residue 487 VAL Chi-restraints excluded: chain C residue 494 LEU Chi-restraints excluded: chain C residue 505 GLU Chi-restraints excluded: chain C residue 529 LEU Chi-restraints excluded: chain C residue 530 ILE Chi-restraints excluded: chain C residue 540 PHE Chi-restraints excluded: chain C residue 549 SER Chi-restraints excluded: chain C residue 551 LEU Chi-restraints excluded: chain C residue 552 ASP Chi-restraints excluded: chain C residue 560 ILE Chi-restraints excluded: chain C residue 569 ILE Chi-restraints excluded: chain C residue 575 LEU Chi-restraints excluded: chain C residue 577 ILE Chi-restraints excluded: chain C residue 578 ILE Chi-restraints excluded: chain C residue 580 GLU Chi-restraints excluded: chain C residue 593 HIS Chi-restraints excluded: chain C residue 612 VAL Chi-restraints excluded: chain C residue 621 ILE Chi-restraints excluded: chain C residue 625 LEU Chi-restraints excluded: chain C residue 629 ARG Chi-restraints excluded: chain C residue 637 LEU Chi-restraints excluded: chain C residue 652 ARG Chi-restraints excluded: chain C residue 659 TYR Chi-restraints excluded: chain C residue 663 TYR Chi-restraints excluded: chain C residue 667 MET Chi-restraints excluded: chain C residue 672 VAL Chi-restraints excluded: chain C residue 675 LEU Chi-restraints excluded: chain C residue 682 LEU Chi-restraints excluded: chain C residue 684 VAL Chi-restraints excluded: chain C residue 705 ASN Chi-restraints excluded: chain C residue 707 VAL Chi-restraints excluded: chain C residue 709 ASP Chi-restraints excluded: chain C residue 710 ASP Chi-restraints excluded: chain C residue 723 THR Chi-restraints excluded: chain C residue 730 VAL Chi-restraints excluded: chain C residue 751 SER Chi-restraints excluded: chain C residue 752 VAL Chi-restraints excluded: chain C residue 755 ILE Chi-restraints excluded: chain C residue 756 SER Chi-restraints excluded: chain C residue 760 ASN Chi-restraints excluded: chain C residue 773 LEU Chi-restraints excluded: chain C residue 778 PHE Chi-restraints excluded: chain C residue 781 VAL Chi-restraints excluded: chain C residue 800 PHE Chi-restraints excluded: chain C residue 822 ARG Chi-restraints excluded: chain C residue 826 ILE Chi-restraints excluded: chain C residue 840 VAL Chi-restraints excluded: chain C residue 844 ARG Chi-restraints excluded: chain C residue 866 HIS Chi-restraints excluded: chain C residue 925 SER Chi-restraints excluded: chain C residue 933 LEU Chi-restraints excluded: chain C residue 961 MET Chi-restraints excluded: chain C residue 970 LEU Chi-restraints excluded: chain C residue 974 HIS Chi-restraints excluded: chain C residue 977 LEU Chi-restraints excluded: chain C residue 1043 VAL Chi-restraints excluded: chain C residue 1074 ILE Chi-restraints excluded: chain C residue 1093 GLU Chi-restraints excluded: chain C residue 1095 VAL Chi-restraints excluded: chain C residue 1109 LEU Chi-restraints excluded: chain C residue 1113 VAL Chi-restraints excluded: chain C residue 1114 GLU Chi-restraints excluded: chain C residue 1123 VAL Chi-restraints excluded: chain C residue 1131 ARG Chi-restraints excluded: chain C residue 1137 GLU Chi-restraints excluded: chain C residue 1143 TRP Chi-restraints excluded: chain C residue 1145 SER Chi-restraints excluded: chain C residue 1147 ASP Chi-restraints excluded: chain C residue 1155 LEU Chi-restraints excluded: chain C residue 1158 ASN Chi-restraints excluded: chain C residue 1163 THR Chi-restraints excluded: chain C residue 1168 VAL Chi-restraints excluded: chain C residue 1171 SER Chi-restraints excluded: chain C residue 1173 SER Chi-restraints excluded: chain C residue 1182 ILE Chi-restraints excluded: chain C residue 1190 PRO Chi-restraints excluded: chain C residue 1192 CYS Chi-restraints excluded: chain C residue 1202 LEU Chi-restraints excluded: chain C residue 1204 LEU Chi-restraints excluded: chain C residue 1208 VAL Chi-restraints excluded: chain C residue 1219 LEU Chi-restraints excluded: chain C residue 1221 GLU Chi-restraints excluded: chain C residue 1229 ASN Chi-restraints excluded: chain C residue 1234 VAL Chi-restraints excluded: chain C residue 1238 PHE Chi-restraints excluded: chain C residue 1248 VAL Chi-restraints excluded: chain C residue 1254 HIS Chi-restraints excluded: chain C residue 1269 CYS Chi-restraints excluded: chain C residue 1271 ARG Chi-restraints excluded: chain C residue 1282 SER Chi-restraints excluded: chain C residue 1287 LEU Chi-restraints excluded: chain C residue 1289 LEU Chi-restraints excluded: chain C residue 1431 THR Chi-restraints excluded: chain C residue 1432 THR Chi-restraints excluded: chain C residue 1444 GLU Chi-restraints excluded: chain C residue 1462 MET Chi-restraints excluded: chain C residue 1467 SER Chi-restraints excluded: chain C residue 1469 VAL Chi-restraints excluded: chain C residue 1472 VAL Chi-restraints excluded: chain C residue 1486 SER Chi-restraints excluded: chain C residue 1580 PHE 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 1603 VAL Chi-restraints excluded: chain C residue 1632 ASP 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 1687 SER Chi-restraints excluded: chain C residue 1689 VAL Chi-restraints excluded: chain C residue 1699 GLU Chi-restraints excluded: chain C residue 1700 ASP Chi-restraints excluded: chain C residue 1704 PRO Chi-restraints excluded: chain C residue 1706 PRO Chi-restraints excluded: chain C residue 1733 GLU Chi-restraints excluded: chain C residue 1736 VAL Chi-restraints excluded: chain C residue 1738 LEU Chi-restraints excluded: chain C residue 1739 THR Chi-restraints excluded: chain C residue 1760 HIS 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 1802 ILE Chi-restraints excluded: chain C residue 1812 LEU Chi-restraints excluded: chain C residue 1815 LEU Chi-restraints excluded: chain C residue 1834 VAL Chi-restraints excluded: chain C residue 1837 GLN Chi-restraints excluded: chain C residue 1849 LEU Chi-restraints excluded: chain C residue 1869 GLU Chi-restraints excluded: chain C residue 1929 MET Chi-restraints excluded: chain C residue 1934 SER Chi-restraints excluded: chain C residue 1955 VAL Chi-restraints excluded: chain C residue 1957 SER Chi-restraints excluded: chain C residue 1961 PHE Chi-restraints excluded: chain C residue 1966 VAL Chi-restraints excluded: chain C residue 1969 LEU Chi-restraints excluded: chain C residue 1993 ARG Chi-restraints excluded: chain C residue 1995 THR Chi-restraints excluded: chain C residue 2011 HIS Chi-restraints excluded: chain C residue 2020 ASP Chi-restraints excluded: chain C residue 2030 ASP Chi-restraints excluded: chain C residue 2032 GLN Chi-restraints excluded: chain C residue 2037 ASP Chi-restraints excluded: chain C residue 2039 LEU Chi-restraints excluded: chain C residue 2122 SER Chi-restraints excluded: chain C residue 2136 ARG Chi-restraints excluded: chain C residue 2143 THR Chi-restraints excluded: chain C residue 2148 SER Chi-restraints excluded: chain C residue 2156 LEU Chi-restraints excluded: chain C residue 2166 LEU Chi-restraints excluded: chain C residue 2167 ILE Chi-restraints excluded: chain C residue 2169 GLN Chi-restraints excluded: chain C residue 2170 MET Chi-restraints excluded: chain C residue 2175 GLU Chi-restraints excluded: chain C residue 2186 MET Chi-restraints excluded: chain C residue 2187 ASN Chi-restraints excluded: chain C residue 2227 LYS Chi-restraints excluded: chain C residue 2228 MET Chi-restraints excluded: chain C residue 2229 VAL Chi-restraints excluded: chain C residue 2238 TYR Chi-restraints excluded: chain C residue 2241 ARG Chi-restraints excluded: chain C residue 2244 ARG Chi-restraints excluded: chain C residue 2270 SER Chi-restraints excluded: chain C residue 2274 ASP Chi-restraints excluded: chain C residue 2275 VAL Chi-restraints excluded: chain C residue 2280 VAL Chi-restraints excluded: chain C residue 2281 ILE Chi-restraints excluded: chain C residue 2290 LEU Chi-restraints excluded: chain C residue 2294 ASP Chi-restraints excluded: chain C residue 2295 LEU Chi-restraints excluded: chain C residue 2296 GLU Chi-restraints excluded: chain C residue 2299 VAL Chi-restraints excluded: chain C residue 2324 ASN Chi-restraints excluded: chain C residue 2341 VAL Chi-restraints excluded: chain C residue 2353 VAL Chi-restraints excluded: chain C residue 2368 LEU Chi-restraints excluded: chain C residue 2371 GLU Chi-restraints excluded: chain C residue 2416 VAL Chi-restraints excluded: chain C residue 2423 MET Chi-restraints excluded: chain C residue 2430 ILE Chi-restraints excluded: chain C residue 2442 LEU Chi-restraints excluded: chain C residue 2454 ARG Chi-restraints excluded: chain C residue 2460 LEU Chi-restraints excluded: chain C residue 2461 VAL Chi-restraints excluded: chain C residue 2474 LEU Chi-restraints excluded: chain C residue 3652 MET Chi-restraints excluded: chain C residue 3656 SER Chi-restraints excluded: chain C residue 3661 TRP Chi-restraints excluded: chain C residue 3662 ILE Chi-restraints excluded: chain C residue 3669 PHE Chi-restraints excluded: chain C residue 3696 ASP Chi-restraints excluded: chain C residue 3707 ARG Chi-restraints excluded: chain C residue 3711 THR Chi-restraints excluded: chain C residue 3719 ASP Chi-restraints excluded: chain C residue 3732 SER Chi-restraints excluded: chain C residue 3764 LEU Chi-restraints excluded: chain C residue 3772 THR Chi-restraints excluded: chain C residue 3779 VAL Chi-restraints excluded: chain C residue 3787 LYS Chi-restraints excluded: chain C residue 3795 SER Chi-restraints excluded: chain C residue 3837 GLN Chi-restraints excluded: chain C residue 3873 LYS Chi-restraints excluded: chain C residue 3904 ARG Chi-restraints excluded: chain C residue 3907 THR Chi-restraints excluded: chain C residue 3916 ILE Chi-restraints excluded: chain C residue 3924 LEU Chi-restraints excluded: chain C residue 3929 SER Chi-restraints excluded: chain C residue 3930 ILE Chi-restraints excluded: chain C residue 3933 PHE Chi-restraints excluded: chain C residue 3945 GLU Chi-restraints excluded: chain C residue 3952 SER Chi-restraints excluded: chain C residue 3969 ILE Chi-restraints excluded: chain C residue 3995 VAL Chi-restraints excluded: chain C residue 4012 LEU Chi-restraints excluded: chain C residue 4014 LYS Chi-restraints excluded: chain C residue 4018 ASP 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 4051 SER Chi-restraints excluded: chain C residue 4053 SER Chi-restraints excluded: chain C residue 4064 MET Chi-restraints excluded: chain C residue 4067 LYS Chi-restraints excluded: chain C residue 4072 VAL Chi-restraints excluded: chain C residue 4082 THR Chi-restraints excluded: chain C residue 4087 LEU Chi-restraints excluded: chain C residue 4089 SER Chi-restraints excluded: chain C residue 4098 ASP Chi-restraints excluded: chain C residue 4107 GLU Chi-restraints excluded: chain C residue 4110 PHE Chi-restraints excluded: chain C residue 4120 ASN Chi-restraints excluded: chain C residue 4123 ILE Chi-restraints excluded: chain C residue 4125 PHE Chi-restraints excluded: chain C residue 4127 GLU Chi-restraints excluded: chain C residue 4135 PRO Chi-restraints excluded: chain C residue 4139 ILE Chi-restraints excluded: chain C residue 4145 VAL Chi-restraints excluded: chain C residue 4154 VAL Chi-restraints excluded: chain C residue 4170 ILE Chi-restraints excluded: chain C residue 4176 PRO 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 4200 THR Chi-restraints excluded: chain C residue 4202 ARG Chi-restraints excluded: chain C residue 4220 ASP Chi-restraints excluded: chain C residue 4221 VAL Chi-restraints excluded: chain C residue 4232 GLU Chi-restraints excluded: chain C residue 4242 ILE Chi-restraints excluded: chain C residue 4244 GLU Chi-restraints excluded: chain C residue 4251 ILE Chi-restraints excluded: chain C residue 4546 VAL Chi-restraints excluded: chain C residue 4558 ASN Chi-restraints excluded: chain C residue 4565 LEU Chi-restraints excluded: chain C residue 4582 VAL Chi-restraints excluded: chain C residue 4634 GLU Chi-restraints excluded: chain C residue 4636 THR Chi-restraints excluded: chain C residue 4645 CYS Chi-restraints excluded: chain C residue 4667 PRO Chi-restraints excluded: chain C residue 4669 VAL Chi-restraints excluded: chain C residue 4689 THR Chi-restraints excluded: chain C residue 4694 ASP Chi-restraints excluded: chain C residue 4707 ASN Chi-restraints excluded: chain C residue 4710 SER Chi-restraints excluded: chain C residue 4737 ILE Chi-restraints excluded: chain C residue 4741 LEU Chi-restraints excluded: chain C residue 4743 MET Chi-restraints excluded: chain C residue 4745 LEU Chi-restraints excluded: chain C residue 4764 LEU Chi-restraints excluded: chain C residue 4766 THR Chi-restraints excluded: chain C residue 4771 ILE Chi-restraints excluded: chain C residue 4816 ILE Chi-restraints excluded: chain C residue 4836 GLN Chi-restraints excluded: chain C residue 4838 VAL Chi-restraints excluded: chain C residue 4850 LEU Chi-restraints excluded: chain C residue 4876 CYS Chi-restraints excluded: chain C residue 4880 MET Chi-restraints excluded: chain C residue 4881 THR Chi-restraints excluded: chain C residue 4901 ILE Chi-restraints excluded: chain C residue 4918 ILE Chi-restraints excluded: chain C residue 4919 THR Chi-restraints excluded: chain C residue 4942 GLU Chi-restraints excluded: chain C residue 4948 GLU Chi-restraints excluded: chain C residue 4952 GLU Chi-restraints excluded: chain C residue 4954 MET Chi-restraints excluded: chain C residue 4956 THR Chi-restraints excluded: chain C residue 4961 CYS Chi-restraints excluded: chain C residue 4965 SER Chi-restraints excluded: chain C residue 4966 ASP Chi-restraints excluded: chain C residue 4980 LEU Chi-restraints excluded: chain C residue 4985 LEU Chi-restraints excluded: chain C residue 4992 LEU Chi-restraints excluded: chain C residue 5002 GLU Chi-restraints excluded: chain D residue 13 PHE Chi-restraints excluded: chain D residue 18 ASP Chi-restraints excluded: chain D residue 23 GLN Chi-restraints excluded: chain D residue 33 LEU Chi-restraints excluded: chain D residue 35 LEU Chi-restraints excluded: chain D residue 47 CYS Chi-restraints excluded: chain D residue 54 ASN Chi-restraints excluded: chain D residue 66 CYS Chi-restraints excluded: chain D residue 75 VAL Chi-restraints excluded: chain D residue 78 LEU Chi-restraints excluded: chain D residue 82 LEU Chi-restraints excluded: chain D residue 99 ARG Chi-restraints excluded: chain D residue 109 LEU Chi-restraints excluded: chain D residue 115 ARG Chi-restraints excluded: chain D residue 119 SER Chi-restraints excluded: chain D residue 125 ARG Chi-restraints excluded: chain D residue 128 THR Chi-restraints excluded: chain D residue 134 ASP Chi-restraints excluded: chain D residue 135 VAL Chi-restraints excluded: chain D residue 146 CYS Chi-restraints excluded: chain D residue 149 THR Chi-restraints excluded: chain D residue 156 GLN Chi-restraints excluded: chain D residue 157 ARG Chi-restraints excluded: chain D residue 169 LEU Chi-restraints excluded: chain D residue 170 ILE Chi-restraints excluded: chain D residue 184 THR Chi-restraints excluded: chain D residue 188 GLU Chi-restraints excluded: chain D residue 190 GLN Chi-restraints excluded: chain D residue 194 SER Chi-restraints excluded: chain D residue 210 GLU Chi-restraints excluded: chain D residue 215 THR Chi-restraints excluded: chain D residue 220 LEU Chi-restraints excluded: chain D residue 232 THR Chi-restraints excluded: chain D residue 255 HIS Chi-restraints excluded: chain D residue 257 ARG Chi-restraints excluded: chain D residue 258 SER Chi-restraints excluded: chain D residue 264 PRO Chi-restraints excluded: chain D residue 266 ARG Chi-restraints excluded: chain D residue 272 SER Chi-restraints excluded: chain D residue 281 ARG Chi-restraints excluded: chain D residue 286 THR Chi-restraints excluded: chain D residue 290 TYR Chi-restraints excluded: chain D residue 291 LEU Chi-restraints excluded: chain D residue 301 VAL Chi-restraints excluded: chain D residue 305 CYS Chi-restraints excluded: chain D residue 309 THR Chi-restraints excluded: chain D residue 317 ARG Chi-restraints excluded: chain D residue 318 VAL Chi-restraints excluded: chain D residue 319 SER Chi-restraints excluded: chain D residue 320 LYS Chi-restraints excluded: chain D residue 339 ILE Chi-restraints excluded: chain D residue 348 VAL Chi-restraints excluded: chain D residue 353 SER Chi-restraints excluded: chain D residue 357 LEU Chi-restraints excluded: chain D residue 358 THR Chi-restraints excluded: chain D residue 374 LYS Chi-restraints excluded: chain D residue 388 LEU Chi-restraints excluded: chain D residue 389 PHE Chi-restraints excluded: chain D residue 397 GLU Chi-restraints excluded: chain D residue 404 ILE Chi-restraints excluded: chain D residue 405 HIS Chi-restraints excluded: chain D residue 441 VAL Chi-restraints excluded: chain D residue 442 ILE Chi-restraints excluded: chain D residue 447 ASP Chi-restraints excluded: chain D residue 448 LEU Chi-restraints excluded: chain D residue 456 SER Chi-restraints excluded: chain D residue 477 LEU Chi-restraints excluded: chain D residue 481 GLU Chi-restraints excluded: chain D residue 487 VAL Chi-restraints excluded: chain D residue 494 LEU Chi-restraints excluded: chain D residue 503 PHE Chi-restraints excluded: chain D residue 521 LEU Chi-restraints excluded: chain D residue 529 LEU Chi-restraints excluded: chain D residue 530 ILE Chi-restraints excluded: chain D residue 540 PHE Chi-restraints excluded: chain D residue 545 ASP Chi-restraints excluded: chain D residue 549 SER Chi-restraints excluded: chain D residue 551 LEU Chi-restraints excluded: chain D residue 552 ASP Chi-restraints excluded: chain D residue 560 ILE Chi-restraints excluded: chain D residue 569 ILE Chi-restraints excluded: chain D residue 575 LEU Chi-restraints excluded: chain D residue 577 ILE Chi-restraints excluded: chain D residue 578 ILE Chi-restraints excluded: chain D residue 580 GLU Chi-restraints excluded: chain D residue 593 HIS Chi-restraints excluded: chain D residue 605 SER Chi-restraints excluded: chain D residue 608 VAL Chi-restraints excluded: chain D residue 612 VAL Chi-restraints excluded: chain D residue 621 ILE Chi-restraints excluded: chain D residue 625 LEU Chi-restraints excluded: chain D residue 629 ARG Chi-restraints excluded: chain D residue 637 LEU Chi-restraints excluded: chain D residue 667 MET Chi-restraints excluded: chain D residue 672 VAL Chi-restraints excluded: chain D residue 675 LEU Chi-restraints excluded: chain D residue 682 LEU Chi-restraints excluded: chain D residue 684 VAL Chi-restraints excluded: chain D residue 705 ASN Chi-restraints excluded: chain D residue 707 VAL Chi-restraints excluded: chain D residue 710 ASP Chi-restraints excluded: chain D residue 723 THR Chi-restraints excluded: chain D residue 730 VAL Chi-restraints excluded: chain D residue 751 SER Chi-restraints excluded: chain D residue 752 VAL Chi-restraints excluded: chain D residue 755 ILE Chi-restraints excluded: chain D residue 756 SER Chi-restraints excluded: chain D residue 760 ASN Chi-restraints excluded: chain D residue 773 LEU Chi-restraints excluded: chain D residue 778 PHE Chi-restraints excluded: chain D residue 781 VAL Chi-restraints excluded: chain D residue 800 PHE Chi-restraints excluded: chain D residue 822 ARG Chi-restraints excluded: chain D residue 826 ILE Chi-restraints excluded: chain D residue 840 VAL Chi-restraints excluded: chain D residue 844 ARG Chi-restraints excluded: chain D residue 970 LEU Chi-restraints excluded: chain D residue 974 HIS Chi-restraints excluded: chain D residue 977 LEU Chi-restraints excluded: chain D residue 1043 VAL Chi-restraints excluded: chain D residue 1072 VAL Chi-restraints excluded: chain D residue 1074 ILE Chi-restraints excluded: chain D residue 1093 GLU Chi-restraints excluded: chain D residue 1095 VAL Chi-restraints excluded: chain D residue 1109 LEU Chi-restraints excluded: chain D residue 1113 VAL Chi-restraints excluded: chain D residue 1114 GLU Chi-restraints excluded: chain D residue 1131 ARG Chi-restraints excluded: chain D residue 1137 GLU Chi-restraints excluded: chain D residue 1139 PHE Chi-restraints excluded: chain D residue 1141 ARG Chi-restraints excluded: chain D residue 1143 TRP Chi-restraints excluded: chain D residue 1145 SER Chi-restraints excluded: chain D residue 1147 ASP Chi-restraints excluded: chain D residue 1152 MET Chi-restraints excluded: chain D residue 1153 ILE Chi-restraints excluded: chain D residue 1154 ASP Chi-restraints excluded: chain D residue 1155 LEU Chi-restraints excluded: chain D residue 1158 ASN Chi-restraints excluded: chain D residue 1163 THR Chi-restraints excluded: chain D residue 1168 VAL Chi-restraints excluded: chain D residue 1169 LEU Chi-restraints excluded: chain D residue 1173 SER Chi-restraints excluded: chain D residue 1182 ILE Chi-restraints excluded: chain D residue 1190 PRO Chi-restraints excluded: chain D residue 1192 CYS Chi-restraints excluded: chain D residue 1202 LEU Chi-restraints excluded: chain D residue 1204 LEU Chi-restraints excluded: chain D residue 1208 VAL Chi-restraints excluded: chain D residue 1219 LEU Chi-restraints excluded: chain D residue 1229 ASN Chi-restraints excluded: chain D residue 1234 VAL Chi-restraints excluded: chain D residue 1248 VAL Chi-restraints excluded: chain D residue 1254 HIS Chi-restraints excluded: chain D residue 1269 CYS Chi-restraints excluded: chain D residue 1271 ARG Chi-restraints excluded: chain D residue 1282 SER Chi-restraints excluded: chain D residue 1287 LEU Chi-restraints excluded: chain D residue 1431 THR Chi-restraints excluded: chain D residue 1432 THR Chi-restraints excluded: chain D residue 1462 MET Chi-restraints excluded: chain D residue 1467 SER Chi-restraints excluded: chain D residue 1469 VAL Chi-restraints excluded: chain D residue 1483 VAL Chi-restraints excluded: chain D residue 1486 SER Chi-restraints excluded: chain D residue 1580 PHE Chi-restraints excluded: chain D residue 1597 VAL Chi-restraints excluded: chain D residue 1600 LEU Chi-restraints excluded: chain D residue 1603 VAL Chi-restraints excluded: chain D residue 1634 LEU Chi-restraints excluded: chain D residue 1657 LEU 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 1687 SER Chi-restraints excluded: chain D residue 1689 VAL Chi-restraints excluded: chain D residue 1699 GLU Chi-restraints excluded: chain D residue 1700 ASP Chi-restraints excluded: chain D residue 1704 PRO Chi-restraints excluded: chain D residue 1706 PRO Chi-restraints excluded: chain D residue 1733 GLU Chi-restraints excluded: chain D residue 1736 VAL Chi-restraints excluded: chain D residue 1738 LEU Chi-restraints excluded: chain D residue 1760 HIS Chi-restraints excluded: chain D residue 1770 SER Chi-restraints excluded: chain D residue 1771 LEU Chi-restraints excluded: chain D residue 1772 ARG Chi-restraints excluded: chain D residue 1778 SER Chi-restraints excluded: chain D residue 1802 ILE Chi-restraints excluded: chain D residue 1812 LEU Chi-restraints excluded: chain D residue 1815 LEU Chi-restraints excluded: chain D residue 1834 VAL Chi-restraints excluded: chain D residue 1849 LEU Chi-restraints excluded: chain D residue 1857 GLU Chi-restraints excluded: chain D residue 1869 GLU Chi-restraints excluded: chain D residue 1929 MET Chi-restraints excluded: chain D residue 1934 SER Chi-restraints excluded: chain D residue 1955 VAL Chi-restraints excluded: chain D residue 1957 SER Chi-restraints excluded: chain D residue 1961 PHE Chi-restraints excluded: chain D residue 1966 VAL Chi-restraints excluded: chain D residue 1969 LEU Chi-restraints excluded: chain D residue 1993 ARG Chi-restraints excluded: chain D residue 1995 THR Chi-restraints excluded: chain D residue 2011 HIS Chi-restraints excluded: chain D residue 2020 ASP Chi-restraints excluded: chain D residue 2027 ILE Chi-restraints excluded: chain D residue 2030 ASP Chi-restraints excluded: chain D residue 2037 ASP Chi-restraints excluded: chain D residue 2039 LEU Chi-restraints excluded: chain D residue 2122 SER Chi-restraints excluded: chain D residue 2136 ARG Chi-restraints excluded: chain D residue 2143 THR Chi-restraints excluded: chain D residue 2148 SER Chi-restraints excluded: chain D residue 2156 LEU Chi-restraints excluded: chain D residue 2166 LEU Chi-restraints excluded: chain D residue 2167 ILE Chi-restraints excluded: chain D residue 2169 GLN Chi-restraints excluded: chain D residue 2170 MET Chi-restraints excluded: chain D residue 2175 GLU Chi-restraints excluded: chain D residue 2186 MET Chi-restraints excluded: chain D residue 2187 ASN Chi-restraints excluded: chain D residue 2227 LYS Chi-restraints excluded: chain D residue 2228 MET Chi-restraints excluded: chain D residue 2229 VAL Chi-restraints excluded: chain D residue 2230 THR Chi-restraints excluded: chain D residue 2238 TYR Chi-restraints excluded: chain D residue 2241 ARG Chi-restraints excluded: chain D residue 2244 ARG Chi-restraints excluded: chain D residue 2270 SER Chi-restraints excluded: chain D residue 2274 ASP Chi-restraints excluded: chain D residue 2275 VAL Chi-restraints excluded: chain D residue 2280 VAL Chi-restraints excluded: chain D residue 2281 ILE Chi-restraints excluded: chain D residue 2290 LEU Chi-restraints excluded: chain D residue 2294 ASP Chi-restraints excluded: chain D residue 2295 LEU Chi-restraints excluded: chain D residue 2296 GLU Chi-restraints excluded: chain D residue 2299 VAL Chi-restraints excluded: chain D residue 2324 ASN Chi-restraints excluded: chain D residue 2341 VAL Chi-restraints excluded: chain D residue 2353 VAL Chi-restraints excluded: chain D residue 2368 LEU Chi-restraints excluded: chain D residue 2371 GLU Chi-restraints excluded: chain D residue 2416 VAL Chi-restraints excluded: chain D residue 2423 MET Chi-restraints excluded: chain D residue 2430 ILE Chi-restraints excluded: chain D residue 2442 LEU Chi-restraints excluded: chain D residue 2454 ARG Chi-restraints excluded: chain D residue 2460 LEU Chi-restraints excluded: chain D residue 2461 VAL Chi-restraints excluded: chain D residue 2474 LEU Chi-restraints excluded: chain D residue 3644 LEU Chi-restraints excluded: chain D residue 3652 MET Chi-restraints excluded: chain D residue 3656 SER Chi-restraints excluded: chain D residue 3661 TRP Chi-restraints excluded: chain D residue 3662 ILE Chi-restraints excluded: chain D residue 3663 LEU Chi-restraints excluded: chain D residue 3669 PHE Chi-restraints excluded: chain D residue 3696 ASP Chi-restraints excluded: chain D residue 3707 ARG Chi-restraints excluded: chain D residue 3711 THR Chi-restraints excluded: chain D residue 3719 ASP Chi-restraints excluded: chain D residue 3732 SER Chi-restraints excluded: chain D residue 3764 LEU Chi-restraints excluded: chain D residue 3772 THR Chi-restraints excluded: chain D residue 3779 VAL Chi-restraints excluded: chain D residue 3787 LYS Chi-restraints excluded: chain D residue 3795 SER Chi-restraints excluded: chain D residue 3837 GLN Chi-restraints excluded: chain D residue 3867 ASN Chi-restraints excluded: chain D residue 3869 GLN Chi-restraints excluded: chain D residue 3870 ASN Chi-restraints excluded: chain D residue 3873 LYS Chi-restraints excluded: chain D residue 3874 VAL Chi-restraints excluded: chain D residue 3904 ARG Chi-restraints excluded: chain D residue 3907 THR Chi-restraints excluded: chain D residue 3916 ILE Chi-restraints excluded: chain D residue 3924 LEU Chi-restraints excluded: chain D residue 3929 SER Chi-restraints excluded: chain D residue 3930 ILE Chi-restraints excluded: chain D residue 3933 PHE Chi-restraints excluded: chain D residue 3945 GLU Chi-restraints excluded: chain D residue 3952 SER Chi-restraints excluded: chain D residue 3969 ILE Chi-restraints excluded: chain D residue 3995 VAL Chi-restraints excluded: chain D residue 4012 LEU Chi-restraints excluded: chain D residue 4014 LYS Chi-restraints excluded: chain D residue 4018 ASP 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 4051 SER Chi-restraints excluded: chain D residue 4053 SER Chi-restraints excluded: chain D residue 4064 MET Chi-restraints excluded: chain D residue 4067 LYS Chi-restraints excluded: chain D residue 4072 VAL Chi-restraints excluded: chain D residue 4082 THR Chi-restraints excluded: chain D residue 4087 LEU Chi-restraints excluded: chain D residue 4089 SER Chi-restraints excluded: chain D residue 4098 ASP Chi-restraints excluded: chain D residue 4107 GLU Chi-restraints excluded: chain D residue 4110 PHE Chi-restraints excluded: chain D residue 4111 LEU Chi-restraints excluded: chain D residue 4120 ASN Chi-restraints excluded: chain D residue 4123 ILE Chi-restraints excluded: chain D residue 4125 PHE Chi-restraints excluded: chain D residue 4127 GLU Chi-restraints excluded: chain D residue 4135 PRO Chi-restraints excluded: chain D residue 4139 ILE Chi-restraints excluded: chain D residue 4145 VAL Chi-restraints excluded: chain D residue 4154 VAL Chi-restraints excluded: chain D residue 4170 ILE Chi-restraints excluded: chain D residue 4178 LEU Chi-restraints excluded: chain D residue 4200 THR Chi-restraints excluded: chain D residue 4202 ARG Chi-restraints excluded: chain D residue 4220 ASP Chi-restraints excluded: chain D residue 4221 VAL Chi-restraints excluded: chain D residue 4232 GLU Chi-restraints excluded: chain D residue 4242 ILE Chi-restraints excluded: chain D residue 4244 GLU Chi-restraints excluded: chain D residue 4251 ILE Chi-restraints excluded: chain D residue 4546 VAL Chi-restraints excluded: chain D residue 4558 ASN Chi-restraints excluded: chain D residue 4565 LEU Chi-restraints excluded: chain D residue 4582 VAL Chi-restraints excluded: chain D residue 4634 GLU Chi-restraints excluded: chain D residue 4636 THR Chi-restraints excluded: chain D residue 4645 CYS Chi-restraints excluded: chain D residue 4665 LYS Chi-restraints excluded: chain D residue 4667 PRO Chi-restraints excluded: chain D residue 4669 VAL Chi-restraints excluded: chain D residue 4689 THR Chi-restraints excluded: chain D residue 4694 ASP Chi-restraints excluded: chain D residue 4707 ASN Chi-restraints excluded: chain D residue 4710 SER Chi-restraints excluded: chain D residue 4737 ILE Chi-restraints excluded: chain D residue 4741 LEU Chi-restraints excluded: chain D residue 4743 MET Chi-restraints excluded: chain D residue 4745 LEU Chi-restraints excluded: chain D residue 4764 LEU Chi-restraints excluded: chain D residue 4766 THR Chi-restraints excluded: chain D residue 4771 ILE Chi-restraints excluded: chain D residue 4816 ILE Chi-restraints excluded: chain D residue 4836 GLN Chi-restraints excluded: chain D residue 4838 VAL Chi-restraints excluded: chain D residue 4850 LEU Chi-restraints excluded: chain D residue 4876 CYS Chi-restraints excluded: chain D residue 4880 MET Chi-restraints excluded: chain D residue 4881 THR Chi-restraints excluded: chain D residue 4901 ILE Chi-restraints excluded: chain D residue 4918 ILE Chi-restraints excluded: chain D residue 4919 THR Chi-restraints excluded: chain D residue 4948 GLU Chi-restraints excluded: chain D residue 4952 GLU Chi-restraints excluded: chain D residue 4954 MET Chi-restraints excluded: chain D residue 4956 THR Chi-restraints excluded: chain D residue 4961 CYS Chi-restraints excluded: chain D residue 4966 ASP Chi-restraints excluded: chain D residue 4980 LEU Chi-restraints excluded: chain D residue 4989 MET Chi-restraints excluded: chain D residue 4992 LEU Chi-restraints excluded: chain D residue 5002 GLU Rotamers are restrained with sigma=4.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 0 random chunks: chunk None optimal weight: 5.9990 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 413 GLN A 465 GLN ** A 624 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 725 HIS ** A1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2005 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A2011 HIS ** A2107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2260 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2268 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2444 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4806 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A5003 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B 413 GLN B 465 GLN B 473 ASN ** B 624 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B 725 HIS ** B2005 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B2011 HIS ** B2107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2260 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2268 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B2284 ASN ** B2444 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4094 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4806 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 379 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C 413 GLN C 465 GLN C 473 ASN ** C 624 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 725 HIS ** C2005 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C2011 HIS ** C2107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2260 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C2284 ASN ** C2444 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4806 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C5003 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 413 GLN D 465 GLN D 473 ASN ** D 624 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D 725 HIS D1165 ASN ** D1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2005 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D2011 HIS ** D2107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2260 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2268 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2444 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D3771 HIS ** D4806 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D5003 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 23 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7814 moved from start: 0.8227 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.060 0.675 113365 Z= 3.861 Angle : 2.898 42.212 154462 Z= 1.532 Chirality : 0.185 1.339 18087 Planarity : 0.020 0.442 20349 Dihedral : 14.223 176.147 17060 Min Nonbonded Distance : 1.335 Molprobity Statistics. All-atom Clashscore : 50.01 Ramachandran Plot: Outliers : 2.82 % Allowed : 23.92 % Favored : 73.26 % Rotamer: Outliers : 22.81 % Allowed : 22.91 % Favored : 54.28 % Cbeta Deviations : 1.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 7.45 % Twisted General : 2.64 % 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: -6.50 (0.05), residues: 12368 helix: -4.17 (0.04), residues: 5632 sheet: -3.20 (0.13), residues: 1304 loop : -4.73 (0.06), residues: 5432 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.075 0.012 TRP B1132 HIS 0.041 0.007 HIS D4983 PHE 0.087 0.013 PHE A4243 TYR 0.082 0.012 TYR D 359 ARG 0.030 0.003 ARG D4892 *********************** REFINEMENT MACRO_CYCLE 4 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 24736 Ramachandran restraints generated. 12368 Oldfield, 0 Emsley, 12368 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 24736 Ramachandran restraints generated. 12368 Oldfield, 0 Emsley, 12368 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3080 residues out of total 10876 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2217 poor density : 863 time to evaluate : 8.875 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: A 65 CYS cc_start: 0.8449 (m) cc_final: 0.7888 (t) REVERT: A 99 ARG cc_start: 0.6820 (OUTLIER) cc_final: 0.6569 (ttt180) REVERT: A 115 ARG cc_start: 0.8397 (OUTLIER) cc_final: 0.7538 (mmm-85) REVERT: A 169 LEU cc_start: 0.6784 (OUTLIER) cc_final: 0.6537 (mt) REVERT: A 170 ILE cc_start: 0.6582 (OUTLIER) cc_final: 0.6377 (mt) REVERT: A 189 LEU cc_start: 0.8253 (OUTLIER) cc_final: 0.7945 (mt) REVERT: A 197 GLN cc_start: 0.8374 (OUTLIER) cc_final: 0.8121 (tt0) REVERT: A 276 TRP cc_start: 0.5850 (OUTLIER) cc_final: 0.5512 (m-10) REVERT: A 317 ARG cc_start: 0.7479 (OUTLIER) cc_final: 0.6542 (mmp80) REVERT: A 319 SER cc_start: 0.4493 (OUTLIER) cc_final: 0.3875 (p) REVERT: A 334 MET cc_start: 0.7122 (mmm) cc_final: 0.5847 (mmp) REVERT: A 346 CYS cc_start: 0.6123 (OUTLIER) cc_final: 0.5630 (p) REVERT: A 392 ARG cc_start: 0.5846 (OUTLIER) cc_final: 0.5517 (ptt-90) REVERT: A 477 LEU cc_start: 0.8274 (OUTLIER) cc_final: 0.7986 (mt) REVERT: A 481 GLU cc_start: 0.8017 (OUTLIER) cc_final: 0.7382 (mp0) REVERT: A 484 LEU cc_start: 0.8638 (OUTLIER) cc_final: 0.8429 (tt) REVERT: A 505 GLU cc_start: 0.6826 (OUTLIER) cc_final: 0.5998 (tm-30) REVERT: A 510 GLU cc_start: 0.6630 (OUTLIER) cc_final: 0.6181 (mm-30) REVERT: A 513 GLU cc_start: 0.8114 (mp0) cc_final: 0.7784 (mp0) REVERT: A 575 LEU cc_start: 0.9001 (OUTLIER) cc_final: 0.8770 (mp) REVERT: A 625 LEU cc_start: 0.5774 (OUTLIER) cc_final: 0.5130 (tp) REVERT: A 663 TYR cc_start: 0.3497 (OUTLIER) cc_final: 0.1047 (t80) REVERT: A 667 MET cc_start: 0.7460 (OUTLIER) cc_final: 0.6505 (tmm) REVERT: A 710 ASP cc_start: 0.8490 (OUTLIER) cc_final: 0.8075 (p0) REVERT: A 777 PHE cc_start: 0.8036 (OUTLIER) cc_final: 0.7612 (m-10) REVERT: A 800 PHE cc_start: 0.6659 (OUTLIER) cc_final: 0.5742 (m-80) REVERT: A 801 LYS cc_start: 0.8050 (OUTLIER) cc_final: 0.6757 (mmtm) REVERT: A 822 ARG cc_start: 0.6273 (OUTLIER) cc_final: 0.4997 (ptt-90) REVERT: A 831 ARG cc_start: 0.7787 (OUTLIER) cc_final: 0.7501 (ptp-110) REVERT: A 933 LEU cc_start: 0.4474 (OUTLIER) cc_final: 0.4118 (pp) REVERT: A 961 MET cc_start: 0.5332 (OUTLIER) cc_final: 0.4075 (ptm) REVERT: A 970 LEU cc_start: 0.2776 (OUTLIER) cc_final: 0.1507 (pt) REVERT: A 1127 HIS cc_start: 0.6458 (OUTLIER) cc_final: 0.6005 (t70) REVERT: A 1131 ARG cc_start: 0.7488 (OUTLIER) cc_final: 0.7257 (ptt180) REVERT: A 1137 GLU cc_start: 0.7874 (OUTLIER) cc_final: 0.7342 (mm-30) REVERT: A 1141 ARG cc_start: 0.7836 (OUTLIER) cc_final: 0.7630 (ptt90) REVERT: A 1271 ARG cc_start: 0.7648 (OUTLIER) cc_final: 0.7218 (ttp-110) REVERT: A 1580 PHE cc_start: 0.8520 (OUTLIER) cc_final: 0.6551 (t80) REVERT: A 1600 LEU cc_start: 0.8925 (OUTLIER) cc_final: 0.7989 (tp) REVERT: A 1654 SER cc_start: 0.8474 (OUTLIER) cc_final: 0.8103 (t) REVERT: A 1657 LEU cc_start: 0.9325 (OUTLIER) cc_final: 0.9055 (mp) REVERT: A 1700 ASP cc_start: 0.8583 (OUTLIER) cc_final: 0.8178 (m-30) REVERT: A 1733 GLU cc_start: 0.8243 (OUTLIER) cc_final: 0.6889 (mp0) REVERT: A 1772 ARG cc_start: 0.8790 (OUTLIER) cc_final: 0.8385 (mtt-85) REVERT: A 1815 LEU cc_start: 0.9022 (OUTLIER) cc_final: 0.8294 (mp) REVERT: A 1873 GLU cc_start: 0.6725 (OUTLIER) cc_final: 0.6524 (tm-30) REVERT: A 1993 ARG cc_start: 0.5925 (OUTLIER) cc_final: 0.5536 (mtm-85) REVERT: A 2039 LEU cc_start: 0.8651 (OUTLIER) cc_final: 0.8254 (mp) REVERT: A 2092 GLN cc_start: 0.7593 (mm-40) cc_final: 0.7327 (mm110) REVERT: A 2169 GLN cc_start: 0.8778 (OUTLIER) cc_final: 0.8014 (tt0) REVERT: A 2170 MET cc_start: 0.7711 (OUTLIER) cc_final: 0.6824 (tmm) REVERT: A 2199 ARG cc_start: 0.8486 (OUTLIER) cc_final: 0.7301 (mtm-85) REVERT: A 2221 LYS cc_start: 0.6614 (OUTLIER) cc_final: 0.6136 (tttt) REVERT: A 2227 LYS cc_start: 0.8654 (OUTLIER) cc_final: 0.8275 (ttmm) REVERT: A 2244 ARG cc_start: 0.8095 (OUTLIER) cc_final: 0.7323 (mtp85) REVERT: A 2265 LEU cc_start: 0.7140 (mp) cc_final: 0.6873 (mm) REVERT: A 2284 ASN cc_start: 0.7809 (OUTLIER) cc_final: 0.7175 (t0) REVERT: A 2295 LEU cc_start: 0.7925 (OUTLIER) cc_final: 0.7594 (mm) REVERT: A 2296 GLU cc_start: 0.8859 (OUTLIER) cc_final: 0.8378 (tp30) REVERT: A 2416 VAL cc_start: 0.8159 (OUTLIER) cc_final: 0.7894 (t) REVERT: A 3669 PHE cc_start: 0.8571 (OUTLIER) cc_final: 0.8161 (p90) REVERT: A 3756 LYS cc_start: 0.6973 (OUTLIER) cc_final: 0.6761 (pttt) REVERT: A 3758 MET cc_start: 0.7559 (tpp) cc_final: 0.7147 (tpp) REVERT: A 3787 LYS cc_start: 0.9157 (OUTLIER) cc_final: 0.8596 (mttp) REVERT: A 3837 GLN cc_start: 0.9011 (OUTLIER) cc_final: 0.8549 (mt0) REVERT: A 3869 GLN cc_start: 0.6833 (OUTLIER) cc_final: 0.6493 (pm20) REVERT: A 3904 ARG cc_start: 0.9180 (OUTLIER) cc_final: 0.8714 (ttp-110) REVERT: A 3916 ILE cc_start: 0.8823 (OUTLIER) cc_final: 0.8595 (mt) REVERT: A 3924 LEU cc_start: 0.8971 (OUTLIER) cc_final: 0.8601 (tt) REVERT: A 3970 GLN cc_start: 0.8269 (OUTLIER) cc_final: 0.7864 (tt0) REVERT: A 4005 GLN cc_start: 0.7106 (OUTLIER) cc_final: 0.5966 (mt0) REVERT: A 4015 GLU cc_start: 0.7852 (OUTLIER) cc_final: 0.7513 (mm-30) REVERT: A 4102 GLN cc_start: 0.4627 (OUTLIER) cc_final: 0.4183 (pt0) REVERT: A 4110 PHE cc_start: 0.3304 (OUTLIER) cc_final: 0.2576 (m-80) REVERT: A 4135 PRO cc_start: 0.7585 (OUTLIER) cc_final: 0.7302 (Cg_endo) REVERT: A 4159 ARG cc_start: 0.8868 (OUTLIER) cc_final: 0.8133 (mtm-85) REVERT: A 4196 GLU cc_start: 0.8842 (OUTLIER) cc_final: 0.8610 (tt0) REVERT: A 4202 ARG cc_start: 0.8415 (OUTLIER) cc_final: 0.6792 (tpp80) REVERT: A 4232 GLU cc_start: 0.9026 (OUTLIER) cc_final: 0.8163 (tt0) REVERT: A 4244 GLU cc_start: 0.8926 (OUTLIER) cc_final: 0.8088 (mm-30) REVERT: A 4632 LEU cc_start: 0.8872 (tp) cc_final: 0.8493 (tt) REVERT: A 4741 LEU cc_start: 0.9230 (OUTLIER) cc_final: 0.8714 (mp) REVERT: A 4796 MET cc_start: 0.8916 (OUTLIER) cc_final: 0.8039 (tpt) REVERT: A 4836 GLN cc_start: 0.9152 (OUTLIER) cc_final: 0.8305 (mt0) REVERT: A 4839 MET cc_start: 0.9222 (mmm) cc_final: 0.8968 (mtp) REVERT: A 4952 GLU cc_start: 0.8434 (OUTLIER) cc_final: 0.7283 (tm-30) REVERT: B 65 CYS cc_start: 0.8443 (m) cc_final: 0.7914 (t) REVERT: B 127 MET cc_start: 0.6233 (ttp) cc_final: 0.6001 (ttp) REVERT: B 169 LEU cc_start: 0.6839 (OUTLIER) cc_final: 0.6595 (mt) REVERT: B 189 LEU cc_start: 0.8266 (OUTLIER) cc_final: 0.7958 (mt) REVERT: B 276 TRP cc_start: 0.5869 (OUTLIER) cc_final: 0.5661 (m-10) REVERT: B 317 ARG cc_start: 0.7476 (OUTLIER) cc_final: 0.6476 (mmp80) REVERT: B 319 SER cc_start: 0.5000 (OUTLIER) cc_final: 0.4366 (p) REVERT: B 334 MET cc_start: 0.7116 (mmm) cc_final: 0.5869 (mmp) REVERT: B 346 CYS cc_start: 0.6104 (OUTLIER) cc_final: 0.5629 (p) REVERT: B 392 ARG cc_start: 0.5941 (OUTLIER) cc_final: 0.5682 (ptt-90) REVERT: B 396 GLU cc_start: 0.6960 (OUTLIER) cc_final: 0.6675 (pp20) REVERT: B 484 LEU cc_start: 0.8610 (OUTLIER) cc_final: 0.8398 (tt) REVERT: B 529 LEU cc_start: 0.8784 (OUTLIER) cc_final: 0.8513 (tp) REVERT: B 575 LEU cc_start: 0.8977 (OUTLIER) cc_final: 0.8743 (mp) REVERT: B 625 LEU cc_start: 0.5803 (OUTLIER) cc_final: 0.5106 (tp) REVERT: B 663 TYR cc_start: 0.3920 (OUTLIER) cc_final: 0.1191 (t80) REVERT: B 710 ASP cc_start: 0.8392 (OUTLIER) cc_final: 0.7958 (p0) REVERT: B 714 TYR cc_start: 0.6778 (OUTLIER) cc_final: 0.6014 (m-80) REVERT: B 768 PHE cc_start: 0.6494 (OUTLIER) cc_final: 0.5689 (m-80) REVERT: B 800 PHE cc_start: 0.6627 (OUTLIER) cc_final: 0.5654 (m-10) REVERT: B 801 LYS cc_start: 0.8062 (OUTLIER) cc_final: 0.6812 (mmtt) REVERT: B 822 ARG cc_start: 0.6261 (OUTLIER) cc_final: 0.5035 (ptt-90) REVERT: B 831 ARG cc_start: 0.7737 (OUTLIER) cc_final: 0.7366 (ptp-110) REVERT: B 866 HIS cc_start: 0.6614 (OUTLIER) cc_final: 0.4982 (t-170) REVERT: B 933 LEU cc_start: 0.4658 (OUTLIER) cc_final: 0.4293 (pp) REVERT: B 961 MET cc_start: 0.5046 (OUTLIER) cc_final: 0.4207 (ptt) REVERT: B 970 LEU cc_start: 0.4139 (OUTLIER) cc_final: 0.3148 (pt) REVERT: B 1127 HIS cc_start: 0.6660 (OUTLIER) cc_final: 0.6218 (t70) REVERT: B 1131 ARG cc_start: 0.7518 (OUTLIER) cc_final: 0.7272 (ptt180) REVERT: B 1137 GLU cc_start: 0.7839 (OUTLIER) cc_final: 0.7276 (mm-30) REVERT: B 1198 GLN cc_start: 0.7785 (OUTLIER) cc_final: 0.7556 (mp10) REVERT: B 1219 LEU cc_start: 0.8219 (OUTLIER) cc_final: 0.7849 (mm) REVERT: B 1254 HIS cc_start: 0.7698 (OUTLIER) cc_final: 0.7347 (p90) REVERT: B 1271 ARG cc_start: 0.7658 (OUTLIER) cc_final: 0.7211 (ttp-110) REVERT: B 1489 CYS cc_start: 0.4334 (OUTLIER) cc_final: 0.3487 (t) REVERT: B 1580 PHE cc_start: 0.8586 (OUTLIER) cc_final: 0.6493 (t80) REVERT: B 1583 GLU cc_start: 0.5751 (OUTLIER) cc_final: 0.4073 (mm-30) REVERT: B 1600 LEU cc_start: 0.8938 (OUTLIER) cc_final: 0.8000 (tp) REVERT: B 1601 MET cc_start: 0.8158 (mtt) cc_final: 0.7891 (mtp) REVERT: B 1657 LEU cc_start: 0.9291 (OUTLIER) cc_final: 0.9007 (mp) REVERT: B 1668 ARG cc_start: 0.9079 (OUTLIER) cc_final: 0.8413 (ttm-80) REVERT: B 1700 ASP cc_start: 0.8596 (OUTLIER) cc_final: 0.8202 (m-30) REVERT: B 1733 GLU cc_start: 0.8240 (OUTLIER) cc_final: 0.6887 (mp0) REVERT: B 1772 ARG cc_start: 0.8778 (OUTLIER) cc_final: 0.8349 (mtt-85) REVERT: B 1782 PHE cc_start: 0.7580 (OUTLIER) cc_final: 0.7017 (p90) REVERT: B 1815 LEU cc_start: 0.9020 (OUTLIER) cc_final: 0.8294 (mp) REVERT: B 1873 GLU cc_start: 0.6584 (OUTLIER) cc_final: 0.6298 (tm-30) REVERT: B 1993 ARG cc_start: 0.5996 (OUTLIER) cc_final: 0.5367 (mtm-85) REVERT: B 2039 LEU cc_start: 0.8703 (OUTLIER) cc_final: 0.8286 (mp) REVERT: B 2092 GLN cc_start: 0.7621 (mm-40) cc_final: 0.7330 (mm110) REVERT: B 2169 GLN cc_start: 0.8769 (OUTLIER) cc_final: 0.7998 (tt0) REVERT: B 2170 MET cc_start: 0.7746 (OUTLIER) cc_final: 0.6847 (tmm) REVERT: B 2199 ARG cc_start: 0.8486 (OUTLIER) cc_final: 0.7285 (mtm-85) REVERT: B 2221 LYS cc_start: 0.6578 (OUTLIER) cc_final: 0.6091 (tttt) REVERT: B 2227 LYS cc_start: 0.8668 (OUTLIER) cc_final: 0.8290 (ttmm) REVERT: B 2244 ARG cc_start: 0.8116 (OUTLIER) cc_final: 0.7339 (mtp85) REVERT: B 2265 LEU cc_start: 0.7128 (mp) cc_final: 0.6863 (mm) REVERT: B 2295 LEU cc_start: 0.7953 (OUTLIER) cc_final: 0.7580 (mm) REVERT: B 2296 GLU cc_start: 0.8702 (OUTLIER) cc_final: 0.8192 (tp30) REVERT: B 2377 LEU cc_start: 0.5195 (OUTLIER) cc_final: 0.4957 (mm) REVERT: B 2416 VAL cc_start: 0.8129 (OUTLIER) cc_final: 0.7912 (t) REVERT: B 3670 GLU cc_start: 0.8476 (OUTLIER) cc_final: 0.7978 (mp0) REVERT: B 3707 ARG cc_start: 0.8431 (OUTLIER) cc_final: 0.8199 (ttt90) REVERT: B 3758 MET cc_start: 0.7589 (tpp) cc_final: 0.7172 (tpp) REVERT: B 3837 GLN cc_start: 0.9014 (OUTLIER) cc_final: 0.8554 (mt0) REVERT: B 3872 GLU cc_start: 0.7897 (OUTLIER) cc_final: 0.7362 (pm20) REVERT: B 3904 ARG cc_start: 0.9176 (OUTLIER) cc_final: 0.8706 (ttp-110) REVERT: B 3916 ILE cc_start: 0.8815 (OUTLIER) cc_final: 0.8590 (mp) REVERT: B 3924 LEU cc_start: 0.8966 (OUTLIER) cc_final: 0.8596 (tt) REVERT: B 3970 GLN cc_start: 0.8233 (OUTLIER) cc_final: 0.7826 (tt0) REVERT: B 4005 GLN cc_start: 0.7108 (OUTLIER) cc_final: 0.5962 (mt0) REVERT: B 4014 LYS cc_start: 0.6138 (OUTLIER) cc_final: 0.5692 (ptmt) REVERT: B 4110 PHE cc_start: 0.3338 (OUTLIER) cc_final: 0.2602 (m-80) REVERT: B 4135 PRO cc_start: 0.7589 (OUTLIER) cc_final: 0.7304 (Cg_endo) REVERT: B 4159 ARG cc_start: 0.8862 (OUTLIER) cc_final: 0.8168 (mtm-85) REVERT: B 4202 ARG cc_start: 0.8429 (OUTLIER) cc_final: 0.6738 (tpp80) REVERT: B 4232 GLU cc_start: 0.9028 (OUTLIER) cc_final: 0.8167 (tt0) REVERT: B 4244 GLU cc_start: 0.8932 (OUTLIER) cc_final: 0.8113 (mm-30) REVERT: B 4632 LEU cc_start: 0.8893 (tp) cc_final: 0.8468 (tt) REVERT: B 4741 LEU cc_start: 0.9221 (OUTLIER) cc_final: 0.8703 (mp) REVERT: B 4796 MET cc_start: 0.8909 (OUTLIER) cc_final: 0.8035 (tpt) REVERT: B 4836 GLN cc_start: 0.9157 (OUTLIER) cc_final: 0.8315 (mt0) REVERT: B 4948 GLU cc_start: 0.8803 (OUTLIER) cc_final: 0.8166 (mp0) REVERT: C 65 CYS cc_start: 0.8475 (m) cc_final: 0.7914 (t) REVERT: C 115 ARG cc_start: 0.8401 (OUTLIER) cc_final: 0.7536 (mmm-85) REVERT: C 127 MET cc_start: 0.6244 (ttp) cc_final: 0.6018 (ttp) REVERT: C 169 LEU cc_start: 0.6840 (OUTLIER) cc_final: 0.6587 (mt) REVERT: C 197 GLN cc_start: 0.8371 (OUTLIER) cc_final: 0.8015 (tt0) REVERT: C 244 LEU cc_start: 0.8619 (mt) cc_final: 0.8404 (mt) REVERT: C 317 ARG cc_start: 0.7505 (OUTLIER) cc_final: 0.6493 (mmp80) REVERT: C 319 SER cc_start: 0.4393 (OUTLIER) cc_final: 0.3839 (p) REVERT: C 334 MET cc_start: 0.7115 (mmm) cc_final: 0.5866 (mmp) REVERT: C 346 CYS cc_start: 0.6087 (OUTLIER) cc_final: 0.5632 (p) REVERT: C 356 TRP cc_start: 0.5900 (m-90) cc_final: 0.5601 (m-90) REVERT: C 392 ARG cc_start: 0.5956 (OUTLIER) cc_final: 0.5699 (ptt-90) REVERT: C 396 GLU cc_start: 0.7074 (OUTLIER) cc_final: 0.6770 (pp20) REVERT: C 477 LEU cc_start: 0.8255 (OUTLIER) cc_final: 0.7985 (mt) REVERT: C 481 GLU cc_start: 0.7986 (OUTLIER) cc_final: 0.7354 (mp0) REVERT: C 503 PHE cc_start: 0.7903 (OUTLIER) cc_final: 0.7263 (m-80) REVERT: C 575 LEU cc_start: 0.8978 (OUTLIER) cc_final: 0.8743 (mp) REVERT: C 590 LEU cc_start: 0.9040 (OUTLIER) cc_final: 0.8735 (mt) REVERT: C 625 LEU cc_start: 0.5751 (OUTLIER) cc_final: 0.5064 (tp) REVERT: C 663 TYR cc_start: 0.3865 (OUTLIER) cc_final: 0.1157 (t80) REVERT: C 710 ASP cc_start: 0.8381 (OUTLIER) cc_final: 0.7973 (p0) REVERT: C 800 PHE cc_start: 0.6739 (OUTLIER) cc_final: 0.5628 (m-80) REVERT: C 801 LYS cc_start: 0.8019 (OUTLIER) cc_final: 0.6768 (mmpt) REVERT: C 822 ARG cc_start: 0.6284 (OUTLIER) cc_final: 0.5024 (ptt-90) REVERT: C 831 ARG cc_start: 0.7748 (OUTLIER) cc_final: 0.7382 (ptp-110) REVERT: C 933 LEU cc_start: 0.4570 (OUTLIER) cc_final: 0.4195 (pp) REVERT: C 961 MET cc_start: 0.5314 (OUTLIER) cc_final: 0.4265 (ptt) REVERT: C 970 LEU cc_start: 0.2795 (OUTLIER) cc_final: 0.1510 (pt) REVERT: C 1127 HIS cc_start: 0.6781 (OUTLIER) cc_final: 0.6226 (t70) REVERT: C 1131 ARG cc_start: 0.7523 (OUTLIER) cc_final: 0.7290 (ptt180) REVERT: C 1137 GLU cc_start: 0.7869 (OUTLIER) cc_final: 0.7310 (mm-30) REVERT: C 1219 LEU cc_start: 0.8100 (OUTLIER) cc_final: 0.7738 (mm) REVERT: C 1271 ARG cc_start: 0.7614 (OUTLIER) cc_final: 0.7101 (ttp-110) REVERT: C 1467 SER cc_start: 0.6323 (OUTLIER) cc_final: 0.5870 (t) REVERT: C 1600 LEU cc_start: 0.8935 (OUTLIER) cc_final: 0.7985 (tp) REVERT: C 1657 LEU cc_start: 0.9290 (OUTLIER) cc_final: 0.9006 (mp) REVERT: C 1668 ARG cc_start: 0.9075 (OUTLIER) cc_final: 0.8398 (ttm-80) REVERT: C 1700 ASP cc_start: 0.8599 (OUTLIER) cc_final: 0.8210 (m-30) REVERT: C 1733 GLU cc_start: 0.8243 (OUTLIER) cc_final: 0.6903 (mp0) REVERT: C 1772 ARG cc_start: 0.8789 (OUTLIER) cc_final: 0.8422 (mtt-85) REVERT: C 1815 LEU cc_start: 0.9019 (OUTLIER) cc_final: 0.8299 (mp) REVERT: C 1873 GLU cc_start: 0.6692 (OUTLIER) cc_final: 0.6492 (tm-30) REVERT: C 1930 LYS cc_start: 0.8652 (OUTLIER) cc_final: 0.8089 (ttpp) REVERT: C 1993 ARG cc_start: 0.6006 (OUTLIER) cc_final: 0.5366 (mtm-85) REVERT: C 2039 LEU cc_start: 0.8654 (OUTLIER) cc_final: 0.8281 (mp) REVERT: C 2092 GLN cc_start: 0.7616 (mm-40) cc_final: 0.7337 (mm110) REVERT: C 2169 GLN cc_start: 0.8771 (OUTLIER) cc_final: 0.8001 (tt0) REVERT: C 2170 MET cc_start: 0.7693 (OUTLIER) cc_final: 0.6794 (tmm) REVERT: C 2199 ARG cc_start: 0.8486 (OUTLIER) cc_final: 0.7351 (mtm-85) REVERT: C 2221 LYS cc_start: 0.6683 (OUTLIER) cc_final: 0.6137 (tttt) REVERT: C 2227 LYS cc_start: 0.8678 (OUTLIER) cc_final: 0.8360 (ttmm) REVERT: C 2244 ARG cc_start: 0.8114 (OUTLIER) cc_final: 0.7315 (mtp85) REVERT: C 2295 LEU cc_start: 0.7909 (OUTLIER) cc_final: 0.7574 (mm) REVERT: C 2296 GLU cc_start: 0.8851 (OUTLIER) cc_final: 0.8370 (tp30) REVERT: C 2377 LEU cc_start: 0.5257 (OUTLIER) cc_final: 0.5043 (mm) REVERT: C 2416 VAL cc_start: 0.8129 (OUTLIER) cc_final: 0.7862 (t) REVERT: C 3707 ARG cc_start: 0.8443 (OUTLIER) cc_final: 0.8207 (ttt90) REVERT: C 3758 MET cc_start: 0.7595 (tpp) cc_final: 0.7182 (tpp) REVERT: C 3837 GLN cc_start: 0.9013 (OUTLIER) cc_final: 0.8555 (mt0) REVERT: C 3873 LYS cc_start: 0.8251 (OUTLIER) cc_final: 0.7643 (tppt) REVERT: C 3904 ARG cc_start: 0.9173 (OUTLIER) cc_final: 0.8715 (ttp-110) REVERT: C 3916 ILE cc_start: 0.8836 (OUTLIER) cc_final: 0.8610 (mt) REVERT: C 3924 LEU cc_start: 0.8958 (OUTLIER) cc_final: 0.8594 (tt) REVERT: C 3970 GLN cc_start: 0.8237 (OUTLIER) cc_final: 0.7836 (tt0) REVERT: C 4005 GLN cc_start: 0.7086 (OUTLIER) cc_final: 0.6062 (mt0) REVERT: C 4014 LYS cc_start: 0.6143 (OUTLIER) cc_final: 0.5719 (ptmt) REVERT: C 4110 PHE cc_start: 0.3499 (OUTLIER) cc_final: 0.2779 (m-80) REVERT: C 4135 PRO cc_start: 0.7598 (OUTLIER) cc_final: 0.7313 (Cg_endo) REVERT: C 4159 ARG cc_start: 0.8862 (OUTLIER) cc_final: 0.8106 (mtm-85) REVERT: C 4202 ARG cc_start: 0.8415 (OUTLIER) cc_final: 0.6803 (tpp80) REVERT: C 4232 GLU cc_start: 0.9039 (OUTLIER) cc_final: 0.8182 (tt0) REVERT: C 4244 GLU cc_start: 0.8933 (OUTLIER) cc_final: 0.8114 (mm-30) REVERT: C 4632 LEU cc_start: 0.8893 (tp) cc_final: 0.8578 (tt) REVERT: C 4741 LEU cc_start: 0.9226 (OUTLIER) cc_final: 0.8711 (mp) REVERT: C 4836 GLN cc_start: 0.9148 (OUTLIER) cc_final: 0.8324 (mt0) REVERT: C 4839 MET cc_start: 0.9240 (mmm) cc_final: 0.8954 (mtp) REVERT: C 4948 GLU cc_start: 0.8792 (OUTLIER) cc_final: 0.8134 (mp0) REVERT: D 23 GLN cc_start: 0.7135 (OUTLIER) cc_final: 0.6933 (pt0) REVERT: D 65 CYS cc_start: 0.8454 (m) cc_final: 0.7900 (t) REVERT: D 115 ARG cc_start: 0.8404 (OUTLIER) cc_final: 0.7551 (mmm-85) REVERT: D 127 MET cc_start: 0.6248 (ttp) cc_final: 0.6005 (ttp) REVERT: D 169 LEU cc_start: 0.6880 (OUTLIER) cc_final: 0.6668 (mt) REVERT: D 189 LEU cc_start: 0.8304 (OUTLIER) cc_final: 0.8026 (mt) REVERT: D 197 GLN cc_start: 0.8390 (OUTLIER) cc_final: 0.7980 (tt0) REVERT: D 244 LEU cc_start: 0.8618 (mt) cc_final: 0.8404 (mt) REVERT: D 317 ARG cc_start: 0.7495 (OUTLIER) cc_final: 0.6497 (mmp80) REVERT: D 319 SER cc_start: 0.4554 (OUTLIER) cc_final: 0.3972 (p) REVERT: D 334 MET cc_start: 0.7041 (mmm) cc_final: 0.5843 (mmp) REVERT: D 346 CYS cc_start: 0.6107 (OUTLIER) cc_final: 0.5689 (p) REVERT: D 392 ARG cc_start: 0.5659 (OUTLIER) cc_final: 0.5301 (ptt-90) REVERT: D 477 LEU cc_start: 0.8294 (OUTLIER) cc_final: 0.8017 (mt) REVERT: D 481 GLU cc_start: 0.8011 (OUTLIER) cc_final: 0.7378 (mp0) REVERT: D 484 LEU cc_start: 0.8658 (OUTLIER) cc_final: 0.8441 (tt) REVERT: D 505 GLU cc_start: 0.6890 (OUTLIER) cc_final: 0.5703 (tm-30) REVERT: D 510 GLU cc_start: 0.6427 (OUTLIER) cc_final: 0.5781 (mm-30) REVERT: D 513 GLU cc_start: 0.8170 (mp0) cc_final: 0.7925 (mp0) REVERT: D 521 LEU cc_start: 0.8802 (OUTLIER) cc_final: 0.8022 (mp) REVERT: D 575 LEU cc_start: 0.8997 (OUTLIER) cc_final: 0.8764 (mp) REVERT: D 625 LEU cc_start: 0.5709 (OUTLIER) cc_final: 0.5113 (tp) REVERT: D 629 ARG cc_start: 0.8593 (OUTLIER) cc_final: 0.6328 (mmt90) REVERT: D 710 ASP cc_start: 0.8402 (OUTLIER) cc_final: 0.7938 (p0) REVERT: D 800 PHE cc_start: 0.6446 (OUTLIER) cc_final: 0.5539 (m-80) REVERT: D 801 LYS cc_start: 0.7162 (OUTLIER) cc_final: 0.6593 (mmtt) REVERT: D 822 ARG cc_start: 0.6290 (OUTLIER) cc_final: 0.5018 (ptt-90) REVERT: D 831 ARG cc_start: 0.7762 (OUTLIER) cc_final: 0.7467 (ptp-110) REVERT: D 961 MET cc_start: 0.4791 (OUTLIER) cc_final: 0.4137 (ptt) REVERT: D 970 LEU cc_start: 0.2843 (OUTLIER) cc_final: 0.1565 (pt) REVERT: D 1127 HIS cc_start: 0.6824 (OUTLIER) cc_final: 0.6100 (t70) REVERT: D 1131 ARG cc_start: 0.7354 (OUTLIER) cc_final: 0.6810 (ptt180) REVERT: D 1137 GLU cc_start: 0.7852 (OUTLIER) cc_final: 0.7326 (mm-30) REVERT: D 1152 MET cc_start: 0.7310 (OUTLIER) cc_final: 0.7098 (mmm) REVERT: D 1259 ARG cc_start: 0.8632 (OUTLIER) cc_final: 0.7910 (mtt90) REVERT: D 1271 ARG cc_start: 0.7587 (OUTLIER) cc_final: 0.7020 (ttp-110) REVERT: D 1467 SER cc_start: 0.6178 (OUTLIER) cc_final: 0.5686 (t) REVERT: D 1580 PHE cc_start: 0.8486 (OUTLIER) cc_final: 0.6362 (t80) REVERT: D 1600 LEU cc_start: 0.8938 (OUTLIER) cc_final: 0.7991 (tp) REVERT: D 1601 MET cc_start: 0.8178 (mtt) cc_final: 0.7910 (mtp) REVERT: D 1661 ARG cc_start: 0.8809 (OUTLIER) cc_final: 0.8599 (ttm110) REVERT: D 1700 ASP cc_start: 0.8587 (OUTLIER) cc_final: 0.8207 (m-30) REVERT: D 1733 GLU cc_start: 0.8248 (OUTLIER) cc_final: 0.6889 (mp0) REVERT: D 1771 LEU cc_start: 0.9185 (OUTLIER) cc_final: 0.8928 (mp) REVERT: D 1772 ARG cc_start: 0.8791 (OUTLIER) cc_final: 0.8447 (mtt-85) REVERT: D 1815 LEU cc_start: 0.9021 (OUTLIER) cc_final: 0.8317 (mp) REVERT: D 1993 ARG cc_start: 0.5834 (OUTLIER) cc_final: 0.5368 (mtm-85) REVERT: D 2039 LEU cc_start: 0.8713 (OUTLIER) cc_final: 0.8294 (mp) REVERT: D 2092 GLN cc_start: 0.7597 (mm-40) cc_final: 0.7331 (mm110) REVERT: D 2169 GLN cc_start: 0.8783 (OUTLIER) cc_final: 0.8007 (tt0) REVERT: D 2170 MET cc_start: 0.7727 (OUTLIER) cc_final: 0.6860 (tmm) REVERT: D 2173 GLN cc_start: 0.7956 (OUTLIER) cc_final: 0.7732 (tt0) REVERT: D 2199 ARG cc_start: 0.8486 (OUTLIER) cc_final: 0.7286 (mtm-85) REVERT: D 2221 LYS cc_start: 0.6559 (OUTLIER) cc_final: 0.6018 (tttt) REVERT: D 2227 LYS cc_start: 0.8672 (OUTLIER) cc_final: 0.8356 (ttmm) REVERT: D 2244 ARG cc_start: 0.8104 (OUTLIER) cc_final: 0.7329 (mtp85) REVERT: D 2295 LEU cc_start: 0.7922 (OUTLIER) cc_final: 0.7602 (mm) REVERT: D 2296 GLU cc_start: 0.8846 (OUTLIER) cc_final: 0.8367 (tp30) REVERT: D 2416 VAL cc_start: 0.8158 (OUTLIER) cc_final: 0.7894 (t) REVERT: D 3670 GLU cc_start: 0.8515 (OUTLIER) cc_final: 0.8164 (mp0) REVERT: D 3756 LYS cc_start: 0.6969 (OUTLIER) cc_final: 0.6766 (pttt) REVERT: D 3758 MET cc_start: 0.7577 (tpp) cc_final: 0.7164 (tpp) REVERT: D 3837 GLN cc_start: 0.9061 (OUTLIER) cc_final: 0.8645 (mt0) REVERT: D 3869 GLN cc_start: 0.5100 (OUTLIER) cc_final: 0.4573 (pm20) REVERT: D 3904 ARG cc_start: 0.9181 (OUTLIER) cc_final: 0.8720 (ttp-110) REVERT: D 3916 ILE cc_start: 0.8827 (OUTLIER) cc_final: 0.8597 (mt) REVERT: D 3924 LEU cc_start: 0.8969 (OUTLIER) cc_final: 0.8603 (tt) REVERT: D 3970 GLN cc_start: 0.8269 (OUTLIER) cc_final: 0.7866 (tt0) REVERT: D 4005 GLN cc_start: 0.7100 (OUTLIER) cc_final: 0.5988 (mt0) REVERT: D 4014 LYS cc_start: 0.6149 (OUTLIER) cc_final: 0.5702 (ptmt) REVERT: D 4110 PHE cc_start: 0.3270 (OUTLIER) cc_final: 0.2551 (m-80) REVERT: D 4135 PRO cc_start: 0.7559 (OUTLIER) cc_final: 0.7275 (Cg_endo) REVERT: D 4159 ARG cc_start: 0.8868 (OUTLIER) cc_final: 0.8158 (mtm-85) REVERT: D 4202 ARG cc_start: 0.8420 (OUTLIER) cc_final: 0.6783 (tpp80) REVERT: D 4232 GLU cc_start: 0.9034 (OUTLIER) cc_final: 0.8175 (tt0) REVERT: D 4244 GLU cc_start: 0.8930 (OUTLIER) cc_final: 0.8089 (mm-30) REVERT: D 4632 LEU cc_start: 0.8856 (tp) cc_final: 0.8463 (tt) REVERT: D 4741 LEU cc_start: 0.9234 (OUTLIER) cc_final: 0.8718 (mp) REVERT: D 4836 GLN cc_start: 0.9142 (OUTLIER) cc_final: 0.8326 (mt0) REVERT: D 4839 MET cc_start: 0.9235 (mmm) cc_final: 0.8955 (mtp) REVERT: D 4874 MET cc_start: 0.9359 (OUTLIER) cc_final: 0.8318 (mmm) REVERT: D 4948 GLU cc_start: 0.8794 (OUTLIER) cc_final: 0.8157 (mp0) outliers start: 2217 outliers final: 1501 residues processed: 2855 average time/residue: 0.8946 time to fit residues: 4538.2468 Evaluate side-chains 2650 residues out of total 10876 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 1794 poor density : 856 time to evaluate : 8.750 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 13 PHE Chi-restraints excluded: chain A residue 18 ASP Chi-restraints excluded: chain A residue 24 CYS Chi-restraints excluded: chain A residue 25 SER Chi-restraints excluded: chain A residue 34 LYS Chi-restraints excluded: chain A residue 35 LEU Chi-restraints excluded: chain A residue 47 CYS Chi-restraints excluded: chain A residue 54 ASN Chi-restraints excluded: chain A residue 66 CYS Chi-restraints excluded: chain A residue 75 VAL Chi-restraints excluded: chain A residue 78 LEU Chi-restraints excluded: chain A residue 81 MET Chi-restraints excluded: chain A residue 82 LEU Chi-restraints excluded: chain A residue 99 ARG Chi-restraints excluded: chain A residue 109 LEU Chi-restraints excluded: chain A residue 115 ARG Chi-restraints excluded: chain A residue 119 SER Chi-restraints excluded: chain A residue 120 CYS Chi-restraints excluded: chain A residue 128 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 146 CYS Chi-restraints excluded: chain A residue 149 THR Chi-restraints excluded: chain A residue 156 GLN Chi-restraints excluded: chain A residue 169 LEU Chi-restraints excluded: chain A residue 170 ILE Chi-restraints excluded: chain A residue 184 THR Chi-restraints excluded: chain A residue 188 GLU Chi-restraints excluded: chain A residue 189 LEU Chi-restraints excluded: chain A residue 190 GLN Chi-restraints excluded: chain A residue 194 SER Chi-restraints excluded: chain A residue 197 GLN Chi-restraints excluded: chain A residue 210 GLU Chi-restraints excluded: chain A residue 214 VAL Chi-restraints excluded: chain A residue 215 THR Chi-restraints excluded: chain A residue 220 LEU Chi-restraints excluded: chain A residue 232 THR Chi-restraints excluded: chain A residue 253 CYS Chi-restraints excluded: chain A residue 255 HIS Chi-restraints excluded: chain A residue 258 SER Chi-restraints excluded: chain A residue 264 PRO Chi-restraints excluded: chain A residue 266 ARG Chi-restraints excluded: chain A residue 268 SER Chi-restraints excluded: chain A residue 272 SER Chi-restraints excluded: chain A residue 276 TRP Chi-restraints excluded: chain A residue 281 ARG Chi-restraints excluded: chain A residue 286 THR Chi-restraints excluded: chain A residue 290 TYR Chi-restraints excluded: chain A residue 291 LEU Chi-restraints excluded: chain A residue 294 THR Chi-restraints excluded: chain A residue 303 ASP Chi-restraints excluded: chain A residue 305 CYS Chi-restraints excluded: chain A residue 309 THR Chi-restraints excluded: chain A residue 312 THR Chi-restraints excluded: chain A residue 315 CYS Chi-restraints excluded: chain A residue 317 ARG Chi-restraints excluded: chain A residue 318 VAL Chi-restraints excluded: chain A residue 319 SER Chi-restraints excluded: chain A residue 320 LYS Chi-restraints excluded: chain A residue 321 GLU Chi-restraints excluded: chain A residue 339 ILE Chi-restraints excluded: chain A residue 346 CYS Chi-restraints excluded: chain A residue 348 VAL Chi-restraints excluded: chain A residue 353 SER Chi-restraints excluded: chain A residue 358 THR Chi-restraints excluded: chain A residue 379 HIS Chi-restraints excluded: chain A residue 384 MET Chi-restraints excluded: chain A residue 386 ASP Chi-restraints excluded: chain A residue 389 PHE Chi-restraints excluded: chain A residue 392 ARG Chi-restraints excluded: chain A residue 397 GLU Chi-restraints excluded: chain A residue 404 ILE Chi-restraints excluded: chain A residue 405 HIS Chi-restraints excluded: chain A residue 407 THR Chi-restraints excluded: chain A residue 413 GLN Chi-restraints excluded: chain A residue 420 SER Chi-restraints excluded: chain A residue 441 VAL Chi-restraints excluded: chain A residue 442 ILE Chi-restraints excluded: chain A residue 447 ASP Chi-restraints excluded: chain A residue 448 LEU Chi-restraints excluded: chain A residue 456 SER Chi-restraints excluded: chain A residue 470 SER Chi-restraints excluded: chain A residue 473 ASN Chi-restraints excluded: chain A residue 477 LEU Chi-restraints excluded: chain A residue 481 GLU Chi-restraints excluded: chain A residue 484 LEU Chi-restraints excluded: chain A residue 487 VAL Chi-restraints excluded: chain A residue 494 LEU Chi-restraints excluded: chain A residue 495 ASN Chi-restraints excluded: chain A residue 496 VAL Chi-restraints excluded: chain A residue 505 GLU Chi-restraints excluded: chain A residue 510 GLU Chi-restraints excluded: chain A residue 528 SER 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 540 PHE Chi-restraints excluded: chain A residue 545 ASP Chi-restraints excluded: chain A residue 549 SER Chi-restraints excluded: chain A residue 551 LEU Chi-restraints excluded: chain A residue 554 LEU Chi-restraints excluded: chain A residue 560 ILE Chi-restraints excluded: chain A residue 569 ILE Chi-restraints excluded: chain A residue 575 LEU Chi-restraints excluded: chain A residue 577 ILE Chi-restraints excluded: chain A residue 578 ILE Chi-restraints excluded: chain A residue 580 GLU Chi-restraints excluded: chain A residue 612 VAL Chi-restraints excluded: chain A residue 621 ILE Chi-restraints excluded: chain A residue 625 LEU Chi-restraints excluded: chain A residue 637 LEU Chi-restraints excluded: chain A residue 652 ARG Chi-restraints excluded: chain A residue 659 TYR Chi-restraints excluded: chain A residue 663 TYR Chi-restraints excluded: chain A residue 666 VAL Chi-restraints excluded: chain A residue 667 MET Chi-restraints excluded: chain A residue 672 VAL Chi-restraints excluded: chain A residue 675 LEU 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 705 ASN Chi-restraints excluded: chain A residue 707 VAL Chi-restraints excluded: chain A residue 709 ASP Chi-restraints excluded: chain A residue 710 ASP Chi-restraints excluded: chain A residue 721 LEU Chi-restraints excluded: chain A residue 723 THR Chi-restraints excluded: chain A residue 730 VAL 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 756 SER Chi-restraints excluded: chain A residue 760 ASN Chi-restraints excluded: chain A residue 768 PHE Chi-restraints excluded: chain A residue 773 LEU Chi-restraints excluded: chain A residue 777 PHE Chi-restraints excluded: chain A residue 778 PHE Chi-restraints excluded: chain A residue 781 VAL Chi-restraints excluded: chain A residue 800 PHE Chi-restraints excluded: chain A residue 801 LYS Chi-restraints excluded: chain A residue 821 LEU Chi-restraints excluded: chain A residue 822 ARG Chi-restraints excluded: chain A residue 826 ILE Chi-restraints excluded: chain A residue 831 ARG Chi-restraints excluded: chain A residue 840 VAL Chi-restraints excluded: chain A residue 888 GLU Chi-restraints excluded: chain A residue 925 SER Chi-restraints excluded: chain A residue 933 LEU Chi-restraints excluded: chain A residue 961 MET Chi-restraints excluded: chain A residue 970 LEU Chi-restraints excluded: chain A residue 974 HIS Chi-restraints excluded: chain A residue 1043 VAL Chi-restraints excluded: chain A residue 1072 VAL Chi-restraints excluded: chain A residue 1074 ILE Chi-restraints excluded: chain A residue 1085 SER Chi-restraints excluded: chain A residue 1093 GLU Chi-restraints excluded: chain A residue 1095 VAL Chi-restraints excluded: chain A residue 1113 VAL Chi-restraints excluded: chain A residue 1114 GLU Chi-restraints excluded: chain A residue 1123 VAL Chi-restraints excluded: chain A residue 1127 HIS Chi-restraints excluded: chain A residue 1131 ARG Chi-restraints excluded: chain A residue 1137 GLU Chi-restraints excluded: chain A residue 1141 ARG Chi-restraints excluded: chain A residue 1143 TRP Chi-restraints excluded: chain A residue 1145 SER Chi-restraints excluded: chain A residue 1147 ASP Chi-restraints excluded: chain A residue 1151 CYS Chi-restraints excluded: chain A residue 1153 ILE Chi-restraints excluded: chain A residue 1154 ASP Chi-restraints excluded: chain A residue 1155 LEU Chi-restraints excluded: chain A residue 1163 THR Chi-restraints excluded: chain A residue 1164 LEU Chi-restraints excluded: chain A residue 1168 VAL Chi-restraints excluded: chain A residue 1173 SER Chi-restraints excluded: chain A residue 1182 ILE Chi-restraints excluded: chain A residue 1190 PRO Chi-restraints excluded: chain A residue 1192 CYS Chi-restraints excluded: chain A residue 1202 LEU Chi-restraints excluded: chain A residue 1204 LEU Chi-restraints excluded: chain A residue 1208 VAL Chi-restraints excluded: chain A residue 1219 LEU Chi-restraints excluded: chain A residue 1229 ASN Chi-restraints excluded: chain A residue 1234 VAL Chi-restraints excluded: chain A residue 1238 PHE Chi-restraints excluded: chain A residue 1241 SER 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 1269 CYS Chi-restraints excluded: chain A residue 1271 ARG Chi-restraints excluded: chain A residue 1282 SER Chi-restraints excluded: chain A residue 1283 LEU Chi-restraints excluded: chain A residue 1287 LEU Chi-restraints excluded: chain A residue 1431 THR Chi-restraints excluded: chain A residue 1439 VAL Chi-restraints excluded: chain A residue 1444 GLU Chi-restraints excluded: chain A residue 1453 VAL Chi-restraints excluded: chain A residue 1457 TYR Chi-restraints excluded: chain A residue 1466 LEU Chi-restraints excluded: chain A residue 1467 SER Chi-restraints excluded: chain A residue 1469 VAL Chi-restraints excluded: chain A residue 1483 VAL Chi-restraints excluded: chain A residue 1486 SER Chi-restraints excluded: chain A residue 1576 SER Chi-restraints excluded: chain A residue 1580 PHE Chi-restraints excluded: chain A residue 1581 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 1603 VAL Chi-restraints excluded: chain A residue 1607 ARG Chi-restraints excluded: chain A residue 1632 ASP Chi-restraints excluded: chain A residue 1634 LEU Chi-restraints excluded: chain A residue 1636 MET Chi-restraints excluded: chain A residue 1642 PRO Chi-restraints excluded: chain A residue 1647 CYS 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 1685 LEU Chi-restraints excluded: chain A residue 1687 SER Chi-restraints excluded: chain A residue 1698 LEU Chi-restraints excluded: chain A residue 1699 GLU Chi-restraints excluded: chain A residue 1700 ASP Chi-restraints excluded: chain A residue 1704 PRO Chi-restraints excluded: chain A residue 1706 PRO Chi-restraints excluded: chain A residue 1717 SER Chi-restraints excluded: chain A residue 1733 GLU Chi-restraints excluded: chain A residue 1736 VAL Chi-restraints excluded: chain A residue 1738 LEU Chi-restraints excluded: chain A residue 1739 THR Chi-restraints excluded: chain A residue 1760 HIS Chi-restraints excluded: chain A residue 1770 SER Chi-restraints excluded: chain A residue 1771 LEU Chi-restraints excluded: chain A residue 1772 ARG Chi-restraints excluded: chain A residue 1778 SER Chi-restraints excluded: chain A residue 1802 ILE Chi-restraints excluded: chain A residue 1812 LEU Chi-restraints excluded: chain A residue 1815 LEU Chi-restraints excluded: chain A residue 1830 VAL Chi-restraints excluded: chain A residue 1834 VAL Chi-restraints excluded: chain A residue 1837 GLN Chi-restraints excluded: chain A residue 1849 LEU Chi-restraints excluded: chain A residue 1857 GLU Chi-restraints excluded: chain A residue 1873 GLU Chi-restraints excluded: chain A residue 1929 MET Chi-restraints excluded: chain A residue 1934 SER Chi-restraints excluded: chain A residue 1955 VAL Chi-restraints excluded: chain A residue 1957 SER Chi-restraints excluded: chain A residue 1961 PHE Chi-restraints excluded: chain A residue 1966 VAL Chi-restraints excluded: chain A residue 1969 LEU Chi-restraints excluded: chain A residue 1981 MET Chi-restraints excluded: chain A residue 1993 ARG Chi-restraints excluded: chain A residue 2011 HIS Chi-restraints excluded: chain A residue 2020 ASP Chi-restraints excluded: chain A residue 2030 ASP Chi-restraints excluded: chain A residue 2037 ASP Chi-restraints excluded: chain A residue 2039 LEU Chi-restraints excluded: chain A residue 2093 SER Chi-restraints excluded: chain A residue 2094 LEU Chi-restraints excluded: chain A residue 2095 GLN Chi-restraints excluded: chain A residue 2097 LEU Chi-restraints excluded: chain A residue 2098 VAL Chi-restraints excluded: chain A residue 2111 VAL Chi-restraints excluded: chain A residue 2122 SER Chi-restraints excluded: chain A residue 2136 ARG Chi-restraints excluded: chain A residue 2143 THR Chi-restraints excluded: chain A residue 2148 SER Chi-restraints excluded: chain A residue 2156 LEU Chi-restraints excluded: chain A residue 2166 LEU Chi-restraints excluded: chain A residue 2167 ILE Chi-restraints excluded: chain A residue 2169 GLN Chi-restraints excluded: chain A residue 2170 MET Chi-restraints excluded: chain A residue 2175 GLU Chi-restraints excluded: chain A residue 2186 MET Chi-restraints excluded: chain A residue 2187 ASN Chi-restraints excluded: chain A residue 2199 ARG Chi-restraints excluded: chain A residue 2221 LYS Chi-restraints excluded: chain A residue 2227 LYS Chi-restraints excluded: chain A residue 2228 MET Chi-restraints excluded: chain A residue 2229 VAL Chi-restraints excluded: chain A residue 2230 THR Chi-restraints excluded: chain A residue 2231 SER Chi-restraints excluded: chain A residue 2238 TYR Chi-restraints excluded: chain A residue 2241 ARG Chi-restraints excluded: chain A residue 2242 ILE Chi-restraints excluded: chain A residue 2244 ARG Chi-restraints excluded: chain A residue 2249 SER Chi-restraints excluded: chain A residue 2252 ASP Chi-restraints excluded: chain A residue 2270 SER Chi-restraints excluded: chain A residue 2274 ASP Chi-restraints excluded: chain A residue 2275 VAL Chi-restraints excluded: chain A residue 2280 VAL Chi-restraints excluded: chain A residue 2281 ILE Chi-restraints excluded: chain A residue 2284 ASN Chi-restraints excluded: chain A residue 2290 LEU Chi-restraints excluded: chain A residue 2294 ASP Chi-restraints excluded: chain A residue 2295 LEU Chi-restraints excluded: chain A residue 2296 GLU Chi-restraints excluded: chain A residue 2299 VAL Chi-restraints excluded: chain A residue 2300 SER Chi-restraints excluded: chain A residue 2312 MET Chi-restraints excluded: chain A residue 2314 LEU Chi-restraints excluded: chain A residue 2323 TRP Chi-restraints excluded: chain A residue 2324 ASN Chi-restraints excluded: chain A residue 2333 ASP Chi-restraints excluded: chain A residue 2336 ARG Chi-restraints excluded: chain A residue 2341 VAL Chi-restraints excluded: chain A residue 2346 VAL Chi-restraints excluded: chain A residue 2353 VAL Chi-restraints excluded: chain A residue 2368 LEU Chi-restraints excluded: chain A residue 2416 VAL Chi-restraints excluded: chain A residue 2423 MET Chi-restraints excluded: chain A residue 2430 ILE Chi-restraints excluded: chain A residue 2435 ARG Chi-restraints excluded: chain A residue 2442 LEU Chi-restraints excluded: chain A residue 2454 ARG Chi-restraints excluded: chain A residue 2460 LEU Chi-restraints excluded: chain A residue 2461 VAL Chi-restraints excluded: chain A residue 2479 LEU Chi-restraints excluded: chain A residue 3644 LEU Chi-restraints excluded: chain A residue 3652 MET Chi-restraints excluded: chain A residue 3656 SER Chi-restraints excluded: chain A residue 3661 TRP Chi-restraints excluded: chain A residue 3662 ILE Chi-restraints excluded: chain A residue 3663 LEU Chi-restraints excluded: chain A residue 3669 PHE Chi-restraints excluded: chain A residue 3682 GLU Chi-restraints excluded: chain A residue 3696 ASP Chi-restraints excluded: chain A residue 3711 THR Chi-restraints excluded: chain A residue 3719 ASP Chi-restraints excluded: chain A residue 3732 SER Chi-restraints excluded: chain A residue 3752 SER Chi-restraints excluded: chain A residue 3754 GLU Chi-restraints excluded: chain A residue 3756 LYS Chi-restraints excluded: chain A residue 3764 LEU Chi-restraints excluded: chain A residue 3772 THR Chi-restraints excluded: chain A residue 3779 VAL Chi-restraints excluded: chain A residue 3787 LYS Chi-restraints excluded: chain A residue 3795 SER Chi-restraints excluded: chain A residue 3803 SER Chi-restraints excluded: chain A residue 3822 ASP Chi-restraints excluded: chain A residue 3837 GLN Chi-restraints excluded: chain A residue 3869 GLN Chi-restraints excluded: chain A residue 3873 LYS Chi-restraints excluded: chain A residue 3875 MET Chi-restraints excluded: chain A residue 3904 ARG Chi-restraints excluded: chain A residue 3907 THR Chi-restraints excluded: chain A residue 3916 ILE Chi-restraints excluded: chain A residue 3924 LEU Chi-restraints excluded: chain A residue 3929 SER Chi-restraints excluded: chain A residue 3930 ILE Chi-restraints excluded: chain A residue 3933 PHE Chi-restraints excluded: chain A residue 3938 SER Chi-restraints excluded: chain A residue 3945 GLU Chi-restraints excluded: chain A residue 3952 SER Chi-restraints excluded: chain A residue 3969 ILE Chi-restraints excluded: chain A residue 3970 GLN Chi-restraints excluded: chain A residue 3995 VAL Chi-restraints excluded: chain A residue 4005 GLN Chi-restraints excluded: chain A residue 4008 SER Chi-restraints excluded: chain A residue 4012 LEU Chi-restraints excluded: chain A residue 4015 GLU Chi-restraints excluded: chain A residue 4018 ASP Chi-restraints excluded: chain A residue 4019 LEU 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 4049 VAL Chi-restraints excluded: chain A residue 4051 SER Chi-restraints excluded: chain A residue 4053 SER Chi-restraints excluded: chain A residue 4064 MET Chi-restraints excluded: chain A residue 4067 LYS Chi-restraints excluded: chain A residue 4072 VAL Chi-restraints excluded: chain A residue 4102 GLN Chi-restraints excluded: chain A residue 4107 GLU Chi-restraints excluded: chain A residue 4110 PHE Chi-restraints excluded: chain A residue 4120 ASN Chi-restraints excluded: chain A residue 4123 ILE Chi-restraints excluded: chain A residue 4125 PHE Chi-restraints excluded: chain A residue 4135 PRO Chi-restraints excluded: chain A residue 4139 ILE Chi-restraints excluded: chain A residue 4145 VAL Chi-restraints excluded: chain A residue 4154 VAL Chi-restraints excluded: chain A residue 4159 ARG Chi-restraints excluded: chain A residue 4170 ILE Chi-restraints excluded: chain A residue 4176 PRO Chi-restraints excluded: chain A residue 4178 LEU Chi-restraints excluded: chain A residue 4184 MET Chi-restraints excluded: chain A residue 4196 GLU Chi-restraints excluded: chain A residue 4200 THR Chi-restraints excluded: chain A residue 4202 ARG Chi-restraints excluded: chain A residue 4220 ASP Chi-restraints excluded: chain A residue 4221 VAL Chi-restraints excluded: chain A residue 4232 GLU Chi-restraints excluded: chain A residue 4242 ILE Chi-restraints excluded: chain A residue 4244 GLU Chi-restraints excluded: chain A residue 4251 ILE Chi-restraints excluded: chain A residue 4546 VAL 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 4565 LEU Chi-restraints excluded: chain A residue 4582 VAL Chi-restraints excluded: chain A residue 4634 GLU Chi-restraints excluded: chain A residue 4645 CYS Chi-restraints excluded: chain A residue 4653 VAL Chi-restraints excluded: chain A residue 4667 PRO Chi-restraints excluded: chain A residue 4669 VAL Chi-restraints excluded: chain A residue 4688 ILE Chi-restraints excluded: chain A residue 4689 THR Chi-restraints excluded: chain A residue 4694 ASP Chi-restraints excluded: chain A residue 4695 ASP Chi-restraints excluded: chain A residue 4698 LYS Chi-restraints excluded: chain A residue 4707 ASN Chi-restraints excluded: chain A residue 4722 ARG Chi-restraints excluded: chain A residue 4737 ILE Chi-restraints excluded: chain A residue 4741 LEU Chi-restraints excluded: chain A residue 4743 MET Chi-restraints excluded: chain A residue 4745 LEU Chi-restraints excluded: chain A residue 4766 THR Chi-restraints excluded: chain A residue 4788 SER Chi-restraints excluded: chain A residue 4796 MET Chi-restraints excluded: chain A residue 4816 ILE Chi-restraints excluded: chain A residue 4818 MET Chi-restraints excluded: chain A residue 4825 THR Chi-restraints excluded: chain A residue 4836 GLN Chi-restraints excluded: chain A residue 4838 VAL Chi-restraints excluded: chain A residue 4850 LEU Chi-restraints excluded: chain A residue 4880 MET Chi-restraints excluded: chain A residue 4881 THR Chi-restraints excluded: chain A residue 4901 ILE Chi-restraints excluded: chain A residue 4918 ILE Chi-restraints excluded: chain A residue 4919 THR Chi-restraints excluded: chain A residue 4952 GLU Chi-restraints excluded: chain A residue 4954 MET Chi-restraints excluded: chain A residue 4956 THR Chi-restraints excluded: chain A residue 4961 CYS Chi-restraints excluded: chain A residue 4965 SER Chi-restraints excluded: chain A residue 4966 ASP Chi-restraints excluded: chain A residue 4980 LEU Chi-restraints excluded: chain A residue 4985 LEU Chi-restraints excluded: chain A residue 4992 LEU Chi-restraints excluded: chain A residue 5002 GLU Chi-restraints excluded: chain A residue 5023 PRO Chi-restraints excluded: chain B residue 13 PHE Chi-restraints excluded: chain B residue 24 CYS Chi-restraints excluded: chain B residue 25 SER Chi-restraints excluded: chain B residue 28 VAL 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 47 CYS Chi-restraints excluded: chain B residue 54 ASN Chi-restraints excluded: chain B residue 66 CYS Chi-restraints excluded: chain B residue 75 VAL Chi-restraints excluded: chain B residue 78 LEU Chi-restraints excluded: chain B residue 81 MET Chi-restraints excluded: chain B residue 82 LEU Chi-restraints excluded: chain B residue 99 ARG Chi-restraints excluded: chain B residue 109 LEU Chi-restraints excluded: chain B residue 115 ARG Chi-restraints excluded: chain B residue 119 SER Chi-restraints excluded: chain B residue 120 CYS Chi-restraints excluded: chain B residue 128 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 146 CYS Chi-restraints excluded: chain B residue 149 THR Chi-restraints excluded: chain B residue 156 GLN Chi-restraints excluded: chain B residue 169 LEU Chi-restraints excluded: chain B residue 184 THR Chi-restraints excluded: chain B residue 188 GLU Chi-restraints excluded: chain B residue 189 LEU Chi-restraints excluded: chain B residue 190 GLN Chi-restraints excluded: chain B residue 210 GLU Chi-restraints excluded: chain B residue 214 VAL Chi-restraints excluded: chain B residue 215 THR Chi-restraints excluded: chain B residue 220 LEU Chi-restraints excluded: chain B residue 232 THR Chi-restraints excluded: chain B residue 253 CYS Chi-restraints excluded: chain B residue 255 HIS Chi-restraints excluded: chain B residue 257 ARG Chi-restraints excluded: chain B residue 258 SER Chi-restraints excluded: chain B residue 264 PRO Chi-restraints excluded: chain B residue 266 ARG Chi-restraints excluded: chain B residue 268 SER Chi-restraints excluded: chain B residue 272 SER Chi-restraints excluded: chain B residue 276 TRP Chi-restraints excluded: chain B residue 281 ARG Chi-restraints excluded: chain B residue 290 TYR Chi-restraints excluded: chain B residue 291 LEU Chi-restraints excluded: chain B residue 294 THR Chi-restraints excluded: chain B residue 303 ASP Chi-restraints excluded: chain B residue 305 CYS Chi-restraints excluded: chain B residue 309 THR Chi-restraints excluded: chain B residue 310 LYS Chi-restraints excluded: chain B residue 312 THR Chi-restraints excluded: chain B residue 315 CYS Chi-restraints excluded: chain B residue 317 ARG Chi-restraints excluded: chain B residue 319 SER Chi-restraints excluded: chain B residue 320 LYS Chi-restraints excluded: chain B residue 321 GLU Chi-restraints excluded: chain B residue 339 ILE Chi-restraints excluded: chain B residue 346 CYS Chi-restraints excluded: chain B residue 348 VAL Chi-restraints excluded: chain B residue 353 SER Chi-restraints excluded: chain B residue 358 THR Chi-restraints excluded: chain B residue 379 HIS Chi-restraints excluded: chain B residue 384 MET Chi-restraints excluded: chain B residue 386 ASP Chi-restraints excluded: chain B residue 389 PHE Chi-restraints excluded: chain B residue 392 ARG Chi-restraints excluded: chain B residue 396 GLU Chi-restraints excluded: chain B residue 397 GLU Chi-restraints excluded: chain B residue 404 ILE Chi-restraints excluded: chain B residue 405 HIS Chi-restraints excluded: chain B residue 413 GLN Chi-restraints excluded: chain B residue 420 SER Chi-restraints excluded: chain B residue 441 VAL Chi-restraints excluded: chain B residue 442 ILE Chi-restraints excluded: chain B residue 447 ASP Chi-restraints excluded: chain B residue 448 LEU Chi-restraints excluded: chain B residue 456 SER Chi-restraints excluded: chain B residue 473 ASN Chi-restraints excluded: chain B residue 484 LEU Chi-restraints excluded: chain B residue 487 VAL Chi-restraints excluded: chain B residue 494 LEU Chi-restraints excluded: chain B residue 495 ASN Chi-restraints excluded: chain B residue 496 VAL Chi-restraints excluded: chain B residue 503 PHE Chi-restraints excluded: chain B residue 510 GLU Chi-restraints excluded: chain B residue 528 SER Chi-restraints excluded: chain B residue 529 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 540 PHE Chi-restraints excluded: chain B residue 545 ASP Chi-restraints excluded: chain B residue 549 SER Chi-restraints excluded: chain B residue 551 LEU Chi-restraints excluded: chain B residue 560 ILE Chi-restraints excluded: chain B residue 569 ILE Chi-restraints excluded: chain B residue 575 LEU Chi-restraints excluded: chain B residue 577 ILE Chi-restraints excluded: chain B residue 578 ILE Chi-restraints excluded: chain B residue 580 GLU Chi-restraints excluded: chain B residue 612 VAL Chi-restraints excluded: chain B residue 616 SER Chi-restraints excluded: chain B residue 621 ILE Chi-restraints excluded: chain B residue 625 LEU Chi-restraints excluded: chain B residue 637 LEU Chi-restraints excluded: chain B residue 645 ARG Chi-restraints excluded: chain B residue 659 TYR Chi-restraints excluded: chain B residue 663 TYR Chi-restraints excluded: chain B residue 667 MET Chi-restraints excluded: chain B residue 672 VAL Chi-restraints excluded: chain B residue 675 LEU 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 705 ASN Chi-restraints excluded: chain B residue 707 VAL Chi-restraints excluded: chain B residue 709 ASP Chi-restraints excluded: chain B residue 710 ASP Chi-restraints excluded: chain B residue 714 TYR Chi-restraints excluded: chain B residue 723 THR Chi-restraints excluded: chain B residue 725 HIS Chi-restraints excluded: chain B residue 726 VAL Chi-restraints excluded: chain B residue 730 VAL 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 756 SER Chi-restraints excluded: chain B residue 760 ASN Chi-restraints excluded: chain B residue 768 PHE Chi-restraints excluded: chain B residue 773 LEU Chi-restraints excluded: chain B residue 781 VAL Chi-restraints excluded: chain B residue 800 PHE Chi-restraints excluded: chain B residue 801 LYS Chi-restraints excluded: chain B residue 821 LEU Chi-restraints excluded: chain B residue 822 ARG Chi-restraints excluded: chain B residue 823 LEU Chi-restraints excluded: chain B residue 826 ILE Chi-restraints excluded: chain B residue 831 ARG Chi-restraints excluded: chain B residue 840 VAL Chi-restraints excluded: chain B residue 866 HIS Chi-restraints excluded: chain B residue 888 GLU Chi-restraints excluded: chain B residue 925 SER Chi-restraints excluded: chain B residue 933 LEU Chi-restraints excluded: chain B residue 961 MET Chi-restraints excluded: chain B residue 970 LEU Chi-restraints excluded: chain B residue 974 HIS Chi-restraints excluded: chain B residue 977 LEU Chi-restraints excluded: chain B residue 993 HIS Chi-restraints excluded: chain B residue 1043 VAL Chi-restraints excluded: chain B residue 1072 VAL Chi-restraints excluded: chain B residue 1074 ILE Chi-restraints excluded: chain B residue 1093 GLU Chi-restraints excluded: chain B residue 1095 VAL Chi-restraints excluded: chain B residue 1113 VAL Chi-restraints excluded: chain B residue 1123 VAL Chi-restraints excluded: chain B residue 1127 HIS Chi-restraints excluded: chain B residue 1131 ARG Chi-restraints excluded: chain B residue 1137 GLU Chi-restraints excluded: chain B residue 1143 TRP Chi-restraints excluded: chain B residue 1145 SER Chi-restraints excluded: chain B residue 1147 ASP Chi-restraints excluded: chain B residue 1151 CYS Chi-restraints excluded: chain B residue 1152 MET Chi-restraints excluded: chain B residue 1153 ILE Chi-restraints excluded: chain B residue 1154 ASP Chi-restraints excluded: chain B residue 1155 LEU Chi-restraints excluded: chain B residue 1163 THR Chi-restraints excluded: chain B residue 1164 LEU Chi-restraints excluded: chain B residue 1168 VAL Chi-restraints excluded: chain B residue 1169 LEU Chi-restraints excluded: chain B residue 1171 SER Chi-restraints excluded: chain B residue 1173 SER Chi-restraints excluded: chain B residue 1182 ILE Chi-restraints excluded: chain B residue 1190 PRO Chi-restraints excluded: chain B residue 1192 CYS Chi-restraints excluded: chain B residue 1198 GLN Chi-restraints excluded: chain B residue 1202 LEU Chi-restraints excluded: chain B residue 1204 LEU Chi-restraints excluded: chain B residue 1208 VAL Chi-restraints excluded: chain B residue 1219 LEU Chi-restraints excluded: chain B residue 1229 ASN Chi-restraints excluded: chain B residue 1234 VAL Chi-restraints excluded: chain B residue 1241 SER 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 1269 CYS Chi-restraints excluded: chain B residue 1271 ARG Chi-restraints excluded: chain B residue 1282 SER Chi-restraints excluded: chain B residue 1287 LEU Chi-restraints excluded: chain B residue 1432 THR Chi-restraints excluded: chain B residue 1439 VAL Chi-restraints excluded: chain B residue 1460 HIS Chi-restraints excluded: chain B residue 1466 LEU Chi-restraints excluded: chain B residue 1467 SER Chi-restraints excluded: chain B residue 1469 VAL Chi-restraints excluded: chain B residue 1472 VAL Chi-restraints excluded: chain B residue 1486 SER Chi-restraints excluded: chain B residue 1489 CYS Chi-restraints excluded: chain B residue 1576 SER Chi-restraints excluded: chain B residue 1580 PHE Chi-restraints excluded: chain B residue 1581 LEU Chi-restraints excluded: chain B residue 1583 GLU Chi-restraints excluded: chain B residue 1585 LYS 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 1603 VAL Chi-restraints excluded: chain B residue 1607 ARG Chi-restraints excluded: chain B residue 1628 VAL Chi-restraints excluded: chain B residue 1632 ASP Chi-restraints excluded: chain B residue 1634 LEU Chi-restraints excluded: chain B residue 1636 MET Chi-restraints excluded: chain B residue 1642 PRO Chi-restraints excluded: chain B residue 1647 CYS Chi-restraints excluded: chain B residue 1657 LEU Chi-restraints excluded: chain B residue 1666 THR Chi-restraints excluded: chain B residue 1668 ARG Chi-restraints excluded: chain B residue 1673 VAL Chi-restraints excluded: chain B residue 1679 ASN Chi-restraints excluded: chain B residue 1685 LEU Chi-restraints excluded: chain B residue 1687 SER Chi-restraints excluded: chain B residue 1689 VAL Chi-restraints excluded: chain B residue 1698 LEU Chi-restraints excluded: chain B residue 1699 GLU Chi-restraints excluded: chain B residue 1700 ASP Chi-restraints excluded: chain B residue 1704 PRO Chi-restraints excluded: chain B residue 1706 PRO Chi-restraints excluded: chain B residue 1717 SER Chi-restraints excluded: chain B residue 1733 GLU Chi-restraints excluded: chain B residue 1736 VAL Chi-restraints excluded: chain B residue 1738 LEU Chi-restraints excluded: chain B residue 1739 THR Chi-restraints excluded: chain B residue 1759 ARG Chi-restraints excluded: chain B residue 1760 HIS 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 1802 ILE Chi-restraints excluded: chain B residue 1812 LEU Chi-restraints excluded: chain B residue 1815 LEU Chi-restraints excluded: chain B residue 1830 VAL Chi-restraints excluded: chain B residue 1834 VAL Chi-restraints excluded: chain B residue 1837 GLN Chi-restraints excluded: chain B residue 1849 LEU Chi-restraints excluded: chain B residue 1857 GLU Chi-restraints excluded: chain B residue 1863 LEU Chi-restraints excluded: chain B residue 1870 VAL Chi-restraints excluded: chain B residue 1873 GLU Chi-restraints excluded: chain B residue 1929 MET Chi-restraints excluded: chain B residue 1934 SER Chi-restraints excluded: chain B residue 1955 VAL Chi-restraints excluded: chain B residue 1961 PHE Chi-restraints excluded: chain B residue 1966 VAL Chi-restraints excluded: chain B residue 1969 LEU Chi-restraints excluded: chain B residue 1981 MET Chi-restraints excluded: chain B residue 1993 ARG Chi-restraints excluded: chain B residue 1995 THR Chi-restraints excluded: chain B residue 1996 ARG Chi-restraints excluded: chain B residue 2011 HIS Chi-restraints excluded: chain B residue 2014 ASP Chi-restraints excluded: chain B residue 2020 ASP Chi-restraints excluded: chain B residue 2027 ILE Chi-restraints excluded: chain B residue 2030 ASP Chi-restraints excluded: chain B residue 2032 GLN Chi-restraints excluded: chain B residue 2037 ASP Chi-restraints excluded: chain B residue 2039 LEU Chi-restraints excluded: chain B residue 2090 LYS Chi-restraints excluded: chain B residue 2094 LEU Chi-restraints excluded: chain B residue 2095 GLN Chi-restraints excluded: chain B residue 2097 LEU Chi-restraints excluded: chain B residue 2100 HIS Chi-restraints excluded: chain B residue 2111 VAL Chi-restraints excluded: chain B residue 2122 SER Chi-restraints excluded: chain B residue 2136 ARG Chi-restraints excluded: chain B residue 2143 THR Chi-restraints excluded: chain B residue 2148 SER Chi-restraints excluded: chain B residue 2156 LEU Chi-restraints excluded: chain B residue 2166 LEU Chi-restraints excluded: chain B residue 2167 ILE Chi-restraints excluded: chain B residue 2169 GLN Chi-restraints excluded: chain B residue 2170 MET Chi-restraints excluded: chain B residue 2175 GLU Chi-restraints excluded: chain B residue 2186 MET Chi-restraints excluded: chain B residue 2187 ASN Chi-restraints excluded: chain B residue 2199 ARG Chi-restraints excluded: chain B residue 2209 GLU Chi-restraints excluded: chain B residue 2221 LYS Chi-restraints excluded: chain B residue 2227 LYS Chi-restraints excluded: chain B residue 2228 MET Chi-restraints excluded: chain B residue 2229 VAL Chi-restraints excluded: chain B residue 2230 THR Chi-restraints excluded: chain B residue 2231 SER Chi-restraints excluded: chain B residue 2238 TYR Chi-restraints excluded: chain B residue 2241 ARG Chi-restraints excluded: chain B residue 2242 ILE Chi-restraints excluded: chain B residue 2244 ARG Chi-restraints excluded: chain B residue 2270 SER Chi-restraints excluded: chain B residue 2274 ASP Chi-restraints excluded: chain B residue 2275 VAL Chi-restraints excluded: chain B residue 2280 VAL Chi-restraints excluded: chain B residue 2281 ILE Chi-restraints excluded: chain B residue 2290 LEU Chi-restraints excluded: chain B residue 2294 ASP Chi-restraints excluded: chain B residue 2295 LEU Chi-restraints excluded: chain B residue 2296 GLU Chi-restraints excluded: chain B residue 2299 VAL Chi-restraints excluded: chain B residue 2300 SER Chi-restraints excluded: chain B residue 2312 MET Chi-restraints excluded: chain B residue 2323 TRP Chi-restraints excluded: chain B residue 2324 ASN Chi-restraints excluded: chain B residue 2333 ASP Chi-restraints excluded: chain B residue 2336 ARG Chi-restraints excluded: chain B residue 2341 VAL Chi-restraints excluded: chain B residue 2353 VAL Chi-restraints excluded: chain B residue 2368 LEU Chi-restraints excluded: chain B residue 2377 LEU Chi-restraints excluded: chain B residue 2416 VAL Chi-restraints excluded: chain B residue 2423 MET Chi-restraints excluded: chain B residue 2430 ILE Chi-restraints excluded: chain B residue 2435 ARG Chi-restraints excluded: chain B residue 2442 LEU Chi-restraints excluded: chain B residue 2454 ARG Chi-restraints excluded: chain B residue 2460 LEU Chi-restraints excluded: chain B residue 2461 VAL Chi-restraints excluded: chain B residue 2474 LEU Chi-restraints excluded: chain B residue 2479 LEU Chi-restraints excluded: chain B residue 3646 THR Chi-restraints excluded: chain B residue 3652 MET Chi-restraints excluded: chain B residue 3656 SER Chi-restraints excluded: chain B residue 3662 ILE Chi-restraints excluded: chain B residue 3663 LEU Chi-restraints excluded: chain B residue 3667 HIS Chi-restraints excluded: chain B residue 3670 GLU Chi-restraints excluded: chain B residue 3696 ASP Chi-restraints excluded: chain B residue 3707 ARG Chi-restraints excluded: chain B residue 3711 THR Chi-restraints excluded: chain B residue 3719 ASP Chi-restraints excluded: chain B residue 3732 SER Chi-restraints excluded: chain B residue 3752 SER Chi-restraints excluded: chain B residue 3754 GLU Chi-restraints excluded: chain B residue 3764 LEU Chi-restraints excluded: chain B residue 3772 THR Chi-restraints excluded: chain B residue 3779 VAL Chi-restraints excluded: chain B residue 3795 SER Chi-restraints excluded: chain B residue 3803 SER Chi-restraints excluded: chain B residue 3822 ASP Chi-restraints excluded: chain B residue 3837 GLN Chi-restraints excluded: chain B residue 3869 GLN Chi-restraints excluded: chain B residue 3872 GLU Chi-restraints excluded: chain B residue 3904 ARG Chi-restraints excluded: chain B residue 3907 THR Chi-restraints excluded: chain B residue 3916 ILE Chi-restraints excluded: chain B residue 3924 LEU Chi-restraints excluded: chain B residue 3929 SER Chi-restraints excluded: chain B residue 3930 ILE Chi-restraints excluded: chain B residue 3933 PHE Chi-restraints excluded: chain B residue 3938 SER Chi-restraints excluded: chain B residue 3945 GLU Chi-restraints excluded: chain B residue 3952 SER Chi-restraints excluded: chain B residue 3969 ILE Chi-restraints excluded: chain B residue 3970 GLN Chi-restraints excluded: chain B residue 3995 VAL Chi-restraints excluded: chain B residue 4005 GLN Chi-restraints excluded: chain B residue 4008 SER Chi-restraints excluded: chain B residue 4012 LEU Chi-restraints excluded: chain B residue 4014 LYS Chi-restraints excluded: chain B residue 4018 ASP 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 4049 VAL Chi-restraints excluded: chain B residue 4051 SER Chi-restraints excluded: chain B residue 4053 SER Chi-restraints excluded: chain B residue 4064 MET Chi-restraints excluded: chain B residue 4067 LYS Chi-restraints excluded: chain B residue 4072 VAL Chi-restraints excluded: chain B residue 4075 GLU Chi-restraints excluded: chain B residue 4082 THR Chi-restraints excluded: chain B residue 4089 SER Chi-restraints excluded: chain B residue 4098 ASP Chi-restraints excluded: chain B residue 4104 THR Chi-restraints excluded: chain B residue 4107 GLU Chi-restraints excluded: chain B residue 4110 PHE Chi-restraints excluded: chain B residue 4112 LEU Chi-restraints excluded: chain B residue 4120 ASN Chi-restraints excluded: chain B residue 4123 ILE Chi-restraints excluded: chain B residue 4125 PHE Chi-restraints excluded: chain B residue 4135 PRO Chi-restraints excluded: chain B residue 4139 ILE Chi-restraints excluded: chain B residue 4145 VAL Chi-restraints excluded: chain B residue 4154 VAL Chi-restraints excluded: chain B residue 4159 ARG Chi-restraints excluded: chain B residue 4170 ILE Chi-restraints excluded: chain B residue 4178 LEU Chi-restraints excluded: chain B residue 4196 GLU Chi-restraints excluded: chain B residue 4200 THR Chi-restraints excluded: chain B residue 4202 ARG Chi-restraints excluded: chain B residue 4220 ASP Chi-restraints excluded: chain B residue 4221 VAL Chi-restraints excluded: chain B residue 4232 GLU Chi-restraints excluded: chain B residue 4242 ILE Chi-restraints excluded: chain B residue 4244 GLU Chi-restraints excluded: chain B residue 4251 ILE Chi-restraints excluded: chain B residue 4546 VAL 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 4582 VAL Chi-restraints excluded: chain B residue 4634 GLU Chi-restraints excluded: chain B residue 4645 CYS Chi-restraints excluded: chain B residue 4653 VAL Chi-restraints excluded: chain B residue 4667 PRO Chi-restraints excluded: chain B residue 4669 VAL Chi-restraints excluded: chain B residue 4688 ILE Chi-restraints excluded: chain B residue 4689 THR Chi-restraints excluded: chain B residue 4696 ASP Chi-restraints excluded: chain B residue 4697 VAL Chi-restraints excluded: chain B residue 4698 LYS Chi-restraints excluded: chain B residue 4707 ASN Chi-restraints excluded: chain B residue 4722 ARG Chi-restraints excluded: chain B residue 4737 ILE Chi-restraints excluded: chain B residue 4741 LEU Chi-restraints excluded: chain B residue 4743 MET Chi-restraints excluded: chain B residue 4745 LEU Chi-restraints excluded: chain B residue 4766 THR Chi-restraints excluded: chain B residue 4771 ILE Chi-restraints excluded: chain B residue 4788 SER Chi-restraints excluded: chain B residue 4796 MET Chi-restraints excluded: chain B residue 4816 ILE Chi-restraints excluded: chain B residue 4818 MET Chi-restraints excluded: chain B residue 4825 THR Chi-restraints excluded: chain B residue 4836 GLN Chi-restraints excluded: chain B residue 4838 VAL Chi-restraints excluded: chain B residue 4850 LEU Chi-restraints excluded: chain B residue 4880 MET Chi-restraints excluded: chain B residue 4881 THR Chi-restraints excluded: chain B residue 4901 ILE Chi-restraints excluded: chain B residue 4918 ILE Chi-restraints excluded: chain B residue 4919 THR Chi-restraints excluded: chain B residue 4948 GLU Chi-restraints excluded: chain B residue 4952 GLU Chi-restraints excluded: chain B residue 4954 MET Chi-restraints excluded: chain B residue 4956 THR Chi-restraints excluded: chain B residue 4961 CYS Chi-restraints excluded: chain B residue 4965 SER Chi-restraints excluded: chain B residue 4966 ASP Chi-restraints excluded: chain B residue 4980 LEU Chi-restraints excluded: chain B residue 4985 LEU Chi-restraints excluded: chain B residue 4992 LEU Chi-restraints excluded: chain B residue 5002 GLU Chi-restraints excluded: chain B residue 5023 PRO Chi-restraints excluded: chain C residue 13 PHE Chi-restraints excluded: chain C residue 24 CYS Chi-restraints excluded: chain C residue 25 SER Chi-restraints excluded: chain C residue 29 LEU Chi-restraints excluded: chain C residue 35 LEU Chi-restraints excluded: chain C residue 47 CYS Chi-restraints excluded: chain C residue 54 ASN Chi-restraints excluded: chain C residue 66 CYS Chi-restraints excluded: chain C residue 75 VAL Chi-restraints excluded: chain C residue 78 LEU Chi-restraints excluded: chain C residue 82 LEU Chi-restraints excluded: chain C residue 99 ARG Chi-restraints excluded: chain C residue 109 LEU Chi-restraints excluded: chain C residue 115 ARG Chi-restraints excluded: chain C residue 119 SER Chi-restraints excluded: chain C residue 120 CYS Chi-restraints excluded: chain C residue 128 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 146 CYS Chi-restraints excluded: chain C residue 149 THR Chi-restraints excluded: chain C residue 156 GLN Chi-restraints excluded: chain C residue 169 LEU Chi-restraints excluded: chain C residue 184 THR Chi-restraints excluded: chain C residue 188 GLU Chi-restraints excluded: chain C residue 190 GLN Chi-restraints excluded: chain C residue 194 SER Chi-restraints excluded: chain C residue 197 GLN Chi-restraints excluded: chain C residue 210 GLU Chi-restraints excluded: chain C residue 214 VAL Chi-restraints excluded: chain C residue 215 THR Chi-restraints excluded: chain C residue 220 LEU Chi-restraints excluded: chain C residue 232 THR Chi-restraints excluded: chain C residue 253 CYS Chi-restraints excluded: chain C residue 255 HIS Chi-restraints excluded: chain C residue 258 SER Chi-restraints excluded: chain C residue 264 PRO Chi-restraints excluded: chain C residue 265 LEU Chi-restraints excluded: chain C residue 266 ARG Chi-restraints excluded: chain C residue 268 SER Chi-restraints excluded: chain C residue 272 SER Chi-restraints excluded: chain C residue 281 ARG Chi-restraints excluded: chain C residue 286 THR Chi-restraints excluded: chain C residue 290 TYR Chi-restraints excluded: chain C residue 291 LEU Chi-restraints excluded: chain C residue 294 THR Chi-restraints excluded: chain C residue 303 ASP Chi-restraints excluded: chain C residue 305 CYS Chi-restraints excluded: chain C residue 309 THR Chi-restraints excluded: chain C residue 312 THR Chi-restraints excluded: chain C residue 315 CYS Chi-restraints excluded: chain C residue 317 ARG Chi-restraints excluded: chain C residue 318 VAL Chi-restraints excluded: chain C residue 319 SER Chi-restraints excluded: chain C residue 320 LYS Chi-restraints excluded: chain C residue 321 GLU Chi-restraints excluded: chain C residue 322 LYS Chi-restraints excluded: chain C residue 339 ILE Chi-restraints excluded: chain C residue 346 CYS Chi-restraints excluded: chain C residue 348 VAL Chi-restraints excluded: chain C residue 353 SER Chi-restraints excluded: chain C residue 358 THR Chi-restraints excluded: chain C residue 359 TYR Chi-restraints excluded: chain C residue 379 HIS Chi-restraints excluded: chain C residue 384 MET Chi-restraints excluded: chain C residue 386 ASP Chi-restraints excluded: chain C residue 389 PHE Chi-restraints excluded: chain C residue 392 ARG Chi-restraints excluded: chain C residue 396 GLU Chi-restraints excluded: chain C residue 397 GLU Chi-restraints excluded: chain C residue 404 ILE Chi-restraints excluded: chain C residue 405 HIS Chi-restraints excluded: chain C residue 413 GLN Chi-restraints excluded: chain C residue 420 SER Chi-restraints excluded: chain C residue 441 VAL Chi-restraints excluded: chain C residue 442 ILE Chi-restraints excluded: chain C residue 447 ASP Chi-restraints excluded: chain C residue 448 LEU Chi-restraints excluded: chain C residue 456 SER Chi-restraints excluded: chain C residue 470 SER Chi-restraints excluded: chain C residue 473 ASN Chi-restraints excluded: chain C residue 477 LEU Chi-restraints excluded: chain C residue 481 GLU Chi-restraints excluded: chain C residue 487 VAL Chi-restraints excluded: chain C residue 494 LEU Chi-restraints excluded: chain C residue 495 ASN Chi-restraints excluded: chain C residue 503 PHE Chi-restraints excluded: chain C residue 528 SER 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 540 PHE Chi-restraints excluded: chain C residue 545 ASP Chi-restraints excluded: chain C residue 549 SER Chi-restraints excluded: chain C residue 551 LEU Chi-restraints excluded: chain C residue 552 ASP Chi-restraints excluded: chain C residue 560 ILE Chi-restraints excluded: chain C residue 569 ILE Chi-restraints excluded: chain C residue 575 LEU Chi-restraints excluded: chain C residue 577 ILE Chi-restraints excluded: chain C residue 578 ILE Chi-restraints excluded: chain C residue 580 GLU Chi-restraints excluded: chain C residue 590 LEU Chi-restraints excluded: chain C residue 612 VAL Chi-restraints excluded: chain C residue 621 ILE Chi-restraints excluded: chain C residue 625 LEU Chi-restraints excluded: chain C residue 637 LEU Chi-restraints excluded: chain C residue 652 ARG Chi-restraints excluded: chain C residue 659 TYR Chi-restraints excluded: chain C residue 663 TYR Chi-restraints excluded: chain C residue 667 MET Chi-restraints excluded: chain C residue 672 VAL Chi-restraints excluded: chain C residue 675 LEU 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 705 ASN Chi-restraints excluded: chain C residue 707 VAL Chi-restraints excluded: chain C residue 709 ASP Chi-restraints excluded: chain C residue 710 ASP Chi-restraints excluded: chain C residue 723 THR Chi-restraints excluded: chain C residue 730 VAL 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 756 SER Chi-restraints excluded: chain C residue 760 ASN Chi-restraints excluded: chain C residue 773 LEU Chi-restraints excluded: chain C residue 778 PHE Chi-restraints excluded: chain C residue 781 VAL Chi-restraints excluded: chain C residue 800 PHE Chi-restraints excluded: chain C residue 801 LYS Chi-restraints excluded: chain C residue 821 LEU Chi-restraints excluded: chain C residue 822 ARG Chi-restraints excluded: chain C residue 826 ILE Chi-restraints excluded: chain C residue 831 ARG Chi-restraints excluded: chain C residue 840 VAL Chi-restraints excluded: chain C residue 925 SER Chi-restraints excluded: chain C residue 933 LEU Chi-restraints excluded: chain C residue 961 MET Chi-restraints excluded: chain C residue 970 LEU Chi-restraints excluded: chain C residue 1043 VAL Chi-restraints excluded: chain C residue 1072 VAL Chi-restraints excluded: chain C residue 1074 ILE Chi-restraints excluded: chain C residue 1093 GLU Chi-restraints excluded: chain C residue 1095 VAL Chi-restraints excluded: chain C residue 1113 VAL Chi-restraints excluded: chain C residue 1114 GLU Chi-restraints excluded: chain C residue 1123 VAL Chi-restraints excluded: chain C residue 1127 HIS Chi-restraints excluded: chain C residue 1131 ARG Chi-restraints excluded: chain C residue 1137 GLU Chi-restraints excluded: chain C residue 1143 TRP Chi-restraints excluded: chain C residue 1145 SER Chi-restraints excluded: chain C residue 1147 ASP Chi-restraints excluded: chain C residue 1151 CYS Chi-restraints excluded: chain C residue 1152 MET Chi-restraints excluded: chain C residue 1153 ILE Chi-restraints excluded: chain C residue 1154 ASP Chi-restraints excluded: chain C residue 1155 LEU Chi-restraints excluded: chain C residue 1163 THR Chi-restraints excluded: chain C residue 1164 LEU Chi-restraints excluded: chain C residue 1168 VAL Chi-restraints excluded: chain C residue 1173 SER Chi-restraints excluded: chain C residue 1182 ILE Chi-restraints excluded: chain C residue 1190 PRO Chi-restraints excluded: chain C residue 1192 CYS Chi-restraints excluded: chain C residue 1202 LEU Chi-restraints excluded: chain C residue 1204 LEU Chi-restraints excluded: chain C residue 1208 VAL Chi-restraints excluded: chain C residue 1219 LEU Chi-restraints excluded: chain C residue 1221 GLU Chi-restraints excluded: chain C residue 1229 ASN Chi-restraints excluded: chain C residue 1234 VAL Chi-restraints excluded: chain C residue 1238 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 1269 CYS Chi-restraints excluded: chain C residue 1271 ARG Chi-restraints excluded: chain C residue 1272 LEU Chi-restraints excluded: chain C residue 1282 SER Chi-restraints excluded: chain C residue 1283 LEU Chi-restraints excluded: chain C residue 1287 LEU Chi-restraints excluded: chain C residue 1432 THR Chi-restraints excluded: chain C residue 1437 VAL Chi-restraints excluded: chain C residue 1444 GLU Chi-restraints excluded: chain C residue 1453 VAL Chi-restraints excluded: chain C residue 1457 TYR Chi-restraints excluded: chain C residue 1460 HIS Chi-restraints excluded: chain C residue 1466 LEU Chi-restraints excluded: chain C residue 1467 SER Chi-restraints excluded: chain C residue 1469 VAL Chi-restraints excluded: chain C residue 1472 VAL Chi-restraints excluded: chain C residue 1486 SER Chi-restraints excluded: chain C residue 1576 SER Chi-restraints excluded: chain C residue 1580 PHE Chi-restraints excluded: chain C residue 1581 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 1603 VAL Chi-restraints excluded: chain C residue 1607 ARG Chi-restraints excluded: chain C residue 1632 ASP Chi-restraints excluded: chain C residue 1634 LEU Chi-restraints excluded: chain C residue 1642 PRO Chi-restraints excluded: chain C residue 1647 CYS Chi-restraints excluded: chain C residue 1657 LEU Chi-restraints excluded: chain C residue 1666 THR Chi-restraints excluded: chain C residue 1668 ARG 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 1685 LEU Chi-restraints excluded: chain C residue 1687 SER Chi-restraints excluded: chain C residue 1689 VAL Chi-restraints excluded: chain C residue 1698 LEU Chi-restraints excluded: chain C residue 1699 GLU Chi-restraints excluded: chain C residue 1700 ASP Chi-restraints excluded: chain C residue 1704 PRO Chi-restraints excluded: chain C residue 1706 PRO Chi-restraints excluded: chain C residue 1717 SER Chi-restraints excluded: chain C residue 1733 GLU Chi-restraints excluded: chain C residue 1736 VAL Chi-restraints excluded: chain C residue 1738 LEU Chi-restraints excluded: chain C residue 1739 THR Chi-restraints excluded: chain C residue 1760 HIS Chi-restraints excluded: chain C residue 1770 SER Chi-restraints excluded: chain C residue 1771 LEU Chi-restraints excluded: chain C residue 1772 ARG Chi-restraints excluded: chain C residue 1778 SER Chi-restraints excluded: chain C residue 1802 ILE Chi-restraints excluded: chain C residue 1812 LEU Chi-restraints excluded: chain C residue 1815 LEU Chi-restraints excluded: chain C residue 1830 VAL Chi-restraints excluded: chain C residue 1834 VAL Chi-restraints excluded: chain C residue 1837 GLN Chi-restraints excluded: chain C residue 1849 LEU Chi-restraints excluded: chain C residue 1857 GLU Chi-restraints excluded: chain C residue 1873 GLU Chi-restraints excluded: chain C residue 1929 MET Chi-restraints excluded: chain C residue 1930 LYS Chi-restraints excluded: chain C residue 1934 SER Chi-restraints excluded: chain C residue 1955 VAL Chi-restraints excluded: chain C residue 1957 SER Chi-restraints excluded: chain C residue 1961 PHE Chi-restraints excluded: chain C residue 1966 VAL Chi-restraints excluded: chain C residue 1969 LEU Chi-restraints excluded: chain C residue 1993 ARG Chi-restraints excluded: chain C residue 1995 THR Chi-restraints excluded: chain C residue 2011 HIS Chi-restraints excluded: chain C residue 2014 ASP Chi-restraints excluded: chain C residue 2020 ASP Chi-restraints excluded: chain C residue 2030 ASP Chi-restraints excluded: chain C residue 2032 GLN Chi-restraints excluded: chain C residue 2037 ASP Chi-restraints excluded: chain C residue 2039 LEU Chi-restraints excluded: chain C residue 2093 SER Chi-restraints excluded: chain C residue 2094 LEU Chi-restraints excluded: chain C residue 2095 GLN Chi-restraints excluded: chain C residue 2097 LEU Chi-restraints excluded: chain C residue 2098 VAL Chi-restraints excluded: chain C residue 2111 VAL Chi-restraints excluded: chain C residue 2122 SER Chi-restraints excluded: chain C residue 2136 ARG Chi-restraints excluded: chain C residue 2143 THR Chi-restraints excluded: chain C residue 2148 SER Chi-restraints excluded: chain C residue 2156 LEU Chi-restraints excluded: chain C residue 2166 LEU Chi-restraints excluded: chain C residue 2167 ILE Chi-restraints excluded: chain C residue 2169 GLN Chi-restraints excluded: chain C residue 2170 MET Chi-restraints excluded: chain C residue 2175 GLU Chi-restraints excluded: chain C residue 2186 MET Chi-restraints excluded: chain C residue 2187 ASN Chi-restraints excluded: chain C residue 2199 ARG Chi-restraints excluded: chain C residue 2221 LYS Chi-restraints excluded: chain C residue 2227 LYS Chi-restraints excluded: chain C residue 2228 MET Chi-restraints excluded: chain C residue 2229 VAL Chi-restraints excluded: chain C residue 2230 THR Chi-restraints excluded: chain C residue 2231 SER Chi-restraints excluded: chain C residue 2238 TYR Chi-restraints excluded: chain C residue 2241 ARG Chi-restraints excluded: chain C residue 2242 ILE Chi-restraints excluded: chain C residue 2244 ARG Chi-restraints excluded: chain C residue 2270 SER Chi-restraints excluded: chain C residue 2274 ASP Chi-restraints excluded: chain C residue 2275 VAL Chi-restraints excluded: chain C residue 2280 VAL Chi-restraints excluded: chain C residue 2281 ILE Chi-restraints excluded: chain C residue 2290 LEU Chi-restraints excluded: chain C residue 2294 ASP Chi-restraints excluded: chain C residue 2295 LEU Chi-restraints excluded: chain C residue 2296 GLU Chi-restraints excluded: chain C residue 2299 VAL Chi-restraints excluded: chain C residue 2300 SER Chi-restraints excluded: chain C residue 2312 MET Chi-restraints excluded: chain C residue 2323 TRP Chi-restraints excluded: chain C residue 2324 ASN Chi-restraints excluded: chain C residue 2333 ASP Chi-restraints excluded: chain C residue 2336 ARG Chi-restraints excluded: chain C residue 2341 VAL Chi-restraints excluded: chain C residue 2352 VAL Chi-restraints excluded: chain C residue 2353 VAL Chi-restraints excluded: chain C residue 2368 LEU Chi-restraints excluded: chain C residue 2377 LEU Chi-restraints excluded: chain C residue 2416 VAL Chi-restraints excluded: chain C residue 2423 MET Chi-restraints excluded: chain C residue 2430 ILE Chi-restraints excluded: chain C residue 2435 ARG Chi-restraints excluded: chain C residue 2442 LEU Chi-restraints excluded: chain C residue 2454 ARG Chi-restraints excluded: chain C residue 2459 SER Chi-restraints excluded: chain C residue 2460 LEU Chi-restraints excluded: chain C residue 2461 VAL Chi-restraints excluded: chain C residue 2474 LEU Chi-restraints excluded: chain C residue 2479 LEU Chi-restraints excluded: chain C residue 3646 THR Chi-restraints excluded: chain C residue 3652 MET Chi-restraints excluded: chain C residue 3656 SER Chi-restraints excluded: chain C residue 3661 TRP Chi-restraints excluded: chain C residue 3662 ILE Chi-restraints excluded: chain C residue 3669 PHE Chi-restraints excluded: chain C residue 3696 ASP Chi-restraints excluded: chain C residue 3707 ARG Chi-restraints excluded: chain C residue 3711 THR Chi-restraints excluded: chain C residue 3719 ASP Chi-restraints excluded: chain C residue 3732 SER Chi-restraints excluded: chain C residue 3752 SER Chi-restraints excluded: chain C residue 3754 GLU Chi-restraints excluded: chain C residue 3764 LEU Chi-restraints excluded: chain C residue 3772 THR Chi-restraints excluded: chain C residue 3779 VAL Chi-restraints excluded: chain C residue 3795 SER Chi-restraints excluded: chain C residue 3803 SER Chi-restraints excluded: chain C residue 3822 ASP Chi-restraints excluded: chain C residue 3837 GLN Chi-restraints excluded: chain C residue 3873 LYS Chi-restraints excluded: chain C residue 3904 ARG Chi-restraints excluded: chain C residue 3907 THR Chi-restraints excluded: chain C residue 3916 ILE Chi-restraints excluded: chain C residue 3924 LEU Chi-restraints excluded: chain C residue 3929 SER Chi-restraints excluded: chain C residue 3930 ILE Chi-restraints excluded: chain C residue 3933 PHE Chi-restraints excluded: chain C residue 3938 SER Chi-restraints excluded: chain C residue 3945 GLU Chi-restraints excluded: chain C residue 3952 SER Chi-restraints excluded: chain C residue 3969 ILE Chi-restraints excluded: chain C residue 3970 GLN Chi-restraints excluded: chain C residue 3995 VAL Chi-restraints excluded: chain C residue 4005 GLN Chi-restraints excluded: chain C residue 4008 SER Chi-restraints excluded: chain C residue 4012 LEU Chi-restraints excluded: chain C residue 4014 LYS Chi-restraints excluded: chain C residue 4018 ASP 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 4049 VAL Chi-restraints excluded: chain C residue 4051 SER Chi-restraints excluded: chain C residue 4053 SER Chi-restraints excluded: chain C residue 4064 MET Chi-restraints excluded: chain C residue 4067 LYS Chi-restraints excluded: chain C residue 4072 VAL Chi-restraints excluded: chain C residue 4075 GLU Chi-restraints excluded: chain C residue 4082 THR Chi-restraints excluded: chain C residue 4087 LEU Chi-restraints excluded: chain C residue 4089 SER Chi-restraints excluded: chain C residue 4098 ASP Chi-restraints excluded: chain C residue 4104 THR Chi-restraints excluded: chain C residue 4107 GLU Chi-restraints excluded: chain C residue 4110 PHE Chi-restraints excluded: chain C residue 4112 LEU Chi-restraints excluded: chain C residue 4120 ASN Chi-restraints excluded: chain C residue 4123 ILE Chi-restraints excluded: chain C residue 4125 PHE Chi-restraints excluded: chain C residue 4135 PRO Chi-restraints excluded: chain C residue 4139 ILE Chi-restraints excluded: chain C residue 4145 VAL Chi-restraints excluded: chain C residue 4154 VAL Chi-restraints excluded: chain C residue 4159 ARG Chi-restraints excluded: chain C residue 4170 ILE Chi-restraints excluded: chain C residue 4176 PRO 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 4184 MET Chi-restraints excluded: chain C residue 4196 GLU Chi-restraints excluded: chain C residue 4200 THR Chi-restraints excluded: chain C residue 4202 ARG Chi-restraints excluded: chain C residue 4220 ASP Chi-restraints excluded: chain C residue 4221 VAL Chi-restraints excluded: chain C residue 4232 GLU Chi-restraints excluded: chain C residue 4242 ILE Chi-restraints excluded: chain C residue 4244 GLU Chi-restraints excluded: chain C residue 4251 ILE Chi-restraints excluded: chain C residue 4546 VAL 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 4582 VAL Chi-restraints excluded: chain C residue 4634 GLU Chi-restraints excluded: chain C residue 4645 CYS Chi-restraints excluded: chain C residue 4653 VAL Chi-restraints excluded: chain C residue 4667 PRO Chi-restraints excluded: chain C residue 4669 VAL Chi-restraints excluded: chain C residue 4688 ILE Chi-restraints excluded: chain C residue 4689 THR Chi-restraints excluded: chain C residue 4694 ASP Chi-restraints excluded: chain C residue 4695 ASP Chi-restraints excluded: chain C residue 4698 LYS Chi-restraints excluded: chain C residue 4707 ASN Chi-restraints excluded: chain C residue 4710 SER Chi-restraints excluded: chain C residue 4722 ARG Chi-restraints excluded: chain C residue 4737 ILE Chi-restraints excluded: chain C residue 4741 LEU Chi-restraints excluded: chain C residue 4743 MET Chi-restraints excluded: chain C residue 4745 LEU Chi-restraints excluded: chain C residue 4766 THR Chi-restraints excluded: chain C residue 4771 ILE Chi-restraints excluded: chain C residue 4788 SER Chi-restraints excluded: chain C residue 4816 ILE Chi-restraints excluded: chain C residue 4818 MET Chi-restraints excluded: chain C residue 4825 THR Chi-restraints excluded: chain C residue 4836 GLN Chi-restraints excluded: chain C residue 4838 VAL Chi-restraints excluded: chain C residue 4850 LEU Chi-restraints excluded: chain C residue 4880 MET Chi-restraints excluded: chain C residue 4881 THR Chi-restraints excluded: chain C residue 4901 ILE Chi-restraints excluded: chain C residue 4918 ILE Chi-restraints excluded: chain C residue 4919 THR Chi-restraints excluded: chain C residue 4942 GLU Chi-restraints excluded: chain C residue 4948 GLU Chi-restraints excluded: chain C residue 4952 GLU Chi-restraints excluded: chain C residue 4954 MET Chi-restraints excluded: chain C residue 4956 THR Chi-restraints excluded: chain C residue 4961 CYS Chi-restraints excluded: chain C residue 4965 SER Chi-restraints excluded: chain C residue 4966 ASP Chi-restraints excluded: chain C residue 4980 LEU Chi-restraints excluded: chain C residue 4985 LEU Chi-restraints excluded: chain C residue 4992 LEU Chi-restraints excluded: chain C residue 5002 GLU Chi-restraints excluded: chain C residue 5008 SER Chi-restraints excluded: chain D residue 13 PHE Chi-restraints excluded: chain D residue 23 GLN Chi-restraints excluded: chain D residue 24 CYS Chi-restraints excluded: chain D residue 25 SER Chi-restraints excluded: chain D residue 35 LEU Chi-restraints excluded: chain D residue 47 CYS Chi-restraints excluded: chain D residue 54 ASN Chi-restraints excluded: chain D residue 66 CYS Chi-restraints excluded: chain D residue 75 VAL Chi-restraints excluded: chain D residue 78 LEU Chi-restraints excluded: chain D residue 81 MET Chi-restraints excluded: chain D residue 82 LEU Chi-restraints excluded: chain D residue 99 ARG Chi-restraints excluded: chain D residue 109 LEU Chi-restraints excluded: chain D residue 115 ARG Chi-restraints excluded: chain D residue 119 SER Chi-restraints excluded: chain D residue 120 CYS Chi-restraints excluded: chain D residue 128 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 146 CYS Chi-restraints excluded: chain D residue 149 THR Chi-restraints excluded: chain D residue 156 GLN Chi-restraints excluded: chain D residue 169 LEU Chi-restraints excluded: chain D residue 184 THR Chi-restraints excluded: chain D residue 188 GLU Chi-restraints excluded: chain D residue 189 LEU Chi-restraints excluded: chain D residue 190 GLN Chi-restraints excluded: chain D residue 194 SER Chi-restraints excluded: chain D residue 197 GLN Chi-restraints excluded: chain D residue 210 GLU Chi-restraints excluded: chain D residue 214 VAL Chi-restraints excluded: chain D residue 215 THR Chi-restraints excluded: chain D residue 220 LEU Chi-restraints excluded: chain D residue 232 THR Chi-restraints excluded: chain D residue 253 CYS Chi-restraints excluded: chain D residue 255 HIS Chi-restraints excluded: chain D residue 258 SER Chi-restraints excluded: chain D residue 264 PRO Chi-restraints excluded: chain D residue 265 LEU Chi-restraints excluded: chain D residue 266 ARG Chi-restraints excluded: chain D residue 268 SER Chi-restraints excluded: chain D residue 272 SER Chi-restraints excluded: chain D residue 281 ARG Chi-restraints excluded: chain D residue 286 THR Chi-restraints excluded: chain D residue 290 TYR Chi-restraints excluded: chain D residue 291 LEU Chi-restraints excluded: chain D residue 294 THR Chi-restraints excluded: chain D residue 303 ASP Chi-restraints excluded: chain D residue 305 CYS Chi-restraints excluded: chain D residue 309 THR Chi-restraints excluded: chain D residue 315 CYS Chi-restraints excluded: chain D residue 317 ARG Chi-restraints excluded: chain D residue 319 SER Chi-restraints excluded: chain D residue 320 LYS Chi-restraints excluded: chain D residue 321 GLU Chi-restraints excluded: chain D residue 339 ILE Chi-restraints excluded: chain D residue 346 CYS Chi-restraints excluded: chain D residue 348 VAL Chi-restraints excluded: chain D residue 353 SER Chi-restraints excluded: chain D residue 358 THR Chi-restraints excluded: chain D residue 384 MET Chi-restraints excluded: chain D residue 386 ASP Chi-restraints excluded: chain D residue 389 PHE Chi-restraints excluded: chain D residue 392 ARG Chi-restraints excluded: chain D residue 397 GLU Chi-restraints excluded: chain D residue 404 ILE Chi-restraints excluded: chain D residue 405 HIS Chi-restraints excluded: chain D residue 413 GLN Chi-restraints excluded: chain D residue 420 SER Chi-restraints excluded: chain D residue 441 VAL Chi-restraints excluded: chain D residue 442 ILE Chi-restraints excluded: chain D residue 447 ASP Chi-restraints excluded: chain D residue 448 LEU Chi-restraints excluded: chain D residue 456 SER Chi-restraints excluded: chain D residue 470 SER Chi-restraints excluded: chain D residue 473 ASN Chi-restraints excluded: chain D residue 477 LEU Chi-restraints excluded: chain D residue 481 GLU Chi-restraints excluded: chain D residue 484 LEU Chi-restraints excluded: chain D residue 487 VAL Chi-restraints excluded: chain D residue 494 LEU Chi-restraints excluded: chain D residue 495 ASN Chi-restraints excluded: chain D residue 505 GLU Chi-restraints excluded: chain D residue 510 GLU Chi-restraints excluded: chain D residue 521 LEU Chi-restraints excluded: chain D residue 528 SER 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 540 PHE Chi-restraints excluded: chain D residue 545 ASP Chi-restraints excluded: chain D residue 549 SER Chi-restraints excluded: chain D residue 560 ILE Chi-restraints excluded: chain D residue 569 ILE Chi-restraints excluded: chain D residue 575 LEU Chi-restraints excluded: chain D residue 577 ILE Chi-restraints excluded: chain D residue 578 ILE Chi-restraints excluded: chain D residue 580 GLU Chi-restraints excluded: chain D residue 612 VAL Chi-restraints excluded: chain D residue 621 ILE Chi-restraints excluded: chain D residue 625 LEU Chi-restraints excluded: chain D residue 629 ARG Chi-restraints excluded: chain D residue 637 LEU Chi-restraints excluded: chain D residue 645 ARG Chi-restraints excluded: chain D residue 652 ARG Chi-restraints excluded: chain D residue 667 MET Chi-restraints excluded: chain D residue 672 VAL Chi-restraints excluded: chain D residue 675 LEU 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 705 ASN Chi-restraints excluded: chain D residue 707 VAL Chi-restraints excluded: chain D residue 709 ASP Chi-restraints excluded: chain D residue 710 ASP Chi-restraints excluded: chain D residue 723 THR Chi-restraints excluded: chain D residue 730 VAL Chi-restraints excluded: chain D residue 751 SER Chi-restraints excluded: chain D residue 752 VAL Chi-restraints excluded: chain D residue 755 ILE Chi-restraints excluded: chain D residue 756 SER Chi-restraints excluded: chain D residue 760 ASN Chi-restraints excluded: chain D residue 767 VAL Chi-restraints excluded: chain D residue 768 PHE Chi-restraints excluded: chain D residue 773 LEU Chi-restraints excluded: chain D residue 778 PHE Chi-restraints excluded: chain D residue 781 VAL Chi-restraints excluded: chain D residue 800 PHE Chi-restraints excluded: chain D residue 801 LYS Chi-restraints excluded: chain D residue 821 LEU Chi-restraints excluded: chain D residue 822 ARG Chi-restraints excluded: chain D residue 826 ILE Chi-restraints excluded: chain D residue 831 ARG Chi-restraints excluded: chain D residue 840 VAL Chi-restraints excluded: chain D residue 961 MET Chi-restraints excluded: chain D residue 970 LEU Chi-restraints excluded: chain D residue 1043 VAL Chi-restraints excluded: chain D residue 1072 VAL Chi-restraints excluded: chain D residue 1074 ILE Chi-restraints excluded: chain D residue 1093 GLU Chi-restraints excluded: chain D residue 1095 VAL Chi-restraints excluded: chain D residue 1113 VAL Chi-restraints excluded: chain D residue 1114 GLU Chi-restraints excluded: chain D residue 1127 HIS Chi-restraints excluded: chain D residue 1131 ARG Chi-restraints excluded: chain D residue 1137 GLU Chi-restraints excluded: chain D residue 1139 PHE Chi-restraints excluded: chain D residue 1143 TRP Chi-restraints excluded: chain D residue 1145 SER Chi-restraints excluded: chain D residue 1147 ASP Chi-restraints excluded: chain D residue 1151 CYS Chi-restraints excluded: chain D residue 1152 MET Chi-restraints excluded: chain D residue 1153 ILE Chi-restraints excluded: chain D residue 1154 ASP Chi-restraints excluded: chain D residue 1155 LEU Chi-restraints excluded: chain D residue 1163 THR Chi-restraints excluded: chain D residue 1164 LEU Chi-restraints excluded: chain D residue 1168 VAL Chi-restraints excluded: chain D residue 1169 LEU Chi-restraints excluded: chain D residue 1173 SER Chi-restraints excluded: chain D residue 1182 ILE Chi-restraints excluded: chain D residue 1184 ILE Chi-restraints excluded: chain D residue 1190 PRO Chi-restraints excluded: chain D residue 1192 CYS Chi-restraints excluded: chain D residue 1202 LEU Chi-restraints excluded: chain D residue 1204 LEU Chi-restraints excluded: chain D residue 1208 VAL Chi-restraints excluded: chain D residue 1219 LEU Chi-restraints excluded: chain D residue 1229 ASN Chi-restraints excluded: chain D residue 1234 VAL 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 1259 ARG Chi-restraints excluded: chain D residue 1269 CYS Chi-restraints excluded: chain D residue 1271 ARG Chi-restraints excluded: chain D residue 1282 SER Chi-restraints excluded: chain D residue 1283 LEU Chi-restraints excluded: chain D residue 1287 LEU Chi-restraints excluded: chain D residue 1432 THR Chi-restraints excluded: chain D residue 1437 VAL Chi-restraints excluded: chain D residue 1453 VAL Chi-restraints excluded: chain D residue 1457 TYR Chi-restraints excluded: chain D residue 1460 HIS Chi-restraints excluded: chain D residue 1466 LEU Chi-restraints excluded: chain D residue 1467 SER Chi-restraints excluded: chain D residue 1469 VAL Chi-restraints excluded: chain D residue 1472 VAL Chi-restraints excluded: chain D residue 1483 VAL Chi-restraints excluded: chain D residue 1486 SER Chi-restraints excluded: chain D residue 1576 SER Chi-restraints excluded: chain D residue 1580 PHE Chi-restraints excluded: chain D residue 1581 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 1603 VAL Chi-restraints excluded: chain D residue 1607 ARG Chi-restraints excluded: chain D residue 1632 ASP Chi-restraints excluded: chain D residue 1634 LEU Chi-restraints excluded: chain D residue 1642 PRO Chi-restraints excluded: chain D residue 1647 CYS Chi-restraints excluded: chain D residue 1657 LEU 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 1685 LEU Chi-restraints excluded: chain D residue 1687 SER Chi-restraints excluded: chain D residue 1689 VAL Chi-restraints excluded: chain D residue 1698 LEU Chi-restraints excluded: chain D residue 1699 GLU Chi-restraints excluded: chain D residue 1700 ASP Chi-restraints excluded: chain D residue 1704 PRO Chi-restraints excluded: chain D residue 1706 PRO Chi-restraints excluded: chain D residue 1717 SER Chi-restraints excluded: chain D residue 1733 GLU Chi-restraints excluded: chain D residue 1736 VAL Chi-restraints excluded: chain D residue 1738 LEU Chi-restraints excluded: chain D residue 1739 THR Chi-restraints excluded: chain D residue 1760 HIS Chi-restraints excluded: chain D residue 1770 SER Chi-restraints excluded: chain D residue 1771 LEU Chi-restraints excluded: chain D residue 1772 ARG Chi-restraints excluded: chain D residue 1778 SER Chi-restraints excluded: chain D residue 1802 ILE Chi-restraints excluded: chain D residue 1812 LEU Chi-restraints excluded: chain D residue 1815 LEU Chi-restraints excluded: chain D residue 1830 VAL Chi-restraints excluded: chain D residue 1834 VAL Chi-restraints excluded: chain D residue 1849 LEU Chi-restraints excluded: chain D residue 1857 GLU Chi-restraints excluded: chain D residue 1858 ASP Chi-restraints excluded: chain D residue 1929 MET Chi-restraints excluded: chain D residue 1934 SER Chi-restraints excluded: chain D residue 1955 VAL Chi-restraints excluded: chain D residue 1957 SER Chi-restraints excluded: chain D residue 1961 PHE Chi-restraints excluded: chain D residue 1966 VAL Chi-restraints excluded: chain D residue 1969 LEU Chi-restraints excluded: chain D residue 1993 ARG Chi-restraints excluded: chain D residue 2011 HIS Chi-restraints excluded: chain D residue 2020 ASP Chi-restraints excluded: chain D residue 2027 ILE Chi-restraints excluded: chain D residue 2030 ASP Chi-restraints excluded: chain D residue 2037 ASP Chi-restraints excluded: chain D residue 2039 LEU Chi-restraints excluded: chain D residue 2093 SER Chi-restraints excluded: chain D residue 2094 LEU Chi-restraints excluded: chain D residue 2095 GLN Chi-restraints excluded: chain D residue 2097 LEU Chi-restraints excluded: chain D residue 2111 VAL Chi-restraints excluded: chain D residue 2122 SER Chi-restraints excluded: chain D residue 2136 ARG Chi-restraints excluded: chain D residue 2143 THR Chi-restraints excluded: chain D residue 2148 SER Chi-restraints excluded: chain D residue 2156 LEU Chi-restraints excluded: chain D residue 2166 LEU Chi-restraints excluded: chain D residue 2167 ILE Chi-restraints excluded: chain D residue 2169 GLN Chi-restraints excluded: chain D residue 2170 MET Chi-restraints excluded: chain D residue 2173 GLN Chi-restraints excluded: chain D residue 2175 GLU Chi-restraints excluded: chain D residue 2186 MET Chi-restraints excluded: chain D residue 2187 ASN Chi-restraints excluded: chain D residue 2199 ARG Chi-restraints excluded: chain D residue 2221 LYS Chi-restraints excluded: chain D residue 2227 LYS Chi-restraints excluded: chain D residue 2228 MET Chi-restraints excluded: chain D residue 2229 VAL Chi-restraints excluded: chain D residue 2230 THR Chi-restraints excluded: chain D residue 2238 TYR Chi-restraints excluded: chain D residue 2241 ARG Chi-restraints excluded: chain D residue 2242 ILE Chi-restraints excluded: chain D residue 2244 ARG Chi-restraints excluded: chain D residue 2270 SER Chi-restraints excluded: chain D residue 2274 ASP Chi-restraints excluded: chain D residue 2275 VAL Chi-restraints excluded: chain D residue 2280 VAL Chi-restraints excluded: chain D residue 2281 ILE Chi-restraints excluded: chain D residue 2290 LEU Chi-restraints excluded: chain D residue 2293 GLN Chi-restraints excluded: chain D residue 2294 ASP Chi-restraints excluded: chain D residue 2295 LEU Chi-restraints excluded: chain D residue 2296 GLU Chi-restraints excluded: chain D residue 2299 VAL Chi-restraints excluded: chain D residue 2300 SER Chi-restraints excluded: chain D residue 2312 MET Chi-restraints excluded: chain D residue 2323 TRP Chi-restraints excluded: chain D residue 2324 ASN Chi-restraints excluded: chain D residue 2333 ASP Chi-restraints excluded: chain D residue 2336 ARG Chi-restraints excluded: chain D residue 2341 VAL Chi-restraints excluded: chain D residue 2352 VAL Chi-restraints excluded: chain D residue 2353 VAL Chi-restraints excluded: chain D residue 2368 LEU Chi-restraints excluded: chain D residue 2416 VAL Chi-restraints excluded: chain D residue 2423 MET Chi-restraints excluded: chain D residue 2430 ILE Chi-restraints excluded: chain D residue 2435 ARG Chi-restraints excluded: chain D residue 2442 LEU Chi-restraints excluded: chain D residue 2454 ARG Chi-restraints excluded: chain D residue 2459 SER Chi-restraints excluded: chain D residue 2460 LEU Chi-restraints excluded: chain D residue 2461 VAL Chi-restraints excluded: chain D residue 3644 LEU Chi-restraints excluded: chain D residue 3652 MET Chi-restraints excluded: chain D residue 3656 SER Chi-restraints excluded: chain D residue 3661 TRP Chi-restraints excluded: chain D residue 3662 ILE Chi-restraints excluded: chain D residue 3663 LEU Chi-restraints excluded: chain D residue 3669 PHE Chi-restraints excluded: chain D residue 3670 GLU Chi-restraints excluded: chain D residue 3696 ASP Chi-restraints excluded: chain D residue 3711 THR Chi-restraints excluded: chain D residue 3719 ASP Chi-restraints excluded: chain D residue 3732 SER Chi-restraints excluded: chain D residue 3752 SER Chi-restraints excluded: chain D residue 3754 GLU Chi-restraints excluded: chain D residue 3756 LYS Chi-restraints excluded: chain D residue 3764 LEU Chi-restraints excluded: chain D residue 3772 THR Chi-restraints excluded: chain D residue 3779 VAL Chi-restraints excluded: chain D residue 3787 LYS Chi-restraints excluded: chain D residue 3795 SER Chi-restraints excluded: chain D residue 3803 SER Chi-restraints excluded: chain D residue 3822 ASP Chi-restraints excluded: chain D residue 3837 GLN Chi-restraints excluded: chain D residue 3867 ASN Chi-restraints excluded: chain D residue 3869 GLN Chi-restraints excluded: chain D residue 3870 ASN Chi-restraints excluded: chain D residue 3873 LYS Chi-restraints excluded: chain D residue 3874 VAL Chi-restraints excluded: chain D residue 3904 ARG Chi-restraints excluded: chain D residue 3907 THR Chi-restraints excluded: chain D residue 3916 ILE Chi-restraints excluded: chain D residue 3924 LEU Chi-restraints excluded: chain D residue 3929 SER Chi-restraints excluded: chain D residue 3930 ILE Chi-restraints excluded: chain D residue 3933 PHE Chi-restraints excluded: chain D residue 3938 SER Chi-restraints excluded: chain D residue 3945 GLU Chi-restraints excluded: chain D residue 3952 SER Chi-restraints excluded: chain D residue 3969 ILE Chi-restraints excluded: chain D residue 3970 GLN Chi-restraints excluded: chain D residue 3995 VAL Chi-restraints excluded: chain D residue 4005 GLN Chi-restraints excluded: chain D residue 4008 SER Chi-restraints excluded: chain D residue 4012 LEU Chi-restraints excluded: chain D residue 4014 LYS Chi-restraints excluded: chain D residue 4018 ASP 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 4049 VAL Chi-restraints excluded: chain D residue 4051 SER Chi-restraints excluded: chain D residue 4053 SER Chi-restraints excluded: chain D residue 4064 MET Chi-restraints excluded: chain D residue 4067 LYS Chi-restraints excluded: chain D residue 4072 VAL Chi-restraints excluded: chain D residue 4075 GLU Chi-restraints excluded: chain D residue 4082 THR Chi-restraints excluded: chain D residue 4087 LEU Chi-restraints excluded: chain D residue 4089 SER Chi-restraints excluded: chain D residue 4098 ASP Chi-restraints excluded: chain D residue 4104 THR Chi-restraints excluded: chain D residue 4107 GLU Chi-restraints excluded: chain D residue 4110 PHE Chi-restraints excluded: chain D residue 4111 LEU Chi-restraints excluded: chain D residue 4112 LEU Chi-restraints excluded: chain D residue 4125 PHE Chi-restraints excluded: chain D residue 4135 PRO Chi-restraints excluded: chain D residue 4139 ILE Chi-restraints excluded: chain D residue 4145 VAL Chi-restraints excluded: chain D residue 4154 VAL Chi-restraints excluded: chain D residue 4159 ARG Chi-restraints excluded: chain D residue 4170 ILE Chi-restraints excluded: chain D residue 4178 LEU Chi-restraints excluded: chain D residue 4184 MET Chi-restraints excluded: chain D residue 4196 GLU Chi-restraints excluded: chain D residue 4200 THR Chi-restraints excluded: chain D residue 4202 ARG Chi-restraints excluded: chain D residue 4220 ASP Chi-restraints excluded: chain D residue 4221 VAL Chi-restraints excluded: chain D residue 4232 GLU Chi-restraints excluded: chain D residue 4242 ILE Chi-restraints excluded: chain D residue 4244 GLU Chi-restraints excluded: chain D residue 4251 ILE 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 4565 LEU Chi-restraints excluded: chain D residue 4582 VAL Chi-restraints excluded: chain D residue 4634 GLU Chi-restraints excluded: chain D residue 4645 CYS Chi-restraints excluded: chain D residue 4653 VAL Chi-restraints excluded: chain D residue 4667 PRO Chi-restraints excluded: chain D residue 4669 VAL Chi-restraints excluded: chain D residue 4688 ILE Chi-restraints excluded: chain D residue 4689 THR Chi-restraints excluded: chain D residue 4694 ASP Chi-restraints excluded: chain D residue 4695 ASP Chi-restraints excluded: chain D residue 4698 LYS Chi-restraints excluded: chain D residue 4707 ASN Chi-restraints excluded: chain D residue 4710 SER Chi-restraints excluded: chain D residue 4722 ARG Chi-restraints excluded: chain D residue 4737 ILE Chi-restraints excluded: chain D residue 4741 LEU Chi-restraints excluded: chain D residue 4743 MET Chi-restraints excluded: chain D residue 4766 THR Chi-restraints excluded: chain D residue 4788 SER Chi-restraints excluded: chain D residue 4816 ILE Chi-restraints excluded: chain D residue 4818 MET Chi-restraints excluded: chain D residue 4825 THR Chi-restraints excluded: chain D residue 4836 GLN Chi-restraints excluded: chain D residue 4838 VAL Chi-restraints excluded: chain D residue 4850 LEU Chi-restraints excluded: chain D residue 4874 MET Chi-restraints excluded: chain D residue 4879 MET Chi-restraints excluded: chain D residue 4880 MET Chi-restraints excluded: chain D residue 4881 THR Chi-restraints excluded: chain D residue 4901 ILE Chi-restraints excluded: chain D residue 4918 ILE Chi-restraints excluded: chain D residue 4919 THR Chi-restraints excluded: chain D residue 4948 GLU Chi-restraints excluded: chain D residue 4952 GLU Chi-restraints excluded: chain D residue 4954 MET Chi-restraints excluded: chain D residue 4956 THR Chi-restraints excluded: chain D residue 4961 CYS Chi-restraints excluded: chain D residue 4965 SER Chi-restraints excluded: chain D residue 4966 ASP Chi-restraints excluded: chain D residue 4980 LEU Chi-restraints excluded: chain D residue 4985 LEU Chi-restraints excluded: chain D residue 4992 LEU Chi-restraints excluded: chain D residue 5002 GLU Rotamers are restrained with sigma=3.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 0 random chunks: chunk None optimal weight: 5.9990 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 624 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2005 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2260 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2268 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2444 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4806 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A5003 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 473 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 624 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B 725 HIS B1231 GLN ** B2005 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2260 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2268 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2444 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4806 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 379 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C 473 ASN ** C 624 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C1231 GLN ** C1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2005 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2260 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C2284 ASN ** C2444 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4806 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C5003 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 473 ASN ** D 624 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D 720 HIS ** D1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2005 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2260 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2268 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D2284 ASN ** D2444 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3946 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4094 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4806 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D5003 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 8 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7817 moved from start: 0.8485 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.060 0.668 113365 Z= 3.863 Angle : 2.890 42.571 154462 Z= 1.528 Chirality : 0.184 1.325 18087 Planarity : 0.021 0.439 20349 Dihedral : 14.325 175.649 17058 Min Nonbonded Distance : 1.333 Molprobity Statistics. All-atom Clashscore : 50.62 Ramachandran Plot: Outliers : 2.87 % Allowed : 24.38 % Favored : 72.75 % Rotamer: Outliers : 23.54 % Allowed : 23.52 % Favored : 52.94 % Cbeta Deviations : 0.94 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 6.56 % Twisted General : 2.78 % 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: -6.68 (0.05), residues: 12368 helix: -4.24 (0.04), residues: 5676 sheet: -3.38 (0.12), residues: 1324 loop : -4.89 (0.06), residues: 5368 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.067 0.012 TRP D4794 HIS 0.041 0.007 HIS A4983 PHE 0.083 0.013 PHE B4243 TYR 0.084 0.012 TYR A 359 ARG 0.031 0.003 ARG C4892 *********************** REFINEMENT MACRO_CYCLE 5 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 24736 Ramachandran restraints generated. 12368 Oldfield, 0 Emsley, 12368 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 24736 Ramachandran restraints generated. 12368 Oldfield, 0 Emsley, 12368 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3172 residues out of total 10876 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2288 poor density : 884 time to evaluate : 9.057 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: A 65 CYS cc_start: 0.8412 (m) cc_final: 0.7907 (t) REVERT: A 115 ARG cc_start: 0.8400 (OUTLIER) cc_final: 0.7525 (mmm-85) REVERT: A 169 LEU cc_start: 0.6912 (OUTLIER) cc_final: 0.6609 (mt) REVERT: A 189 LEU cc_start: 0.8255 (OUTLIER) cc_final: 0.7943 (mt) REVERT: A 197 GLN cc_start: 0.8480 (OUTLIER) cc_final: 0.8228 (tt0) REVERT: A 218 HIS cc_start: 0.7398 (OUTLIER) cc_final: 0.6995 (m90) REVERT: A 317 ARG cc_start: 0.7461 (OUTLIER) cc_final: 0.6408 (mmp80) REVERT: A 334 MET cc_start: 0.6993 (mmm) cc_final: 0.6506 (mmp) REVERT: A 346 CYS cc_start: 0.6218 (OUTLIER) cc_final: 0.5419 (p) REVERT: A 392 ARG cc_start: 0.5848 (OUTLIER) cc_final: 0.5380 (ptt-90) REVERT: A 477 LEU cc_start: 0.8288 (OUTLIER) cc_final: 0.8011 (mt) REVERT: A 481 GLU cc_start: 0.7993 (OUTLIER) cc_final: 0.7341 (mp0) REVERT: A 510 GLU cc_start: 0.6666 (OUTLIER) cc_final: 0.6189 (mm-30) REVERT: A 513 GLU cc_start: 0.8133 (mp0) cc_final: 0.7787 (mp0) REVERT: A 575 LEU cc_start: 0.9003 (OUTLIER) cc_final: 0.8773 (mp) REVERT: A 625 LEU cc_start: 0.5962 (OUTLIER) cc_final: 0.5235 (tp) REVERT: A 629 ARG cc_start: 0.8602 (OUTLIER) cc_final: 0.6453 (mmt90) REVERT: A 663 TYR cc_start: 0.3752 (OUTLIER) cc_final: 0.1179 (t80) REVERT: A 667 MET cc_start: 0.7280 (ttt) cc_final: 0.6253 (tmm) REVERT: A 710 ASP cc_start: 0.8367 (OUTLIER) cc_final: 0.8013 (p0) REVERT: A 714 TYR cc_start: 0.6613 (OUTLIER) cc_final: 0.6244 (m-80) REVERT: A 800 PHE cc_start: 0.6642 (OUTLIER) cc_final: 0.5607 (m-10) REVERT: A 801 LYS cc_start: 0.8070 (OUTLIER) cc_final: 0.6683 (mmtt) REVERT: A 822 ARG cc_start: 0.6425 (OUTLIER) cc_final: 0.5214 (ptt-90) REVERT: A 831 ARG cc_start: 0.7753 (OUTLIER) cc_final: 0.7329 (ptp-110) REVERT: A 933 LEU cc_start: 0.4225 (OUTLIER) cc_final: 0.3917 (pp) REVERT: A 961 MET cc_start: 0.5147 (OUTLIER) cc_final: 0.4200 (ptt) REVERT: A 1127 HIS cc_start: 0.6597 (OUTLIER) cc_final: 0.5924 (t70) REVERT: A 1131 ARG cc_start: 0.7490 (OUTLIER) cc_final: 0.7271 (ptt180) REVERT: A 1137 GLU cc_start: 0.7894 (OUTLIER) cc_final: 0.7379 (mm-30) REVERT: A 1141 ARG cc_start: 0.7880 (OUTLIER) cc_final: 0.7656 (ptt90) REVERT: A 1254 HIS cc_start: 0.7848 (OUTLIER) cc_final: 0.7363 (p90) REVERT: A 1259 ARG cc_start: 0.8535 (OUTLIER) cc_final: 0.7517 (mtt90) REVERT: A 1271 ARG cc_start: 0.7652 (OUTLIER) cc_final: 0.7128 (ttp-110) REVERT: A 1580 PHE cc_start: 0.8482 (OUTLIER) cc_final: 0.6383 (t80) REVERT: A 1600 LEU cc_start: 0.8916 (OUTLIER) cc_final: 0.7945 (tp) REVERT: A 1601 MET cc_start: 0.8159 (mtt) cc_final: 0.7902 (mtp) REVERT: A 1654 SER cc_start: 0.8459 (OUTLIER) cc_final: 0.8058 (t) REVERT: A 1657 LEU cc_start: 0.9310 (OUTLIER) cc_final: 0.9027 (mp) REVERT: A 1700 ASP cc_start: 0.8558 (OUTLIER) cc_final: 0.8182 (m-30) REVERT: A 1733 GLU cc_start: 0.8242 (OUTLIER) cc_final: 0.7088 (mt-10) REVERT: A 1772 ARG cc_start: 0.8778 (OUTLIER) cc_final: 0.8430 (mtt-85) REVERT: A 1815 LEU cc_start: 0.9053 (OUTLIER) cc_final: 0.8317 (mp) REVERT: A 2092 GLN cc_start: 0.7599 (mm-40) cc_final: 0.7339 (mm110) REVERT: A 2161 GLN cc_start: 0.8723 (OUTLIER) cc_final: 0.7804 (tm-30) REVERT: A 2169 GLN cc_start: 0.8752 (OUTLIER) cc_final: 0.8006 (tt0) REVERT: A 2170 MET cc_start: 0.7718 (OUTLIER) cc_final: 0.6824 (tmm) REVERT: A 2197 LEU cc_start: 0.8489 (OUTLIER) cc_final: 0.8155 (mp) REVERT: A 2199 ARG cc_start: 0.8482 (OUTLIER) cc_final: 0.7258 (mtm-85) REVERT: A 2225 PHE cc_start: 0.7879 (OUTLIER) cc_final: 0.7653 (m-80) REVERT: A 2227 LYS cc_start: 0.8673 (OUTLIER) cc_final: 0.8321 (ttmm) REVERT: A 2244 ARG cc_start: 0.8065 (OUTLIER) cc_final: 0.7301 (mtp85) REVERT: A 2284 ASN cc_start: 0.7821 (OUTLIER) cc_final: 0.7173 (t0) REVERT: A 2295 LEU cc_start: 0.7934 (OUTLIER) cc_final: 0.7564 (mm) REVERT: A 2296 GLU cc_start: 0.8802 (OUTLIER) cc_final: 0.8329 (tp30) REVERT: A 2416 VAL cc_start: 0.8116 (OUTLIER) cc_final: 0.7886 (t) REVERT: A 3669 PHE cc_start: 0.8622 (OUTLIER) cc_final: 0.8123 (p90) REVERT: A 3670 GLU cc_start: 0.8497 (OUTLIER) cc_final: 0.7910 (mp0) REVERT: A 3756 LYS cc_start: 0.7063 (OUTLIER) cc_final: 0.6837 (pttt) REVERT: A 3758 MET cc_start: 0.7583 (tpp) cc_final: 0.7169 (tpp) REVERT: A 3787 LYS cc_start: 0.9193 (OUTLIER) cc_final: 0.8537 (mttp) REVERT: A 3837 GLN cc_start: 0.9014 (OUTLIER) cc_final: 0.8559 (mt0) REVERT: A 3869 GLN cc_start: 0.6980 (OUTLIER) cc_final: 0.6750 (pm20) REVERT: A 3893 GLU cc_start: 0.8168 (OUTLIER) cc_final: 0.7807 (tp30) REVERT: A 3904 ARG cc_start: 0.9178 (OUTLIER) cc_final: 0.8727 (ttp-110) REVERT: A 3916 ILE cc_start: 0.8824 (OUTLIER) cc_final: 0.8597 (mt) REVERT: A 3924 LEU cc_start: 0.8965 (OUTLIER) cc_final: 0.8592 (tt) REVERT: A 3970 GLN cc_start: 0.8238 (OUTLIER) cc_final: 0.7866 (tt0) REVERT: A 4005 GLN cc_start: 0.7022 (OUTLIER) cc_final: 0.4801 (mp10) REVERT: A 4015 GLU cc_start: 0.7885 (OUTLIER) cc_final: 0.7556 (mm-30) REVERT: A 4075 GLU cc_start: 0.5226 (OUTLIER) cc_final: 0.4770 (pt0) REVERT: A 4100 GLN cc_start: 0.5318 (OUTLIER) cc_final: 0.4585 (mm110) REVERT: A 4102 GLN cc_start: 0.4688 (OUTLIER) cc_final: 0.4219 (pt0) REVERT: A 4110 PHE cc_start: 0.3299 (OUTLIER) cc_final: 0.2600 (m-80) REVERT: A 4135 PRO cc_start: 0.7550 (OUTLIER) cc_final: 0.7231 (Cg_endo) REVERT: A 4159 ARG cc_start: 0.8849 (OUTLIER) cc_final: 0.8141 (mtm-85) REVERT: A 4202 ARG cc_start: 0.8410 (OUTLIER) cc_final: 0.6822 (tpp80) REVERT: A 4232 GLU cc_start: 0.9021 (OUTLIER) cc_final: 0.8154 (tt0) REVERT: A 4244 GLU cc_start: 0.8923 (OUTLIER) cc_final: 0.8074 (mm-30) REVERT: A 4632 LEU cc_start: 0.8807 (OUTLIER) cc_final: 0.8461 (tt) REVERT: A 4718 LYS cc_start: 0.8905 (OUTLIER) cc_final: 0.8589 (mmtm) REVERT: A 4741 LEU cc_start: 0.9238 (OUTLIER) cc_final: 0.8728 (mp) REVERT: A 4796 MET cc_start: 0.8918 (OUTLIER) cc_final: 0.8048 (tpt) REVERT: A 4836 GLN cc_start: 0.9154 (OUTLIER) cc_final: 0.8348 (mt0) REVERT: A 4839 MET cc_start: 0.9235 (mmm) cc_final: 0.8986 (mtp) REVERT: A 4948 GLU cc_start: 0.8802 (OUTLIER) cc_final: 0.8155 (mp0) REVERT: A 4952 GLU cc_start: 0.8424 (OUTLIER) cc_final: 0.7245 (tm-30) REVERT: B 65 CYS cc_start: 0.8376 (m) cc_final: 0.7889 (t) REVERT: B 115 ARG cc_start: 0.8391 (OUTLIER) cc_final: 0.7522 (mmm-85) REVERT: B 169 LEU cc_start: 0.6868 (OUTLIER) cc_final: 0.6619 (mt) REVERT: B 197 GLN cc_start: 0.8386 (OUTLIER) cc_final: 0.8101 (tt0) REVERT: B 218 HIS cc_start: 0.7542 (OUTLIER) cc_final: 0.7099 (m90) REVERT: B 317 ARG cc_start: 0.7429 (OUTLIER) cc_final: 0.6497 (mmp80) REVERT: B 319 SER cc_start: 0.4644 (OUTLIER) cc_final: 0.4110 (p) REVERT: B 334 MET cc_start: 0.6989 (mmm) cc_final: 0.6492 (mmp) REVERT: B 346 CYS cc_start: 0.6205 (OUTLIER) cc_final: 0.5605 (p) REVERT: B 392 ARG cc_start: 0.5819 (OUTLIER) cc_final: 0.5403 (ptt-90) REVERT: B 396 GLU cc_start: 0.6962 (OUTLIER) cc_final: 0.6605 (pp20) REVERT: B 505 GLU cc_start: 0.7378 (OUTLIER) cc_final: 0.6057 (tm-30) REVERT: B 575 LEU cc_start: 0.9003 (OUTLIER) cc_final: 0.8765 (mp) REVERT: B 625 LEU cc_start: 0.5961 (OUTLIER) cc_final: 0.5195 (tp) REVERT: B 629 ARG cc_start: 0.8594 (OUTLIER) cc_final: 0.6453 (mmt90) REVERT: B 662 TRP cc_start: 0.5694 (m100) cc_final: 0.5330 (m100) REVERT: B 663 TYR cc_start: 0.3994 (OUTLIER) cc_final: 0.1364 (t80) REVERT: B 710 ASP cc_start: 0.8239 (OUTLIER) cc_final: 0.7864 (p0) REVERT: B 714 TYR cc_start: 0.6772 (OUTLIER) cc_final: 0.6069 (m-80) REVERT: B 768 PHE cc_start: 0.6550 (OUTLIER) cc_final: 0.5665 (m-80) REVERT: B 788 LYS cc_start: 0.5868 (OUTLIER) cc_final: 0.5610 (mtmt) REVERT: B 800 PHE cc_start: 0.6681 (OUTLIER) cc_final: 0.5533 (m-10) REVERT: B 801 LYS cc_start: 0.8068 (OUTLIER) cc_final: 0.6651 (mmpt) REVERT: B 822 ARG cc_start: 0.6409 (OUTLIER) cc_final: 0.5041 (ptt-90) REVERT: B 831 ARG cc_start: 0.7726 (OUTLIER) cc_final: 0.7300 (ptp-110) REVERT: B 866 HIS cc_start: 0.6384 (OUTLIER) cc_final: 0.4846 (t-170) REVERT: B 933 LEU cc_start: 0.4433 (OUTLIER) cc_final: 0.4035 (pp) REVERT: B 961 MET cc_start: 0.4921 (OUTLIER) cc_final: 0.4158 (ptt) REVERT: B 1127 HIS cc_start: 0.6757 (OUTLIER) cc_final: 0.6070 (t70) REVERT: B 1131 ARG cc_start: 0.7516 (OUTLIER) cc_final: 0.7309 (ptt180) REVERT: B 1137 GLU cc_start: 0.7895 (OUTLIER) cc_final: 0.7358 (mm-30) REVERT: B 1198 GLN cc_start: 0.7627 (OUTLIER) cc_final: 0.7353 (mp10) REVERT: B 1219 LEU cc_start: 0.8198 (OUTLIER) cc_final: 0.7755 (mm) REVERT: B 1254 HIS cc_start: 0.7672 (OUTLIER) cc_final: 0.7287 (p90) REVERT: B 1259 ARG cc_start: 0.8553 (OUTLIER) cc_final: 0.7696 (mtt90) REVERT: B 1271 ARG cc_start: 0.7647 (OUTLIER) cc_final: 0.7148 (ttp-110) REVERT: B 1580 PHE cc_start: 0.8625 (OUTLIER) cc_final: 0.6657 (t80) REVERT: B 1583 GLU cc_start: 0.5819 (OUTLIER) cc_final: 0.4066 (mm-30) REVERT: B 1600 LEU cc_start: 0.8917 (OUTLIER) cc_final: 0.7917 (tp) REVERT: B 1601 MET cc_start: 0.8194 (mtt) cc_final: 0.7893 (mtp) REVERT: B 1657 LEU cc_start: 0.9303 (OUTLIER) cc_final: 0.9022 (mp) REVERT: B 1668 ARG cc_start: 0.9078 (OUTLIER) cc_final: 0.8412 (ttm-80) REVERT: B 1700 ASP cc_start: 0.8590 (OUTLIER) cc_final: 0.8209 (m-30) REVERT: B 1733 GLU cc_start: 0.8240 (OUTLIER) cc_final: 0.7098 (mt-10) REVERT: B 1772 ARG cc_start: 0.8783 (OUTLIER) cc_final: 0.8430 (mtt-85) REVERT: B 1782 PHE cc_start: 0.7444 (OUTLIER) cc_final: 0.6924 (p90) REVERT: B 1815 LEU cc_start: 0.9048 (OUTLIER) cc_final: 0.8314 (mp) REVERT: B 1993 ARG cc_start: 0.5734 (OUTLIER) cc_final: 0.5188 (mtm-85) REVERT: B 1996 ARG cc_start: 0.6669 (OUTLIER) cc_final: 0.5962 (ptm160) REVERT: B 2039 LEU cc_start: 0.8689 (OUTLIER) cc_final: 0.8269 (mp) REVERT: B 2092 GLN cc_start: 0.7551 (mm-40) cc_final: 0.7307 (mm110) REVERT: B 2161 GLN cc_start: 0.8724 (OUTLIER) cc_final: 0.7802 (tm-30) REVERT: B 2169 GLN cc_start: 0.8764 (OUTLIER) cc_final: 0.8029 (tt0) REVERT: B 2170 MET cc_start: 0.7708 (OUTLIER) cc_final: 0.6812 (tmm) REVERT: B 2197 LEU cc_start: 0.8487 (OUTLIER) cc_final: 0.8153 (mp) REVERT: B 2199 ARG cc_start: 0.8493 (OUTLIER) cc_final: 0.7261 (mtm-85) REVERT: B 2225 PHE cc_start: 0.7866 (OUTLIER) cc_final: 0.7646 (m-80) REVERT: B 2227 LYS cc_start: 0.8645 (OUTLIER) cc_final: 0.8309 (ttmm) REVERT: B 2244 ARG cc_start: 0.8094 (OUTLIER) cc_final: 0.7314 (mtp85) REVERT: B 2295 LEU cc_start: 0.7974 (OUTLIER) cc_final: 0.7580 (mm) REVERT: B 2296 GLU cc_start: 0.8709 (OUTLIER) cc_final: 0.8192 (tp30) REVERT: B 2377 LEU cc_start: 0.5074 (OUTLIER) cc_final: 0.4834 (mm) REVERT: B 2416 VAL cc_start: 0.8118 (OUTLIER) cc_final: 0.7861 (t) REVERT: B 3707 ARG cc_start: 0.8432 (OUTLIER) cc_final: 0.8189 (ttt90) REVERT: B 3758 MET cc_start: 0.7597 (tpp) cc_final: 0.7174 (tpp) REVERT: B 3787 LYS cc_start: 0.9124 (OUTLIER) cc_final: 0.8903 (mttt) REVERT: B 3837 GLN cc_start: 0.9009 (OUTLIER) cc_final: 0.8557 (mt0) REVERT: B 3872 GLU cc_start: 0.7936 (OUTLIER) cc_final: 0.7420 (pm20) REVERT: B 3893 GLU cc_start: 0.8089 (OUTLIER) cc_final: 0.7652 (tp30) REVERT: B 3904 ARG cc_start: 0.9186 (OUTLIER) cc_final: 0.8718 (ttp-110) REVERT: B 3916 ILE cc_start: 0.8816 (OUTLIER) cc_final: 0.8589 (mt) REVERT: B 3924 LEU cc_start: 0.8963 (OUTLIER) cc_final: 0.8593 (tt) REVERT: B 3970 GLN cc_start: 0.8206 (OUTLIER) cc_final: 0.7825 (tt0) REVERT: B 4005 GLN cc_start: 0.7027 (OUTLIER) cc_final: 0.4822 (mp10) REVERT: B 4014 LYS cc_start: 0.6122 (OUTLIER) cc_final: 0.5633 (ptmt) REVERT: B 4087 LEU cc_start: 0.6055 (OUTLIER) cc_final: 0.5749 (tt) REVERT: B 4110 PHE cc_start: 0.3466 (OUTLIER) cc_final: 0.2742 (m-80) REVERT: B 4135 PRO cc_start: 0.7542 (OUTLIER) cc_final: 0.7226 (Cg_endo) REVERT: B 4159 ARG cc_start: 0.8849 (OUTLIER) cc_final: 0.8102 (mtm-85) REVERT: B 4202 ARG cc_start: 0.8417 (OUTLIER) cc_final: 0.6782 (tpp80) REVERT: B 4232 GLU cc_start: 0.9026 (OUTLIER) cc_final: 0.8166 (tt0) REVERT: B 4244 GLU cc_start: 0.8941 (OUTLIER) cc_final: 0.8114 (mm-30) REVERT: B 4632 LEU cc_start: 0.8816 (OUTLIER) cc_final: 0.8468 (tt) REVERT: B 4718 LYS cc_start: 0.8898 (OUTLIER) cc_final: 0.8587 (mmtm) REVERT: B 4741 LEU cc_start: 0.9227 (OUTLIER) cc_final: 0.8710 (mp) REVERT: B 4796 MET cc_start: 0.8915 (OUTLIER) cc_final: 0.8033 (tpt) REVERT: B 4836 GLN cc_start: 0.9161 (OUTLIER) cc_final: 0.8354 (mt0) REVERT: B 4839 MET cc_start: 0.9236 (mmm) cc_final: 0.8957 (mtp) REVERT: B 4948 GLU cc_start: 0.8820 (OUTLIER) cc_final: 0.8140 (mp0) REVERT: B 4952 GLU cc_start: 0.8423 (OUTLIER) cc_final: 0.7237 (tm-30) REVERT: C 65 CYS cc_start: 0.8422 (m) cc_final: 0.7914 (t) REVERT: C 115 ARG cc_start: 0.8395 (OUTLIER) cc_final: 0.7524 (mmm-85) REVERT: C 169 LEU cc_start: 0.6873 (OUTLIER) cc_final: 0.6636 (mt) REVERT: C 197 GLN cc_start: 0.8394 (OUTLIER) cc_final: 0.7990 (tt0) REVERT: C 218 HIS cc_start: 0.7347 (OUTLIER) cc_final: 0.6913 (m90) REVERT: C 244 LEU cc_start: 0.8597 (mt) cc_final: 0.8355 (mt) REVERT: C 246 TYR cc_start: 0.6845 (m-80) cc_final: 0.6595 (m-80) REVERT: C 276 TRP cc_start: 0.6044 (OUTLIER) cc_final: 0.5495 (m-10) REVERT: C 317 ARG cc_start: 0.7423 (OUTLIER) cc_final: 0.6403 (mmp80) REVERT: C 334 MET cc_start: 0.6993 (mmm) cc_final: 0.6503 (mmp) REVERT: C 346 CYS cc_start: 0.6139 (OUTLIER) cc_final: 0.5468 (p) REVERT: C 392 ARG cc_start: 0.5845 (OUTLIER) cc_final: 0.5427 (ptt-90) REVERT: C 396 GLU cc_start: 0.6967 (OUTLIER) cc_final: 0.6628 (pp20) REVERT: C 477 LEU cc_start: 0.8236 (OUTLIER) cc_final: 0.7971 (mt) REVERT: C 481 GLU cc_start: 0.7986 (OUTLIER) cc_final: 0.7338 (mp0) REVERT: C 484 LEU cc_start: 0.8656 (OUTLIER) cc_final: 0.8426 (tt) REVERT: C 575 LEU cc_start: 0.9006 (OUTLIER) cc_final: 0.8768 (mp) REVERT: C 590 LEU cc_start: 0.9029 (OUTLIER) cc_final: 0.8819 (mt) REVERT: C 625 LEU cc_start: 0.5973 (OUTLIER) cc_final: 0.5188 (tp) REVERT: C 629 ARG cc_start: 0.8590 (OUTLIER) cc_final: 0.6447 (mmt90) REVERT: C 663 TYR cc_start: 0.3955 (OUTLIER) cc_final: 0.1167 (t80) REVERT: C 710 ASP cc_start: 0.8380 (OUTLIER) cc_final: 0.8041 (p0) REVERT: C 788 LYS cc_start: 0.5837 (OUTLIER) cc_final: 0.5593 (mtmt) REVERT: C 800 PHE cc_start: 0.6803 (OUTLIER) cc_final: 0.5797 (m-80) REVERT: C 801 LYS cc_start: 0.8020 (OUTLIER) cc_final: 0.6711 (mmtt) REVERT: C 822 ARG cc_start: 0.6426 (OUTLIER) cc_final: 0.5169 (ptt-90) REVERT: C 831 ARG cc_start: 0.7729 (OUTLIER) cc_final: 0.7311 (ptp-110) REVERT: C 933 LEU cc_start: 0.4407 (OUTLIER) cc_final: 0.4041 (pp) REVERT: C 961 MET cc_start: 0.5178 (OUTLIER) cc_final: 0.4179 (ptt) REVERT: C 1127 HIS cc_start: 0.6832 (OUTLIER) cc_final: 0.6092 (t70) REVERT: C 1131 ARG cc_start: 0.7516 (OUTLIER) cc_final: 0.7307 (ptt180) REVERT: C 1137 GLU cc_start: 0.7881 (OUTLIER) cc_final: 0.7352 (mm-30) REVERT: C 1198 GLN cc_start: 0.7597 (OUTLIER) cc_final: 0.7323 (mp10) REVERT: C 1219 LEU cc_start: 0.8012 (OUTLIER) cc_final: 0.7499 (mm) REVERT: C 1259 ARG cc_start: 0.8550 (OUTLIER) cc_final: 0.7623 (mtt90) REVERT: C 1271 ARG cc_start: 0.7600 (OUTLIER) cc_final: 0.7044 (ttp-110) REVERT: C 1600 LEU cc_start: 0.8912 (OUTLIER) cc_final: 0.7904 (tp) REVERT: C 1601 MET cc_start: 0.8158 (mtt) cc_final: 0.7893 (mtp) REVERT: C 1657 LEU cc_start: 0.9305 (OUTLIER) cc_final: 0.9022 (mp) REVERT: C 1668 ARG cc_start: 0.9075 (OUTLIER) cc_final: 0.8408 (ttm-80) REVERT: C 1700 ASP cc_start: 0.8595 (OUTLIER) cc_final: 0.8214 (m-30) REVERT: C 1733 GLU cc_start: 0.8246 (OUTLIER) cc_final: 0.7094 (mt-10) REVERT: C 1772 ARG cc_start: 0.8784 (OUTLIER) cc_final: 0.8438 (mtt-85) REVERT: C 1782 PHE cc_start: 0.7214 (OUTLIER) cc_final: 0.6783 (p90) REVERT: C 1815 LEU cc_start: 0.9021 (OUTLIER) cc_final: 0.8290 (mp) REVERT: C 1930 LYS cc_start: 0.8752 (OUTLIER) cc_final: 0.8271 (ttpp) REVERT: C 1981 MET cc_start: 0.6847 (OUTLIER) cc_final: 0.6600 (mmm) REVERT: C 2039 LEU cc_start: 0.8674 (OUTLIER) cc_final: 0.8287 (mp) REVERT: C 2092 GLN cc_start: 0.7625 (mm-40) cc_final: 0.7365 (mm110) REVERT: C 2161 GLN cc_start: 0.8715 (OUTLIER) cc_final: 0.7786 (tm-30) REVERT: C 2169 GLN cc_start: 0.8773 (OUTLIER) cc_final: 0.8033 (tt0) REVERT: C 2170 MET cc_start: 0.7696 (OUTLIER) cc_final: 0.6770 (tmm) REVERT: C 2197 LEU cc_start: 0.8505 (OUTLIER) cc_final: 0.8175 (mp) REVERT: C 2199 ARG cc_start: 0.8486 (OUTLIER) cc_final: 0.7328 (mtm-85) REVERT: C 2227 LYS cc_start: 0.8640 (OUTLIER) cc_final: 0.8303 (ttmm) REVERT: C 2244 ARG cc_start: 0.8094 (OUTLIER) cc_final: 0.7313 (mtp85) REVERT: C 2295 LEU cc_start: 0.7949 (OUTLIER) cc_final: 0.7566 (mm) REVERT: C 2296 GLU cc_start: 0.8812 (OUTLIER) cc_final: 0.8343 (tp30) REVERT: C 2377 LEU cc_start: 0.5204 (OUTLIER) cc_final: 0.5002 (mm) REVERT: C 2416 VAL cc_start: 0.8092 (OUTLIER) cc_final: 0.7868 (t) REVERT: C 3670 GLU cc_start: 0.8537 (OUTLIER) cc_final: 0.7976 (mp0) REVERT: C 3707 ARG cc_start: 0.8446 (OUTLIER) cc_final: 0.7653 (ptt90) REVERT: C 3758 MET cc_start: 0.7594 (tpp) cc_final: 0.7174 (tpp) REVERT: C 3787 LYS cc_start: 0.9123 (OUTLIER) cc_final: 0.8881 (mttt) REVERT: C 3837 GLN cc_start: 0.9014 (OUTLIER) cc_final: 0.8570 (mt0) REVERT: C 3873 LYS cc_start: 0.8226 (OUTLIER) cc_final: 0.7530 (tppt) REVERT: C 3893 GLU cc_start: 0.8063 (OUTLIER) cc_final: 0.7625 (tp30) REVERT: C 3904 ARG cc_start: 0.9179 (OUTLIER) cc_final: 0.8725 (ttp-110) REVERT: C 3916 ILE cc_start: 0.8818 (OUTLIER) cc_final: 0.8593 (mp) REVERT: C 3924 LEU cc_start: 0.8956 (OUTLIER) cc_final: 0.8588 (tt) REVERT: C 3970 GLN cc_start: 0.8213 (OUTLIER) cc_final: 0.7837 (tt0) REVERT: C 4005 GLN cc_start: 0.7026 (OUTLIER) cc_final: 0.4814 (mp10) REVERT: C 4014 LYS cc_start: 0.6133 (OUTLIER) cc_final: 0.5687 (ptmt) REVERT: C 4087 LEU cc_start: 0.6065 (OUTLIER) cc_final: 0.5743 (tt) REVERT: C 4110 PHE cc_start: 0.3434 (OUTLIER) cc_final: 0.2726 (m-80) REVERT: C 4135 PRO cc_start: 0.7534 (OUTLIER) cc_final: 0.7221 (Cg_endo) REVERT: C 4159 ARG cc_start: 0.8852 (OUTLIER) cc_final: 0.8151 (mtm-85) REVERT: C 4202 ARG cc_start: 0.8410 (OUTLIER) cc_final: 0.6810 (tpp80) REVERT: C 4232 GLU cc_start: 0.9038 (OUTLIER) cc_final: 0.8178 (tt0) REVERT: C 4244 GLU cc_start: 0.8931 (OUTLIER) cc_final: 0.8112 (mm-30) REVERT: C 4632 LEU cc_start: 0.8834 (OUTLIER) cc_final: 0.8486 (tt) REVERT: C 4718 LYS cc_start: 0.8901 (OUTLIER) cc_final: 0.8591 (mmtm) REVERT: C 4741 LEU cc_start: 0.9231 (OUTLIER) cc_final: 0.8755 (mp) REVERT: C 4836 GLN cc_start: 0.9158 (OUTLIER) cc_final: 0.8369 (mt0) REVERT: C 4839 MET cc_start: 0.9227 (mmm) cc_final: 0.8960 (mtp) REVERT: C 4948 GLU cc_start: 0.8797 (OUTLIER) cc_final: 0.8090 (mp0) REVERT: C 4952 GLU cc_start: 0.8407 (OUTLIER) cc_final: 0.7217 (tm-30) REVERT: D 32 GLN cc_start: 0.7174 (OUTLIER) cc_final: 0.5936 (pp30) REVERT: D 65 CYS cc_start: 0.8389 (m) cc_final: 0.7896 (t) REVERT: D 115 ARG cc_start: 0.8375 (OUTLIER) cc_final: 0.7497 (mmm-85) REVERT: D 169 LEU cc_start: 0.6875 (OUTLIER) cc_final: 0.6635 (mt) REVERT: D 189 LEU cc_start: 0.8330 (OUTLIER) cc_final: 0.8054 (mt) REVERT: D 197 GLN cc_start: 0.8398 (OUTLIER) cc_final: 0.7992 (tt0) REVERT: D 218 HIS cc_start: 0.7528 (OUTLIER) cc_final: 0.7096 (m90) REVERT: D 244 LEU cc_start: 0.8597 (mt) cc_final: 0.8368 (mt) REVERT: D 246 TYR cc_start: 0.6864 (m-80) cc_final: 0.6654 (m-80) REVERT: D 276 TRP cc_start: 0.5964 (OUTLIER) cc_final: 0.5555 (m-10) REVERT: D 317 ARG cc_start: 0.7430 (OUTLIER) cc_final: 0.6392 (mmp80) REVERT: D 334 MET cc_start: 0.6997 (mmm) cc_final: 0.6396 (mmp) REVERT: D 346 CYS cc_start: 0.6146 (OUTLIER) cc_final: 0.5538 (p) REVERT: D 392 ARG cc_start: 0.5853 (OUTLIER) cc_final: 0.5404 (ptt-90) REVERT: D 477 LEU cc_start: 0.8235 (OUTLIER) cc_final: 0.7966 (mt) REVERT: D 481 GLU cc_start: 0.7978 (OUTLIER) cc_final: 0.7310 (mp0) REVERT: D 510 GLU cc_start: 0.6578 (OUTLIER) cc_final: 0.6068 (mm-30) REVERT: D 521 LEU cc_start: 0.8803 (OUTLIER) cc_final: 0.8058 (mp) REVERT: D 575 LEU cc_start: 0.9007 (OUTLIER) cc_final: 0.8774 (mp) REVERT: D 625 LEU cc_start: 0.5957 (OUTLIER) cc_final: 0.5235 (tp) REVERT: D 629 ARG cc_start: 0.8586 (OUTLIER) cc_final: 0.6432 (mmt90) REVERT: D 645 ARG cc_start: 0.7037 (OUTLIER) cc_final: 0.6696 (ptm160) REVERT: D 710 ASP cc_start: 0.8394 (OUTLIER) cc_final: 0.8073 (p0) REVERT: D 757 PHE cc_start: 0.7514 (OUTLIER) cc_final: 0.7159 (m-80) REVERT: D 788 LYS cc_start: 0.5915 (OUTLIER) cc_final: 0.5580 (mtmt) REVERT: D 800 PHE cc_start: 0.6364 (OUTLIER) cc_final: 0.5416 (m-10) REVERT: D 801 LYS cc_start: 0.6995 (OUTLIER) cc_final: 0.6625 (mmtt) REVERT: D 822 ARG cc_start: 0.6518 (OUTLIER) cc_final: 0.5337 (ptt-90) REVERT: D 831 ARG cc_start: 0.7773 (OUTLIER) cc_final: 0.7507 (ptp-110) REVERT: D 961 MET cc_start: 0.4890 (OUTLIER) cc_final: 0.4187 (ptt) REVERT: D 1106 ARG cc_start: 0.8244 (OUTLIER) cc_final: 0.7914 (mmt-90) REVERT: D 1127 HIS cc_start: 0.6801 (OUTLIER) cc_final: 0.5961 (t70) REVERT: D 1131 ARG cc_start: 0.7335 (OUTLIER) cc_final: 0.6821 (ptt180) REVERT: D 1137 GLU cc_start: 0.7911 (OUTLIER) cc_final: 0.7380 (mm-30) REVERT: D 1152 MET cc_start: 0.7272 (OUTLIER) cc_final: 0.7024 (mmm) REVERT: D 1198 GLN cc_start: 0.7627 (OUTLIER) cc_final: 0.7332 (mp10) REVERT: D 1259 ARG cc_start: 0.8539 (OUTLIER) cc_final: 0.7992 (mtp85) REVERT: D 1271 ARG cc_start: 0.7599 (OUTLIER) cc_final: 0.6973 (ttp-110) REVERT: D 1580 PHE cc_start: 0.8494 (OUTLIER) cc_final: 0.6437 (t80) REVERT: D 1600 LEU cc_start: 0.8918 (OUTLIER) cc_final: 0.7905 (tp) REVERT: D 1601 MET cc_start: 0.8159 (mtt) cc_final: 0.7860 (mtp) REVERT: D 1700 ASP cc_start: 0.8662 (OUTLIER) cc_final: 0.8280 (m-30) REVERT: D 1733 GLU cc_start: 0.8241 (OUTLIER) cc_final: 0.7076 (mt-10) REVERT: D 1771 LEU cc_start: 0.9198 (OUTLIER) cc_final: 0.8969 (mp) REVERT: D 1772 ARG cc_start: 0.8774 (OUTLIER) cc_final: 0.8462 (mtt-85) REVERT: D 1782 PHE cc_start: 0.7125 (OUTLIER) cc_final: 0.6540 (p90) REVERT: D 1815 LEU cc_start: 0.9025 (OUTLIER) cc_final: 0.8336 (mp) REVERT: D 1930 LYS cc_start: 0.8731 (OUTLIER) cc_final: 0.8178 (ttpp) REVERT: D 2092 GLN cc_start: 0.7614 (mm-40) cc_final: 0.7363 (mm110) REVERT: D 2161 GLN cc_start: 0.8713 (OUTLIER) cc_final: 0.7784 (tm-30) REVERT: D 2169 GLN cc_start: 0.8784 (OUTLIER) cc_final: 0.8047 (tt0) REVERT: D 2170 MET cc_start: 0.7723 (OUTLIER) cc_final: 0.6821 (tmm) REVERT: D 2173 GLN cc_start: 0.7970 (OUTLIER) cc_final: 0.7755 (tt0) REVERT: D 2197 LEU cc_start: 0.8489 (OUTLIER) cc_final: 0.8153 (mp) REVERT: D 2199 ARG cc_start: 0.8485 (OUTLIER) cc_final: 0.7254 (mtm-85) REVERT: D 2227 LYS cc_start: 0.8610 (OUTLIER) cc_final: 0.8289 (ttmm) REVERT: D 2244 ARG cc_start: 0.8092 (OUTLIER) cc_final: 0.7328 (mtp85) REVERT: D 2295 LEU cc_start: 0.7971 (OUTLIER) cc_final: 0.7590 (mm) REVERT: D 2296 GLU cc_start: 0.8816 (OUTLIER) cc_final: 0.8345 (tp30) REVERT: D 2416 VAL cc_start: 0.8106 (OUTLIER) cc_final: 0.7874 (t) REVERT: D 3756 LYS cc_start: 0.7068 (OUTLIER) cc_final: 0.6833 (pttt) REVERT: D 3758 MET cc_start: 0.7602 (tpp) cc_final: 0.7184 (tpp) REVERT: D 3787 LYS cc_start: 0.9188 (OUTLIER) cc_final: 0.8545 (mttp) REVERT: D 3837 GLN cc_start: 0.9059 (OUTLIER) cc_final: 0.8650 (mt0) REVERT: D 3869 GLN cc_start: 0.4883 (OUTLIER) cc_final: 0.4442 (pm20) REVERT: D 3872 GLU cc_start: 0.7730 (OUTLIER) cc_final: 0.7375 (pm20) REVERT: D 3893 GLU cc_start: 0.8073 (OUTLIER) cc_final: 0.7676 (tp30) REVERT: D 3904 ARG cc_start: 0.9190 (OUTLIER) cc_final: 0.8728 (ttp-110) REVERT: D 3916 ILE cc_start: 0.8823 (OUTLIER) cc_final: 0.8595 (mt) REVERT: D 3924 LEU cc_start: 0.8967 (OUTLIER) cc_final: 0.8595 (tt) REVERT: D 3970 GLN cc_start: 0.8239 (OUTLIER) cc_final: 0.7865 (tt0) REVERT: D 4005 GLN cc_start: 0.7028 (OUTLIER) cc_final: 0.4820 (mp10) REVERT: D 4014 LYS cc_start: 0.6197 (OUTLIER) cc_final: 0.5743 (ptmt) REVERT: D 4087 LEU cc_start: 0.5981 (OUTLIER) cc_final: 0.5640 (tt) REVERT: D 4110 PHE cc_start: 0.3424 (OUTLIER) cc_final: 0.2712 (m-80) REVERT: D 4135 PRO cc_start: 0.7563 (OUTLIER) cc_final: 0.7254 (Cg_endo) REVERT: D 4159 ARG cc_start: 0.8851 (OUTLIER) cc_final: 0.8144 (mtm-85) REVERT: D 4232 GLU cc_start: 0.9026 (OUTLIER) cc_final: 0.8159 (tt0) REVERT: D 4244 GLU cc_start: 0.8916 (OUTLIER) cc_final: 0.8063 (mm-30) REVERT: D 4632 LEU cc_start: 0.8819 (OUTLIER) cc_final: 0.8464 (tt) REVERT: D 4718 LYS cc_start: 0.8915 (OUTLIER) cc_final: 0.8601 (mmtm) REVERT: D 4741 LEU cc_start: 0.9247 (OUTLIER) cc_final: 0.8768 (mp) REVERT: D 4836 GLN cc_start: 0.9155 (OUTLIER) cc_final: 0.8359 (mt0) REVERT: D 4839 MET cc_start: 0.9227 (mmm) cc_final: 0.8966 (mtp) REVERT: D 4874 MET cc_start: 0.9350 (OUTLIER) cc_final: 0.8285 (mmm) REVERT: D 4948 GLU cc_start: 0.8806 (OUTLIER) cc_final: 0.8127 (mp0) REVERT: D 4952 GLU cc_start: 0.8425 (OUTLIER) cc_final: 0.7235 (tm-30) outliers start: 2288 outliers final: 1612 residues processed: 2916 average time/residue: 0.8814 time to fit residues: 4561.7677 Evaluate side-chains 2819 residues out of total 10876 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 1932 poor density : 887 time to evaluate : 8.681 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 13 PHE Chi-restraints excluded: chain A residue 18 ASP Chi-restraints excluded: chain A residue 24 CYS Chi-restraints excluded: chain A residue 25 SER 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 47 CYS Chi-restraints excluded: chain A residue 54 ASN Chi-restraints excluded: chain A residue 58 VAL Chi-restraints excluded: chain A residue 66 CYS Chi-restraints excluded: chain A residue 75 VAL Chi-restraints excluded: chain A residue 78 LEU Chi-restraints excluded: chain A residue 82 LEU Chi-restraints excluded: chain A residue 99 ARG Chi-restraints excluded: chain A residue 109 LEU Chi-restraints excluded: chain A residue 115 ARG Chi-restraints excluded: chain A residue 119 SER Chi-restraints excluded: chain A residue 120 CYS Chi-restraints excluded: chain A residue 125 ARG Chi-restraints excluded: chain A residue 128 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 146 CYS Chi-restraints excluded: chain A residue 149 THR Chi-restraints excluded: chain A residue 156 GLN Chi-restraints excluded: chain A residue 167 ASP Chi-restraints excluded: chain A residue 169 LEU Chi-restraints excluded: chain A residue 184 THR Chi-restraints excluded: chain A residue 188 GLU Chi-restraints excluded: chain A residue 189 LEU Chi-restraints excluded: chain A residue 190 GLN Chi-restraints excluded: chain A residue 197 GLN Chi-restraints excluded: chain A residue 210 GLU Chi-restraints excluded: chain A residue 214 VAL Chi-restraints excluded: chain A residue 215 THR Chi-restraints excluded: chain A residue 218 HIS Chi-restraints excluded: chain A residue 220 LEU Chi-restraints excluded: chain A residue 232 THR Chi-restraints excluded: chain A residue 253 CYS Chi-restraints excluded: chain A residue 255 HIS Chi-restraints excluded: chain A residue 257 ARG Chi-restraints excluded: chain A residue 258 SER Chi-restraints excluded: chain A residue 264 PRO Chi-restraints excluded: chain A residue 266 ARG Chi-restraints excluded: chain A residue 268 SER Chi-restraints excluded: chain A residue 272 SER Chi-restraints excluded: chain A residue 281 ARG Chi-restraints excluded: chain A residue 286 THR Chi-restraints excluded: chain A residue 290 TYR Chi-restraints excluded: chain A residue 291 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 305 CYS Chi-restraints excluded: chain A residue 309 THR Chi-restraints excluded: chain A residue 312 THR Chi-restraints excluded: chain A residue 315 CYS Chi-restraints excluded: chain A residue 317 ARG Chi-restraints excluded: chain A residue 318 VAL Chi-restraints excluded: chain A residue 319 SER Chi-restraints excluded: chain A residue 320 LYS Chi-restraints excluded: chain A residue 321 GLU Chi-restraints excluded: chain A residue 322 LYS Chi-restraints excluded: chain A residue 346 CYS Chi-restraints excluded: chain A residue 348 VAL Chi-restraints excluded: chain A residue 353 SER Chi-restraints excluded: chain A residue 358 THR Chi-restraints excluded: chain A residue 359 TYR Chi-restraints excluded: chain A residue 363 ASP Chi-restraints excluded: chain A residue 384 MET Chi-restraints excluded: chain A residue 386 ASP Chi-restraints excluded: chain A residue 389 PHE Chi-restraints excluded: chain A residue 392 ARG Chi-restraints excluded: chain A residue 397 GLU Chi-restraints excluded: chain A residue 404 ILE Chi-restraints excluded: chain A residue 405 HIS Chi-restraints excluded: chain A residue 407 THR Chi-restraints excluded: chain A residue 420 SER Chi-restraints excluded: chain A residue 441 VAL Chi-restraints excluded: chain A residue 442 ILE Chi-restraints excluded: chain A residue 447 ASP Chi-restraints excluded: chain A residue 448 LEU Chi-restraints excluded: chain A residue 456 SER Chi-restraints excluded: chain A residue 470 SER Chi-restraints excluded: chain A residue 473 ASN Chi-restraints excluded: chain A residue 477 LEU Chi-restraints excluded: chain A residue 481 GLU Chi-restraints excluded: chain A residue 487 VAL Chi-restraints excluded: chain A residue 494 LEU Chi-restraints excluded: chain A residue 495 ASN Chi-restraints excluded: chain A residue 496 VAL Chi-restraints excluded: chain A residue 505 GLU Chi-restraints excluded: chain A residue 510 GLU Chi-restraints excluded: chain A residue 528 SER 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 540 PHE Chi-restraints excluded: chain A residue 545 ASP Chi-restraints excluded: chain A residue 549 SER Chi-restraints excluded: chain A residue 560 ILE Chi-restraints excluded: chain A residue 569 ILE Chi-restraints excluded: chain A residue 575 LEU Chi-restraints excluded: chain A residue 577 ILE Chi-restraints excluded: chain A residue 578 ILE Chi-restraints excluded: chain A residue 580 GLU Chi-restraints excluded: chain A residue 587 ILE Chi-restraints excluded: chain A residue 590 LEU Chi-restraints excluded: chain A residue 593 HIS Chi-restraints excluded: chain A residue 612 VAL Chi-restraints excluded: chain A residue 621 ILE Chi-restraints excluded: chain A residue 625 LEU Chi-restraints excluded: chain A residue 629 ARG Chi-restraints excluded: chain A residue 637 LEU Chi-restraints excluded: chain A residue 652 ARG Chi-restraints excluded: chain A residue 659 TYR Chi-restraints excluded: chain A residue 663 TYR Chi-restraints excluded: chain A residue 666 VAL Chi-restraints excluded: chain A residue 675 LEU 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 707 VAL Chi-restraints excluded: chain A residue 709 ASP Chi-restraints excluded: chain A residue 710 ASP Chi-restraints excluded: chain A residue 714 TYR Chi-restraints excluded: chain A residue 721 LEU Chi-restraints excluded: chain A residue 723 THR Chi-restraints excluded: chain A residue 730 VAL 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 755 ILE Chi-restraints excluded: chain A residue 756 SER Chi-restraints excluded: chain A residue 760 ASN Chi-restraints excluded: chain A residue 767 VAL Chi-restraints excluded: chain A residue 768 PHE Chi-restraints excluded: chain A residue 773 LEU Chi-restraints excluded: chain A residue 778 PHE Chi-restraints excluded: chain A residue 781 VAL Chi-restraints excluded: chain A residue 789 VAL Chi-restraints excluded: chain A residue 800 PHE Chi-restraints excluded: chain A residue 801 LYS Chi-restraints excluded: chain A residue 822 ARG Chi-restraints excluded: chain A residue 823 LEU Chi-restraints excluded: chain A residue 826 ILE Chi-restraints excluded: chain A residue 831 ARG Chi-restraints excluded: chain A residue 840 VAL Chi-restraints excluded: chain A residue 925 SER Chi-restraints excluded: chain A residue 933 LEU Chi-restraints excluded: chain A residue 961 MET Chi-restraints excluded: chain A residue 974 HIS Chi-restraints excluded: chain A residue 978 THR Chi-restraints excluded: chain A residue 1043 VAL Chi-restraints excluded: chain A residue 1072 VAL Chi-restraints excluded: chain A residue 1074 ILE Chi-restraints excluded: chain A residue 1093 GLU Chi-restraints excluded: chain A residue 1095 VAL Chi-restraints excluded: chain A residue 1113 VAL Chi-restraints excluded: chain A residue 1114 GLU Chi-restraints excluded: chain A residue 1123 VAL Chi-restraints excluded: chain A residue 1127 HIS Chi-restraints excluded: chain A residue 1131 ARG Chi-restraints excluded: chain A residue 1137 GLU Chi-restraints excluded: chain A residue 1141 ARG Chi-restraints excluded: chain A residue 1143 TRP Chi-restraints excluded: chain A residue 1145 SER Chi-restraints excluded: chain A residue 1147 ASP Chi-restraints excluded: chain A residue 1151 CYS Chi-restraints excluded: chain A residue 1153 ILE Chi-restraints excluded: chain A residue 1154 ASP Chi-restraints excluded: chain A residue 1155 LEU Chi-restraints excluded: chain A residue 1163 THR Chi-restraints excluded: chain A residue 1164 LEU Chi-restraints excluded: chain A residue 1168 VAL Chi-restraints excluded: chain A residue 1171 SER Chi-restraints excluded: chain A residue 1173 SER Chi-restraints excluded: chain A residue 1182 ILE Chi-restraints excluded: chain A residue 1190 PRO Chi-restraints excluded: chain A residue 1192 CYS Chi-restraints excluded: chain A residue 1193 SER Chi-restraints excluded: chain A residue 1198 GLN Chi-restraints excluded: chain A residue 1202 LEU Chi-restraints excluded: chain A residue 1204 LEU Chi-restraints excluded: chain A residue 1208 VAL Chi-restraints excluded: chain A residue 1216 ILE Chi-restraints excluded: chain A residue 1219 LEU Chi-restraints excluded: chain A residue 1229 ASN Chi-restraints excluded: chain A residue 1234 VAL Chi-restraints excluded: chain A residue 1238 PHE Chi-restraints excluded: chain A residue 1241 SER 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 1259 ARG Chi-restraints excluded: chain A residue 1269 CYS Chi-restraints excluded: chain A residue 1271 ARG Chi-restraints excluded: chain A residue 1282 SER Chi-restraints excluded: chain A residue 1283 LEU Chi-restraints excluded: chain A residue 1287 LEU Chi-restraints excluded: chain A residue 1431 THR Chi-restraints excluded: chain A residue 1444 GLU Chi-restraints excluded: chain A residue 1457 TYR Chi-restraints excluded: chain A residue 1460 HIS Chi-restraints excluded: chain A residue 1466 LEU Chi-restraints excluded: chain A residue 1467 SER Chi-restraints excluded: chain A residue 1469 VAL Chi-restraints excluded: chain A residue 1483 VAL Chi-restraints excluded: chain A residue 1485 SER Chi-restraints excluded: chain A residue 1486 SER Chi-restraints excluded: chain A residue 1576 SER Chi-restraints excluded: chain A residue 1580 PHE 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 1603 VAL Chi-restraints excluded: chain A residue 1607 ARG Chi-restraints excluded: chain A residue 1628 VAL Chi-restraints excluded: chain A residue 1630 CYS Chi-restraints excluded: chain A residue 1632 ASP Chi-restraints excluded: chain A residue 1634 LEU Chi-restraints excluded: chain A residue 1636 MET Chi-restraints excluded: chain A residue 1642 PRO Chi-restraints excluded: chain A residue 1647 CYS 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 1685 LEU Chi-restraints excluded: chain A residue 1687 SER Chi-restraints excluded: chain A residue 1698 LEU Chi-restraints excluded: chain A residue 1699 GLU Chi-restraints excluded: chain A residue 1700 ASP Chi-restraints excluded: chain A residue 1704 PRO Chi-restraints excluded: chain A residue 1706 PRO Chi-restraints excluded: chain A residue 1717 SER Chi-restraints excluded: chain A residue 1733 GLU Chi-restraints excluded: chain A residue 1736 VAL Chi-restraints excluded: chain A residue 1738 LEU Chi-restraints excluded: chain A residue 1739 THR Chi-restraints excluded: chain A residue 1760 HIS Chi-restraints excluded: chain A residue 1770 SER Chi-restraints excluded: chain A residue 1771 LEU Chi-restraints excluded: chain A residue 1772 ARG Chi-restraints excluded: chain A residue 1778 SER Chi-restraints excluded: chain A residue 1802 ILE Chi-restraints excluded: chain A residue 1812 LEU Chi-restraints excluded: chain A residue 1815 LEU Chi-restraints excluded: chain A residue 1830 VAL Chi-restraints excluded: chain A residue 1834 VAL Chi-restraints excluded: chain A residue 1837 GLN Chi-restraints excluded: chain A residue 1849 LEU Chi-restraints excluded: chain A residue 1857 GLU Chi-restraints excluded: chain A residue 1858 ASP Chi-restraints excluded: chain A residue 1869 GLU Chi-restraints excluded: chain A residue 1872 THR Chi-restraints excluded: chain A residue 1873 GLU Chi-restraints excluded: chain A residue 1929 MET Chi-restraints excluded: chain A residue 1934 SER Chi-restraints excluded: chain A residue 1955 VAL Chi-restraints excluded: chain A residue 1961 PHE Chi-restraints excluded: chain A residue 1966 VAL Chi-restraints excluded: chain A residue 1969 LEU Chi-restraints excluded: chain A residue 1981 MET Chi-restraints excluded: chain A residue 1987 SER Chi-restraints excluded: chain A residue 1993 ARG Chi-restraints excluded: chain A residue 1996 ARG Chi-restraints excluded: chain A residue 2020 ASP Chi-restraints excluded: chain A residue 2027 ILE Chi-restraints excluded: chain A residue 2037 ASP Chi-restraints excluded: chain A residue 2093 SER Chi-restraints excluded: chain A residue 2094 LEU Chi-restraints excluded: chain A residue 2095 GLN Chi-restraints excluded: chain A residue 2097 LEU Chi-restraints excluded: chain A residue 2098 VAL Chi-restraints excluded: chain A residue 2111 VAL Chi-restraints excluded: chain A residue 2120 MET Chi-restraints excluded: chain A residue 2122 SER Chi-restraints excluded: chain A residue 2136 ARG Chi-restraints excluded: chain A residue 2143 THR Chi-restraints excluded: chain A residue 2148 SER Chi-restraints excluded: chain A residue 2156 LEU Chi-restraints excluded: chain A residue 2161 GLN Chi-restraints excluded: chain A residue 2166 LEU Chi-restraints excluded: chain A residue 2167 ILE Chi-restraints excluded: chain A residue 2169 GLN Chi-restraints excluded: chain A residue 2170 MET Chi-restraints excluded: chain A residue 2175 GLU Chi-restraints excluded: chain A residue 2186 MET Chi-restraints excluded: chain A residue 2187 ASN Chi-restraints excluded: chain A residue 2197 LEU Chi-restraints excluded: chain A residue 2199 ARG Chi-restraints excluded: chain A residue 2225 PHE Chi-restraints excluded: chain A residue 2227 LYS Chi-restraints excluded: chain A residue 2228 MET Chi-restraints excluded: chain A residue 2229 VAL Chi-restraints excluded: chain A residue 2230 THR Chi-restraints excluded: chain A residue 2231 SER Chi-restraints excluded: chain A residue 2238 TYR Chi-restraints excluded: chain A residue 2241 ARG Chi-restraints excluded: chain A residue 2242 ILE Chi-restraints excluded: chain A residue 2244 ARG Chi-restraints excluded: chain A residue 2252 ASP Chi-restraints excluded: chain A residue 2270 SER Chi-restraints excluded: chain A residue 2274 ASP Chi-restraints excluded: chain A residue 2275 VAL Chi-restraints excluded: chain A residue 2280 VAL Chi-restraints excluded: chain A residue 2281 ILE Chi-restraints excluded: chain A residue 2284 ASN Chi-restraints excluded: chain A residue 2290 LEU Chi-restraints excluded: chain A residue 2293 GLN Chi-restraints excluded: chain A residue 2294 ASP Chi-restraints excluded: chain A residue 2295 LEU Chi-restraints excluded: chain A residue 2296 GLU Chi-restraints excluded: chain A residue 2299 VAL Chi-restraints excluded: chain A residue 2300 SER Chi-restraints excluded: chain A residue 2312 MET Chi-restraints excluded: chain A residue 2314 LEU Chi-restraints excluded: chain A residue 2324 ASN Chi-restraints excluded: chain A residue 2333 ASP Chi-restraints excluded: chain A residue 2336 ARG Chi-restraints excluded: chain A residue 2341 VAL Chi-restraints excluded: chain A residue 2346 VAL Chi-restraints excluded: chain A residue 2352 VAL Chi-restraints excluded: chain A residue 2353 VAL Chi-restraints excluded: chain A residue 2368 LEU Chi-restraints excluded: chain A residue 2371 GLU Chi-restraints excluded: chain A residue 2416 VAL Chi-restraints excluded: chain A residue 2423 MET Chi-restraints excluded: chain A residue 2430 ILE Chi-restraints excluded: chain A residue 2442 LEU Chi-restraints excluded: chain A residue 2454 ARG Chi-restraints excluded: chain A residue 2460 LEU Chi-restraints excluded: chain A residue 2461 VAL Chi-restraints excluded: chain A residue 2479 LEU Chi-restraints excluded: chain A residue 3644 LEU Chi-restraints excluded: chain A residue 3652 MET Chi-restraints excluded: chain A residue 3656 SER Chi-restraints excluded: chain A residue 3661 TRP Chi-restraints excluded: chain A residue 3662 ILE Chi-restraints excluded: chain A residue 3663 LEU Chi-restraints excluded: chain A residue 3669 PHE Chi-restraints excluded: chain A residue 3670 GLU Chi-restraints excluded: chain A residue 3678 SER Chi-restraints excluded: chain A residue 3682 GLU Chi-restraints excluded: chain A residue 3696 ASP Chi-restraints excluded: chain A residue 3707 ARG Chi-restraints excluded: chain A residue 3711 THR Chi-restraints excluded: chain A residue 3719 ASP Chi-restraints excluded: chain A residue 3732 SER Chi-restraints excluded: chain A residue 3752 SER Chi-restraints excluded: chain A residue 3754 GLU Chi-restraints excluded: chain A residue 3756 LYS Chi-restraints excluded: chain A residue 3764 LEU Chi-restraints excluded: chain A residue 3772 THR Chi-restraints excluded: chain A residue 3779 VAL Chi-restraints excluded: chain A residue 3787 LYS Chi-restraints excluded: chain A residue 3795 SER Chi-restraints excluded: chain A residue 3803 SER Chi-restraints excluded: chain A residue 3822 ASP Chi-restraints excluded: chain A residue 3837 GLN Chi-restraints excluded: chain A residue 3869 GLN Chi-restraints excluded: chain A residue 3873 LYS Chi-restraints excluded: chain A residue 3875 MET Chi-restraints excluded: chain A residue 3893 GLU Chi-restraints excluded: chain A residue 3904 ARG Chi-restraints excluded: chain A residue 3907 THR Chi-restraints excluded: chain A residue 3916 ILE Chi-restraints excluded: chain A residue 3924 LEU Chi-restraints excluded: chain A residue 3929 SER Chi-restraints excluded: chain A residue 3930 ILE Chi-restraints excluded: chain A residue 3933 PHE Chi-restraints excluded: chain A residue 3938 SER Chi-restraints excluded: chain A residue 3942 VAL Chi-restraints excluded: chain A residue 3945 GLU Chi-restraints excluded: chain A residue 3952 SER Chi-restraints excluded: chain A residue 3969 ILE Chi-restraints excluded: chain A residue 3970 GLN Chi-restraints excluded: chain A residue 3995 VAL Chi-restraints excluded: chain A residue 4005 GLN Chi-restraints excluded: chain A residue 4008 SER Chi-restraints excluded: chain A residue 4012 LEU Chi-restraints excluded: chain A residue 4015 GLU Chi-restraints excluded: chain A residue 4018 ASP Chi-restraints excluded: chain A residue 4019 LEU 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 4048 LEU Chi-restraints excluded: chain A residue 4049 VAL Chi-restraints excluded: chain A residue 4051 SER Chi-restraints excluded: chain A residue 4052 SER Chi-restraints excluded: chain A residue 4053 SER Chi-restraints excluded: chain A residue 4055 VAL Chi-restraints excluded: chain A residue 4064 MET Chi-restraints excluded: chain A residue 4067 LYS Chi-restraints excluded: chain A residue 4072 VAL Chi-restraints excluded: chain A residue 4075 GLU Chi-restraints excluded: chain A residue 4100 GLN Chi-restraints excluded: chain A residue 4102 GLN Chi-restraints excluded: chain A residue 4107 GLU Chi-restraints excluded: chain A residue 4109 GLN Chi-restraints excluded: chain A residue 4110 PHE Chi-restraints excluded: chain A residue 4113 SER Chi-restraints excluded: chain A residue 4120 ASN Chi-restraints excluded: chain A residue 4127 GLU Chi-restraints excluded: chain A residue 4135 PRO Chi-restraints excluded: chain A residue 4139 ILE Chi-restraints excluded: chain A residue 4145 VAL Chi-restraints excluded: chain A residue 4154 VAL Chi-restraints excluded: chain A residue 4159 ARG Chi-restraints excluded: chain A residue 4170 ILE Chi-restraints excluded: chain A residue 4176 PRO Chi-restraints excluded: chain A residue 4178 LEU Chi-restraints excluded: chain A residue 4184 MET Chi-restraints excluded: chain A residue 4196 GLU Chi-restraints excluded: chain A residue 4200 THR Chi-restraints excluded: chain A residue 4202 ARG Chi-restraints excluded: chain A residue 4220 ASP Chi-restraints excluded: chain A residue 4221 VAL Chi-restraints excluded: chain A residue 4232 GLU Chi-restraints excluded: chain A residue 4242 ILE Chi-restraints excluded: chain A residue 4244 GLU Chi-restraints excluded: chain A residue 4251 ILE Chi-restraints excluded: chain A residue 4546 VAL 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 4565 LEU Chi-restraints excluded: chain A residue 4582 VAL Chi-restraints excluded: chain A residue 4632 LEU Chi-restraints excluded: chain A residue 4634 GLU Chi-restraints excluded: chain A residue 4645 CYS Chi-restraints excluded: chain A residue 4647 SER Chi-restraints excluded: chain A residue 4653 VAL Chi-restraints excluded: chain A residue 4662 ASN Chi-restraints excluded: chain A residue 4667 PRO Chi-restraints excluded: chain A residue 4669 VAL Chi-restraints excluded: chain A residue 4688 ILE Chi-restraints excluded: chain A residue 4689 THR Chi-restraints excluded: chain A residue 4694 ASP Chi-restraints excluded: chain A residue 4695 ASP Chi-restraints excluded: chain A residue 4698 LYS Chi-restraints excluded: chain A residue 4707 ASN Chi-restraints excluded: chain A residue 4710 SER Chi-restraints excluded: chain A residue 4718 LYS Chi-restraints excluded: chain A residue 4722 ARG Chi-restraints excluded: chain A residue 4737 ILE Chi-restraints excluded: chain A residue 4741 LEU Chi-restraints excluded: chain A residue 4743 MET Chi-restraints excluded: chain A residue 4766 THR Chi-restraints excluded: chain A residue 4788 SER Chi-restraints excluded: chain A residue 4796 MET Chi-restraints excluded: chain A residue 4816 ILE Chi-restraints excluded: chain A residue 4818 MET Chi-restraints excluded: chain A residue 4825 THR Chi-restraints excluded: chain A residue 4836 GLN Chi-restraints excluded: chain A residue 4838 VAL Chi-restraints excluded: chain A residue 4850 LEU Chi-restraints excluded: chain A residue 4879 MET Chi-restraints excluded: chain A residue 4880 MET Chi-restraints excluded: chain A residue 4881 THR Chi-restraints excluded: chain A residue 4901 ILE Chi-restraints excluded: chain A residue 4918 ILE Chi-restraints excluded: chain A residue 4919 THR Chi-restraints excluded: chain A residue 4948 GLU Chi-restraints excluded: chain A residue 4952 GLU Chi-restraints excluded: chain A residue 4954 MET Chi-restraints excluded: chain A residue 4956 THR Chi-restraints excluded: chain A residue 4961 CYS Chi-restraints excluded: chain A residue 4965 SER Chi-restraints excluded: chain A residue 4966 ASP Chi-restraints excluded: chain A residue 4980 LEU Chi-restraints excluded: chain A residue 4992 LEU Chi-restraints excluded: chain A residue 5002 GLU Chi-restraints excluded: chain A residue 5008 SER Chi-restraints excluded: chain A residue 5023 PRO Chi-restraints excluded: chain B residue 13 PHE Chi-restraints excluded: chain B residue 18 ASP Chi-restraints excluded: chain B residue 23 GLN Chi-restraints excluded: chain B residue 24 CYS Chi-restraints excluded: chain B residue 25 SER Chi-restraints excluded: chain B residue 28 VAL Chi-restraints excluded: chain B residue 32 GLN Chi-restraints excluded: chain B residue 35 LEU Chi-restraints excluded: chain B residue 47 CYS Chi-restraints excluded: chain B residue 54 ASN Chi-restraints excluded: chain B residue 58 VAL Chi-restraints excluded: chain B residue 66 CYS Chi-restraints excluded: chain B residue 75 VAL Chi-restraints excluded: chain B residue 78 LEU Chi-restraints excluded: chain B residue 81 MET Chi-restraints excluded: chain B residue 82 LEU Chi-restraints excluded: chain B residue 99 ARG Chi-restraints excluded: chain B residue 109 LEU Chi-restraints excluded: chain B residue 115 ARG Chi-restraints excluded: chain B residue 119 SER Chi-restraints excluded: chain B residue 120 CYS Chi-restraints excluded: chain B residue 125 ARG Chi-restraints excluded: chain B residue 128 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 146 CYS Chi-restraints excluded: chain B residue 149 THR Chi-restraints excluded: chain B residue 156 GLN Chi-restraints excluded: chain B residue 167 ASP Chi-restraints excluded: chain B residue 169 LEU Chi-restraints excluded: chain B residue 184 THR Chi-restraints excluded: chain B residue 188 GLU Chi-restraints excluded: chain B residue 190 GLN Chi-restraints excluded: chain B residue 197 GLN Chi-restraints excluded: chain B residue 202 MET Chi-restraints excluded: chain B residue 203 ASN Chi-restraints excluded: chain B residue 210 GLU Chi-restraints excluded: chain B residue 214 VAL Chi-restraints excluded: chain B residue 215 THR Chi-restraints excluded: chain B residue 218 HIS Chi-restraints excluded: chain B residue 220 LEU Chi-restraints excluded: chain B residue 232 THR Chi-restraints excluded: chain B residue 253 CYS Chi-restraints excluded: chain B residue 255 HIS Chi-restraints excluded: chain B residue 257 ARG Chi-restraints excluded: chain B residue 264 PRO Chi-restraints excluded: chain B residue 265 LEU Chi-restraints excluded: chain B residue 266 ARG Chi-restraints excluded: chain B residue 268 SER Chi-restraints excluded: chain B residue 272 SER Chi-restraints excluded: chain B residue 281 ARG Chi-restraints excluded: chain B residue 290 TYR Chi-restraints excluded: chain B residue 291 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 305 CYS Chi-restraints excluded: chain B residue 309 THR Chi-restraints excluded: chain B residue 310 LYS Chi-restraints excluded: chain B residue 312 THR Chi-restraints excluded: chain B residue 315 CYS Chi-restraints excluded: chain B residue 317 ARG Chi-restraints excluded: chain B residue 318 VAL Chi-restraints excluded: chain B residue 319 SER Chi-restraints excluded: chain B residue 320 LYS Chi-restraints excluded: chain B residue 321 GLU Chi-restraints excluded: chain B residue 322 LYS Chi-restraints excluded: chain B residue 346 CYS Chi-restraints excluded: chain B residue 348 VAL Chi-restraints excluded: chain B residue 353 SER Chi-restraints excluded: chain B residue 358 THR Chi-restraints excluded: chain B residue 359 TYR Chi-restraints excluded: chain B residue 384 MET Chi-restraints excluded: chain B residue 386 ASP Chi-restraints excluded: chain B residue 389 PHE Chi-restraints excluded: chain B residue 392 ARG Chi-restraints excluded: chain B residue 396 GLU Chi-restraints excluded: chain B residue 397 GLU Chi-restraints excluded: chain B residue 404 ILE Chi-restraints excluded: chain B residue 405 HIS Chi-restraints excluded: chain B residue 407 THR Chi-restraints excluded: chain B residue 420 SER Chi-restraints excluded: chain B residue 441 VAL Chi-restraints excluded: chain B residue 442 ILE Chi-restraints excluded: chain B residue 447 ASP Chi-restraints excluded: chain B residue 448 LEU Chi-restraints excluded: chain B residue 456 SER Chi-restraints excluded: chain B residue 470 SER Chi-restraints excluded: chain B residue 473 ASN Chi-restraints excluded: chain B residue 487 VAL Chi-restraints excluded: chain B residue 494 LEU Chi-restraints excluded: chain B residue 495 ASN Chi-restraints excluded: chain B residue 496 VAL Chi-restraints excluded: chain B residue 503 PHE Chi-restraints excluded: chain B residue 505 GLU Chi-restraints excluded: chain B residue 510 GLU Chi-restraints excluded: chain B residue 528 SER Chi-restraints excluded: chain B residue 529 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 540 PHE Chi-restraints excluded: chain B residue 545 ASP Chi-restraints excluded: chain B residue 549 SER Chi-restraints excluded: chain B residue 560 ILE Chi-restraints excluded: chain B residue 569 ILE Chi-restraints excluded: chain B residue 575 LEU Chi-restraints excluded: chain B residue 577 ILE Chi-restraints excluded: chain B residue 578 ILE Chi-restraints excluded: chain B residue 580 GLU Chi-restraints excluded: chain B residue 587 ILE Chi-restraints excluded: chain B residue 612 VAL Chi-restraints excluded: chain B residue 621 ILE Chi-restraints excluded: chain B residue 625 LEU Chi-restraints excluded: chain B residue 629 ARG Chi-restraints excluded: chain B residue 637 LEU Chi-restraints excluded: chain B residue 645 ARG Chi-restraints excluded: chain B residue 659 TYR Chi-restraints excluded: chain B residue 663 TYR Chi-restraints excluded: chain B residue 667 MET Chi-restraints excluded: chain B residue 672 VAL Chi-restraints excluded: chain B residue 675 LEU 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 705 ASN Chi-restraints excluded: chain B residue 707 VAL Chi-restraints excluded: chain B residue 709 ASP Chi-restraints excluded: chain B residue 710 ASP Chi-restraints excluded: chain B residue 714 TYR Chi-restraints excluded: chain B residue 723 THR Chi-restraints excluded: chain B residue 725 HIS Chi-restraints excluded: chain B residue 730 VAL Chi-restraints excluded: chain B residue 751 SER Chi-restraints excluded: chain B residue 752 VAL Chi-restraints excluded: chain B residue 755 ILE Chi-restraints excluded: chain B residue 756 SER Chi-restraints excluded: chain B residue 758 ARG Chi-restraints excluded: chain B residue 760 ASN Chi-restraints excluded: chain B residue 768 PHE Chi-restraints excluded: chain B residue 773 LEU Chi-restraints excluded: chain B residue 781 VAL Chi-restraints excluded: chain B residue 788 LYS Chi-restraints excluded: chain B residue 800 PHE Chi-restraints excluded: chain B residue 801 LYS Chi-restraints excluded: chain B residue 822 ARG Chi-restraints excluded: chain B residue 823 LEU Chi-restraints excluded: chain B residue 826 ILE Chi-restraints excluded: chain B residue 831 ARG Chi-restraints excluded: chain B residue 840 VAL Chi-restraints excluded: chain B residue 866 HIS Chi-restraints excluded: chain B residue 925 SER Chi-restraints excluded: chain B residue 933 LEU Chi-restraints excluded: chain B residue 961 MET Chi-restraints excluded: chain B residue 974 HIS Chi-restraints excluded: chain B residue 977 LEU Chi-restraints excluded: chain B residue 993 HIS Chi-restraints excluded: chain B residue 1043 VAL Chi-restraints excluded: chain B residue 1072 VAL Chi-restraints excluded: chain B residue 1074 ILE Chi-restraints excluded: chain B residue 1085 SER Chi-restraints excluded: chain B residue 1093 GLU Chi-restraints excluded: chain B residue 1095 VAL Chi-restraints excluded: chain B residue 1113 VAL Chi-restraints excluded: chain B residue 1114 GLU Chi-restraints excluded: chain B residue 1127 HIS Chi-restraints excluded: chain B residue 1131 ARG Chi-restraints excluded: chain B residue 1137 GLU Chi-restraints excluded: chain B residue 1143 TRP Chi-restraints excluded: chain B residue 1145 SER Chi-restraints excluded: chain B residue 1147 ASP Chi-restraints excluded: chain B residue 1151 CYS Chi-restraints excluded: chain B residue 1152 MET Chi-restraints excluded: chain B residue 1153 ILE Chi-restraints excluded: chain B residue 1154 ASP Chi-restraints excluded: chain B residue 1155 LEU Chi-restraints excluded: chain B residue 1162 PHE Chi-restraints excluded: chain B residue 1163 THR Chi-restraints excluded: chain B residue 1164 LEU Chi-restraints excluded: chain B residue 1168 VAL Chi-restraints excluded: chain B residue 1169 LEU Chi-restraints excluded: chain B residue 1173 SER Chi-restraints excluded: chain B residue 1182 ILE Chi-restraints excluded: chain B residue 1190 PRO Chi-restraints excluded: chain B residue 1192 CYS Chi-restraints excluded: chain B residue 1193 SER Chi-restraints excluded: chain B residue 1198 GLN Chi-restraints excluded: chain B residue 1202 LEU Chi-restraints excluded: chain B residue 1204 LEU Chi-restraints excluded: chain B residue 1208 VAL Chi-restraints excluded: chain B residue 1216 ILE Chi-restraints excluded: chain B residue 1219 LEU Chi-restraints excluded: chain B residue 1221 GLU Chi-restraints excluded: chain B residue 1229 ASN Chi-restraints excluded: chain B residue 1234 VAL Chi-restraints excluded: chain B residue 1238 PHE Chi-restraints excluded: chain B residue 1241 SER 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 1259 ARG Chi-restraints excluded: chain B residue 1269 CYS Chi-restraints excluded: chain B residue 1271 ARG Chi-restraints excluded: chain B residue 1272 LEU Chi-restraints excluded: chain B residue 1282 SER Chi-restraints excluded: chain B residue 1287 LEU Chi-restraints excluded: chain B residue 1431 THR Chi-restraints excluded: chain B residue 1432 THR Chi-restraints excluded: chain B residue 1437 VAL Chi-restraints excluded: chain B residue 1453 VAL Chi-restraints excluded: chain B residue 1460 HIS Chi-restraints excluded: chain B residue 1467 SER Chi-restraints excluded: chain B residue 1469 VAL Chi-restraints excluded: chain B residue 1485 SER Chi-restraints excluded: chain B residue 1486 SER Chi-restraints excluded: chain B residue 1489 CYS Chi-restraints excluded: chain B residue 1576 SER Chi-restraints excluded: chain B residue 1580 PHE Chi-restraints excluded: chain B residue 1581 LEU Chi-restraints excluded: chain B residue 1583 GLU 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 1603 VAL Chi-restraints excluded: chain B residue 1607 ARG Chi-restraints excluded: chain B residue 1628 VAL Chi-restraints excluded: chain B residue 1632 ASP Chi-restraints excluded: chain B residue 1634 LEU Chi-restraints excluded: chain B residue 1636 MET Chi-restraints excluded: chain B residue 1642 PRO Chi-restraints excluded: chain B residue 1647 CYS Chi-restraints excluded: chain B residue 1657 LEU Chi-restraints excluded: chain B residue 1666 THR Chi-restraints excluded: chain B residue 1668 ARG Chi-restraints excluded: chain B residue 1673 VAL Chi-restraints excluded: chain B residue 1679 ASN Chi-restraints excluded: chain B residue 1685 LEU Chi-restraints excluded: chain B residue 1687 SER Chi-restraints excluded: chain B residue 1689 VAL Chi-restraints excluded: chain B residue 1698 LEU Chi-restraints excluded: chain B residue 1699 GLU Chi-restraints excluded: chain B residue 1700 ASP Chi-restraints excluded: chain B residue 1704 PRO Chi-restraints excluded: chain B residue 1706 PRO Chi-restraints excluded: chain B residue 1717 SER Chi-restraints excluded: chain B residue 1733 GLU Chi-restraints excluded: chain B residue 1736 VAL Chi-restraints excluded: chain B residue 1738 LEU Chi-restraints excluded: chain B residue 1739 THR Chi-restraints excluded: chain B residue 1759 ARG Chi-restraints excluded: chain B residue 1770 SER Chi-restraints excluded: chain B residue 1771 LEU 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 1802 ILE Chi-restraints excluded: chain B residue 1812 LEU Chi-restraints excluded: chain B residue 1815 LEU Chi-restraints excluded: chain B residue 1830 VAL Chi-restraints excluded: chain B residue 1834 VAL Chi-restraints excluded: chain B residue 1835 GLU Chi-restraints excluded: chain B residue 1837 GLN Chi-restraints excluded: chain B residue 1849 LEU Chi-restraints excluded: chain B residue 1857 GLU Chi-restraints excluded: chain B residue 1858 ASP Chi-restraints excluded: chain B residue 1863 LEU Chi-restraints excluded: chain B residue 1869 GLU Chi-restraints excluded: chain B residue 1870 VAL Chi-restraints excluded: chain B residue 1929 MET Chi-restraints excluded: chain B residue 1934 SER Chi-restraints excluded: chain B residue 1955 VAL Chi-restraints excluded: chain B residue 1957 SER Chi-restraints excluded: chain B residue 1961 PHE Chi-restraints excluded: chain B residue 1966 VAL Chi-restraints excluded: chain B residue 1969 LEU Chi-restraints excluded: chain B residue 1981 MET Chi-restraints excluded: chain B residue 1993 ARG Chi-restraints excluded: chain B residue 1995 THR Chi-restraints excluded: chain B residue 1996 ARG Chi-restraints excluded: chain B residue 2020 ASP Chi-restraints excluded: chain B residue 2027 ILE Chi-restraints excluded: chain B residue 2037 ASP Chi-restraints excluded: chain B residue 2039 LEU Chi-restraints excluded: chain B residue 2090 LYS Chi-restraints excluded: chain B residue 2093 SER Chi-restraints excluded: chain B residue 2094 LEU Chi-restraints excluded: chain B residue 2095 GLN Chi-restraints excluded: chain B residue 2097 LEU Chi-restraints excluded: chain B residue 2098 VAL Chi-restraints excluded: chain B residue 2100 HIS Chi-restraints excluded: chain B residue 2111 VAL Chi-restraints excluded: chain B residue 2122 SER Chi-restraints excluded: chain B residue 2136 ARG Chi-restraints excluded: chain B residue 2143 THR Chi-restraints excluded: chain B residue 2148 SER Chi-restraints excluded: chain B residue 2152 THR Chi-restraints excluded: chain B residue 2156 LEU Chi-restraints excluded: chain B residue 2161 GLN Chi-restraints excluded: chain B residue 2166 LEU Chi-restraints excluded: chain B residue 2167 ILE Chi-restraints excluded: chain B residue 2169 GLN Chi-restraints excluded: chain B residue 2170 MET Chi-restraints excluded: chain B residue 2175 GLU Chi-restraints excluded: chain B residue 2186 MET Chi-restraints excluded: chain B residue 2187 ASN Chi-restraints excluded: chain B residue 2197 LEU Chi-restraints excluded: chain B residue 2199 ARG Chi-restraints excluded: chain B residue 2225 PHE Chi-restraints excluded: chain B residue 2227 LYS Chi-restraints excluded: chain B residue 2228 MET Chi-restraints excluded: chain B residue 2229 VAL Chi-restraints excluded: chain B residue 2230 THR Chi-restraints excluded: chain B residue 2231 SER Chi-restraints excluded: chain B residue 2238 TYR Chi-restraints excluded: chain B residue 2241 ARG Chi-restraints excluded: chain B residue 2242 ILE Chi-restraints excluded: chain B residue 2244 ARG Chi-restraints excluded: chain B residue 2270 SER Chi-restraints excluded: chain B residue 2274 ASP Chi-restraints excluded: chain B residue 2275 VAL Chi-restraints excluded: chain B residue 2280 VAL Chi-restraints excluded: chain B residue 2281 ILE Chi-restraints excluded: chain B residue 2290 LEU Chi-restraints excluded: chain B residue 2294 ASP Chi-restraints excluded: chain B residue 2295 LEU Chi-restraints excluded: chain B residue 2296 GLU Chi-restraints excluded: chain B residue 2299 VAL Chi-restraints excluded: chain B residue 2312 MET Chi-restraints excluded: chain B residue 2324 ASN Chi-restraints excluded: chain B residue 2333 ASP Chi-restraints excluded: chain B residue 2336 ARG Chi-restraints excluded: chain B residue 2341 VAL Chi-restraints excluded: chain B residue 2346 VAL Chi-restraints excluded: chain B residue 2352 VAL Chi-restraints excluded: chain B residue 2353 VAL Chi-restraints excluded: chain B residue 2368 LEU Chi-restraints excluded: chain B residue 2371 GLU Chi-restraints excluded: chain B residue 2377 LEU Chi-restraints excluded: chain B residue 2387 SER Chi-restraints excluded: chain B residue 2416 VAL Chi-restraints excluded: chain B residue 2423 MET Chi-restraints excluded: chain B residue 2430 ILE Chi-restraints excluded: chain B residue 2442 LEU Chi-restraints excluded: chain B residue 2454 ARG Chi-restraints excluded: chain B residue 2460 LEU Chi-restraints excluded: chain B residue 2461 VAL Chi-restraints excluded: chain B residue 2474 LEU Chi-restraints excluded: chain B residue 2478 THR Chi-restraints excluded: chain B residue 2479 LEU Chi-restraints excluded: chain B residue 3646 THR Chi-restraints excluded: chain B residue 3652 MET Chi-restraints excluded: chain B residue 3656 SER Chi-restraints excluded: chain B residue 3662 ILE Chi-restraints excluded: chain B residue 3667 HIS Chi-restraints excluded: chain B residue 3678 SER Chi-restraints excluded: chain B residue 3696 ASP Chi-restraints excluded: chain B residue 3707 ARG Chi-restraints excluded: chain B residue 3711 THR Chi-restraints excluded: chain B residue 3719 ASP Chi-restraints excluded: chain B residue 3732 SER Chi-restraints excluded: chain B residue 3733 CYS Chi-restraints excluded: chain B residue 3752 SER Chi-restraints excluded: chain B residue 3754 GLU Chi-restraints excluded: chain B residue 3764 LEU Chi-restraints excluded: chain B residue 3772 THR Chi-restraints excluded: chain B residue 3779 VAL Chi-restraints excluded: chain B residue 3787 LYS Chi-restraints excluded: chain B residue 3793 MET Chi-restraints excluded: chain B residue 3795 SER Chi-restraints excluded: chain B residue 3803 SER Chi-restraints excluded: chain B residue 3822 ASP Chi-restraints excluded: chain B residue 3837 GLN Chi-restraints excluded: chain B residue 3841 VAL Chi-restraints excluded: chain B residue 3869 GLN Chi-restraints excluded: chain B residue 3872 GLU Chi-restraints excluded: chain B residue 3893 GLU Chi-restraints excluded: chain B residue 3904 ARG Chi-restraints excluded: chain B residue 3907 THR Chi-restraints excluded: chain B residue 3916 ILE Chi-restraints excluded: chain B residue 3924 LEU Chi-restraints excluded: chain B residue 3929 SER Chi-restraints excluded: chain B residue 3930 ILE Chi-restraints excluded: chain B residue 3933 PHE Chi-restraints excluded: chain B residue 3938 SER Chi-restraints excluded: chain B residue 3942 VAL Chi-restraints excluded: chain B residue 3945 GLU Chi-restraints excluded: chain B residue 3952 SER Chi-restraints excluded: chain B residue 3969 ILE Chi-restraints excluded: chain B residue 3970 GLN Chi-restraints excluded: chain B residue 3995 VAL Chi-restraints excluded: chain B residue 4005 GLN Chi-restraints excluded: chain B residue 4008 SER Chi-restraints excluded: chain B residue 4012 LEU Chi-restraints excluded: chain B residue 4014 LYS Chi-restraints excluded: chain B residue 4018 ASP 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 4048 LEU Chi-restraints excluded: chain B residue 4049 VAL Chi-restraints excluded: chain B residue 4051 SER Chi-restraints excluded: chain B residue 4052 SER Chi-restraints excluded: chain B residue 4053 SER Chi-restraints excluded: chain B residue 4055 VAL Chi-restraints excluded: chain B residue 4064 MET Chi-restraints excluded: chain B residue 4067 LYS Chi-restraints excluded: chain B residue 4072 VAL Chi-restraints excluded: chain B residue 4075 GLU Chi-restraints excluded: chain B residue 4082 THR Chi-restraints excluded: chain B residue 4087 LEU Chi-restraints excluded: chain B residue 4088 ILE Chi-restraints excluded: chain B residue 4089 SER Chi-restraints excluded: chain B residue 4098 ASP Chi-restraints excluded: chain B residue 4106 PRO Chi-restraints excluded: chain B residue 4107 GLU Chi-restraints excluded: chain B residue 4109 GLN Chi-restraints excluded: chain B residue 4110 PHE Chi-restraints excluded: chain B residue 4120 ASN Chi-restraints excluded: chain B residue 4125 PHE Chi-restraints excluded: chain B residue 4127 GLU Chi-restraints excluded: chain B residue 4135 PRO Chi-restraints excluded: chain B residue 4139 ILE Chi-restraints excluded: chain B residue 4145 VAL Chi-restraints excluded: chain B residue 4154 VAL Chi-restraints excluded: chain B residue 4159 ARG Chi-restraints excluded: chain B residue 4170 ILE Chi-restraints excluded: chain B residue 4178 LEU Chi-restraints excluded: chain B residue 4184 MET Chi-restraints excluded: chain B residue 4196 GLU Chi-restraints excluded: chain B residue 4200 THR Chi-restraints excluded: chain B residue 4202 ARG Chi-restraints excluded: chain B residue 4220 ASP Chi-restraints excluded: chain B residue 4221 VAL Chi-restraints excluded: chain B residue 4232 GLU Chi-restraints excluded: chain B residue 4242 ILE Chi-restraints excluded: chain B residue 4244 GLU Chi-restraints excluded: chain B residue 4251 ILE Chi-restraints excluded: chain B residue 4546 VAL 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 4582 VAL Chi-restraints excluded: chain B residue 4632 LEU Chi-restraints excluded: chain B residue 4634 GLU Chi-restraints excluded: chain B residue 4645 CYS Chi-restraints excluded: chain B residue 4647 SER Chi-restraints excluded: chain B residue 4653 VAL Chi-restraints excluded: chain B residue 4662 ASN Chi-restraints excluded: chain B residue 4667 PRO Chi-restraints excluded: chain B residue 4669 VAL Chi-restraints excluded: chain B residue 4688 ILE Chi-restraints excluded: chain B residue 4689 THR Chi-restraints excluded: chain B residue 4696 ASP Chi-restraints excluded: chain B residue 4697 VAL Chi-restraints excluded: chain B residue 4698 LYS Chi-restraints excluded: chain B residue 4707 ASN Chi-restraints excluded: chain B residue 4710 SER Chi-restraints excluded: chain B residue 4718 LYS Chi-restraints excluded: chain B residue 4722 ARG Chi-restraints excluded: chain B residue 4737 ILE Chi-restraints excluded: chain B residue 4741 LEU Chi-restraints excluded: chain B residue 4743 MET Chi-restraints excluded: chain B residue 4766 THR Chi-restraints excluded: chain B residue 4788 SER Chi-restraints excluded: chain B residue 4796 MET Chi-restraints excluded: chain B residue 4816 ILE Chi-restraints excluded: chain B residue 4818 MET Chi-restraints excluded: chain B residue 4825 THR Chi-restraints excluded: chain B residue 4836 GLN Chi-restraints excluded: chain B residue 4838 VAL Chi-restraints excluded: chain B residue 4850 LEU Chi-restraints excluded: chain B residue 4879 MET Chi-restraints excluded: chain B residue 4880 MET Chi-restraints excluded: chain B residue 4881 THR Chi-restraints excluded: chain B residue 4901 ILE Chi-restraints excluded: chain B residue 4918 ILE Chi-restraints excluded: chain B residue 4919 THR Chi-restraints excluded: chain B residue 4948 GLU Chi-restraints excluded: chain B residue 4952 GLU Chi-restraints excluded: chain B residue 4954 MET Chi-restraints excluded: chain B residue 4956 THR Chi-restraints excluded: chain B residue 4961 CYS Chi-restraints excluded: chain B residue 4965 SER Chi-restraints excluded: chain B residue 4966 ASP Chi-restraints excluded: chain B residue 4970 THR Chi-restraints excluded: chain B residue 4980 LEU Chi-restraints excluded: chain B residue 4992 LEU Chi-restraints excluded: chain B residue 5002 GLU Chi-restraints excluded: chain B residue 5023 PRO Chi-restraints excluded: chain C residue 13 PHE Chi-restraints excluded: chain C residue 18 ASP Chi-restraints excluded: chain C residue 24 CYS Chi-restraints excluded: chain C residue 25 SER Chi-restraints excluded: chain C residue 28 VAL Chi-restraints excluded: chain C residue 32 GLN Chi-restraints excluded: chain C residue 35 LEU Chi-restraints excluded: chain C residue 47 CYS Chi-restraints excluded: chain C residue 54 ASN Chi-restraints excluded: chain C residue 66 CYS Chi-restraints excluded: chain C residue 75 VAL Chi-restraints excluded: chain C residue 78 LEU Chi-restraints excluded: chain C residue 81 MET Chi-restraints excluded: chain C residue 82 LEU Chi-restraints excluded: chain C residue 99 ARG Chi-restraints excluded: chain C residue 109 LEU Chi-restraints excluded: chain C residue 115 ARG Chi-restraints excluded: chain C residue 119 SER Chi-restraints excluded: chain C residue 120 CYS Chi-restraints excluded: chain C residue 125 ARG Chi-restraints excluded: chain C residue 128 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 146 CYS Chi-restraints excluded: chain C residue 149 THR Chi-restraints excluded: chain C residue 156 GLN Chi-restraints excluded: chain C residue 167 ASP Chi-restraints excluded: chain C residue 169 LEU Chi-restraints excluded: chain C residue 184 THR Chi-restraints excluded: chain C residue 188 GLU Chi-restraints excluded: chain C residue 190 GLN Chi-restraints excluded: chain C residue 197 GLN Chi-restraints excluded: chain C residue 202 MET Chi-restraints excluded: chain C residue 203 ASN Chi-restraints excluded: chain C residue 210 GLU Chi-restraints excluded: chain C residue 214 VAL Chi-restraints excluded: chain C residue 215 THR Chi-restraints excluded: chain C residue 218 HIS Chi-restraints excluded: chain C residue 220 LEU Chi-restraints excluded: chain C residue 232 THR Chi-restraints excluded: chain C residue 253 CYS Chi-restraints excluded: chain C residue 255 HIS Chi-restraints excluded: chain C residue 257 ARG Chi-restraints excluded: chain C residue 258 SER Chi-restraints excluded: chain C residue 264 PRO Chi-restraints excluded: chain C residue 265 LEU Chi-restraints excluded: chain C residue 266 ARG Chi-restraints excluded: chain C residue 268 SER Chi-restraints excluded: chain C residue 272 SER Chi-restraints excluded: chain C residue 276 TRP Chi-restraints excluded: chain C residue 281 ARG Chi-restraints excluded: chain C residue 286 THR Chi-restraints excluded: chain C residue 290 TYR Chi-restraints excluded: chain C residue 291 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 305 CYS Chi-restraints excluded: chain C residue 309 THR Chi-restraints excluded: chain C residue 312 THR Chi-restraints excluded: chain C residue 315 CYS Chi-restraints excluded: chain C residue 317 ARG Chi-restraints excluded: chain C residue 318 VAL Chi-restraints excluded: chain C residue 319 SER Chi-restraints excluded: chain C residue 320 LYS Chi-restraints excluded: chain C residue 321 GLU Chi-restraints excluded: chain C residue 322 LYS Chi-restraints excluded: chain C residue 346 CYS Chi-restraints excluded: chain C residue 348 VAL Chi-restraints excluded: chain C residue 353 SER Chi-restraints excluded: chain C residue 358 THR Chi-restraints excluded: chain C residue 359 TYR Chi-restraints excluded: chain C residue 384 MET Chi-restraints excluded: chain C residue 386 ASP Chi-restraints excluded: chain C residue 389 PHE Chi-restraints excluded: chain C residue 392 ARG Chi-restraints excluded: chain C residue 396 GLU Chi-restraints excluded: chain C residue 397 GLU Chi-restraints excluded: chain C residue 404 ILE Chi-restraints excluded: chain C residue 405 HIS Chi-restraints excluded: chain C residue 407 THR Chi-restraints excluded: chain C residue 420 SER Chi-restraints excluded: chain C residue 441 VAL Chi-restraints excluded: chain C residue 442 ILE Chi-restraints excluded: chain C residue 447 ASP Chi-restraints excluded: chain C residue 448 LEU Chi-restraints excluded: chain C residue 456 SER Chi-restraints excluded: chain C residue 470 SER Chi-restraints excluded: chain C residue 477 LEU Chi-restraints excluded: chain C residue 481 GLU Chi-restraints excluded: chain C residue 484 LEU Chi-restraints excluded: chain C residue 487 VAL Chi-restraints excluded: chain C residue 494 LEU Chi-restraints excluded: chain C residue 495 ASN Chi-restraints excluded: chain C residue 503 PHE Chi-restraints excluded: chain C residue 505 GLU Chi-restraints excluded: chain C residue 528 SER 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 540 PHE Chi-restraints excluded: chain C residue 545 ASP Chi-restraints excluded: chain C residue 549 SER Chi-restraints excluded: chain C residue 551 LEU Chi-restraints excluded: chain C residue 552 ASP Chi-restraints excluded: chain C residue 560 ILE Chi-restraints excluded: chain C residue 569 ILE Chi-restraints excluded: chain C residue 575 LEU Chi-restraints excluded: chain C residue 577 ILE Chi-restraints excluded: chain C residue 578 ILE Chi-restraints excluded: chain C residue 580 GLU Chi-restraints excluded: chain C residue 587 ILE Chi-restraints excluded: chain C residue 590 LEU Chi-restraints excluded: chain C residue 593 HIS Chi-restraints excluded: chain C residue 605 SER Chi-restraints excluded: chain C residue 612 VAL Chi-restraints excluded: chain C residue 621 ILE Chi-restraints excluded: chain C residue 625 LEU Chi-restraints excluded: chain C residue 629 ARG Chi-restraints excluded: chain C residue 637 LEU Chi-restraints excluded: chain C residue 652 ARG Chi-restraints excluded: chain C residue 659 TYR Chi-restraints excluded: chain C residue 663 TYR Chi-restraints excluded: chain C residue 667 MET Chi-restraints excluded: chain C residue 672 VAL Chi-restraints excluded: chain C residue 675 LEU 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 707 VAL Chi-restraints excluded: chain C residue 709 ASP Chi-restraints excluded: chain C residue 710 ASP Chi-restraints excluded: chain C residue 723 THR Chi-restraints excluded: chain C residue 730 VAL Chi-restraints excluded: chain C residue 736 HIS Chi-restraints excluded: chain C residue 751 SER Chi-restraints excluded: chain C residue 752 VAL Chi-restraints excluded: chain C residue 755 ILE Chi-restraints excluded: chain C residue 756 SER Chi-restraints excluded: chain C residue 760 ASN Chi-restraints excluded: chain C residue 767 VAL Chi-restraints excluded: chain C residue 768 PHE Chi-restraints excluded: chain C residue 773 LEU Chi-restraints excluded: chain C residue 778 PHE Chi-restraints excluded: chain C residue 781 VAL Chi-restraints excluded: chain C residue 788 LYS Chi-restraints excluded: chain C residue 800 PHE Chi-restraints excluded: chain C residue 801 LYS Chi-restraints excluded: chain C residue 822 ARG Chi-restraints excluded: chain C residue 826 ILE Chi-restraints excluded: chain C residue 831 ARG Chi-restraints excluded: chain C residue 840 VAL Chi-restraints excluded: chain C residue 924 MET Chi-restraints excluded: chain C residue 925 SER Chi-restraints excluded: chain C residue 933 LEU Chi-restraints excluded: chain C residue 961 MET Chi-restraints excluded: chain C residue 1043 VAL Chi-restraints excluded: chain C residue 1072 VAL Chi-restraints excluded: chain C residue 1074 ILE Chi-restraints excluded: chain C residue 1085 SER Chi-restraints excluded: chain C residue 1093 GLU Chi-restraints excluded: chain C residue 1095 VAL Chi-restraints excluded: chain C residue 1113 VAL Chi-restraints excluded: chain C residue 1123 VAL Chi-restraints excluded: chain C residue 1127 HIS Chi-restraints excluded: chain C residue 1131 ARG Chi-restraints excluded: chain C residue 1137 GLU Chi-restraints excluded: chain C residue 1141 ARG Chi-restraints excluded: chain C residue 1143 TRP Chi-restraints excluded: chain C residue 1145 SER Chi-restraints excluded: chain C residue 1147 ASP Chi-restraints excluded: chain C residue 1151 CYS Chi-restraints excluded: chain C residue 1152 MET Chi-restraints excluded: chain C residue 1153 ILE Chi-restraints excluded: chain C residue 1154 ASP Chi-restraints excluded: chain C residue 1155 LEU Chi-restraints excluded: chain C residue 1163 THR Chi-restraints excluded: chain C residue 1164 LEU Chi-restraints excluded: chain C residue 1168 VAL Chi-restraints excluded: chain C residue 1171 SER Chi-restraints excluded: chain C residue 1173 SER Chi-restraints excluded: chain C residue 1182 ILE Chi-restraints excluded: chain C residue 1190 PRO Chi-restraints excluded: chain C residue 1192 CYS Chi-restraints excluded: chain C residue 1193 SER Chi-restraints excluded: chain C residue 1198 GLN Chi-restraints excluded: chain C residue 1202 LEU Chi-restraints excluded: chain C residue 1204 LEU Chi-restraints excluded: chain C residue 1208 VAL Chi-restraints excluded: chain C residue 1219 LEU Chi-restraints excluded: chain C residue 1221 GLU Chi-restraints excluded: chain C residue 1234 VAL Chi-restraints excluded: chain C residue 1238 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 1259 ARG Chi-restraints excluded: chain C residue 1269 CYS Chi-restraints excluded: chain C residue 1271 ARG Chi-restraints excluded: chain C residue 1272 LEU Chi-restraints excluded: chain C residue 1282 SER Chi-restraints excluded: chain C residue 1283 LEU Chi-restraints excluded: chain C residue 1287 LEU Chi-restraints excluded: chain C residue 1431 THR Chi-restraints excluded: chain C residue 1432 THR Chi-restraints excluded: chain C residue 1437 VAL Chi-restraints excluded: chain C residue 1444 GLU Chi-restraints excluded: chain C residue 1457 TYR Chi-restraints excluded: chain C residue 1460 HIS Chi-restraints excluded: chain C residue 1462 MET Chi-restraints excluded: chain C residue 1466 LEU Chi-restraints excluded: chain C residue 1469 VAL Chi-restraints excluded: chain C residue 1472 VAL Chi-restraints excluded: chain C residue 1485 SER Chi-restraints excluded: chain C residue 1486 SER Chi-restraints excluded: chain C residue 1576 SER Chi-restraints excluded: chain C residue 1580 PHE Chi-restraints excluded: chain C residue 1597 VAL Chi-restraints excluded: chain C residue 1600 LEU Chi-restraints excluded: chain C residue 1603 VAL Chi-restraints excluded: chain C residue 1607 ARG Chi-restraints excluded: chain C residue 1628 VAL Chi-restraints excluded: chain C residue 1632 ASP Chi-restraints excluded: chain C residue 1634 LEU Chi-restraints excluded: chain C residue 1642 PRO Chi-restraints excluded: chain C residue 1647 CYS Chi-restraints excluded: chain C residue 1657 LEU Chi-restraints excluded: chain C residue 1666 THR Chi-restraints excluded: chain C residue 1668 ARG 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 1685 LEU Chi-restraints excluded: chain C residue 1687 SER Chi-restraints excluded: chain C residue 1689 VAL Chi-restraints excluded: chain C residue 1698 LEU Chi-restraints excluded: chain C residue 1699 GLU Chi-restraints excluded: chain C residue 1700 ASP Chi-restraints excluded: chain C residue 1704 PRO Chi-restraints excluded: chain C residue 1706 PRO Chi-restraints excluded: chain C residue 1717 SER Chi-restraints excluded: chain C residue 1733 GLU Chi-restraints excluded: chain C residue 1736 VAL Chi-restraints excluded: chain C residue 1738 LEU Chi-restraints excluded: chain C residue 1739 THR Chi-restraints excluded: chain C residue 1760 HIS 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 1802 ILE Chi-restraints excluded: chain C residue 1812 LEU Chi-restraints excluded: chain C residue 1815 LEU Chi-restraints excluded: chain C residue 1830 VAL Chi-restraints excluded: chain C residue 1834 VAL Chi-restraints excluded: chain C residue 1837 GLN Chi-restraints excluded: chain C residue 1849 LEU Chi-restraints excluded: chain C residue 1857 GLU Chi-restraints excluded: chain C residue 1858 ASP Chi-restraints excluded: chain C residue 1869 GLU Chi-restraints excluded: chain C residue 1872 THR Chi-restraints excluded: chain C residue 1873 GLU Chi-restraints excluded: chain C residue 1929 MET Chi-restraints excluded: chain C residue 1930 LYS Chi-restraints excluded: chain C residue 1934 SER Chi-restraints excluded: chain C residue 1955 VAL Chi-restraints excluded: chain C residue 1957 SER Chi-restraints excluded: chain C residue 1961 PHE Chi-restraints excluded: chain C residue 1966 VAL Chi-restraints excluded: chain C residue 1969 LEU Chi-restraints excluded: chain C residue 1981 MET Chi-restraints excluded: chain C residue 1987 SER Chi-restraints excluded: chain C residue 1993 ARG Chi-restraints excluded: chain C residue 1995 THR Chi-restraints excluded: chain C residue 2020 ASP Chi-restraints excluded: chain C residue 2027 ILE Chi-restraints excluded: chain C residue 2037 ASP Chi-restraints excluded: chain C residue 2039 LEU Chi-restraints excluded: chain C residue 2044 ILE Chi-restraints excluded: chain C residue 2093 SER Chi-restraints excluded: chain C residue 2094 LEU Chi-restraints excluded: chain C residue 2095 GLN Chi-restraints excluded: chain C residue 2097 LEU Chi-restraints excluded: chain C residue 2098 VAL Chi-restraints excluded: chain C residue 2111 VAL Chi-restraints excluded: chain C residue 2122 SER Chi-restraints excluded: chain C residue 2136 ARG Chi-restraints excluded: chain C residue 2143 THR Chi-restraints excluded: chain C residue 2148 SER Chi-restraints excluded: chain C residue 2156 LEU Chi-restraints excluded: chain C residue 2161 GLN Chi-restraints excluded: chain C residue 2166 LEU Chi-restraints excluded: chain C residue 2167 ILE Chi-restraints excluded: chain C residue 2169 GLN Chi-restraints excluded: chain C residue 2170 MET Chi-restraints excluded: chain C residue 2175 GLU Chi-restraints excluded: chain C residue 2186 MET Chi-restraints excluded: chain C residue 2187 ASN Chi-restraints excluded: chain C residue 2197 LEU Chi-restraints excluded: chain C residue 2199 ARG Chi-restraints excluded: chain C residue 2227 LYS Chi-restraints excluded: chain C residue 2228 MET Chi-restraints excluded: chain C residue 2229 VAL Chi-restraints excluded: chain C residue 2230 THR Chi-restraints excluded: chain C residue 2231 SER Chi-restraints excluded: chain C residue 2238 TYR Chi-restraints excluded: chain C residue 2241 ARG Chi-restraints excluded: chain C residue 2242 ILE Chi-restraints excluded: chain C residue 2244 ARG Chi-restraints excluded: chain C residue 2270 SER Chi-restraints excluded: chain C residue 2274 ASP Chi-restraints excluded: chain C residue 2275 VAL Chi-restraints excluded: chain C residue 2280 VAL Chi-restraints excluded: chain C residue 2281 ILE Chi-restraints excluded: chain C residue 2290 LEU Chi-restraints excluded: chain C residue 2293 GLN Chi-restraints excluded: chain C residue 2294 ASP Chi-restraints excluded: chain C residue 2295 LEU Chi-restraints excluded: chain C residue 2296 GLU Chi-restraints excluded: chain C residue 2299 VAL Chi-restraints excluded: chain C residue 2300 SER Chi-restraints excluded: chain C residue 2312 MET Chi-restraints excluded: chain C residue 2324 ASN Chi-restraints excluded: chain C residue 2333 ASP Chi-restraints excluded: chain C residue 2336 ARG Chi-restraints excluded: chain C residue 2341 VAL Chi-restraints excluded: chain C residue 2346 VAL Chi-restraints excluded: chain C residue 2353 VAL Chi-restraints excluded: chain C residue 2368 LEU Chi-restraints excluded: chain C residue 2371 GLU Chi-restraints excluded: chain C residue 2377 LEU Chi-restraints excluded: chain C residue 2387 SER Chi-restraints excluded: chain C residue 2416 VAL Chi-restraints excluded: chain C residue 2423 MET Chi-restraints excluded: chain C residue 2430 ILE Chi-restraints excluded: chain C residue 2442 LEU Chi-restraints excluded: chain C residue 2454 ARG Chi-restraints excluded: chain C residue 2460 LEU Chi-restraints excluded: chain C residue 2461 VAL Chi-restraints excluded: chain C residue 2474 LEU Chi-restraints excluded: chain C residue 2479 LEU Chi-restraints excluded: chain C residue 3646 THR Chi-restraints excluded: chain C residue 3652 MET Chi-restraints excluded: chain C residue 3656 SER Chi-restraints excluded: chain C residue 3661 TRP Chi-restraints excluded: chain C residue 3662 ILE Chi-restraints excluded: chain C residue 3669 PHE Chi-restraints excluded: chain C residue 3670 GLU Chi-restraints excluded: chain C residue 3678 SER Chi-restraints excluded: chain C residue 3696 ASP Chi-restraints excluded: chain C residue 3707 ARG Chi-restraints excluded: chain C residue 3711 THR Chi-restraints excluded: chain C residue 3719 ASP Chi-restraints excluded: chain C residue 3732 SER Chi-restraints excluded: chain C residue 3733 CYS Chi-restraints excluded: chain C residue 3752 SER Chi-restraints excluded: chain C residue 3754 GLU Chi-restraints excluded: chain C residue 3764 LEU Chi-restraints excluded: chain C residue 3772 THR Chi-restraints excluded: chain C residue 3779 VAL Chi-restraints excluded: chain C residue 3787 LYS Chi-restraints excluded: chain C residue 3793 MET Chi-restraints excluded: chain C residue 3795 SER Chi-restraints excluded: chain C residue 3803 SER Chi-restraints excluded: chain C residue 3822 ASP Chi-restraints excluded: chain C residue 3837 GLN Chi-restraints excluded: chain C residue 3873 LYS Chi-restraints excluded: chain C residue 3893 GLU Chi-restraints excluded: chain C residue 3904 ARG Chi-restraints excluded: chain C residue 3907 THR Chi-restraints excluded: chain C residue 3916 ILE Chi-restraints excluded: chain C residue 3924 LEU Chi-restraints excluded: chain C residue 3929 SER Chi-restraints excluded: chain C residue 3930 ILE Chi-restraints excluded: chain C residue 3933 PHE Chi-restraints excluded: chain C residue 3938 SER Chi-restraints excluded: chain C residue 3942 VAL Chi-restraints excluded: chain C residue 3945 GLU Chi-restraints excluded: chain C residue 3952 SER Chi-restraints excluded: chain C residue 3969 ILE Chi-restraints excluded: chain C residue 3970 GLN Chi-restraints excluded: chain C residue 3995 VAL Chi-restraints excluded: chain C residue 4005 GLN Chi-restraints excluded: chain C residue 4008 SER Chi-restraints excluded: chain C residue 4014 LYS Chi-restraints excluded: chain C residue 4018 ASP 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 4048 LEU Chi-restraints excluded: chain C residue 4049 VAL Chi-restraints excluded: chain C residue 4051 SER Chi-restraints excluded: chain C residue 4052 SER Chi-restraints excluded: chain C residue 4053 SER Chi-restraints excluded: chain C residue 4055 VAL Chi-restraints excluded: chain C residue 4064 MET Chi-restraints excluded: chain C residue 4067 LYS Chi-restraints excluded: chain C residue 4072 VAL Chi-restraints excluded: chain C residue 4075 GLU Chi-restraints excluded: chain C residue 4082 THR Chi-restraints excluded: chain C residue 4087 LEU Chi-restraints excluded: chain C residue 4088 ILE Chi-restraints excluded: chain C residue 4089 SER Chi-restraints excluded: chain C residue 4098 ASP Chi-restraints excluded: chain C residue 4106 PRO Chi-restraints excluded: chain C residue 4107 GLU Chi-restraints excluded: chain C residue 4109 GLN Chi-restraints excluded: chain C residue 4110 PHE Chi-restraints excluded: chain C residue 4112 LEU Chi-restraints excluded: chain C residue 4113 SER Chi-restraints excluded: chain C residue 4120 ASN Chi-restraints excluded: chain C residue 4125 PHE Chi-restraints excluded: chain C residue 4127 GLU Chi-restraints excluded: chain C residue 4135 PRO Chi-restraints excluded: chain C residue 4139 ILE Chi-restraints excluded: chain C residue 4145 VAL Chi-restraints excluded: chain C residue 4154 VAL Chi-restraints excluded: chain C residue 4159 ARG Chi-restraints excluded: chain C residue 4170 ILE Chi-restraints excluded: chain C residue 4176 PRO 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 4184 MET Chi-restraints excluded: chain C residue 4196 GLU Chi-restraints excluded: chain C residue 4200 THR Chi-restraints excluded: chain C residue 4202 ARG Chi-restraints excluded: chain C residue 4220 ASP Chi-restraints excluded: chain C residue 4221 VAL Chi-restraints excluded: chain C residue 4232 GLU Chi-restraints excluded: chain C residue 4242 ILE Chi-restraints excluded: chain C residue 4244 GLU Chi-restraints excluded: chain C residue 4251 ILE Chi-restraints excluded: chain C residue 4546 VAL 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 4582 VAL Chi-restraints excluded: chain C residue 4632 LEU Chi-restraints excluded: chain C residue 4634 GLU Chi-restraints excluded: chain C residue 4645 CYS Chi-restraints excluded: chain C residue 4653 VAL Chi-restraints excluded: chain C residue 4662 ASN Chi-restraints excluded: chain C residue 4667 PRO Chi-restraints excluded: chain C residue 4669 VAL Chi-restraints excluded: chain C residue 4688 ILE Chi-restraints excluded: chain C residue 4689 THR Chi-restraints excluded: chain C residue 4694 ASP Chi-restraints excluded: chain C residue 4695 ASP Chi-restraints excluded: chain C residue 4698 LYS Chi-restraints excluded: chain C residue 4707 ASN Chi-restraints excluded: chain C residue 4710 SER Chi-restraints excluded: chain C residue 4713 SER Chi-restraints excluded: chain C residue 4718 LYS Chi-restraints excluded: chain C residue 4722 ARG Chi-restraints excluded: chain C residue 4737 ILE Chi-restraints excluded: chain C residue 4741 LEU Chi-restraints excluded: chain C residue 4743 MET Chi-restraints excluded: chain C residue 4766 THR Chi-restraints excluded: chain C residue 4771 ILE Chi-restraints excluded: chain C residue 4788 SER Chi-restraints excluded: chain C residue 4816 ILE Chi-restraints excluded: chain C residue 4818 MET Chi-restraints excluded: chain C residue 4825 THR Chi-restraints excluded: chain C residue 4836 GLN Chi-restraints excluded: chain C residue 4838 VAL Chi-restraints excluded: chain C residue 4850 LEU Chi-restraints excluded: chain C residue 4879 MET Chi-restraints excluded: chain C residue 4880 MET Chi-restraints excluded: chain C residue 4901 ILE Chi-restraints excluded: chain C residue 4918 ILE Chi-restraints excluded: chain C residue 4919 THR Chi-restraints excluded: chain C residue 4942 GLU Chi-restraints excluded: chain C residue 4948 GLU Chi-restraints excluded: chain C residue 4952 GLU Chi-restraints excluded: chain C residue 4954 MET Chi-restraints excluded: chain C residue 4956 THR Chi-restraints excluded: chain C residue 4961 CYS Chi-restraints excluded: chain C residue 4965 SER Chi-restraints excluded: chain C residue 4966 ASP Chi-restraints excluded: chain C residue 4970 THR Chi-restraints excluded: chain C residue 4980 LEU Chi-restraints excluded: chain C residue 4992 LEU Chi-restraints excluded: chain C residue 5002 GLU Chi-restraints excluded: chain C residue 5008 SER Chi-restraints excluded: chain D residue 13 PHE Chi-restraints excluded: chain D residue 18 ASP Chi-restraints excluded: chain D residue 24 CYS Chi-restraints excluded: chain D residue 25 SER Chi-restraints excluded: chain D residue 32 GLN Chi-restraints excluded: chain D residue 35 LEU Chi-restraints excluded: chain D residue 47 CYS Chi-restraints excluded: chain D residue 54 ASN Chi-restraints excluded: chain D residue 58 VAL Chi-restraints excluded: chain D residue 66 CYS Chi-restraints excluded: chain D residue 75 VAL Chi-restraints excluded: chain D residue 78 LEU Chi-restraints excluded: chain D residue 81 MET Chi-restraints excluded: chain D residue 82 LEU Chi-restraints excluded: chain D residue 99 ARG Chi-restraints excluded: chain D residue 109 LEU Chi-restraints excluded: chain D residue 115 ARG Chi-restraints excluded: chain D residue 119 SER Chi-restraints excluded: chain D residue 120 CYS Chi-restraints excluded: chain D residue 125 ARG Chi-restraints excluded: chain D residue 128 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 146 CYS Chi-restraints excluded: chain D residue 149 THR Chi-restraints excluded: chain D residue 156 GLN Chi-restraints excluded: chain D residue 167 ASP Chi-restraints excluded: chain D residue 169 LEU Chi-restraints excluded: chain D residue 184 THR Chi-restraints excluded: chain D residue 188 GLU Chi-restraints excluded: chain D residue 189 LEU Chi-restraints excluded: chain D residue 190 GLN Chi-restraints excluded: chain D residue 197 GLN Chi-restraints excluded: chain D residue 202 MET Chi-restraints excluded: chain D residue 203 ASN Chi-restraints excluded: chain D residue 210 GLU Chi-restraints excluded: chain D residue 214 VAL Chi-restraints excluded: chain D residue 215 THR Chi-restraints excluded: chain D residue 218 HIS Chi-restraints excluded: chain D residue 220 LEU Chi-restraints excluded: chain D residue 232 THR Chi-restraints excluded: chain D residue 253 CYS Chi-restraints excluded: chain D residue 255 HIS Chi-restraints excluded: chain D residue 257 ARG Chi-restraints excluded: chain D residue 258 SER Chi-restraints excluded: chain D residue 264 PRO Chi-restraints excluded: chain D residue 265 LEU Chi-restraints excluded: chain D residue 266 ARG Chi-restraints excluded: chain D residue 268 SER Chi-restraints excluded: chain D residue 272 SER Chi-restraints excluded: chain D residue 276 TRP Chi-restraints excluded: chain D residue 281 ARG Chi-restraints excluded: chain D residue 286 THR Chi-restraints excluded: chain D residue 290 TYR Chi-restraints excluded: chain D residue 291 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 305 CYS Chi-restraints excluded: chain D residue 309 THR Chi-restraints excluded: chain D residue 315 CYS Chi-restraints excluded: chain D residue 317 ARG Chi-restraints excluded: chain D residue 318 VAL Chi-restraints excluded: chain D residue 319 SER Chi-restraints excluded: chain D residue 320 LYS Chi-restraints excluded: chain D residue 321 GLU Chi-restraints excluded: chain D residue 346 CYS Chi-restraints excluded: chain D residue 348 VAL Chi-restraints excluded: chain D residue 353 SER Chi-restraints excluded: chain D residue 358 THR Chi-restraints excluded: chain D residue 359 TYR Chi-restraints excluded: chain D residue 384 MET Chi-restraints excluded: chain D residue 386 ASP Chi-restraints excluded: chain D residue 389 PHE Chi-restraints excluded: chain D residue 392 ARG Chi-restraints excluded: chain D residue 397 GLU Chi-restraints excluded: chain D residue 404 ILE Chi-restraints excluded: chain D residue 405 HIS Chi-restraints excluded: chain D residue 407 THR Chi-restraints excluded: chain D residue 420 SER Chi-restraints excluded: chain D residue 441 VAL Chi-restraints excluded: chain D residue 442 ILE Chi-restraints excluded: chain D residue 447 ASP Chi-restraints excluded: chain D residue 448 LEU Chi-restraints excluded: chain D residue 456 SER Chi-restraints excluded: chain D residue 470 SER Chi-restraints excluded: chain D residue 477 LEU Chi-restraints excluded: chain D residue 481 GLU Chi-restraints excluded: chain D residue 487 VAL Chi-restraints excluded: chain D residue 494 LEU Chi-restraints excluded: chain D residue 495 ASN Chi-restraints excluded: chain D residue 505 GLU Chi-restraints excluded: chain D residue 510 GLU Chi-restraints excluded: chain D residue 521 LEU Chi-restraints excluded: chain D residue 528 SER 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 540 PHE Chi-restraints excluded: chain D residue 545 ASP Chi-restraints excluded: chain D residue 549 SER Chi-restraints excluded: chain D residue 554 LEU Chi-restraints excluded: chain D residue 560 ILE Chi-restraints excluded: chain D residue 569 ILE Chi-restraints excluded: chain D residue 575 LEU Chi-restraints excluded: chain D residue 577 ILE Chi-restraints excluded: chain D residue 578 ILE Chi-restraints excluded: chain D residue 580 GLU Chi-restraints excluded: chain D residue 587 ILE Chi-restraints excluded: chain D residue 612 VAL Chi-restraints excluded: chain D residue 621 ILE Chi-restraints excluded: chain D residue 625 LEU Chi-restraints excluded: chain D residue 629 ARG Chi-restraints excluded: chain D residue 637 LEU Chi-restraints excluded: chain D residue 645 ARG Chi-restraints excluded: chain D residue 652 ARG Chi-restraints excluded: chain D residue 657 THR Chi-restraints excluded: chain D residue 667 MET Chi-restraints excluded: chain D residue 675 LEU 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 707 VAL Chi-restraints excluded: chain D residue 709 ASP Chi-restraints excluded: chain D residue 710 ASP Chi-restraints excluded: chain D residue 719 LEU Chi-restraints excluded: chain D residue 723 THR Chi-restraints excluded: chain D residue 751 SER Chi-restraints excluded: chain D residue 752 VAL Chi-restraints excluded: chain D residue 755 ILE 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 768 PHE Chi-restraints excluded: chain D residue 773 LEU Chi-restraints excluded: chain D residue 778 PHE Chi-restraints excluded: chain D residue 781 VAL Chi-restraints excluded: chain D residue 788 LYS Chi-restraints excluded: chain D residue 800 PHE Chi-restraints excluded: chain D residue 801 LYS Chi-restraints excluded: chain D residue 821 LEU Chi-restraints excluded: chain D residue 822 ARG Chi-restraints excluded: chain D residue 826 ILE Chi-restraints excluded: chain D residue 831 ARG Chi-restraints excluded: chain D residue 840 VAL Chi-restraints excluded: chain D residue 870 ILE Chi-restraints excluded: chain D residue 924 MET Chi-restraints excluded: chain D residue 925 SER Chi-restraints excluded: chain D residue 961 MET Chi-restraints excluded: chain D residue 1043 VAL Chi-restraints excluded: chain D residue 1072 VAL Chi-restraints excluded: chain D residue 1074 ILE Chi-restraints excluded: chain D residue 1085 SER Chi-restraints excluded: chain D residue 1093 GLU Chi-restraints excluded: chain D residue 1095 VAL Chi-restraints excluded: chain D residue 1106 ARG Chi-restraints excluded: chain D residue 1113 VAL Chi-restraints excluded: chain D residue 1123 VAL Chi-restraints excluded: chain D residue 1127 HIS Chi-restraints excluded: chain D residue 1131 ARG Chi-restraints excluded: chain D residue 1137 GLU Chi-restraints excluded: chain D residue 1139 PHE Chi-restraints excluded: chain D residue 1141 ARG Chi-restraints excluded: chain D residue 1143 TRP Chi-restraints excluded: chain D residue 1145 SER Chi-restraints excluded: chain D residue 1147 ASP Chi-restraints excluded: chain D residue 1151 CYS Chi-restraints excluded: chain D residue 1152 MET Chi-restraints excluded: chain D residue 1153 ILE Chi-restraints excluded: chain D residue 1154 ASP Chi-restraints excluded: chain D residue 1155 LEU Chi-restraints excluded: chain D residue 1163 THR Chi-restraints excluded: chain D residue 1164 LEU Chi-restraints excluded: chain D residue 1168 VAL Chi-restraints excluded: chain D residue 1169 LEU Chi-restraints excluded: chain D residue 1171 SER Chi-restraints excluded: chain D residue 1173 SER Chi-restraints excluded: chain D residue 1190 PRO Chi-restraints excluded: chain D residue 1192 CYS Chi-restraints excluded: chain D residue 1193 SER Chi-restraints excluded: chain D residue 1198 GLN Chi-restraints excluded: chain D residue 1202 LEU Chi-restraints excluded: chain D residue 1204 LEU Chi-restraints excluded: chain D residue 1208 VAL Chi-restraints excluded: chain D residue 1219 LEU Chi-restraints excluded: chain D residue 1229 ASN Chi-restraints excluded: chain D residue 1234 VAL Chi-restraints excluded: chain D residue 1238 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 1259 ARG Chi-restraints excluded: chain D residue 1269 CYS Chi-restraints excluded: chain D residue 1271 ARG Chi-restraints excluded: chain D residue 1282 SER Chi-restraints excluded: chain D residue 1283 LEU Chi-restraints excluded: chain D residue 1287 LEU Chi-restraints excluded: chain D residue 1431 THR Chi-restraints excluded: chain D residue 1432 THR Chi-restraints excluded: chain D residue 1437 VAL Chi-restraints excluded: chain D residue 1439 VAL Chi-restraints excluded: chain D residue 1457 TYR Chi-restraints excluded: chain D residue 1460 HIS Chi-restraints excluded: chain D residue 1462 MET Chi-restraints excluded: chain D residue 1466 LEU Chi-restraints excluded: chain D residue 1469 VAL Chi-restraints excluded: chain D residue 1472 VAL Chi-restraints excluded: chain D residue 1483 VAL Chi-restraints excluded: chain D residue 1485 SER Chi-restraints excluded: chain D residue 1486 SER Chi-restraints excluded: chain D residue 1576 SER Chi-restraints excluded: chain D residue 1580 PHE 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 1603 VAL Chi-restraints excluded: chain D residue 1607 ARG Chi-restraints excluded: chain D residue 1628 VAL Chi-restraints excluded: chain D residue 1630 CYS Chi-restraints excluded: chain D residue 1634 LEU Chi-restraints excluded: chain D residue 1642 PRO Chi-restraints excluded: chain D residue 1647 CYS 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 1685 LEU Chi-restraints excluded: chain D residue 1687 SER Chi-restraints excluded: chain D residue 1689 VAL Chi-restraints excluded: chain D residue 1698 LEU Chi-restraints excluded: chain D residue 1699 GLU Chi-restraints excluded: chain D residue 1700 ASP Chi-restraints excluded: chain D residue 1704 PRO Chi-restraints excluded: chain D residue 1706 PRO Chi-restraints excluded: chain D residue 1717 SER Chi-restraints excluded: chain D residue 1733 GLU Chi-restraints excluded: chain D residue 1736 VAL Chi-restraints excluded: chain D residue 1738 LEU Chi-restraints excluded: chain D residue 1739 THR Chi-restraints excluded: chain D residue 1760 HIS Chi-restraints excluded: chain D residue 1770 SER Chi-restraints excluded: chain D residue 1771 LEU 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 1802 ILE Chi-restraints excluded: chain D residue 1812 LEU Chi-restraints excluded: chain D residue 1815 LEU Chi-restraints excluded: chain D residue 1830 VAL Chi-restraints excluded: chain D residue 1834 VAL Chi-restraints excluded: chain D residue 1849 LEU Chi-restraints excluded: chain D residue 1857 GLU Chi-restraints excluded: chain D residue 1869 GLU Chi-restraints excluded: chain D residue 1872 THR Chi-restraints excluded: chain D residue 1873 GLU Chi-restraints excluded: chain D residue 1929 MET Chi-restraints excluded: chain D residue 1930 LYS Chi-restraints excluded: chain D residue 1934 SER Chi-restraints excluded: chain D residue 1955 VAL Chi-restraints excluded: chain D residue 1961 PHE Chi-restraints excluded: chain D residue 1966 VAL Chi-restraints excluded: chain D residue 1969 LEU Chi-restraints excluded: chain D residue 1993 ARG Chi-restraints excluded: chain D residue 1996 ARG Chi-restraints excluded: chain D residue 2020 ASP Chi-restraints excluded: chain D residue 2027 ILE Chi-restraints excluded: chain D residue 2037 ASP Chi-restraints excluded: chain D residue 2093 SER Chi-restraints excluded: chain D residue 2094 LEU Chi-restraints excluded: chain D residue 2095 GLN Chi-restraints excluded: chain D residue 2097 LEU Chi-restraints excluded: chain D residue 2098 VAL Chi-restraints excluded: chain D residue 2122 SER Chi-restraints excluded: chain D residue 2136 ARG 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 2156 LEU Chi-restraints excluded: chain D residue 2161 GLN Chi-restraints excluded: chain D residue 2166 LEU Chi-restraints excluded: chain D residue 2167 ILE Chi-restraints excluded: chain D residue 2169 GLN Chi-restraints excluded: chain D residue 2170 MET Chi-restraints excluded: chain D residue 2173 GLN Chi-restraints excluded: chain D residue 2175 GLU Chi-restraints excluded: chain D residue 2186 MET Chi-restraints excluded: chain D residue 2187 ASN Chi-restraints excluded: chain D residue 2197 LEU Chi-restraints excluded: chain D residue 2199 ARG Chi-restraints excluded: chain D residue 2209 GLU Chi-restraints excluded: chain D residue 2227 LYS Chi-restraints excluded: chain D residue 2228 MET Chi-restraints excluded: chain D residue 2229 VAL Chi-restraints excluded: chain D residue 2230 THR Chi-restraints excluded: chain D residue 2238 TYR Chi-restraints excluded: chain D residue 2241 ARG Chi-restraints excluded: chain D residue 2242 ILE Chi-restraints excluded: chain D residue 2244 ARG Chi-restraints excluded: chain D residue 2270 SER Chi-restraints excluded: chain D residue 2274 ASP Chi-restraints excluded: chain D residue 2275 VAL Chi-restraints excluded: chain D residue 2280 VAL Chi-restraints excluded: chain D residue 2281 ILE Chi-restraints excluded: chain D residue 2290 LEU Chi-restraints excluded: chain D residue 2294 ASP Chi-restraints excluded: chain D residue 2295 LEU Chi-restraints excluded: chain D residue 2296 GLU Chi-restraints excluded: chain D residue 2299 VAL Chi-restraints excluded: chain D residue 2300 SER Chi-restraints excluded: chain D residue 2312 MET Chi-restraints excluded: chain D residue 2314 LEU Chi-restraints excluded: chain D residue 2324 ASN Chi-restraints excluded: chain D residue 2333 ASP Chi-restraints excluded: chain D residue 2336 ARG Chi-restraints excluded: chain D residue 2341 VAL Chi-restraints excluded: chain D residue 2346 VAL Chi-restraints excluded: chain D residue 2352 VAL Chi-restraints excluded: chain D residue 2353 VAL Chi-restraints excluded: chain D residue 2368 LEU Chi-restraints excluded: chain D residue 2371 GLU Chi-restraints excluded: chain D residue 2416 VAL Chi-restraints excluded: chain D residue 2423 MET Chi-restraints excluded: chain D residue 2430 ILE Chi-restraints excluded: chain D residue 2442 LEU Chi-restraints excluded: chain D residue 2454 ARG Chi-restraints excluded: chain D residue 2460 LEU Chi-restraints excluded: chain D residue 2461 VAL Chi-restraints excluded: chain D residue 2479 LEU Chi-restraints excluded: chain D residue 3644 LEU Chi-restraints excluded: chain D residue 3652 MET Chi-restraints excluded: chain D residue 3656 SER Chi-restraints excluded: chain D residue 3661 TRP Chi-restraints excluded: chain D residue 3662 ILE Chi-restraints excluded: chain D residue 3663 LEU Chi-restraints excluded: chain D residue 3669 PHE Chi-restraints excluded: chain D residue 3678 SER Chi-restraints excluded: chain D residue 3696 ASP Chi-restraints excluded: chain D residue 3707 ARG Chi-restraints excluded: chain D residue 3711 THR Chi-restraints excluded: chain D residue 3719 ASP Chi-restraints excluded: chain D residue 3732 SER Chi-restraints excluded: chain D residue 3752 SER Chi-restraints excluded: chain D residue 3754 GLU Chi-restraints excluded: chain D residue 3756 LYS Chi-restraints excluded: chain D residue 3764 LEU Chi-restraints excluded: chain D residue 3772 THR Chi-restraints excluded: chain D residue 3779 VAL Chi-restraints excluded: chain D residue 3787 LYS Chi-restraints excluded: chain D residue 3795 SER Chi-restraints excluded: chain D residue 3803 SER Chi-restraints excluded: chain D residue 3822 ASP Chi-restraints excluded: chain D residue 3837 GLN Chi-restraints excluded: chain D residue 3841 VAL Chi-restraints excluded: chain D residue 3867 ASN Chi-restraints excluded: chain D residue 3869 GLN Chi-restraints excluded: chain D residue 3870 ASN Chi-restraints excluded: chain D residue 3872 GLU Chi-restraints excluded: chain D residue 3873 LYS Chi-restraints excluded: chain D residue 3874 VAL Chi-restraints excluded: chain D residue 3893 GLU Chi-restraints excluded: chain D residue 3904 ARG Chi-restraints excluded: chain D residue 3907 THR Chi-restraints excluded: chain D residue 3916 ILE Chi-restraints excluded: chain D residue 3924 LEU Chi-restraints excluded: chain D residue 3929 SER Chi-restraints excluded: chain D residue 3930 ILE Chi-restraints excluded: chain D residue 3933 PHE Chi-restraints excluded: chain D residue 3938 SER Chi-restraints excluded: chain D residue 3942 VAL Chi-restraints excluded: chain D residue 3945 GLU Chi-restraints excluded: chain D residue 3952 SER Chi-restraints excluded: chain D residue 3969 ILE Chi-restraints excluded: chain D residue 3970 GLN Chi-restraints excluded: chain D residue 3995 VAL Chi-restraints excluded: chain D residue 4005 GLN Chi-restraints excluded: chain D residue 4008 SER Chi-restraints excluded: chain D residue 4014 LYS Chi-restraints excluded: chain D residue 4018 ASP 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 4048 LEU Chi-restraints excluded: chain D residue 4049 VAL Chi-restraints excluded: chain D residue 4051 SER Chi-restraints excluded: chain D residue 4052 SER Chi-restraints excluded: chain D residue 4053 SER Chi-restraints excluded: chain D residue 4055 VAL Chi-restraints excluded: chain D residue 4064 MET Chi-restraints excluded: chain D residue 4067 LYS Chi-restraints excluded: chain D residue 4072 VAL Chi-restraints excluded: chain D residue 4075 GLU Chi-restraints excluded: chain D residue 4082 THR Chi-restraints excluded: chain D residue 4087 LEU Chi-restraints excluded: chain D residue 4088 ILE Chi-restraints excluded: chain D residue 4089 SER Chi-restraints excluded: chain D residue 4098 ASP Chi-restraints excluded: chain D residue 4106 PRO Chi-restraints excluded: chain D residue 4107 GLU Chi-restraints excluded: chain D residue 4109 GLN Chi-restraints excluded: chain D residue 4110 PHE Chi-restraints excluded: chain D residue 4111 LEU Chi-restraints excluded: chain D residue 4125 PHE Chi-restraints excluded: chain D residue 4127 GLU Chi-restraints excluded: chain D residue 4135 PRO Chi-restraints excluded: chain D residue 4139 ILE Chi-restraints excluded: chain D residue 4145 VAL Chi-restraints excluded: chain D residue 4154 VAL Chi-restraints excluded: chain D residue 4159 ARG Chi-restraints excluded: chain D residue 4170 ILE Chi-restraints excluded: chain D residue 4178 LEU Chi-restraints excluded: chain D residue 4184 MET Chi-restraints excluded: chain D residue 4196 GLU Chi-restraints excluded: chain D residue 4200 THR Chi-restraints excluded: chain D residue 4220 ASP Chi-restraints excluded: chain D residue 4221 VAL Chi-restraints excluded: chain D residue 4232 GLU Chi-restraints excluded: chain D residue 4242 ILE Chi-restraints excluded: chain D residue 4244 GLU Chi-restraints excluded: chain D residue 4251 ILE Chi-restraints excluded: chain D residue 4546 VAL Chi-restraints excluded: chain D residue 4558 ASN Chi-restraints excluded: chain D residue 4565 LEU Chi-restraints excluded: chain D residue 4582 VAL Chi-restraints excluded: chain D residue 4632 LEU Chi-restraints excluded: chain D residue 4634 GLU Chi-restraints excluded: chain D residue 4645 CYS Chi-restraints excluded: chain D residue 4647 SER Chi-restraints excluded: chain D residue 4653 VAL Chi-restraints excluded: chain D residue 4662 ASN Chi-restraints excluded: chain D residue 4667 PRO Chi-restraints excluded: chain D residue 4669 VAL Chi-restraints excluded: chain D residue 4688 ILE Chi-restraints excluded: chain D residue 4689 THR Chi-restraints excluded: chain D residue 4694 ASP Chi-restraints excluded: chain D residue 4695 ASP Chi-restraints excluded: chain D residue 4698 LYS Chi-restraints excluded: chain D residue 4707 ASN Chi-restraints excluded: chain D residue 4710 SER Chi-restraints excluded: chain D residue 4713 SER Chi-restraints excluded: chain D residue 4718 LYS Chi-restraints excluded: chain D residue 4722 ARG Chi-restraints excluded: chain D residue 4737 ILE Chi-restraints excluded: chain D residue 4741 LEU Chi-restraints excluded: chain D residue 4743 MET Chi-restraints excluded: chain D residue 4745 LEU Chi-restraints excluded: chain D residue 4766 THR Chi-restraints excluded: chain D residue 4788 SER Chi-restraints excluded: chain D residue 4816 ILE Chi-restraints excluded: chain D residue 4818 MET Chi-restraints excluded: chain D residue 4825 THR Chi-restraints excluded: chain D residue 4836 GLN Chi-restraints excluded: chain D residue 4838 VAL Chi-restraints excluded: chain D residue 4850 LEU Chi-restraints excluded: chain D residue 4869 GLU Chi-restraints excluded: chain D residue 4874 MET Chi-restraints excluded: chain D residue 4876 CYS Chi-restraints excluded: chain D residue 4879 MET Chi-restraints excluded: chain D residue 4880 MET Chi-restraints excluded: chain D residue 4881 THR Chi-restraints excluded: chain D residue 4901 ILE Chi-restraints excluded: chain D residue 4918 ILE Chi-restraints excluded: chain D residue 4919 THR Chi-restraints excluded: chain D residue 4948 GLU Chi-restraints excluded: chain D residue 4952 GLU Chi-restraints excluded: chain D residue 4954 MET Chi-restraints excluded: chain D residue 4956 THR Chi-restraints excluded: chain D residue 4961 CYS Chi-restraints excluded: chain D residue 4965 SER Chi-restraints excluded: chain D residue 4966 ASP Chi-restraints excluded: chain D residue 4980 LEU Chi-restraints excluded: chain D residue 4992 LEU Chi-restraints excluded: chain D residue 5002 GLU Rotamers are restrained with sigma=3.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 0 random chunks: chunk None optimal weight: 5.9990 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 379 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A 413 GLN ** A 624 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2005 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2260 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2268 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2444 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4094 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4806 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A5003 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 379 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B 413 GLN B 473 ASN ** B 624 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B 725 HIS B1231 GLN ** B2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2260 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2268 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2444 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4094 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4806 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 379 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C 413 GLN ** C 624 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 720 HIS C1231 GLN ** C1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2260 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C2284 ASN ** C2444 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C3830 GLN ** C4094 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4806 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C5003 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 413 GLN ** D 624 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2260 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2268 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D2284 ASN ** D2444 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D3830 GLN ** D3946 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4094 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4806 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D5003 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 13 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7818 moved from start: 0.8687 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.060 0.669 113365 Z= 3.863 Angle : 2.898 42.528 154462 Z= 1.531 Chirality : 0.185 1.329 18087 Planarity : 0.021 0.437 20349 Dihedral : 14.385 174.133 17057 Min Nonbonded Distance : 1.337 Molprobity Statistics. All-atom Clashscore : 51.61 Ramachandran Plot: Outliers : 2.77 % Allowed : 25.43 % Favored : 71.81 % Rotamer: Outliers : 24.28 % Allowed : 23.51 % Favored : 52.21 % Cbeta Deviations : 0.98 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 5.67 % Twisted General : 2.83 % 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: -6.76 (0.05), residues: 12368 helix: -4.27 (0.04), residues: 5660 sheet: -3.50 (0.12), residues: 1336 loop : -4.95 (0.06), residues: 5372 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.067 0.012 TRP C4794 HIS 0.040 0.007 HIS C4650 PHE 0.082 0.013 PHE B5028 TYR 0.085 0.012 TYR A 359 ARG 0.031 0.003 ARG C4892 *********************** REFINEMENT MACRO_CYCLE 6 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 24736 Ramachandran restraints generated. 12368 Oldfield, 0 Emsley, 12368 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 24736 Ramachandran restraints generated. 12368 Oldfield, 0 Emsley, 12368 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3215 residues out of total 10876 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2360 poor density : 855 time to evaluate : 8.840 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: A 65 CYS cc_start: 0.8422 (m) cc_final: 0.7902 (t) REVERT: A 169 LEU cc_start: 0.6739 (OUTLIER) cc_final: 0.6503 (mt) REVERT: A 189 LEU cc_start: 0.8314 (OUTLIER) cc_final: 0.7972 (mt) REVERT: A 197 GLN cc_start: 0.8457 (OUTLIER) cc_final: 0.8158 (tt0) REVERT: A 218 HIS cc_start: 0.7378 (OUTLIER) cc_final: 0.6990 (m90) REVERT: A 246 TYR cc_start: 0.6813 (m-80) cc_final: 0.6426 (m-80) REVERT: A 276 TRP cc_start: 0.6006 (OUTLIER) cc_final: 0.5661 (m-10) REVERT: A 281 ARG cc_start: 0.5749 (OUTLIER) cc_final: 0.4574 (mtp180) REVERT: A 317 ARG cc_start: 0.7499 (OUTLIER) cc_final: 0.6447 (mmp80) REVERT: A 334 MET cc_start: 0.6946 (mmm) cc_final: 0.5975 (mmp) REVERT: A 346 CYS cc_start: 0.6173 (OUTLIER) cc_final: 0.5472 (p) REVERT: A 392 ARG cc_start: 0.5815 (OUTLIER) cc_final: 0.5340 (ptt-90) REVERT: A 510 GLU cc_start: 0.6751 (OUTLIER) cc_final: 0.6250 (mm-30) REVERT: A 513 GLU cc_start: 0.8152 (mp0) cc_final: 0.7849 (mp0) REVERT: A 521 LEU cc_start: 0.8812 (OUTLIER) cc_final: 0.8074 (mp) REVERT: A 575 LEU cc_start: 0.9002 (OUTLIER) cc_final: 0.8770 (mp) REVERT: A 625 LEU cc_start: 0.6027 (OUTLIER) cc_final: 0.5245 (tp) REVERT: A 629 ARG cc_start: 0.8584 (OUTLIER) cc_final: 0.6593 (mmt90) REVERT: A 663 TYR cc_start: 0.3971 (OUTLIER) cc_final: 0.1275 (t80) REVERT: A 710 ASP cc_start: 0.8327 (OUTLIER) cc_final: 0.8064 (p0) REVERT: A 800 PHE cc_start: 0.6650 (OUTLIER) cc_final: 0.5572 (m-10) REVERT: A 801 LYS cc_start: 0.7861 (OUTLIER) cc_final: 0.6819 (mmtt) REVERT: A 802 PHE cc_start: 0.6651 (OUTLIER) cc_final: 0.5778 (m-80) REVERT: A 822 ARG cc_start: 0.6597 (OUTLIER) cc_final: 0.5381 (ptt-90) REVERT: A 831 ARG cc_start: 0.7788 (OUTLIER) cc_final: 0.7326 (ptp-110) REVERT: A 933 LEU cc_start: 0.4387 (OUTLIER) cc_final: 0.4095 (pp) REVERT: A 961 MET cc_start: 0.5030 (OUTLIER) cc_final: 0.4067 (ptt) REVERT: A 1029 GLU cc_start: 0.4130 (OUTLIER) cc_final: 0.3711 (mp0) REVERT: A 1106 ARG cc_start: 0.8275 (OUTLIER) cc_final: 0.7878 (mmt-90) REVERT: A 1127 HIS cc_start: 0.6484 (OUTLIER) cc_final: 0.5721 (t70) REVERT: A 1131 ARG cc_start: 0.7448 (OUTLIER) cc_final: 0.7242 (ptt180) REVERT: A 1137 GLU cc_start: 0.7923 (OUTLIER) cc_final: 0.7403 (mm-30) REVERT: A 1141 ARG cc_start: 0.7890 (OUTLIER) cc_final: 0.7680 (ptt90) REVERT: A 1259 ARG cc_start: 0.8587 (OUTLIER) cc_final: 0.7564 (mtt90) REVERT: A 1271 ARG cc_start: 0.7690 (OUTLIER) cc_final: 0.7183 (ttp-110) REVERT: A 1580 PHE cc_start: 0.8480 (OUTLIER) cc_final: 0.6387 (t80) REVERT: A 1600 LEU cc_start: 0.8939 (OUTLIER) cc_final: 0.7982 (tp) REVERT: A 1654 SER cc_start: 0.8467 (OUTLIER) cc_final: 0.8089 (t) REVERT: A 1657 LEU cc_start: 0.9306 (OUTLIER) cc_final: 0.9027 (mp) REVERT: A 1671 ARG cc_start: 0.8649 (OUTLIER) cc_final: 0.8056 (mtm-85) REVERT: A 1700 ASP cc_start: 0.8586 (OUTLIER) cc_final: 0.8187 (m-30) REVERT: A 1720 LEU cc_start: 0.9056 (OUTLIER) cc_final: 0.8342 (mp) REVERT: A 1733 GLU cc_start: 0.8240 (OUTLIER) cc_final: 0.7127 (mt-10) REVERT: A 1772 ARG cc_start: 0.8782 (OUTLIER) cc_final: 0.8432 (mtt-85) REVERT: A 1815 LEU cc_start: 0.9049 (OUTLIER) cc_final: 0.8311 (mp) REVERT: A 1930 LYS cc_start: 0.8708 (OUTLIER) cc_final: 0.8137 (ttpp) REVERT: A 2039 LEU cc_start: 0.8654 (OUTLIER) cc_final: 0.8245 (mp) REVERT: A 2092 GLN cc_start: 0.7605 (mm-40) cc_final: 0.7347 (mm110) REVERT: A 2161 GLN cc_start: 0.8697 (OUTLIER) cc_final: 0.7811 (tm-30) REVERT: A 2169 GLN cc_start: 0.8777 (OUTLIER) cc_final: 0.8031 (tt0) REVERT: A 2170 MET cc_start: 0.7721 (OUTLIER) cc_final: 0.6839 (tmm) REVERT: A 2197 LEU cc_start: 0.8487 (OUTLIER) cc_final: 0.8163 (mp) REVERT: A 2199 ARG cc_start: 0.8488 (OUTLIER) cc_final: 0.7268 (mtm-85) REVERT: A 2221 LYS cc_start: 0.6575 (OUTLIER) cc_final: 0.6089 (tttt) REVERT: A 2227 LYS cc_start: 0.8670 (OUTLIER) cc_final: 0.8320 (ttmm) REVERT: A 2244 ARG cc_start: 0.8080 (OUTLIER) cc_final: 0.7317 (mtp85) REVERT: A 2259 GLU cc_start: 0.8477 (OUTLIER) cc_final: 0.7743 (pm20) REVERT: A 2284 ASN cc_start: 0.7830 (OUTLIER) cc_final: 0.7163 (t0) REVERT: A 2295 LEU cc_start: 0.7936 (OUTLIER) cc_final: 0.7595 (mm) REVERT: A 2296 GLU cc_start: 0.8810 (OUTLIER) cc_final: 0.8340 (tp30) REVERT: A 2416 VAL cc_start: 0.8118 (OUTLIER) cc_final: 0.7890 (t) REVERT: A 2458 ARG cc_start: 0.7317 (OUTLIER) cc_final: 0.6919 (tpm170) REVERT: A 3669 PHE cc_start: 0.8597 (OUTLIER) cc_final: 0.8204 (p90) REVERT: A 3756 LYS cc_start: 0.6972 (OUTLIER) cc_final: 0.6770 (pttt) REVERT: A 3758 MET cc_start: 0.7614 (tpp) cc_final: 0.7197 (tpp) REVERT: A 3787 LYS cc_start: 0.9173 (OUTLIER) cc_final: 0.8640 (mttp) REVERT: A 3837 GLN cc_start: 0.9016 (OUTLIER) cc_final: 0.8561 (mt0) REVERT: A 3893 GLU cc_start: 0.8326 (OUTLIER) cc_final: 0.8110 (tt0) REVERT: A 3904 ARG cc_start: 0.9180 (OUTLIER) cc_final: 0.8726 (ttp-110) REVERT: A 3916 ILE cc_start: 0.8823 (OUTLIER) cc_final: 0.8590 (mt) REVERT: A 3924 LEU cc_start: 0.8967 (OUTLIER) cc_final: 0.8598 (tt) REVERT: A 3970 GLN cc_start: 0.8254 (OUTLIER) cc_final: 0.7879 (tt0) REVERT: A 4005 GLN cc_start: 0.6971 (OUTLIER) cc_final: 0.5909 (mp10) REVERT: A 4015 GLU cc_start: 0.7873 (OUTLIER) cc_final: 0.7525 (mm-30) REVERT: A 4026 MET cc_start: 0.8903 (OUTLIER) cc_final: 0.8503 (tmm) REVERT: A 4100 GLN cc_start: 0.5379 (OUTLIER) cc_final: 0.4617 (mm-40) REVERT: A 4102 GLN cc_start: 0.4628 (OUTLIER) cc_final: 0.4096 (pt0) REVERT: A 4103 PHE cc_start: 0.7226 (OUTLIER) cc_final: 0.6803 (t80) REVERT: A 4110 PHE cc_start: 0.3345 (OUTLIER) cc_final: 0.2663 (m-80) REVERT: A 4125 PHE cc_start: 0.2297 (OUTLIER) cc_final: 0.1405 (p90) REVERT: A 4135 PRO cc_start: 0.7627 (OUTLIER) cc_final: 0.7341 (Cg_endo) REVERT: A 4159 ARG cc_start: 0.8832 (OUTLIER) cc_final: 0.8129 (mtm-85) REVERT: A 4172 GLU cc_start: 0.8229 (OUTLIER) cc_final: 0.7500 (mp0) REVERT: A 4196 GLU cc_start: 0.8835 (OUTLIER) cc_final: 0.8620 (tt0) REVERT: A 4232 GLU cc_start: 0.9022 (OUTLIER) cc_final: 0.8162 (tt0) REVERT: A 4244 GLU cc_start: 0.8921 (OUTLIER) cc_final: 0.8062 (mm-30) REVERT: A 4568 PHE cc_start: 0.8818 (OUTLIER) cc_final: 0.7999 (t80) REVERT: A 4632 LEU cc_start: 0.8829 (OUTLIER) cc_final: 0.8479 (tt) REVERT: A 4704 LEU cc_start: 0.9456 (OUTLIER) cc_final: 0.9056 (mp) REVERT: A 4718 LYS cc_start: 0.8905 (OUTLIER) cc_final: 0.8569 (mmtm) REVERT: A 4741 LEU cc_start: 0.9236 (OUTLIER) cc_final: 0.8726 (mp) REVERT: A 4796 MET cc_start: 0.8920 (OUTLIER) cc_final: 0.8050 (tpt) REVERT: A 4836 GLN cc_start: 0.9152 (OUTLIER) cc_final: 0.8342 (mt0) REVERT: A 4839 MET cc_start: 0.9233 (mmm) cc_final: 0.8983 (mtp) REVERT: A 4948 GLU cc_start: 0.8802 (OUTLIER) cc_final: 0.8187 (mp0) REVERT: A 4957 LYS cc_start: 0.8855 (OUTLIER) cc_final: 0.8564 (ttpt) REVERT: B 65 CYS cc_start: 0.8384 (m) cc_final: 0.7892 (t) REVERT: B 169 LEU cc_start: 0.7005 (OUTLIER) cc_final: 0.6663 (mt) REVERT: B 189 LEU cc_start: 0.8264 (OUTLIER) cc_final: 0.8009 (mt) REVERT: B 197 GLN cc_start: 0.8420 (OUTLIER) cc_final: 0.8137 (tt0) REVERT: B 218 HIS cc_start: 0.7460 (OUTLIER) cc_final: 0.7052 (m90) REVERT: B 276 TRP cc_start: 0.5888 (OUTLIER) cc_final: 0.5529 (m-10) REVERT: B 317 ARG cc_start: 0.7441 (OUTLIER) cc_final: 0.6437 (mmp80) REVERT: B 334 MET cc_start: 0.6960 (mmm) cc_final: 0.5976 (mmp) REVERT: B 346 CYS cc_start: 0.6142 (OUTLIER) cc_final: 0.5483 (p) REVERT: B 392 ARG cc_start: 0.5965 (OUTLIER) cc_final: 0.5569 (ptt-90) REVERT: B 396 GLU cc_start: 0.7179 (OUTLIER) cc_final: 0.6861 (pp20) REVERT: B 521 LEU cc_start: 0.8809 (OUTLIER) cc_final: 0.8066 (mp) REVERT: B 575 LEU cc_start: 0.9008 (OUTLIER) cc_final: 0.8773 (mp) REVERT: B 625 LEU cc_start: 0.6071 (OUTLIER) cc_final: 0.5355 (tp) REVERT: B 629 ARG cc_start: 0.8574 (OUTLIER) cc_final: 0.6553 (mmt90) REVERT: B 663 TYR cc_start: 0.4182 (OUTLIER) cc_final: 0.1225 (t80) REVERT: B 710 ASP cc_start: 0.8226 (OUTLIER) cc_final: 0.7865 (p0) REVERT: B 714 TYR cc_start: 0.6831 (OUTLIER) cc_final: 0.6059 (m-80) REVERT: B 768 PHE cc_start: 0.6605 (OUTLIER) cc_final: 0.5427 (m-80) REVERT: B 788 LYS cc_start: 0.5884 (OUTLIER) cc_final: 0.5560 (mtmt) REVERT: B 800 PHE cc_start: 0.6618 (OUTLIER) cc_final: 0.5569 (m-10) REVERT: B 801 LYS cc_start: 0.7825 (OUTLIER) cc_final: 0.6743 (mmtt) REVERT: B 802 PHE cc_start: 0.6673 (OUTLIER) cc_final: 0.5793 (m-80) REVERT: B 822 ARG cc_start: 0.6608 (OUTLIER) cc_final: 0.5396 (ptt-90) REVERT: B 831 ARG cc_start: 0.7730 (OUTLIER) cc_final: 0.7265 (ptp-110) REVERT: B 933 LEU cc_start: 0.4262 (OUTLIER) cc_final: 0.3944 (pp) REVERT: B 1106 ARG cc_start: 0.8252 (OUTLIER) cc_final: 0.7859 (mmt-90) REVERT: B 1127 HIS cc_start: 0.6668 (OUTLIER) cc_final: 0.5923 (t70) REVERT: B 1131 ARG cc_start: 0.7463 (OUTLIER) cc_final: 0.7220 (ptt180) REVERT: B 1137 GLU cc_start: 0.7903 (OUTLIER) cc_final: 0.7394 (mm-30) REVERT: B 1198 GLN cc_start: 0.7628 (OUTLIER) cc_final: 0.7348 (mp10) REVERT: B 1219 LEU cc_start: 0.8041 (OUTLIER) cc_final: 0.7434 (mm) REVERT: B 1254 HIS cc_start: 0.7698 (OUTLIER) cc_final: 0.7316 (p90) REVERT: B 1259 ARG cc_start: 0.8566 (OUTLIER) cc_final: 0.7756 (mtt90) REVERT: B 1271 ARG cc_start: 0.7663 (OUTLIER) cc_final: 0.7140 (ttp-110) REVERT: B 1457 TYR cc_start: 0.7813 (OUTLIER) cc_final: 0.7563 (m-80) REVERT: B 1580 PHE cc_start: 0.8608 (OUTLIER) cc_final: 0.6549 (t80) REVERT: B 1583 GLU cc_start: 0.5874 (OUTLIER) cc_final: 0.4241 (mm-30) REVERT: B 1600 LEU cc_start: 0.8921 (OUTLIER) cc_final: 0.7941 (tp) REVERT: B 1657 LEU cc_start: 0.9302 (OUTLIER) cc_final: 0.9015 (mp) REVERT: B 1668 ARG cc_start: 0.9078 (OUTLIER) cc_final: 0.8383 (ttm-80) REVERT: B 1671 ARG cc_start: 0.8648 (OUTLIER) cc_final: 0.8057 (mtm-85) REVERT: B 1700 ASP cc_start: 0.8594 (OUTLIER) cc_final: 0.8194 (m-30) REVERT: B 1720 LEU cc_start: 0.9054 (OUTLIER) cc_final: 0.8342 (mp) REVERT: B 1733 GLU cc_start: 0.8255 (OUTLIER) cc_final: 0.7143 (mt-10) REVERT: B 1772 ARG cc_start: 0.8790 (OUTLIER) cc_final: 0.8417 (mtt-85) REVERT: B 1782 PHE cc_start: 0.7523 (OUTLIER) cc_final: 0.7039 (p90) REVERT: B 1815 LEU cc_start: 0.9045 (OUTLIER) cc_final: 0.8305 (mp) REVERT: B 1863 LEU cc_start: 0.8680 (OUTLIER) cc_final: 0.8389 (mt) REVERT: B 1869 GLU cc_start: 0.8719 (OUTLIER) cc_final: 0.8454 (tm-30) REVERT: B 1873 GLU cc_start: 0.6418 (OUTLIER) cc_final: 0.6144 (tm-30) REVERT: B 1996 ARG cc_start: 0.6617 (OUTLIER) cc_final: 0.5907 (ptm160) REVERT: B 2039 LEU cc_start: 0.8681 (OUTLIER) cc_final: 0.8276 (mp) REVERT: B 2092 GLN cc_start: 0.7562 (mm-40) cc_final: 0.7292 (mm110) REVERT: B 2161 GLN cc_start: 0.8704 (OUTLIER) cc_final: 0.7818 (tm-30) REVERT: B 2169 GLN cc_start: 0.8767 (OUTLIER) cc_final: 0.8017 (tt0) REVERT: B 2170 MET cc_start: 0.7732 (OUTLIER) cc_final: 0.6851 (tmm) REVERT: B 2197 LEU cc_start: 0.8501 (OUTLIER) cc_final: 0.8182 (mp) REVERT: B 2199 ARG cc_start: 0.8495 (OUTLIER) cc_final: 0.7264 (mtm-85) REVERT: B 2221 LYS cc_start: 0.6516 (OUTLIER) cc_final: 0.6028 (tttt) REVERT: B 2227 LYS cc_start: 0.8643 (OUTLIER) cc_final: 0.8296 (ttmm) REVERT: B 2244 ARG cc_start: 0.8110 (OUTLIER) cc_final: 0.7312 (mtp85) REVERT: B 2295 LEU cc_start: 0.7979 (OUTLIER) cc_final: 0.7581 (mm) REVERT: B 2296 GLU cc_start: 0.8706 (OUTLIER) cc_final: 0.8189 (tp30) REVERT: B 2416 VAL cc_start: 0.8105 (OUTLIER) cc_final: 0.7871 (t) REVERT: B 3670 GLU cc_start: 0.8481 (OUTLIER) cc_final: 0.7968 (mp0) REVERT: B 3694 LYS cc_start: 0.8403 (OUTLIER) cc_final: 0.7579 (ptmm) REVERT: B 3707 ARG cc_start: 0.8434 (OUTLIER) cc_final: 0.8206 (ttt90) REVERT: B 3758 MET cc_start: 0.7596 (tpp) cc_final: 0.7172 (tpp) REVERT: B 3800 LEU cc_start: 0.9263 (OUTLIER) cc_final: 0.9063 (tp) REVERT: B 3837 GLN cc_start: 0.9013 (OUTLIER) cc_final: 0.8557 (mt0) REVERT: B 3872 GLU cc_start: 0.7924 (OUTLIER) cc_final: 0.7395 (pm20) REVERT: B 3904 ARG cc_start: 0.9187 (OUTLIER) cc_final: 0.8715 (ttp-110) REVERT: B 3916 ILE cc_start: 0.8817 (OUTLIER) cc_final: 0.8591 (mt) REVERT: B 3924 LEU cc_start: 0.8962 (OUTLIER) cc_final: 0.8592 (tt) REVERT: B 3970 GLN cc_start: 0.8229 (OUTLIER) cc_final: 0.7844 (tt0) REVERT: B 4005 GLN cc_start: 0.6973 (OUTLIER) cc_final: 0.5981 (mt0) REVERT: B 4014 LYS cc_start: 0.6183 (OUTLIER) cc_final: 0.5737 (ptmt) REVERT: B 4087 LEU cc_start: 0.6163 (OUTLIER) cc_final: 0.5751 (tt) REVERT: B 4100 GLN cc_start: 0.5333 (OUTLIER) cc_final: 0.4458 (mm-40) REVERT: B 4110 PHE cc_start: 0.3507 (OUTLIER) cc_final: 0.2781 (m-80) REVERT: B 4125 PHE cc_start: 0.2401 (OUTLIER) cc_final: 0.1088 (p90) REVERT: B 4135 PRO cc_start: 0.7604 (OUTLIER) cc_final: 0.7323 (Cg_endo) REVERT: B 4159 ARG cc_start: 0.8833 (OUTLIER) cc_final: 0.8079 (mtm-85) REVERT: B 4172 GLU cc_start: 0.8227 (OUTLIER) cc_final: 0.7515 (mp0) REVERT: B 4232 GLU cc_start: 0.9026 (OUTLIER) cc_final: 0.8166 (tt0) REVERT: B 4244 GLU cc_start: 0.8934 (OUTLIER) cc_final: 0.8098 (mm-30) REVERT: B 4568 PHE cc_start: 0.8810 (OUTLIER) cc_final: 0.8000 (t80) REVERT: B 4632 LEU cc_start: 0.8811 (OUTLIER) cc_final: 0.8463 (tt) REVERT: B 4704 LEU cc_start: 0.9454 (OUTLIER) cc_final: 0.9063 (mp) REVERT: B 4718 LYS cc_start: 0.8938 (OUTLIER) cc_final: 0.8608 (mmtm) REVERT: B 4741 LEU cc_start: 0.9231 (OUTLIER) cc_final: 0.8718 (mp) REVERT: B 4796 MET cc_start: 0.8927 (OUTLIER) cc_final: 0.8056 (tpt) REVERT: B 4836 GLN cc_start: 0.9158 (OUTLIER) cc_final: 0.8349 (mt0) REVERT: B 4839 MET cc_start: 0.9237 (mmm) cc_final: 0.8955 (mtp) REVERT: B 4869 GLU cc_start: 0.9159 (OUTLIER) cc_final: 0.8555 (tm-30) REVERT: B 4952 GLU cc_start: 0.8430 (OUTLIER) cc_final: 0.7238 (tm-30) REVERT: C 23 GLN cc_start: 0.7232 (OUTLIER) cc_final: 0.7016 (pt0) REVERT: C 32 GLN cc_start: 0.7046 (OUTLIER) cc_final: 0.6392 (mp10) REVERT: C 65 CYS cc_start: 0.8429 (m) cc_final: 0.7917 (t) REVERT: C 169 LEU cc_start: 0.7023 (OUTLIER) cc_final: 0.6664 (mt) REVERT: C 197 GLN cc_start: 0.8400 (OUTLIER) cc_final: 0.7950 (tt0) REVERT: C 218 HIS cc_start: 0.7373 (OUTLIER) cc_final: 0.7006 (m90) REVERT: C 281 ARG cc_start: 0.5755 (OUTLIER) cc_final: 0.4604 (mtp180) REVERT: C 317 ARG cc_start: 0.7472 (OUTLIER) cc_final: 0.6404 (mmp80) REVERT: C 334 MET cc_start: 0.6946 (mmm) cc_final: 0.5962 (mmp) REVERT: C 346 CYS cc_start: 0.6171 (OUTLIER) cc_final: 0.5439 (p) REVERT: C 392 ARG cc_start: 0.5899 (OUTLIER) cc_final: 0.5508 (ptt-90) REVERT: C 396 GLU cc_start: 0.7195 (OUTLIER) cc_final: 0.6876 (pp20) REVERT: C 477 LEU cc_start: 0.8269 (OUTLIER) cc_final: 0.7982 (mt) REVERT: C 481 GLU cc_start: 0.7970 (OUTLIER) cc_final: 0.7289 (mp0) REVERT: C 484 LEU cc_start: 0.8656 (OUTLIER) cc_final: 0.8422 (tt) REVERT: C 503 PHE cc_start: 0.7942 (OUTLIER) cc_final: 0.7418 (m-80) REVERT: C 521 LEU cc_start: 0.8806 (OUTLIER) cc_final: 0.8062 (mp) REVERT: C 575 LEU cc_start: 0.9009 (OUTLIER) cc_final: 0.8768 (mp) REVERT: C 590 LEU cc_start: 0.9026 (OUTLIER) cc_final: 0.8790 (mt) REVERT: C 625 LEU cc_start: 0.5921 (OUTLIER) cc_final: 0.5190 (tp) REVERT: C 629 ARG cc_start: 0.8561 (OUTLIER) cc_final: 0.6575 (mmt90) REVERT: C 663 TYR cc_start: 0.3918 (OUTLIER) cc_final: 0.1054 (t80) REVERT: C 710 ASP cc_start: 0.8293 (OUTLIER) cc_final: 0.8055 (p0) REVERT: C 788 LYS cc_start: 0.5883 (OUTLIER) cc_final: 0.5557 (mtmt) REVERT: C 800 PHE cc_start: 0.6781 (OUTLIER) cc_final: 0.5573 (m-80) REVERT: C 801 LYS cc_start: 0.7807 (OUTLIER) cc_final: 0.6641 (mmtm) REVERT: C 802 PHE cc_start: 0.6640 (OUTLIER) cc_final: 0.5754 (m-80) REVERT: C 822 ARG cc_start: 0.6512 (OUTLIER) cc_final: 0.5223 (ptt-90) REVERT: C 831 ARG cc_start: 0.7765 (OUTLIER) cc_final: 0.7313 (ptp-110) REVERT: C 933 LEU cc_start: 0.4232 (OUTLIER) cc_final: 0.3939 (pp) REVERT: C 961 MET cc_start: 0.4955 (OUTLIER) cc_final: 0.4052 (ptm) REVERT: C 1106 ARG cc_start: 0.8283 (OUTLIER) cc_final: 0.7756 (mmt-90) REVERT: C 1127 HIS cc_start: 0.6717 (OUTLIER) cc_final: 0.5994 (t70) REVERT: C 1131 ARG cc_start: 0.7463 (OUTLIER) cc_final: 0.7240 (ptt180) REVERT: C 1137 GLU cc_start: 0.7896 (OUTLIER) cc_final: 0.7384 (mm-30) REVERT: C 1198 GLN cc_start: 0.7600 (OUTLIER) cc_final: 0.7304 (mp10) REVERT: C 1219 LEU cc_start: 0.7980 (OUTLIER) cc_final: 0.7403 (mm) REVERT: C 1259 ARG cc_start: 0.8571 (OUTLIER) cc_final: 0.7605 (mtt90) REVERT: C 1271 ARG cc_start: 0.7658 (OUTLIER) cc_final: 0.7092 (ttp-110) REVERT: C 1462 MET cc_start: 0.7700 (OUTLIER) cc_final: 0.7335 (tpt) REVERT: C 1600 LEU cc_start: 0.8900 (OUTLIER) cc_final: 0.7891 (tp) REVERT: C 1657 LEU cc_start: 0.9299 (OUTLIER) cc_final: 0.9019 (mp) REVERT: C 1668 ARG cc_start: 0.9074 (OUTLIER) cc_final: 0.8380 (ttm-80) REVERT: C 1671 ARG cc_start: 0.8647 (OUTLIER) cc_final: 0.8056 (mtm-85) REVERT: C 1700 ASP cc_start: 0.8605 (OUTLIER) cc_final: 0.8208 (m-30) REVERT: C 1720 LEU cc_start: 0.9061 (OUTLIER) cc_final: 0.8346 (mp) REVERT: C 1733 GLU cc_start: 0.8236 (OUTLIER) cc_final: 0.7116 (mt-10) REVERT: C 1772 ARG cc_start: 0.8792 (OUTLIER) cc_final: 0.8366 (mtt-85) REVERT: C 1782 PHE cc_start: 0.7203 (OUTLIER) cc_final: 0.6801 (p90) REVERT: C 1815 LEU cc_start: 0.9023 (OUTLIER) cc_final: 0.8293 (mp) REVERT: C 1930 LYS cc_start: 0.8663 (OUTLIER) cc_final: 0.8109 (ttpp) REVERT: C 2039 LEU cc_start: 0.8660 (OUTLIER) cc_final: 0.8289 (mp) REVERT: C 2092 GLN cc_start: 0.7614 (mm-40) cc_final: 0.7356 (mm110) REVERT: C 2161 GLN cc_start: 0.8704 (OUTLIER) cc_final: 0.7818 (tm-30) REVERT: C 2169 GLN cc_start: 0.8771 (OUTLIER) cc_final: 0.8022 (tt0) REVERT: C 2170 MET cc_start: 0.7717 (OUTLIER) cc_final: 0.6831 (tmm) REVERT: C 2197 LEU cc_start: 0.8503 (OUTLIER) cc_final: 0.8183 (mp) REVERT: C 2199 ARG cc_start: 0.8488 (OUTLIER) cc_final: 0.7316 (mtm-85) REVERT: C 2221 LYS cc_start: 0.6700 (OUTLIER) cc_final: 0.6190 (tttt) REVERT: C 2227 LYS cc_start: 0.8638 (OUTLIER) cc_final: 0.8309 (ttmm) REVERT: C 2244 ARG cc_start: 0.8092 (OUTLIER) cc_final: 0.7318 (mtp85) REVERT: C 2295 LEU cc_start: 0.7898 (OUTLIER) cc_final: 0.7557 (mm) REVERT: C 2296 GLU cc_start: 0.8798 (OUTLIER) cc_final: 0.8323 (tp30) REVERT: C 2377 LEU cc_start: 0.5112 (OUTLIER) cc_final: 0.4903 (mm) REVERT: C 2416 VAL cc_start: 0.8119 (OUTLIER) cc_final: 0.7882 (t) REVERT: C 3670 GLU cc_start: 0.8548 (OUTLIER) cc_final: 0.8006 (mp0) REVERT: C 3707 ARG cc_start: 0.8446 (OUTLIER) cc_final: 0.7650 (ptt90) REVERT: C 3758 MET cc_start: 0.7606 (tpp) cc_final: 0.7190 (tpp) REVERT: C 3837 GLN cc_start: 0.9011 (OUTLIER) cc_final: 0.8556 (mt0) REVERT: C 3873 LYS cc_start: 0.8231 (OUTLIER) cc_final: 0.7520 (tppt) REVERT: C 3904 ARG cc_start: 0.9179 (OUTLIER) cc_final: 0.8724 (ttp-110) REVERT: C 3916 ILE cc_start: 0.8820 (OUTLIER) cc_final: 0.8595 (mt) REVERT: C 3924 LEU cc_start: 0.8953 (OUTLIER) cc_final: 0.8590 (tt) REVERT: C 3970 GLN cc_start: 0.8238 (OUTLIER) cc_final: 0.7861 (tt0) REVERT: C 4005 GLN cc_start: 0.6952 (OUTLIER) cc_final: 0.5963 (mt0) REVERT: C 4014 LYS cc_start: 0.6144 (OUTLIER) cc_final: 0.5687 (ptmt) REVERT: C 4087 LEU cc_start: 0.6284 (OUTLIER) cc_final: 0.5976 (tt) REVERT: C 4100 GLN cc_start: 0.5337 (OUTLIER) cc_final: 0.4447 (mm-40) REVERT: C 4110 PHE cc_start: 0.3552 (OUTLIER) cc_final: 0.2835 (m-80) REVERT: C 4125 PHE cc_start: 0.2413 (OUTLIER) cc_final: 0.1332 (p90) REVERT: C 4135 PRO cc_start: 0.7590 (OUTLIER) cc_final: 0.7309 (Cg_endo) REVERT: C 4159 ARG cc_start: 0.8838 (OUTLIER) cc_final: 0.8103 (mtm-85) REVERT: C 4172 GLU cc_start: 0.8224 (OUTLIER) cc_final: 0.7501 (mp0) REVERT: C 4202 ARG cc_start: 0.8407 (OUTLIER) cc_final: 0.6796 (tpp80) REVERT: C 4232 GLU cc_start: 0.9037 (OUTLIER) cc_final: 0.8179 (tt0) REVERT: C 4244 GLU cc_start: 0.8929 (OUTLIER) cc_final: 0.8092 (mm-30) REVERT: C 4632 LEU cc_start: 0.8786 (OUTLIER) cc_final: 0.8449 (tt) REVERT: C 4704 LEU cc_start: 0.9456 (OUTLIER) cc_final: 0.9062 (mp) REVERT: C 4718 LYS cc_start: 0.8898 (OUTLIER) cc_final: 0.8584 (mmtm) REVERT: C 4741 LEU cc_start: 0.9239 (OUTLIER) cc_final: 0.8764 (mp) REVERT: C 4836 GLN cc_start: 0.9149 (OUTLIER) cc_final: 0.8355 (mt0) REVERT: C 4839 MET cc_start: 0.9217 (mmm) cc_final: 0.8950 (mtp) REVERT: C 4869 GLU cc_start: 0.9168 (OUTLIER) cc_final: 0.8556 (tm-30) REVERT: C 4948 GLU cc_start: 0.8809 (OUTLIER) cc_final: 0.8115 (mp0) REVERT: C 4952 GLU cc_start: 0.8424 (OUTLIER) cc_final: 0.7233 (tm-30) REVERT: D 65 CYS cc_start: 0.8407 (m) cc_final: 0.7903 (t) REVERT: D 169 LEU cc_start: 0.7015 (OUTLIER) cc_final: 0.6672 (mt) REVERT: D 189 LEU cc_start: 0.8278 (OUTLIER) cc_final: 0.8002 (mt) REVERT: D 197 GLN cc_start: 0.8429 (OUTLIER) cc_final: 0.7970 (tt0) REVERT: D 218 HIS cc_start: 0.7479 (OUTLIER) cc_final: 0.7061 (m90) REVERT: D 317 ARG cc_start: 0.7504 (OUTLIER) cc_final: 0.6439 (mmp80) REVERT: D 334 MET cc_start: 0.6929 (mmm) cc_final: 0.5953 (mmp) REVERT: D 346 CYS cc_start: 0.6208 (OUTLIER) cc_final: 0.5535 (p) REVERT: D 392 ARG cc_start: 0.5829 (OUTLIER) cc_final: 0.5377 (ptt-90) REVERT: D 396 GLU cc_start: 0.7296 (OUTLIER) cc_final: 0.6917 (pp20) REVERT: D 510 GLU cc_start: 0.6623 (OUTLIER) cc_final: 0.5949 (mm-30) REVERT: D 513 GLU cc_start: 0.8359 (mp0) cc_final: 0.8057 (mp0) REVERT: D 521 LEU cc_start: 0.8804 (OUTLIER) cc_final: 0.8056 (mp) REVERT: D 575 LEU cc_start: 0.9009 (OUTLIER) cc_final: 0.8774 (mp) REVERT: D 625 LEU cc_start: 0.5993 (OUTLIER) cc_final: 0.5210 (tp) REVERT: D 629 ARG cc_start: 0.8559 (OUTLIER) cc_final: 0.6381 (mmt90) REVERT: D 645 ARG cc_start: 0.6977 (OUTLIER) cc_final: 0.6604 (ptm160) REVERT: D 662 TRP cc_start: 0.5318 (m100) cc_final: 0.4737 (m100) REVERT: D 710 ASP cc_start: 0.8307 (OUTLIER) cc_final: 0.8042 (p0) REVERT: D 757 PHE cc_start: 0.7440 (OUTLIER) cc_final: 0.7105 (m-80) REVERT: D 788 LYS cc_start: 0.5905 (OUTLIER) cc_final: 0.5549 (mtmt) REVERT: D 800 PHE cc_start: 0.6305 (OUTLIER) cc_final: 0.5349 (m-10) REVERT: D 801 LYS cc_start: 0.6817 (OUTLIER) cc_final: 0.6525 (mmtt) REVERT: D 822 ARG cc_start: 0.6323 (OUTLIER) cc_final: 0.5056 (ptt-90) REVERT: D 831 ARG cc_start: 0.7785 (OUTLIER) cc_final: 0.7430 (ptp-110) REVERT: D 961 MET cc_start: 0.4887 (OUTLIER) cc_final: 0.4287 (ptt) REVERT: D 1127 HIS cc_start: 0.6742 (OUTLIER) cc_final: 0.5807 (t70) REVERT: D 1131 ARG cc_start: 0.7326 (OUTLIER) cc_final: 0.6845 (ptt180) REVERT: D 1137 GLU cc_start: 0.7961 (OUTLIER) cc_final: 0.7482 (mm-30) REVERT: D 1152 MET cc_start: 0.7305 (OUTLIER) cc_final: 0.7056 (mmm) REVERT: D 1198 GLN cc_start: 0.7601 (OUTLIER) cc_final: 0.7302 (mp10) REVERT: D 1259 ARG cc_start: 0.8588 (OUTLIER) cc_final: 0.7913 (mtt90) REVERT: D 1271 ARG cc_start: 0.7629 (OUTLIER) cc_final: 0.7086 (ttp-110) REVERT: D 1580 PHE cc_start: 0.8496 (OUTLIER) cc_final: 0.6388 (t80) REVERT: D 1600 LEU cc_start: 0.8909 (OUTLIER) cc_final: 0.7911 (tp) REVERT: D 1671 ARG cc_start: 0.8641 (OUTLIER) cc_final: 0.8045 (mtm-85) REVERT: D 1700 ASP cc_start: 0.8627 (OUTLIER) cc_final: 0.8246 (m-30) REVERT: D 1720 LEU cc_start: 0.9060 (OUTLIER) cc_final: 0.8347 (mp) REVERT: D 1733 GLU cc_start: 0.8237 (OUTLIER) cc_final: 0.7116 (mt-10) REVERT: D 1771 LEU cc_start: 0.9188 (OUTLIER) cc_final: 0.8967 (mp) REVERT: D 1772 ARG cc_start: 0.8785 (OUTLIER) cc_final: 0.8471 (mtt-85) REVERT: D 1782 PHE cc_start: 0.7140 (OUTLIER) cc_final: 0.6622 (p90) REVERT: D 1815 LEU cc_start: 0.9022 (OUTLIER) cc_final: 0.8313 (mp) REVERT: D 1930 LYS cc_start: 0.8643 (OUTLIER) cc_final: 0.8075 (ttpp) REVERT: D 1981 MET cc_start: 0.6071 (mpp) cc_final: 0.5206 (mtt) REVERT: D 2039 LEU cc_start: 0.8679 (OUTLIER) cc_final: 0.8260 (mp) REVERT: D 2092 GLN cc_start: 0.7578 (mm-40) cc_final: 0.7332 (mm110) REVERT: D 2161 GLN cc_start: 0.8699 (OUTLIER) cc_final: 0.7814 (tm-30) REVERT: D 2169 GLN cc_start: 0.8784 (OUTLIER) cc_final: 0.8030 (tt0) REVERT: D 2170 MET cc_start: 0.7746 (OUTLIER) cc_final: 0.6884 (tmm) REVERT: D 2173 GLN cc_start: 0.7963 (OUTLIER) cc_final: 0.7740 (tt0) REVERT: D 2197 LEU cc_start: 0.8481 (OUTLIER) cc_final: 0.8154 (mp) REVERT: D 2199 ARG cc_start: 0.8489 (OUTLIER) cc_final: 0.7255 (mtm-85) REVERT: D 2221 LYS cc_start: 0.6428 (OUTLIER) cc_final: 0.5926 (tttt) REVERT: D 2227 LYS cc_start: 0.8644 (OUTLIER) cc_final: 0.8304 (ttmm) REVERT: D 2244 ARG cc_start: 0.8086 (OUTLIER) cc_final: 0.7347 (mtp85) REVERT: D 2295 LEU cc_start: 0.7916 (OUTLIER) cc_final: 0.7584 (mm) REVERT: D 2296 GLU cc_start: 0.8804 (OUTLIER) cc_final: 0.8331 (tp30) REVERT: D 2377 LEU cc_start: 0.5303 (OUTLIER) cc_final: 0.5071 (mm) REVERT: D 2416 VAL cc_start: 0.8118 (OUTLIER) cc_final: 0.7880 (t) REVERT: D 2458 ARG cc_start: 0.7314 (OUTLIER) cc_final: 0.6917 (tpm170) REVERT: D 3670 GLU cc_start: 0.8538 (OUTLIER) cc_final: 0.8234 (mp0) REVERT: D 3758 MET cc_start: 0.7608 (tpp) cc_final: 0.7186 (tpp) REVERT: D 3787 LYS cc_start: 0.9172 (OUTLIER) cc_final: 0.8632 (mttp) REVERT: D 3837 GLN cc_start: 0.9057 (OUTLIER) cc_final: 0.8648 (mt0) REVERT: D 3904 ARG cc_start: 0.9192 (OUTLIER) cc_final: 0.8726 (ttp-110) REVERT: D 3916 ILE cc_start: 0.8825 (OUTLIER) cc_final: 0.8596 (mt) REVERT: D 3924 LEU cc_start: 0.8968 (OUTLIER) cc_final: 0.8604 (tt) REVERT: D 3970 GLN cc_start: 0.8247 (OUTLIER) cc_final: 0.7863 (tt0) REVERT: D 4005 GLN cc_start: 0.6973 (OUTLIER) cc_final: 0.5987 (mp10) REVERT: D 4014 LYS cc_start: 0.6152 (OUTLIER) cc_final: 0.5710 (ptmt) REVERT: D 4087 LEU cc_start: 0.6260 (OUTLIER) cc_final: 0.5958 (tt) REVERT: D 4100 GLN cc_start: 0.5453 (OUTLIER) cc_final: 0.4599 (mm-40) REVERT: D 4110 PHE cc_start: 0.3451 (OUTLIER) cc_final: 0.2771 (m-80) REVERT: D 4125 PHE cc_start: 0.2650 (OUTLIER) cc_final: 0.1700 (p90) REVERT: D 4135 PRO cc_start: 0.7604 (OUTLIER) cc_final: 0.7324 (Cg_endo) REVERT: D 4159 ARG cc_start: 0.8840 (OUTLIER) cc_final: 0.8125 (mtm-85) REVERT: D 4172 GLU cc_start: 0.8216 (OUTLIER) cc_final: 0.7496 (mp0) REVERT: D 4232 GLU cc_start: 0.9023 (OUTLIER) cc_final: 0.8161 (tt0) REVERT: D 4244 GLU cc_start: 0.8916 (OUTLIER) cc_final: 0.8057 (mm-30) REVERT: D 4568 PHE cc_start: 0.8817 (OUTLIER) cc_final: 0.8000 (t80) REVERT: D 4632 LEU cc_start: 0.8832 (OUTLIER) cc_final: 0.8481 (tt) REVERT: D 4704 LEU cc_start: 0.9459 (OUTLIER) cc_final: 0.9061 (mp) REVERT: D 4718 LYS cc_start: 0.8907 (OUTLIER) cc_final: 0.8573 (mmtm) REVERT: D 4741 LEU cc_start: 0.9246 (OUTLIER) cc_final: 0.8766 (mp) REVERT: D 4836 GLN cc_start: 0.9154 (OUTLIER) cc_final: 0.8356 (mt0) REVERT: D 4839 MET cc_start: 0.9214 (mmm) cc_final: 0.8955 (mtp) REVERT: D 4874 MET cc_start: 0.9334 (OUTLIER) cc_final: 0.8282 (mmm) REVERT: D 4948 GLU cc_start: 0.8809 (OUTLIER) cc_final: 0.8154 (mp0) outliers start: 2360 outliers final: 1695 residues processed: 2977 average time/residue: 0.8882 time to fit residues: 4683.4892 Evaluate side-chains 2893 residues out of total 10876 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2047 poor density : 846 time to evaluate : 8.663 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 13 PHE Chi-restraints excluded: chain A residue 18 ASP Chi-restraints excluded: chain A residue 24 CYS Chi-restraints excluded: chain A residue 25 SER 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 47 CYS Chi-restraints excluded: chain A residue 54 ASN Chi-restraints excluded: chain A residue 58 VAL Chi-restraints excluded: chain A residue 66 CYS Chi-restraints excluded: chain A residue 75 VAL Chi-restraints excluded: chain A residue 78 LEU Chi-restraints excluded: chain A residue 82 LEU Chi-restraints excluded: chain A residue 99 ARG Chi-restraints excluded: chain A residue 109 LEU Chi-restraints excluded: chain A residue 115 ARG Chi-restraints excluded: chain A residue 119 SER Chi-restraints excluded: chain A residue 120 CYS Chi-restraints excluded: chain A residue 125 ARG Chi-restraints excluded: chain A residue 128 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 146 CYS Chi-restraints excluded: chain A residue 149 THR Chi-restraints excluded: chain A residue 156 GLN Chi-restraints excluded: chain A residue 167 ASP Chi-restraints excluded: chain A residue 169 LEU Chi-restraints excluded: chain A residue 184 THR Chi-restraints excluded: chain A residue 188 GLU Chi-restraints excluded: chain A residue 189 LEU Chi-restraints excluded: chain A residue 190 GLN Chi-restraints excluded: chain A residue 197 GLN Chi-restraints excluded: chain A residue 203 ASN Chi-restraints excluded: chain A residue 205 ILE Chi-restraints excluded: chain A residue 210 GLU Chi-restraints excluded: chain A residue 214 VAL Chi-restraints excluded: chain A residue 215 THR Chi-restraints excluded: chain A residue 218 HIS Chi-restraints excluded: chain A residue 220 LEU Chi-restraints excluded: chain A residue 232 THR Chi-restraints excluded: chain A residue 253 CYS Chi-restraints excluded: chain A residue 255 HIS Chi-restraints excluded: chain A residue 257 ARG Chi-restraints excluded: chain A residue 258 SER Chi-restraints excluded: chain A residue 264 PRO Chi-restraints excluded: chain A residue 266 ARG Chi-restraints excluded: chain A residue 268 SER Chi-restraints excluded: chain A residue 272 SER Chi-restraints excluded: chain A residue 276 TRP Chi-restraints excluded: chain A residue 281 ARG Chi-restraints excluded: chain A residue 286 THR Chi-restraints excluded: chain A residue 290 TYR Chi-restraints excluded: chain A residue 291 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 305 CYS Chi-restraints excluded: chain A residue 309 THR Chi-restraints excluded: chain A residue 312 THR Chi-restraints excluded: chain A residue 315 CYS Chi-restraints excluded: chain A residue 317 ARG Chi-restraints excluded: chain A residue 318 VAL Chi-restraints excluded: chain A residue 319 SER Chi-restraints excluded: chain A residue 320 LYS Chi-restraints excluded: chain A residue 321 GLU Chi-restraints excluded: chain A residue 322 LYS Chi-restraints excluded: chain A residue 346 CYS Chi-restraints excluded: chain A residue 348 VAL Chi-restraints excluded: chain A residue 353 SER Chi-restraints excluded: chain A residue 358 THR Chi-restraints excluded: chain A residue 359 TYR Chi-restraints excluded: chain A residue 363 ASP Chi-restraints excluded: chain A residue 377 ILE Chi-restraints excluded: chain A residue 386 ASP Chi-restraints excluded: chain A residue 389 PHE Chi-restraints excluded: chain A residue 392 ARG Chi-restraints excluded: chain A residue 397 GLU Chi-restraints excluded: chain A residue 404 ILE Chi-restraints excluded: chain A residue 405 HIS Chi-restraints excluded: chain A residue 407 THR Chi-restraints excluded: chain A residue 413 GLN Chi-restraints excluded: chain A residue 420 SER Chi-restraints excluded: chain A residue 441 VAL Chi-restraints excluded: chain A residue 442 ILE Chi-restraints excluded: chain A residue 447 ASP Chi-restraints excluded: chain A residue 448 LEU Chi-restraints excluded: chain A residue 456 SER Chi-restraints excluded: chain A residue 470 SER Chi-restraints excluded: chain A residue 473 ASN Chi-restraints excluded: chain A residue 487 VAL Chi-restraints excluded: chain A residue 494 LEU Chi-restraints excluded: chain A residue 495 ASN Chi-restraints excluded: chain A residue 496 VAL Chi-restraints excluded: chain A residue 505 GLU Chi-restraints excluded: chain A residue 510 GLU Chi-restraints excluded: chain A residue 521 LEU Chi-restraints excluded: chain A residue 528 SER 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 540 PHE Chi-restraints excluded: chain A residue 545 ASP Chi-restraints excluded: chain A residue 549 SER Chi-restraints excluded: chain A residue 560 ILE Chi-restraints excluded: chain A residue 569 ILE Chi-restraints excluded: chain A residue 575 LEU Chi-restraints excluded: chain A residue 577 ILE Chi-restraints excluded: chain A residue 578 ILE Chi-restraints excluded: chain A residue 580 GLU Chi-restraints excluded: chain A residue 587 ILE Chi-restraints excluded: chain A residue 593 HIS Chi-restraints excluded: chain A residue 612 VAL Chi-restraints excluded: chain A residue 621 ILE Chi-restraints excluded: chain A residue 625 LEU Chi-restraints excluded: chain A residue 629 ARG Chi-restraints excluded: chain A residue 637 LEU Chi-restraints excluded: chain A residue 652 ARG Chi-restraints excluded: chain A residue 657 THR Chi-restraints excluded: chain A residue 659 TYR Chi-restraints excluded: chain A residue 663 TYR Chi-restraints excluded: chain A residue 666 VAL Chi-restraints excluded: chain A residue 667 MET Chi-restraints excluded: chain A residue 668 VAL Chi-restraints excluded: chain A residue 671 VAL Chi-restraints excluded: chain A residue 675 LEU 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 707 VAL Chi-restraints excluded: chain A residue 709 ASP Chi-restraints excluded: chain A residue 710 ASP Chi-restraints excluded: chain A residue 719 LEU Chi-restraints excluded: chain A residue 721 LEU Chi-restraints excluded: chain A residue 723 THR Chi-restraints excluded: chain A residue 735 GLN Chi-restraints excluded: chain A residue 751 SER Chi-restraints excluded: chain A residue 752 VAL Chi-restraints excluded: chain A residue 755 ILE Chi-restraints excluded: chain A residue 756 SER Chi-restraints excluded: chain A residue 758 ARG Chi-restraints excluded: chain A residue 760 ASN Chi-restraints excluded: chain A residue 768 PHE Chi-restraints excluded: chain A residue 773 LEU Chi-restraints excluded: chain A residue 781 VAL Chi-restraints excluded: chain A residue 800 PHE Chi-restraints excluded: chain A residue 801 LYS Chi-restraints excluded: chain A residue 802 PHE Chi-restraints excluded: chain A residue 803 LEU Chi-restraints excluded: chain A residue 822 ARG Chi-restraints excluded: chain A residue 823 LEU Chi-restraints excluded: chain A residue 826 ILE Chi-restraints excluded: chain A residue 831 ARG Chi-restraints excluded: chain A residue 840 VAL Chi-restraints excluded: chain A residue 850 ASP Chi-restraints excluded: chain A residue 925 SER Chi-restraints excluded: chain A residue 932 LEU Chi-restraints excluded: chain A residue 933 LEU Chi-restraints excluded: chain A residue 961 MET Chi-restraints excluded: chain A residue 974 HIS Chi-restraints excluded: chain A residue 978 THR Chi-restraints excluded: chain A residue 1029 GLU Chi-restraints excluded: chain A residue 1043 VAL Chi-restraints excluded: chain A residue 1072 VAL Chi-restraints excluded: chain A residue 1074 ILE Chi-restraints excluded: chain A residue 1085 SER 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 1106 ARG Chi-restraints excluded: chain A residue 1113 VAL Chi-restraints excluded: chain A residue 1114 GLU Chi-restraints excluded: chain A residue 1123 VAL Chi-restraints excluded: chain A residue 1127 HIS Chi-restraints excluded: chain A residue 1131 ARG Chi-restraints excluded: chain A residue 1137 GLU Chi-restraints excluded: chain A residue 1141 ARG Chi-restraints excluded: chain A residue 1143 TRP Chi-restraints excluded: chain A residue 1145 SER Chi-restraints excluded: chain A residue 1147 ASP Chi-restraints excluded: chain A residue 1151 CYS Chi-restraints excluded: chain A residue 1153 ILE Chi-restraints excluded: chain A residue 1154 ASP Chi-restraints excluded: chain A residue 1155 LEU Chi-restraints excluded: chain A residue 1163 THR Chi-restraints excluded: chain A residue 1164 LEU Chi-restraints excluded: chain A residue 1168 VAL Chi-restraints excluded: chain A residue 1171 SER Chi-restraints excluded: chain A residue 1173 SER Chi-restraints excluded: chain A residue 1190 PRO Chi-restraints excluded: chain A residue 1192 CYS Chi-restraints excluded: chain A residue 1193 SER Chi-restraints excluded: chain A residue 1198 GLN Chi-restraints excluded: chain A residue 1202 LEU Chi-restraints excluded: chain A residue 1204 LEU Chi-restraints excluded: chain A residue 1208 VAL Chi-restraints excluded: chain A residue 1216 ILE Chi-restraints excluded: chain A residue 1219 LEU Chi-restraints excluded: chain A residue 1234 VAL Chi-restraints excluded: chain A residue 1238 PHE Chi-restraints excluded: chain A residue 1241 SER 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 1259 ARG Chi-restraints excluded: chain A residue 1269 CYS Chi-restraints excluded: chain A residue 1271 ARG Chi-restraints excluded: chain A residue 1272 LEU Chi-restraints excluded: chain A residue 1282 SER Chi-restraints excluded: chain A residue 1283 LEU Chi-restraints excluded: chain A residue 1287 LEU Chi-restraints excluded: chain A residue 1293 LEU Chi-restraints excluded: chain A residue 1431 THR Chi-restraints excluded: chain A residue 1439 VAL Chi-restraints excluded: chain A residue 1444 GLU Chi-restraints excluded: chain A residue 1453 VAL Chi-restraints excluded: chain A residue 1457 TYR Chi-restraints excluded: chain A residue 1460 HIS Chi-restraints excluded: chain A residue 1462 MET Chi-restraints excluded: chain A residue 1466 LEU Chi-restraints excluded: chain A residue 1467 SER Chi-restraints excluded: chain A residue 1469 VAL Chi-restraints excluded: chain A residue 1483 VAL Chi-restraints excluded: chain A residue 1485 SER Chi-restraints excluded: chain A residue 1486 SER Chi-restraints excluded: chain A residue 1576 SER Chi-restraints excluded: chain A residue 1580 PHE Chi-restraints excluded: chain A residue 1595 LEU Chi-restraints excluded: chain A residue 1597 VAL Chi-restraints excluded: chain A residue 1599 MET Chi-restraints excluded: chain A residue 1600 LEU Chi-restraints excluded: chain A residue 1603 VAL Chi-restraints excluded: chain A residue 1607 ARG Chi-restraints excluded: chain A residue 1610 ASN Chi-restraints excluded: chain A residue 1632 ASP Chi-restraints excluded: chain A residue 1634 LEU Chi-restraints excluded: chain A residue 1636 MET Chi-restraints excluded: chain A residue 1642 PRO Chi-restraints excluded: chain A residue 1647 CYS 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 1671 ARG Chi-restraints excluded: chain A residue 1673 VAL Chi-restraints excluded: chain A residue 1679 ASN Chi-restraints excluded: chain A residue 1685 LEU Chi-restraints excluded: chain A residue 1687 SER Chi-restraints excluded: chain A residue 1698 LEU Chi-restraints excluded: chain A residue 1699 GLU Chi-restraints excluded: chain A residue 1700 ASP Chi-restraints excluded: chain A residue 1704 PRO Chi-restraints excluded: chain A residue 1706 PRO Chi-restraints excluded: chain A residue 1717 SER Chi-restraints excluded: chain A residue 1720 LEU Chi-restraints excluded: chain A residue 1733 GLU Chi-restraints excluded: chain A residue 1736 VAL Chi-restraints excluded: chain A residue 1738 LEU Chi-restraints excluded: chain A residue 1739 THR Chi-restraints excluded: chain A residue 1760 HIS Chi-restraints excluded: chain A residue 1770 SER Chi-restraints excluded: chain A residue 1771 LEU Chi-restraints excluded: chain A residue 1772 ARG Chi-restraints excluded: chain A residue 1778 SER Chi-restraints excluded: chain A residue 1802 ILE Chi-restraints excluded: chain A residue 1812 LEU Chi-restraints excluded: chain A residue 1815 LEU Chi-restraints excluded: chain A residue 1830 VAL Chi-restraints excluded: chain A residue 1834 VAL Chi-restraints excluded: chain A residue 1835 GLU Chi-restraints excluded: chain A residue 1837 GLN Chi-restraints excluded: chain A residue 1849 LEU Chi-restraints excluded: chain A residue 1857 GLU Chi-restraints excluded: chain A residue 1858 ASP Chi-restraints excluded: chain A residue 1869 GLU Chi-restraints excluded: chain A residue 1872 THR Chi-restraints excluded: chain A residue 1873 GLU Chi-restraints excluded: chain A residue 1929 MET Chi-restraints excluded: chain A residue 1930 LYS Chi-restraints excluded: chain A residue 1934 SER Chi-restraints excluded: chain A residue 1955 VAL Chi-restraints excluded: chain A residue 1961 PHE Chi-restraints excluded: chain A residue 1966 VAL Chi-restraints excluded: chain A residue 1969 LEU Chi-restraints excluded: chain A residue 1981 MET Chi-restraints excluded: chain A residue 1987 SER Chi-restraints excluded: chain A residue 1993 ARG Chi-restraints excluded: chain A residue 1996 ARG Chi-restraints excluded: chain A residue 2020 ASP Chi-restraints excluded: chain A residue 2027 ILE Chi-restraints excluded: chain A residue 2037 ASP Chi-restraints excluded: chain A residue 2039 LEU Chi-restraints excluded: chain A residue 2093 SER Chi-restraints excluded: chain A residue 2094 LEU Chi-restraints excluded: chain A residue 2095 GLN Chi-restraints excluded: chain A residue 2097 LEU Chi-restraints excluded: chain A residue 2098 VAL Chi-restraints excluded: chain A residue 2111 VAL Chi-restraints excluded: chain A residue 2120 MET Chi-restraints excluded: chain A residue 2122 SER Chi-restraints excluded: chain A residue 2136 ARG 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 2156 LEU Chi-restraints excluded: chain A residue 2161 GLN Chi-restraints excluded: chain A residue 2166 LEU Chi-restraints excluded: chain A residue 2167 ILE Chi-restraints excluded: chain A residue 2169 GLN Chi-restraints excluded: chain A residue 2170 MET Chi-restraints excluded: chain A residue 2175 GLU Chi-restraints excluded: chain A residue 2186 MET Chi-restraints excluded: chain A residue 2187 ASN Chi-restraints excluded: chain A residue 2197 LEU Chi-restraints excluded: chain A residue 2199 ARG Chi-restraints excluded: chain A residue 2221 LYS Chi-restraints excluded: chain A residue 2227 LYS Chi-restraints excluded: chain A residue 2228 MET Chi-restraints excluded: chain A residue 2229 VAL Chi-restraints excluded: chain A residue 2230 THR Chi-restraints excluded: chain A residue 2231 SER Chi-restraints excluded: chain A residue 2238 TYR Chi-restraints excluded: chain A residue 2241 ARG Chi-restraints excluded: chain A residue 2242 ILE Chi-restraints excluded: chain A residue 2244 ARG Chi-restraints excluded: chain A residue 2249 SER Chi-restraints excluded: chain A residue 2252 ASP Chi-restraints excluded: chain A residue 2259 GLU Chi-restraints excluded: chain A residue 2270 SER Chi-restraints excluded: chain A residue 2274 ASP Chi-restraints excluded: chain A residue 2275 VAL Chi-restraints excluded: chain A residue 2280 VAL Chi-restraints excluded: chain A residue 2281 ILE Chi-restraints excluded: chain A residue 2284 ASN Chi-restraints excluded: chain A residue 2290 LEU Chi-restraints excluded: chain A residue 2293 GLN Chi-restraints excluded: chain A residue 2294 ASP Chi-restraints excluded: chain A residue 2295 LEU Chi-restraints excluded: chain A residue 2296 GLU Chi-restraints excluded: chain A residue 2299 VAL Chi-restraints excluded: chain A residue 2300 SER Chi-restraints excluded: chain A residue 2309 SER Chi-restraints excluded: chain A residue 2312 MET Chi-restraints excluded: chain A residue 2314 LEU Chi-restraints excluded: chain A residue 2324 ASN Chi-restraints excluded: chain A residue 2333 ASP Chi-restraints excluded: chain A residue 2336 ARG Chi-restraints excluded: chain A residue 2341 VAL Chi-restraints excluded: chain A residue 2345 SER Chi-restraints excluded: chain A residue 2346 VAL Chi-restraints excluded: chain A residue 2352 VAL Chi-restraints excluded: chain A residue 2353 VAL Chi-restraints excluded: chain A residue 2368 LEU Chi-restraints excluded: chain A residue 2416 VAL Chi-restraints excluded: chain A residue 2423 MET Chi-restraints excluded: chain A residue 2430 ILE Chi-restraints excluded: chain A residue 2442 LEU Chi-restraints excluded: chain A residue 2454 ARG Chi-restraints excluded: chain A residue 2458 ARG Chi-restraints excluded: chain A residue 2460 LEU Chi-restraints excluded: chain A residue 2461 VAL Chi-restraints excluded: chain A residue 2479 LEU Chi-restraints excluded: chain A residue 3644 LEU Chi-restraints excluded: chain A residue 3652 MET Chi-restraints excluded: chain A residue 3656 SER Chi-restraints excluded: chain A residue 3661 TRP Chi-restraints excluded: chain A residue 3662 ILE Chi-restraints excluded: chain A residue 3663 LEU Chi-restraints excluded: chain A residue 3669 PHE Chi-restraints excluded: chain A residue 3682 GLU Chi-restraints excluded: chain A residue 3696 ASP Chi-restraints excluded: chain A residue 3707 ARG Chi-restraints excluded: chain A residue 3711 THR Chi-restraints excluded: chain A residue 3719 ASP Chi-restraints excluded: chain A residue 3732 SER Chi-restraints excluded: chain A residue 3752 SER Chi-restraints excluded: chain A residue 3754 GLU Chi-restraints excluded: chain A residue 3756 LYS Chi-restraints excluded: chain A residue 3764 LEU Chi-restraints excluded: chain A residue 3772 THR Chi-restraints excluded: chain A residue 3779 VAL Chi-restraints excluded: chain A residue 3787 LYS Chi-restraints excluded: chain A residue 3793 MET Chi-restraints excluded: chain A residue 3795 SER Chi-restraints excluded: chain A residue 3803 SER Chi-restraints excluded: chain A residue 3822 ASP Chi-restraints excluded: chain A residue 3826 VAL Chi-restraints excluded: chain A residue 3837 GLN Chi-restraints excluded: chain A residue 3869 GLN Chi-restraints excluded: chain A residue 3873 LYS Chi-restraints excluded: chain A residue 3875 MET Chi-restraints excluded: chain A residue 3881 THR Chi-restraints excluded: chain A residue 3893 GLU Chi-restraints excluded: chain A residue 3904 ARG Chi-restraints excluded: chain A residue 3907 THR Chi-restraints excluded: chain A residue 3916 ILE Chi-restraints excluded: chain A residue 3924 LEU Chi-restraints excluded: chain A residue 3929 SER Chi-restraints excluded: chain A residue 3930 ILE Chi-restraints excluded: chain A residue 3933 PHE Chi-restraints excluded: chain A residue 3938 SER Chi-restraints excluded: chain A residue 3942 VAL Chi-restraints excluded: chain A residue 3945 GLU Chi-restraints excluded: chain A residue 3952 SER Chi-restraints excluded: chain A residue 3969 ILE Chi-restraints excluded: chain A residue 3970 GLN Chi-restraints excluded: chain A residue 3995 VAL Chi-restraints excluded: chain A residue 4005 GLN Chi-restraints excluded: chain A residue 4008 SER Chi-restraints excluded: chain A residue 4012 LEU Chi-restraints excluded: chain A residue 4015 GLU Chi-restraints excluded: chain A residue 4018 ASP Chi-restraints excluded: chain A residue 4019 LEU Chi-restraints excluded: chain A residue 4026 MET 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 4048 LEU Chi-restraints excluded: chain A residue 4049 VAL Chi-restraints excluded: chain A residue 4051 SER Chi-restraints excluded: chain A residue 4052 SER Chi-restraints excluded: chain A residue 4053 SER Chi-restraints excluded: chain A residue 4055 VAL Chi-restraints excluded: chain A residue 4064 MET Chi-restraints excluded: chain A residue 4067 LYS Chi-restraints excluded: chain A residue 4072 VAL Chi-restraints excluded: chain A residue 4100 GLN Chi-restraints excluded: chain A residue 4102 GLN Chi-restraints excluded: chain A residue 4103 PHE Chi-restraints excluded: chain A residue 4107 GLU Chi-restraints excluded: chain A residue 4109 GLN Chi-restraints excluded: chain A residue 4110 PHE Chi-restraints excluded: chain A residue 4113 SER Chi-restraints excluded: chain A residue 4120 ASN Chi-restraints excluded: chain A residue 4125 PHE Chi-restraints excluded: chain A residue 4127 GLU Chi-restraints excluded: chain A residue 4135 PRO Chi-restraints excluded: chain A residue 4139 ILE Chi-restraints excluded: chain A residue 4145 VAL Chi-restraints excluded: chain A residue 4154 VAL Chi-restraints excluded: chain A residue 4159 ARG Chi-restraints excluded: chain A residue 4170 ILE Chi-restraints excluded: chain A residue 4172 GLU Chi-restraints excluded: chain A residue 4176 PRO Chi-restraints excluded: chain A residue 4178 LEU Chi-restraints excluded: chain A residue 4184 MET Chi-restraints excluded: chain A residue 4196 GLU Chi-restraints excluded: chain A residue 4200 THR Chi-restraints excluded: chain A residue 4220 ASP Chi-restraints excluded: chain A residue 4221 VAL Chi-restraints excluded: chain A residue 4232 GLU Chi-restraints excluded: chain A residue 4242 ILE Chi-restraints excluded: chain A residue 4244 GLU Chi-restraints excluded: chain A residue 4251 ILE Chi-restraints excluded: chain A residue 4546 VAL 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 4565 LEU Chi-restraints excluded: chain A residue 4568 PHE Chi-restraints excluded: chain A residue 4582 VAL Chi-restraints excluded: chain A residue 4632 LEU Chi-restraints excluded: chain A residue 4634 GLU Chi-restraints excluded: chain A residue 4645 CYS Chi-restraints excluded: chain A residue 4647 SER Chi-restraints excluded: chain A residue 4648 LEU Chi-restraints excluded: chain A residue 4653 VAL Chi-restraints excluded: chain A residue 4662 ASN Chi-restraints excluded: chain A residue 4667 PRO Chi-restraints excluded: chain A residue 4669 VAL Chi-restraints excluded: chain A residue 4688 ILE Chi-restraints excluded: chain A residue 4689 THR Chi-restraints excluded: chain A residue 4694 ASP Chi-restraints excluded: chain A residue 4695 ASP Chi-restraints excluded: chain A residue 4698 LYS Chi-restraints excluded: chain A residue 4704 LEU Chi-restraints excluded: chain A residue 4707 ASN Chi-restraints excluded: chain A residue 4710 SER Chi-restraints excluded: chain A residue 4713 SER Chi-restraints excluded: chain A residue 4718 LYS Chi-restraints excluded: chain A residue 4722 ARG Chi-restraints excluded: chain A residue 4737 ILE Chi-restraints excluded: chain A residue 4741 LEU Chi-restraints excluded: chain A residue 4743 MET Chi-restraints excluded: chain A residue 4745 LEU Chi-restraints excluded: chain A residue 4766 THR Chi-restraints excluded: chain A residue 4788 SER Chi-restraints excluded: chain A residue 4796 MET Chi-restraints excluded: chain A residue 4816 ILE Chi-restraints excluded: chain A residue 4818 MET Chi-restraints excluded: chain A residue 4825 THR Chi-restraints excluded: chain A residue 4836 GLN Chi-restraints excluded: chain A residue 4838 VAL Chi-restraints excluded: chain A residue 4850 LEU Chi-restraints excluded: chain A residue 4879 MET Chi-restraints excluded: chain A residue 4880 MET Chi-restraints excluded: chain A residue 4881 THR Chi-restraints excluded: chain A residue 4901 ILE Chi-restraints excluded: chain A residue 4918 ILE Chi-restraints excluded: chain A residue 4919 THR Chi-restraints excluded: chain A residue 4948 GLU Chi-restraints excluded: chain A residue 4952 GLU Chi-restraints excluded: chain A residue 4954 MET Chi-restraints excluded: chain A residue 4956 THR Chi-restraints excluded: chain A residue 4957 LYS Chi-restraints excluded: chain A residue 4961 CYS Chi-restraints excluded: chain A residue 4965 SER Chi-restraints excluded: chain A residue 4966 ASP Chi-restraints excluded: chain A residue 4980 LEU Chi-restraints excluded: chain A residue 4992 LEU Chi-restraints excluded: chain A residue 5002 GLU Chi-restraints excluded: chain A residue 5008 SER Chi-restraints excluded: chain A residue 5023 PRO Chi-restraints excluded: chain B residue 13 PHE Chi-restraints excluded: chain B residue 18 ASP Chi-restraints excluded: chain B residue 23 GLN Chi-restraints excluded: chain B residue 24 CYS Chi-restraints excluded: chain B residue 25 SER Chi-restraints excluded: chain B residue 32 GLN Chi-restraints excluded: chain B residue 33 LEU Chi-restraints excluded: chain B residue 35 LEU Chi-restraints excluded: chain B residue 47 CYS Chi-restraints excluded: chain B residue 54 ASN Chi-restraints excluded: chain B residue 66 CYS Chi-restraints excluded: chain B residue 75 VAL Chi-restraints excluded: chain B residue 78 LEU Chi-restraints excluded: chain B residue 81 MET Chi-restraints excluded: chain B residue 82 LEU Chi-restraints excluded: chain B residue 99 ARG Chi-restraints excluded: chain B residue 109 LEU Chi-restraints excluded: chain B residue 115 ARG Chi-restraints excluded: chain B residue 119 SER Chi-restraints excluded: chain B residue 120 CYS Chi-restraints excluded: chain B residue 125 ARG Chi-restraints excluded: chain B residue 128 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 146 CYS Chi-restraints excluded: chain B residue 149 THR Chi-restraints excluded: chain B residue 156 GLN Chi-restraints excluded: chain B residue 167 ASP Chi-restraints excluded: chain B residue 169 LEU Chi-restraints excluded: chain B residue 184 THR Chi-restraints excluded: chain B residue 188 GLU Chi-restraints excluded: chain B residue 189 LEU Chi-restraints excluded: chain B residue 190 GLN Chi-restraints excluded: chain B residue 197 GLN Chi-restraints excluded: chain B residue 202 MET Chi-restraints excluded: chain B residue 203 ASN Chi-restraints excluded: chain B residue 205 ILE Chi-restraints excluded: chain B residue 210 GLU Chi-restraints excluded: chain B residue 214 VAL Chi-restraints excluded: chain B residue 215 THR Chi-restraints excluded: chain B residue 218 HIS Chi-restraints excluded: chain B residue 220 LEU Chi-restraints excluded: chain B residue 232 THR Chi-restraints excluded: chain B residue 253 CYS Chi-restraints excluded: chain B residue 255 HIS Chi-restraints excluded: chain B residue 257 ARG Chi-restraints excluded: chain B residue 264 PRO Chi-restraints excluded: chain B residue 265 LEU Chi-restraints excluded: chain B residue 266 ARG Chi-restraints excluded: chain B residue 268 SER Chi-restraints excluded: chain B residue 272 SER Chi-restraints excluded: chain B residue 276 TRP Chi-restraints excluded: chain B residue 281 ARG Chi-restraints excluded: chain B residue 285 VAL Chi-restraints excluded: chain B residue 290 TYR Chi-restraints excluded: chain B residue 291 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 305 CYS Chi-restraints excluded: chain B residue 309 THR Chi-restraints excluded: chain B residue 310 LYS Chi-restraints excluded: chain B residue 312 THR Chi-restraints excluded: chain B residue 315 CYS Chi-restraints excluded: chain B residue 317 ARG Chi-restraints excluded: chain B residue 318 VAL Chi-restraints excluded: chain B residue 319 SER Chi-restraints excluded: chain B residue 320 LYS Chi-restraints excluded: chain B residue 321 GLU Chi-restraints excluded: chain B residue 322 LYS Chi-restraints excluded: chain B residue 346 CYS Chi-restraints excluded: chain B residue 348 VAL Chi-restraints excluded: chain B residue 353 SER Chi-restraints excluded: chain B residue 358 THR Chi-restraints excluded: chain B residue 359 TYR Chi-restraints excluded: chain B residue 363 ASP Chi-restraints excluded: chain B residue 377 ILE Chi-restraints excluded: chain B residue 384 MET Chi-restraints excluded: chain B residue 386 ASP Chi-restraints excluded: chain B residue 389 PHE Chi-restraints excluded: chain B residue 392 ARG Chi-restraints excluded: chain B residue 396 GLU Chi-restraints excluded: chain B residue 397 GLU Chi-restraints excluded: chain B residue 404 ILE Chi-restraints excluded: chain B residue 405 HIS Chi-restraints excluded: chain B residue 407 THR Chi-restraints excluded: chain B residue 413 GLN Chi-restraints excluded: chain B residue 420 SER Chi-restraints excluded: chain B residue 441 VAL Chi-restraints excluded: chain B residue 442 ILE Chi-restraints excluded: chain B residue 447 ASP Chi-restraints excluded: chain B residue 448 LEU Chi-restraints excluded: chain B residue 456 SER Chi-restraints excluded: chain B residue 470 SER Chi-restraints excluded: chain B residue 473 ASN Chi-restraints excluded: chain B residue 487 VAL Chi-restraints excluded: chain B residue 494 LEU Chi-restraints excluded: chain B residue 495 ASN Chi-restraints excluded: chain B residue 496 VAL Chi-restraints excluded: chain B residue 503 PHE Chi-restraints excluded: chain B residue 505 GLU Chi-restraints excluded: chain B residue 510 GLU Chi-restraints excluded: chain B residue 521 LEU Chi-restraints excluded: chain B residue 528 SER Chi-restraints excluded: chain B residue 529 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 540 PHE Chi-restraints excluded: chain B residue 545 ASP Chi-restraints excluded: chain B residue 549 SER Chi-restraints excluded: chain B residue 560 ILE Chi-restraints excluded: chain B residue 569 ILE Chi-restraints excluded: chain B residue 575 LEU Chi-restraints excluded: chain B residue 577 ILE Chi-restraints excluded: chain B residue 578 ILE Chi-restraints excluded: chain B residue 580 GLU Chi-restraints excluded: chain B residue 587 ILE Chi-restraints excluded: chain B residue 612 VAL Chi-restraints excluded: chain B residue 621 ILE Chi-restraints excluded: chain B residue 625 LEU Chi-restraints excluded: chain B residue 629 ARG Chi-restraints excluded: chain B residue 637 LEU Chi-restraints excluded: chain B residue 645 ARG Chi-restraints excluded: chain B residue 659 TYR Chi-restraints excluded: chain B residue 663 TYR Chi-restraints excluded: chain B residue 667 MET Chi-restraints excluded: chain B residue 668 VAL Chi-restraints excluded: chain B residue 671 VAL Chi-restraints excluded: chain B residue 672 VAL Chi-restraints excluded: chain B residue 675 LEU 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 707 VAL Chi-restraints excluded: chain B residue 709 ASP Chi-restraints excluded: chain B residue 710 ASP Chi-restraints excluded: chain B residue 714 TYR Chi-restraints excluded: chain B residue 723 THR Chi-restraints excluded: chain B residue 735 GLN Chi-restraints excluded: chain B residue 751 SER Chi-restraints excluded: chain B residue 756 SER Chi-restraints excluded: chain B residue 760 ASN Chi-restraints excluded: chain B residue 767 VAL Chi-restraints excluded: chain B residue 768 PHE Chi-restraints excluded: chain B residue 773 LEU Chi-restraints excluded: chain B residue 781 VAL Chi-restraints excluded: chain B residue 788 LYS Chi-restraints excluded: chain B residue 800 PHE Chi-restraints excluded: chain B residue 801 LYS Chi-restraints excluded: chain B residue 802 PHE Chi-restraints excluded: chain B residue 803 LEU Chi-restraints excluded: chain B residue 822 ARG Chi-restraints excluded: chain B residue 823 LEU Chi-restraints excluded: chain B residue 826 ILE Chi-restraints excluded: chain B residue 831 ARG Chi-restraints excluded: chain B residue 840 VAL Chi-restraints excluded: chain B residue 925 SER Chi-restraints excluded: chain B residue 932 LEU Chi-restraints excluded: chain B residue 933 LEU Chi-restraints excluded: chain B residue 974 HIS Chi-restraints excluded: chain B residue 993 HIS Chi-restraints excluded: chain B residue 1043 VAL Chi-restraints excluded: chain B residue 1072 VAL Chi-restraints excluded: chain B residue 1074 ILE Chi-restraints excluded: chain B residue 1085 SER 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 1106 ARG Chi-restraints excluded: chain B residue 1113 VAL Chi-restraints excluded: chain B residue 1123 VAL Chi-restraints excluded: chain B residue 1127 HIS Chi-restraints excluded: chain B residue 1131 ARG Chi-restraints excluded: chain B residue 1137 GLU Chi-restraints excluded: chain B residue 1143 TRP Chi-restraints excluded: chain B residue 1145 SER Chi-restraints excluded: chain B residue 1147 ASP Chi-restraints excluded: chain B residue 1151 CYS Chi-restraints excluded: chain B residue 1152 MET Chi-restraints excluded: chain B residue 1153 ILE Chi-restraints excluded: chain B residue 1154 ASP Chi-restraints excluded: chain B residue 1155 LEU Chi-restraints excluded: chain B residue 1163 THR Chi-restraints excluded: chain B residue 1164 LEU Chi-restraints excluded: chain B residue 1168 VAL Chi-restraints excluded: chain B residue 1169 LEU Chi-restraints excluded: chain B residue 1171 SER Chi-restraints excluded: chain B residue 1173 SER Chi-restraints excluded: chain B residue 1182 ILE Chi-restraints excluded: chain B residue 1190 PRO Chi-restraints excluded: chain B residue 1192 CYS Chi-restraints excluded: chain B residue 1193 SER Chi-restraints excluded: chain B residue 1198 GLN Chi-restraints excluded: chain B residue 1202 LEU Chi-restraints excluded: chain B residue 1204 LEU Chi-restraints excluded: chain B residue 1208 VAL Chi-restraints excluded: chain B residue 1219 LEU Chi-restraints excluded: chain B residue 1221 GLU Chi-restraints excluded: chain B residue 1234 VAL Chi-restraints excluded: chain B residue 1238 PHE Chi-restraints excluded: chain B residue 1241 SER 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 1259 ARG Chi-restraints excluded: chain B residue 1269 CYS Chi-restraints excluded: chain B residue 1271 ARG Chi-restraints excluded: chain B residue 1272 LEU Chi-restraints excluded: chain B residue 1282 SER Chi-restraints excluded: chain B residue 1287 LEU Chi-restraints excluded: chain B residue 1431 THR Chi-restraints excluded: chain B residue 1437 VAL Chi-restraints excluded: chain B residue 1439 VAL Chi-restraints excluded: chain B residue 1453 VAL Chi-restraints excluded: chain B residue 1457 TYR Chi-restraints excluded: chain B residue 1460 HIS Chi-restraints excluded: chain B residue 1462 MET Chi-restraints excluded: chain B residue 1466 LEU Chi-restraints excluded: chain B residue 1467 SER Chi-restraints excluded: chain B residue 1469 VAL Chi-restraints excluded: chain B residue 1485 SER Chi-restraints excluded: chain B residue 1486 SER Chi-restraints excluded: chain B residue 1489 CYS Chi-restraints excluded: chain B residue 1576 SER Chi-restraints excluded: chain B residue 1580 PHE Chi-restraints excluded: chain B residue 1581 LEU Chi-restraints excluded: chain B residue 1583 GLU Chi-restraints excluded: chain B residue 1585 LYS Chi-restraints excluded: chain B residue 1595 LEU Chi-restraints excluded: chain B residue 1597 VAL Chi-restraints excluded: chain B residue 1599 MET Chi-restraints excluded: chain B residue 1600 LEU Chi-restraints excluded: chain B residue 1603 VAL Chi-restraints excluded: chain B residue 1607 ARG Chi-restraints excluded: chain B residue 1610 ASN Chi-restraints excluded: chain B residue 1632 ASP Chi-restraints excluded: chain B residue 1634 LEU Chi-restraints excluded: chain B residue 1636 MET Chi-restraints excluded: chain B residue 1641 ILE Chi-restraints excluded: chain B residue 1642 PRO Chi-restraints excluded: chain B residue 1647 CYS Chi-restraints excluded: chain B residue 1657 LEU Chi-restraints excluded: chain B residue 1666 THR Chi-restraints excluded: chain B residue 1668 ARG Chi-restraints excluded: chain B residue 1671 ARG Chi-restraints excluded: chain B residue 1673 VAL Chi-restraints excluded: chain B residue 1679 ASN Chi-restraints excluded: chain B residue 1685 LEU Chi-restraints excluded: chain B residue 1687 SER Chi-restraints excluded: chain B residue 1689 VAL Chi-restraints excluded: chain B residue 1698 LEU Chi-restraints excluded: chain B residue 1699 GLU Chi-restraints excluded: chain B residue 1700 ASP Chi-restraints excluded: chain B residue 1704 PRO Chi-restraints excluded: chain B residue 1706 PRO Chi-restraints excluded: chain B residue 1717 SER Chi-restraints excluded: chain B residue 1720 LEU Chi-restraints excluded: chain B residue 1733 GLU Chi-restraints excluded: chain B residue 1736 VAL Chi-restraints excluded: chain B residue 1738 LEU Chi-restraints excluded: chain B residue 1739 THR Chi-restraints excluded: chain B residue 1759 ARG Chi-restraints excluded: chain B residue 1760 HIS 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 1802 ILE Chi-restraints excluded: chain B residue 1812 LEU Chi-restraints excluded: chain B residue 1815 LEU Chi-restraints excluded: chain B residue 1830 VAL Chi-restraints excluded: chain B residue 1834 VAL Chi-restraints excluded: chain B residue 1837 GLN Chi-restraints excluded: chain B residue 1849 LEU Chi-restraints excluded: chain B residue 1857 GLU Chi-restraints excluded: chain B residue 1863 LEU Chi-restraints excluded: chain B residue 1869 GLU Chi-restraints excluded: chain B residue 1870 VAL Chi-restraints excluded: chain B residue 1873 GLU Chi-restraints excluded: chain B residue 1929 MET Chi-restraints excluded: chain B residue 1934 SER Chi-restraints excluded: chain B residue 1955 VAL Chi-restraints excluded: chain B residue 1961 PHE Chi-restraints excluded: chain B residue 1966 VAL Chi-restraints excluded: chain B residue 1969 LEU Chi-restraints excluded: chain B residue 1981 MET Chi-restraints excluded: chain B residue 1993 ARG Chi-restraints excluded: chain B residue 1995 THR Chi-restraints excluded: chain B residue 1996 ARG Chi-restraints excluded: chain B residue 2014 ASP Chi-restraints excluded: chain B residue 2020 ASP Chi-restraints excluded: chain B residue 2027 ILE Chi-restraints excluded: chain B residue 2037 ASP Chi-restraints excluded: chain B residue 2039 LEU Chi-restraints excluded: chain B residue 2090 LYS Chi-restraints excluded: chain B residue 2093 SER Chi-restraints excluded: chain B residue 2094 LEU Chi-restraints excluded: chain B residue 2095 GLN Chi-restraints excluded: chain B residue 2097 LEU Chi-restraints excluded: chain B residue 2098 VAL Chi-restraints excluded: chain B residue 2100 HIS Chi-restraints excluded: chain B residue 2111 VAL Chi-restraints excluded: chain B residue 2122 SER Chi-restraints excluded: chain B residue 2136 ARG 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 2152 THR Chi-restraints excluded: chain B residue 2156 LEU Chi-restraints excluded: chain B residue 2161 GLN Chi-restraints excluded: chain B residue 2166 LEU Chi-restraints excluded: chain B residue 2167 ILE Chi-restraints excluded: chain B residue 2169 GLN Chi-restraints excluded: chain B residue 2170 MET Chi-restraints excluded: chain B residue 2175 GLU Chi-restraints excluded: chain B residue 2186 MET Chi-restraints excluded: chain B residue 2187 ASN Chi-restraints excluded: chain B residue 2197 LEU Chi-restraints excluded: chain B residue 2199 ARG Chi-restraints excluded: chain B residue 2221 LYS Chi-restraints excluded: chain B residue 2227 LYS Chi-restraints excluded: chain B residue 2228 MET Chi-restraints excluded: chain B residue 2229 VAL Chi-restraints excluded: chain B residue 2230 THR Chi-restraints excluded: chain B residue 2231 SER Chi-restraints excluded: chain B residue 2238 TYR Chi-restraints excluded: chain B residue 2241 ARG Chi-restraints excluded: chain B residue 2242 ILE Chi-restraints excluded: chain B residue 2244 ARG Chi-restraints excluded: chain B residue 2270 SER Chi-restraints excluded: chain B residue 2274 ASP Chi-restraints excluded: chain B residue 2275 VAL Chi-restraints excluded: chain B residue 2280 VAL Chi-restraints excluded: chain B residue 2281 ILE Chi-restraints excluded: chain B residue 2290 LEU Chi-restraints excluded: chain B residue 2294 ASP Chi-restraints excluded: chain B residue 2295 LEU Chi-restraints excluded: chain B residue 2296 GLU Chi-restraints excluded: chain B residue 2299 VAL Chi-restraints excluded: chain B residue 2300 SER Chi-restraints excluded: chain B residue 2309 SER Chi-restraints excluded: chain B residue 2312 MET Chi-restraints excluded: chain B residue 2324 ASN Chi-restraints excluded: chain B residue 2333 ASP Chi-restraints excluded: chain B residue 2336 ARG Chi-restraints excluded: chain B residue 2341 VAL Chi-restraints excluded: chain B residue 2345 SER Chi-restraints excluded: chain B residue 2346 VAL Chi-restraints excluded: chain B residue 2352 VAL Chi-restraints excluded: chain B residue 2353 VAL Chi-restraints excluded: chain B residue 2368 LEU Chi-restraints excluded: chain B residue 2371 GLU Chi-restraints excluded: chain B residue 2377 LEU Chi-restraints excluded: chain B residue 2387 SER Chi-restraints excluded: chain B residue 2416 VAL Chi-restraints excluded: chain B residue 2423 MET Chi-restraints excluded: chain B residue 2430 ILE Chi-restraints excluded: chain B residue 2442 LEU Chi-restraints excluded: chain B residue 2454 ARG Chi-restraints excluded: chain B residue 2458 ARG Chi-restraints excluded: chain B residue 2460 LEU Chi-restraints excluded: chain B residue 2461 VAL Chi-restraints excluded: chain B residue 2474 LEU Chi-restraints excluded: chain B residue 2479 LEU Chi-restraints excluded: chain B residue 3646 THR Chi-restraints excluded: chain B residue 3652 MET Chi-restraints excluded: chain B residue 3656 SER Chi-restraints excluded: chain B residue 3662 ILE Chi-restraints excluded: chain B residue 3667 HIS Chi-restraints excluded: chain B residue 3670 GLU Chi-restraints excluded: chain B residue 3694 LYS Chi-restraints excluded: chain B residue 3696 ASP Chi-restraints excluded: chain B residue 3707 ARG Chi-restraints excluded: chain B residue 3711 THR Chi-restraints excluded: chain B residue 3719 ASP Chi-restraints excluded: chain B residue 3732 SER Chi-restraints excluded: chain B residue 3733 CYS Chi-restraints excluded: chain B residue 3752 SER Chi-restraints excluded: chain B residue 3754 GLU Chi-restraints excluded: chain B residue 3764 LEU Chi-restraints excluded: chain B residue 3772 THR Chi-restraints excluded: chain B residue 3779 VAL Chi-restraints excluded: chain B residue 3793 MET Chi-restraints excluded: chain B residue 3795 SER Chi-restraints excluded: chain B residue 3800 LEU Chi-restraints excluded: chain B residue 3803 SER Chi-restraints excluded: chain B residue 3822 ASP Chi-restraints excluded: chain B residue 3826 VAL Chi-restraints excluded: chain B residue 3837 GLN Chi-restraints excluded: chain B residue 3841 VAL Chi-restraints excluded: chain B residue 3856 LEU Chi-restraints excluded: chain B residue 3869 GLN Chi-restraints excluded: chain B residue 3872 GLU Chi-restraints excluded: chain B residue 3881 THR Chi-restraints excluded: chain B residue 3893 GLU Chi-restraints excluded: chain B residue 3904 ARG Chi-restraints excluded: chain B residue 3907 THR Chi-restraints excluded: chain B residue 3916 ILE Chi-restraints excluded: chain B residue 3924 LEU Chi-restraints excluded: chain B residue 3929 SER Chi-restraints excluded: chain B residue 3930 ILE Chi-restraints excluded: chain B residue 3933 PHE Chi-restraints excluded: chain B residue 3938 SER Chi-restraints excluded: chain B residue 3942 VAL Chi-restraints excluded: chain B residue 3945 GLU Chi-restraints excluded: chain B residue 3952 SER Chi-restraints excluded: chain B residue 3969 ILE Chi-restraints excluded: chain B residue 3970 GLN Chi-restraints excluded: chain B residue 3995 VAL Chi-restraints excluded: chain B residue 4005 GLN Chi-restraints excluded: chain B residue 4008 SER Chi-restraints excluded: chain B residue 4012 LEU Chi-restraints excluded: chain B residue 4014 LYS Chi-restraints excluded: chain B residue 4018 ASP 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 4048 LEU Chi-restraints excluded: chain B residue 4049 VAL Chi-restraints excluded: chain B residue 4051 SER Chi-restraints excluded: chain B residue 4052 SER Chi-restraints excluded: chain B residue 4053 SER Chi-restraints excluded: chain B residue 4055 VAL Chi-restraints excluded: chain B residue 4064 MET Chi-restraints excluded: chain B residue 4067 LYS Chi-restraints excluded: chain B residue 4072 VAL Chi-restraints excluded: chain B residue 4075 GLU Chi-restraints excluded: chain B residue 4082 THR Chi-restraints excluded: chain B residue 4087 LEU Chi-restraints excluded: chain B residue 4088 ILE Chi-restraints excluded: chain B residue 4098 ASP Chi-restraints excluded: chain B residue 4100 GLN Chi-restraints excluded: chain B residue 4106 PRO Chi-restraints excluded: chain B residue 4107 GLU Chi-restraints excluded: chain B residue 4109 GLN Chi-restraints excluded: chain B residue 4110 PHE Chi-restraints excluded: chain B residue 4112 LEU Chi-restraints excluded: chain B residue 4113 SER Chi-restraints excluded: chain B residue 4120 ASN Chi-restraints excluded: chain B residue 4125 PHE Chi-restraints excluded: chain B residue 4127 GLU Chi-restraints excluded: chain B residue 4135 PRO Chi-restraints excluded: chain B residue 4139 ILE Chi-restraints excluded: chain B residue 4145 VAL Chi-restraints excluded: chain B residue 4154 VAL Chi-restraints excluded: chain B residue 4159 ARG Chi-restraints excluded: chain B residue 4170 ILE Chi-restraints excluded: chain B residue 4172 GLU Chi-restraints excluded: chain B residue 4178 LEU Chi-restraints excluded: chain B residue 4184 MET Chi-restraints excluded: chain B residue 4196 GLU Chi-restraints excluded: chain B residue 4200 THR Chi-restraints excluded: chain B residue 4220 ASP Chi-restraints excluded: chain B residue 4221 VAL Chi-restraints excluded: chain B residue 4232 GLU Chi-restraints excluded: chain B residue 4242 ILE Chi-restraints excluded: chain B residue 4244 GLU Chi-restraints excluded: chain B residue 4251 ILE Chi-restraints excluded: chain B residue 4546 VAL 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 4568 PHE Chi-restraints excluded: chain B residue 4582 VAL Chi-restraints excluded: chain B residue 4632 LEU Chi-restraints excluded: chain B residue 4634 GLU Chi-restraints excluded: chain B residue 4645 CYS Chi-restraints excluded: chain B residue 4647 SER Chi-restraints excluded: chain B residue 4653 VAL Chi-restraints excluded: chain B residue 4662 ASN Chi-restraints excluded: chain B residue 4667 PRO Chi-restraints excluded: chain B residue 4669 VAL Chi-restraints excluded: chain B residue 4688 ILE Chi-restraints excluded: chain B residue 4689 THR Chi-restraints excluded: chain B residue 4696 ASP Chi-restraints excluded: chain B residue 4697 VAL Chi-restraints excluded: chain B residue 4698 LYS Chi-restraints excluded: chain B residue 4704 LEU Chi-restraints excluded: chain B residue 4707 ASN Chi-restraints excluded: chain B residue 4710 SER Chi-restraints excluded: chain B residue 4713 SER Chi-restraints excluded: chain B residue 4718 LYS Chi-restraints excluded: chain B residue 4722 ARG Chi-restraints excluded: chain B residue 4737 ILE Chi-restraints excluded: chain B residue 4741 LEU Chi-restraints excluded: chain B residue 4743 MET Chi-restraints excluded: chain B residue 4745 LEU Chi-restraints excluded: chain B residue 4766 THR Chi-restraints excluded: chain B residue 4788 SER Chi-restraints excluded: chain B residue 4796 MET Chi-restraints excluded: chain B residue 4816 ILE Chi-restraints excluded: chain B residue 4818 MET Chi-restraints excluded: chain B residue 4825 THR Chi-restraints excluded: chain B residue 4836 GLN Chi-restraints excluded: chain B residue 4838 VAL Chi-restraints excluded: chain B residue 4850 LEU Chi-restraints excluded: chain B residue 4869 GLU Chi-restraints excluded: chain B residue 4879 MET Chi-restraints excluded: chain B residue 4880 MET Chi-restraints excluded: chain B residue 4881 THR Chi-restraints excluded: chain B residue 4901 ILE Chi-restraints excluded: chain B residue 4918 ILE Chi-restraints excluded: chain B residue 4919 THR Chi-restraints excluded: chain B residue 4952 GLU Chi-restraints excluded: chain B residue 4954 MET Chi-restraints excluded: chain B residue 4956 THR Chi-restraints excluded: chain B residue 4957 LYS Chi-restraints excluded: chain B residue 4961 CYS Chi-restraints excluded: chain B residue 4965 SER Chi-restraints excluded: chain B residue 4966 ASP Chi-restraints excluded: chain B residue 4980 LEU Chi-restraints excluded: chain B residue 4992 LEU Chi-restraints excluded: chain B residue 5002 GLU Chi-restraints excluded: chain B residue 5008 SER Chi-restraints excluded: chain B residue 5023 PRO Chi-restraints excluded: chain C residue 13 PHE Chi-restraints excluded: chain C residue 18 ASP Chi-restraints excluded: chain C residue 23 GLN Chi-restraints excluded: chain C residue 24 CYS Chi-restraints excluded: chain C residue 25 SER 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 47 CYS Chi-restraints excluded: chain C residue 54 ASN Chi-restraints excluded: chain C residue 58 VAL Chi-restraints excluded: chain C residue 66 CYS Chi-restraints excluded: chain C residue 75 VAL Chi-restraints excluded: chain C residue 78 LEU Chi-restraints excluded: chain C residue 81 MET Chi-restraints excluded: chain C residue 82 LEU Chi-restraints excluded: chain C residue 99 ARG Chi-restraints excluded: chain C residue 109 LEU Chi-restraints excluded: chain C residue 115 ARG Chi-restraints excluded: chain C residue 119 SER Chi-restraints excluded: chain C residue 120 CYS Chi-restraints excluded: chain C residue 125 ARG Chi-restraints excluded: chain C residue 128 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 146 CYS Chi-restraints excluded: chain C residue 149 THR Chi-restraints excluded: chain C residue 156 GLN Chi-restraints excluded: chain C residue 167 ASP Chi-restraints excluded: chain C residue 169 LEU Chi-restraints excluded: chain C residue 184 THR Chi-restraints excluded: chain C residue 188 GLU Chi-restraints excluded: chain C residue 190 GLN Chi-restraints excluded: chain C residue 197 GLN Chi-restraints excluded: chain C residue 202 MET Chi-restraints excluded: chain C residue 203 ASN Chi-restraints excluded: chain C residue 205 ILE Chi-restraints excluded: chain C residue 210 GLU Chi-restraints excluded: chain C residue 214 VAL Chi-restraints excluded: chain C residue 215 THR Chi-restraints excluded: chain C residue 218 HIS Chi-restraints excluded: chain C residue 220 LEU Chi-restraints excluded: chain C residue 232 THR Chi-restraints excluded: chain C residue 253 CYS Chi-restraints excluded: chain C residue 255 HIS Chi-restraints excluded: chain C residue 257 ARG Chi-restraints excluded: chain C residue 258 SER Chi-restraints excluded: chain C residue 264 PRO Chi-restraints excluded: chain C residue 265 LEU Chi-restraints excluded: chain C residue 266 ARG Chi-restraints excluded: chain C residue 268 SER Chi-restraints excluded: chain C residue 272 SER Chi-restraints excluded: chain C residue 281 ARG Chi-restraints excluded: chain C residue 286 THR Chi-restraints excluded: chain C residue 290 TYR Chi-restraints excluded: chain C residue 291 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 305 CYS Chi-restraints excluded: chain C residue 309 THR Chi-restraints excluded: chain C residue 312 THR Chi-restraints excluded: chain C residue 315 CYS Chi-restraints excluded: chain C residue 317 ARG Chi-restraints excluded: chain C residue 318 VAL Chi-restraints excluded: chain C residue 319 SER Chi-restraints excluded: chain C residue 320 LYS Chi-restraints excluded: chain C residue 321 GLU Chi-restraints excluded: chain C residue 322 LYS Chi-restraints excluded: chain C residue 346 CYS Chi-restraints excluded: chain C residue 348 VAL Chi-restraints excluded: chain C residue 353 SER Chi-restraints excluded: chain C residue 358 THR Chi-restraints excluded: chain C residue 359 TYR Chi-restraints excluded: chain C residue 374 LYS Chi-restraints excluded: chain C residue 377 ILE Chi-restraints excluded: chain C residue 379 HIS Chi-restraints excluded: chain C residue 384 MET Chi-restraints excluded: chain C residue 386 ASP Chi-restraints excluded: chain C residue 389 PHE Chi-restraints excluded: chain C residue 392 ARG Chi-restraints excluded: chain C residue 396 GLU Chi-restraints excluded: chain C residue 397 GLU Chi-restraints excluded: chain C residue 404 ILE Chi-restraints excluded: chain C residue 405 HIS Chi-restraints excluded: chain C residue 407 THR Chi-restraints excluded: chain C residue 413 GLN Chi-restraints excluded: chain C residue 420 SER Chi-restraints excluded: chain C residue 441 VAL Chi-restraints excluded: chain C residue 442 ILE Chi-restraints excluded: chain C residue 447 ASP Chi-restraints excluded: chain C residue 448 LEU Chi-restraints excluded: chain C residue 456 SER Chi-restraints excluded: chain C residue 470 SER Chi-restraints excluded: chain C residue 477 LEU Chi-restraints excluded: chain C residue 481 GLU Chi-restraints excluded: chain C residue 484 LEU Chi-restraints excluded: chain C residue 487 VAL Chi-restraints excluded: chain C residue 494 LEU Chi-restraints excluded: chain C residue 495 ASN Chi-restraints excluded: chain C residue 503 PHE Chi-restraints excluded: chain C residue 505 GLU Chi-restraints excluded: chain C residue 521 LEU Chi-restraints excluded: chain C residue 528 SER 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 540 PHE Chi-restraints excluded: chain C residue 545 ASP Chi-restraints excluded: chain C residue 549 SER Chi-restraints excluded: chain C residue 551 LEU Chi-restraints excluded: chain C residue 552 ASP Chi-restraints excluded: chain C residue 560 ILE Chi-restraints excluded: chain C residue 569 ILE Chi-restraints excluded: chain C residue 575 LEU Chi-restraints excluded: chain C residue 577 ILE Chi-restraints excluded: chain C residue 578 ILE Chi-restraints excluded: chain C residue 580 GLU Chi-restraints excluded: chain C residue 587 ILE Chi-restraints excluded: chain C residue 590 LEU Chi-restraints excluded: chain C residue 605 SER Chi-restraints excluded: chain C residue 612 VAL Chi-restraints excluded: chain C residue 621 ILE Chi-restraints excluded: chain C residue 625 LEU Chi-restraints excluded: chain C residue 629 ARG Chi-restraints excluded: chain C residue 637 LEU Chi-restraints excluded: chain C residue 652 ARG Chi-restraints excluded: chain C residue 657 THR Chi-restraints excluded: chain C residue 663 TYR Chi-restraints excluded: chain C residue 667 MET Chi-restraints excluded: chain C residue 668 VAL Chi-restraints excluded: chain C residue 672 VAL Chi-restraints excluded: chain C residue 675 LEU 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 707 VAL Chi-restraints excluded: chain C residue 709 ASP Chi-restraints excluded: chain C residue 710 ASP Chi-restraints excluded: chain C residue 723 THR Chi-restraints excluded: chain C residue 736 HIS Chi-restraints excluded: chain C residue 751 SER Chi-restraints excluded: chain C residue 752 VAL Chi-restraints excluded: chain C residue 755 ILE Chi-restraints excluded: chain C residue 756 SER Chi-restraints excluded: chain C residue 760 ASN Chi-restraints excluded: chain C residue 768 PHE Chi-restraints excluded: chain C residue 773 LEU Chi-restraints excluded: chain C residue 778 PHE Chi-restraints excluded: chain C residue 781 VAL Chi-restraints excluded: chain C residue 788 LYS Chi-restraints excluded: chain C residue 800 PHE Chi-restraints excluded: chain C residue 801 LYS Chi-restraints excluded: chain C residue 802 PHE Chi-restraints excluded: chain C residue 803 LEU Chi-restraints excluded: chain C residue 822 ARG Chi-restraints excluded: chain C residue 823 LEU Chi-restraints excluded: chain C residue 826 ILE Chi-restraints excluded: chain C residue 831 ARG Chi-restraints excluded: chain C residue 840 VAL Chi-restraints excluded: chain C residue 924 MET Chi-restraints excluded: chain C residue 932 LEU Chi-restraints excluded: chain C residue 933 LEU Chi-restraints excluded: chain C residue 961 MET Chi-restraints excluded: chain C residue 974 HIS Chi-restraints excluded: chain C residue 978 THR Chi-restraints excluded: chain C residue 1043 VAL Chi-restraints excluded: chain C residue 1072 VAL Chi-restraints excluded: chain C residue 1074 ILE Chi-restraints excluded: chain C residue 1085 SER Chi-restraints excluded: chain C residue 1087 ARG Chi-restraints excluded: chain C residue 1093 GLU Chi-restraints excluded: chain C residue 1095 VAL Chi-restraints excluded: chain C residue 1106 ARG Chi-restraints excluded: chain C residue 1113 VAL Chi-restraints excluded: chain C residue 1123 VAL Chi-restraints excluded: chain C residue 1127 HIS Chi-restraints excluded: chain C residue 1131 ARG Chi-restraints excluded: chain C residue 1137 GLU Chi-restraints excluded: chain C residue 1141 ARG Chi-restraints excluded: chain C residue 1143 TRP Chi-restraints excluded: chain C residue 1145 SER Chi-restraints excluded: chain C residue 1147 ASP Chi-restraints excluded: chain C residue 1151 CYS Chi-restraints excluded: chain C residue 1152 MET Chi-restraints excluded: chain C residue 1153 ILE Chi-restraints excluded: chain C residue 1154 ASP Chi-restraints excluded: chain C residue 1155 LEU Chi-restraints excluded: chain C residue 1163 THR Chi-restraints excluded: chain C residue 1164 LEU Chi-restraints excluded: chain C residue 1168 VAL Chi-restraints excluded: chain C residue 1170 MET Chi-restraints excluded: chain C residue 1171 SER Chi-restraints excluded: chain C residue 1173 SER Chi-restraints excluded: chain C residue 1182 ILE Chi-restraints excluded: chain C residue 1190 PRO Chi-restraints excluded: chain C residue 1192 CYS Chi-restraints excluded: chain C residue 1193 SER Chi-restraints excluded: chain C residue 1198 GLN Chi-restraints excluded: chain C residue 1202 LEU Chi-restraints excluded: chain C residue 1204 LEU Chi-restraints excluded: chain C residue 1208 VAL Chi-restraints excluded: chain C residue 1216 ILE Chi-restraints excluded: chain C residue 1219 LEU Chi-restraints excluded: chain C residue 1221 GLU Chi-restraints excluded: chain C residue 1234 VAL Chi-restraints excluded: chain C residue 1238 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 1259 ARG Chi-restraints excluded: chain C residue 1269 CYS Chi-restraints excluded: chain C residue 1271 ARG Chi-restraints excluded: chain C residue 1272 LEU Chi-restraints excluded: chain C residue 1282 SER Chi-restraints excluded: chain C residue 1283 LEU Chi-restraints excluded: chain C residue 1287 LEU Chi-restraints excluded: chain C residue 1431 THR Chi-restraints excluded: chain C residue 1437 VAL Chi-restraints excluded: chain C residue 1444 GLU Chi-restraints excluded: chain C residue 1453 VAL Chi-restraints excluded: chain C residue 1457 TYR Chi-restraints excluded: chain C residue 1460 HIS Chi-restraints excluded: chain C residue 1462 MET Chi-restraints excluded: chain C residue 1466 LEU Chi-restraints excluded: chain C residue 1467 SER Chi-restraints excluded: chain C residue 1469 VAL Chi-restraints excluded: chain C residue 1472 VAL Chi-restraints excluded: chain C residue 1485 SER Chi-restraints excluded: chain C residue 1486 SER Chi-restraints excluded: chain C residue 1576 SER Chi-restraints excluded: chain C residue 1580 PHE Chi-restraints excluded: chain C residue 1595 LEU Chi-restraints excluded: chain C residue 1597 VAL Chi-restraints excluded: chain C residue 1599 MET Chi-restraints excluded: chain C residue 1600 LEU Chi-restraints excluded: chain C residue 1603 VAL Chi-restraints excluded: chain C residue 1607 ARG Chi-restraints excluded: chain C residue 1610 ASN Chi-restraints excluded: chain C residue 1632 ASP Chi-restraints excluded: chain C residue 1634 LEU Chi-restraints excluded: chain C residue 1642 PRO Chi-restraints excluded: chain C residue 1647 CYS Chi-restraints excluded: chain C residue 1657 LEU Chi-restraints excluded: chain C residue 1666 THR Chi-restraints excluded: chain C residue 1668 ARG Chi-restraints excluded: chain C residue 1671 ARG 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 1685 LEU Chi-restraints excluded: chain C residue 1687 SER Chi-restraints excluded: chain C residue 1689 VAL Chi-restraints excluded: chain C residue 1698 LEU Chi-restraints excluded: chain C residue 1699 GLU Chi-restraints excluded: chain C residue 1700 ASP Chi-restraints excluded: chain C residue 1704 PRO Chi-restraints excluded: chain C residue 1706 PRO Chi-restraints excluded: chain C residue 1717 SER Chi-restraints excluded: chain C residue 1720 LEU Chi-restraints excluded: chain C residue 1733 GLU Chi-restraints excluded: chain C residue 1736 VAL Chi-restraints excluded: chain C residue 1738 LEU Chi-restraints excluded: chain C residue 1739 THR Chi-restraints excluded: chain C residue 1760 HIS Chi-restraints excluded: chain C residue 1770 SER Chi-restraints excluded: chain C residue 1771 LEU 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 1802 ILE Chi-restraints excluded: chain C residue 1812 LEU Chi-restraints excluded: chain C residue 1815 LEU Chi-restraints excluded: chain C residue 1830 VAL Chi-restraints excluded: chain C residue 1834 VAL Chi-restraints excluded: chain C residue 1837 GLN Chi-restraints excluded: chain C residue 1849 LEU Chi-restraints excluded: chain C residue 1857 GLU Chi-restraints excluded: chain C residue 1858 ASP Chi-restraints excluded: chain C residue 1869 GLU Chi-restraints excluded: chain C residue 1872 THR Chi-restraints excluded: chain C residue 1873 GLU Chi-restraints excluded: chain C residue 1929 MET Chi-restraints excluded: chain C residue 1930 LYS Chi-restraints excluded: chain C residue 1934 SER Chi-restraints excluded: chain C residue 1955 VAL Chi-restraints excluded: chain C residue 1961 PHE Chi-restraints excluded: chain C residue 1966 VAL Chi-restraints excluded: chain C residue 1969 LEU Chi-restraints excluded: chain C residue 1987 SER Chi-restraints excluded: chain C residue 1993 ARG Chi-restraints excluded: chain C residue 1995 THR Chi-restraints excluded: chain C residue 2014 ASP Chi-restraints excluded: chain C residue 2020 ASP Chi-restraints excluded: chain C residue 2027 ILE Chi-restraints excluded: chain C residue 2037 ASP Chi-restraints excluded: chain C residue 2039 LEU Chi-restraints excluded: chain C residue 2044 ILE Chi-restraints excluded: chain C residue 2093 SER Chi-restraints excluded: chain C residue 2094 LEU Chi-restraints excluded: chain C residue 2095 GLN Chi-restraints excluded: chain C residue 2097 LEU Chi-restraints excluded: chain C residue 2098 VAL Chi-restraints excluded: chain C residue 2111 VAL Chi-restraints excluded: chain C residue 2122 SER Chi-restraints excluded: chain C residue 2136 ARG 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 2156 LEU Chi-restraints excluded: chain C residue 2161 GLN Chi-restraints excluded: chain C residue 2166 LEU Chi-restraints excluded: chain C residue 2167 ILE Chi-restraints excluded: chain C residue 2169 GLN Chi-restraints excluded: chain C residue 2170 MET Chi-restraints excluded: chain C residue 2175 GLU Chi-restraints excluded: chain C residue 2186 MET Chi-restraints excluded: chain C residue 2187 ASN Chi-restraints excluded: chain C residue 2197 LEU Chi-restraints excluded: chain C residue 2199 ARG Chi-restraints excluded: chain C residue 2209 GLU Chi-restraints excluded: chain C residue 2221 LYS Chi-restraints excluded: chain C residue 2227 LYS Chi-restraints excluded: chain C residue 2228 MET Chi-restraints excluded: chain C residue 2229 VAL Chi-restraints excluded: chain C residue 2230 THR Chi-restraints excluded: chain C residue 2231 SER Chi-restraints excluded: chain C residue 2238 TYR Chi-restraints excluded: chain C residue 2241 ARG Chi-restraints excluded: chain C residue 2242 ILE Chi-restraints excluded: chain C residue 2244 ARG Chi-restraints excluded: chain C residue 2270 SER Chi-restraints excluded: chain C residue 2274 ASP Chi-restraints excluded: chain C residue 2275 VAL Chi-restraints excluded: chain C residue 2280 VAL Chi-restraints excluded: chain C residue 2281 ILE Chi-restraints excluded: chain C residue 2290 LEU Chi-restraints excluded: chain C residue 2293 GLN Chi-restraints excluded: chain C residue 2294 ASP Chi-restraints excluded: chain C residue 2295 LEU Chi-restraints excluded: chain C residue 2296 GLU Chi-restraints excluded: chain C residue 2299 VAL Chi-restraints excluded: chain C residue 2300 SER Chi-restraints excluded: chain C residue 2312 MET Chi-restraints excluded: chain C residue 2324 ASN Chi-restraints excluded: chain C residue 2333 ASP Chi-restraints excluded: chain C residue 2336 ARG Chi-restraints excluded: chain C residue 2341 VAL Chi-restraints excluded: chain C residue 2345 SER Chi-restraints excluded: chain C residue 2346 VAL Chi-restraints excluded: chain C residue 2352 VAL Chi-restraints excluded: chain C residue 2353 VAL Chi-restraints excluded: chain C residue 2368 LEU Chi-restraints excluded: chain C residue 2371 GLU Chi-restraints excluded: chain C residue 2377 LEU Chi-restraints excluded: chain C residue 2416 VAL Chi-restraints excluded: chain C residue 2423 MET Chi-restraints excluded: chain C residue 2430 ILE Chi-restraints excluded: chain C residue 2442 LEU Chi-restraints excluded: chain C residue 2454 ARG Chi-restraints excluded: chain C residue 2460 LEU Chi-restraints excluded: chain C residue 2461 VAL Chi-restraints excluded: chain C residue 2474 LEU Chi-restraints excluded: chain C residue 2479 LEU Chi-restraints excluded: chain C residue 3646 THR Chi-restraints excluded: chain C residue 3652 MET Chi-restraints excluded: chain C residue 3656 SER Chi-restraints excluded: chain C residue 3661 TRP Chi-restraints excluded: chain C residue 3662 ILE Chi-restraints excluded: chain C residue 3669 PHE Chi-restraints excluded: chain C residue 3670 GLU Chi-restraints excluded: chain C residue 3678 SER Chi-restraints excluded: chain C residue 3696 ASP Chi-restraints excluded: chain C residue 3707 ARG Chi-restraints excluded: chain C residue 3711 THR Chi-restraints excluded: chain C residue 3719 ASP Chi-restraints excluded: chain C residue 3732 SER Chi-restraints excluded: chain C residue 3733 CYS Chi-restraints excluded: chain C residue 3752 SER Chi-restraints excluded: chain C residue 3754 GLU Chi-restraints excluded: chain C residue 3764 LEU Chi-restraints excluded: chain C residue 3772 THR Chi-restraints excluded: chain C residue 3779 VAL Chi-restraints excluded: chain C residue 3793 MET Chi-restraints excluded: chain C residue 3795 SER Chi-restraints excluded: chain C residue 3803 SER Chi-restraints excluded: chain C residue 3822 ASP Chi-restraints excluded: chain C residue 3826 VAL Chi-restraints excluded: chain C residue 3837 GLN Chi-restraints excluded: chain C residue 3873 LYS Chi-restraints excluded: chain C residue 3893 GLU Chi-restraints excluded: chain C residue 3904 ARG Chi-restraints excluded: chain C residue 3907 THR Chi-restraints excluded: chain C residue 3916 ILE Chi-restraints excluded: chain C residue 3924 LEU Chi-restraints excluded: chain C residue 3929 SER Chi-restraints excluded: chain C residue 3930 ILE Chi-restraints excluded: chain C residue 3933 PHE Chi-restraints excluded: chain C residue 3938 SER Chi-restraints excluded: chain C residue 3942 VAL Chi-restraints excluded: chain C residue 3945 GLU Chi-restraints excluded: chain C residue 3952 SER Chi-restraints excluded: chain C residue 3969 ILE Chi-restraints excluded: chain C residue 3970 GLN Chi-restraints excluded: chain C residue 3995 VAL Chi-restraints excluded: chain C residue 4005 GLN Chi-restraints excluded: chain C residue 4008 SER Chi-restraints excluded: chain C residue 4014 LYS Chi-restraints excluded: chain C residue 4018 ASP 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 4048 LEU Chi-restraints excluded: chain C residue 4049 VAL Chi-restraints excluded: chain C residue 4051 SER Chi-restraints excluded: chain C residue 4052 SER Chi-restraints excluded: chain C residue 4053 SER Chi-restraints excluded: chain C residue 4055 VAL Chi-restraints excluded: chain C residue 4064 MET Chi-restraints excluded: chain C residue 4067 LYS Chi-restraints excluded: chain C residue 4072 VAL Chi-restraints excluded: chain C residue 4075 GLU Chi-restraints excluded: chain C residue 4082 THR Chi-restraints excluded: chain C residue 4087 LEU Chi-restraints excluded: chain C residue 4088 ILE Chi-restraints excluded: chain C residue 4098 ASP Chi-restraints excluded: chain C residue 4100 GLN Chi-restraints excluded: chain C residue 4106 PRO Chi-restraints excluded: chain C residue 4107 GLU Chi-restraints excluded: chain C residue 4109 GLN Chi-restraints excluded: chain C residue 4110 PHE Chi-restraints excluded: chain C residue 4112 LEU Chi-restraints excluded: chain C residue 4113 SER Chi-restraints excluded: chain C residue 4120 ASN Chi-restraints excluded: chain C residue 4125 PHE Chi-restraints excluded: chain C residue 4127 GLU Chi-restraints excluded: chain C residue 4135 PRO Chi-restraints excluded: chain C residue 4139 ILE Chi-restraints excluded: chain C residue 4145 VAL Chi-restraints excluded: chain C residue 4154 VAL Chi-restraints excluded: chain C residue 4159 ARG Chi-restraints excluded: chain C residue 4170 ILE Chi-restraints excluded: chain C residue 4172 GLU Chi-restraints excluded: chain C residue 4176 PRO 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 4184 MET Chi-restraints excluded: chain C residue 4196 GLU Chi-restraints excluded: chain C residue 4200 THR Chi-restraints excluded: chain C residue 4202 ARG Chi-restraints excluded: chain C residue 4220 ASP Chi-restraints excluded: chain C residue 4221 VAL Chi-restraints excluded: chain C residue 4232 GLU Chi-restraints excluded: chain C residue 4242 ILE Chi-restraints excluded: chain C residue 4244 GLU Chi-restraints excluded: chain C residue 4251 ILE Chi-restraints excluded: chain C residue 4546 VAL 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 4582 VAL Chi-restraints excluded: chain C residue 4632 LEU Chi-restraints excluded: chain C residue 4634 GLU Chi-restraints excluded: chain C residue 4645 CYS Chi-restraints excluded: chain C residue 4647 SER Chi-restraints excluded: chain C residue 4653 VAL Chi-restraints excluded: chain C residue 4662 ASN Chi-restraints excluded: chain C residue 4667 PRO Chi-restraints excluded: chain C residue 4669 VAL Chi-restraints excluded: chain C residue 4688 ILE Chi-restraints excluded: chain C residue 4689 THR Chi-restraints excluded: chain C residue 4694 ASP Chi-restraints excluded: chain C residue 4695 ASP Chi-restraints excluded: chain C residue 4698 LYS Chi-restraints excluded: chain C residue 4704 LEU Chi-restraints excluded: chain C residue 4707 ASN Chi-restraints excluded: chain C residue 4710 SER Chi-restraints excluded: chain C residue 4713 SER Chi-restraints excluded: chain C residue 4718 LYS Chi-restraints excluded: chain C residue 4722 ARG Chi-restraints excluded: chain C residue 4737 ILE Chi-restraints excluded: chain C residue 4741 LEU Chi-restraints excluded: chain C residue 4743 MET Chi-restraints excluded: chain C residue 4745 LEU Chi-restraints excluded: chain C residue 4766 THR Chi-restraints excluded: chain C residue 4788 SER Chi-restraints excluded: chain C residue 4816 ILE Chi-restraints excluded: chain C residue 4818 MET Chi-restraints excluded: chain C residue 4825 THR Chi-restraints excluded: chain C residue 4836 GLN Chi-restraints excluded: chain C residue 4838 VAL Chi-restraints excluded: chain C residue 4850 LEU Chi-restraints excluded: chain C residue 4869 GLU Chi-restraints excluded: chain C residue 4876 CYS Chi-restraints excluded: chain C residue 4879 MET Chi-restraints excluded: chain C residue 4880 MET Chi-restraints excluded: chain C residue 4881 THR Chi-restraints excluded: chain C residue 4901 ILE Chi-restraints excluded: chain C residue 4918 ILE Chi-restraints excluded: chain C residue 4919 THR Chi-restraints excluded: chain C residue 4942 GLU Chi-restraints excluded: chain C residue 4948 GLU Chi-restraints excluded: chain C residue 4952 GLU Chi-restraints excluded: chain C residue 4954 MET Chi-restraints excluded: chain C residue 4956 THR Chi-restraints excluded: chain C residue 4957 LYS Chi-restraints excluded: chain C residue 4961 CYS Chi-restraints excluded: chain C residue 4965 SER Chi-restraints excluded: chain C residue 4966 ASP Chi-restraints excluded: chain C residue 4980 LEU Chi-restraints excluded: chain C residue 4992 LEU Chi-restraints excluded: chain C residue 5002 GLU Chi-restraints excluded: chain C residue 5008 SER Chi-restraints excluded: chain D residue 13 PHE Chi-restraints excluded: chain D residue 18 ASP Chi-restraints excluded: chain D residue 24 CYS Chi-restraints excluded: chain D residue 25 SER Chi-restraints excluded: chain D residue 35 LEU Chi-restraints excluded: chain D residue 47 CYS Chi-restraints excluded: chain D residue 54 ASN Chi-restraints excluded: chain D residue 66 CYS Chi-restraints excluded: chain D residue 75 VAL Chi-restraints excluded: chain D residue 78 LEU Chi-restraints excluded: chain D residue 81 MET Chi-restraints excluded: chain D residue 82 LEU Chi-restraints excluded: chain D residue 99 ARG Chi-restraints excluded: chain D residue 109 LEU Chi-restraints excluded: chain D residue 115 ARG Chi-restraints excluded: chain D residue 119 SER Chi-restraints excluded: chain D residue 120 CYS Chi-restraints excluded: chain D residue 125 ARG Chi-restraints excluded: chain D residue 128 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 146 CYS Chi-restraints excluded: chain D residue 149 THR Chi-restraints excluded: chain D residue 156 GLN Chi-restraints excluded: chain D residue 167 ASP Chi-restraints excluded: chain D residue 169 LEU Chi-restraints excluded: chain D residue 184 THR Chi-restraints excluded: chain D residue 188 GLU Chi-restraints excluded: chain D residue 189 LEU Chi-restraints excluded: chain D residue 190 GLN Chi-restraints excluded: chain D residue 194 SER Chi-restraints excluded: chain D residue 197 GLN Chi-restraints excluded: chain D residue 202 MET Chi-restraints excluded: chain D residue 203 ASN Chi-restraints excluded: chain D residue 205 ILE Chi-restraints excluded: chain D residue 210 GLU Chi-restraints excluded: chain D residue 214 VAL Chi-restraints excluded: chain D residue 215 THR Chi-restraints excluded: chain D residue 218 HIS Chi-restraints excluded: chain D residue 220 LEU Chi-restraints excluded: chain D residue 232 THR Chi-restraints excluded: chain D residue 253 CYS Chi-restraints excluded: chain D residue 255 HIS Chi-restraints excluded: chain D residue 257 ARG Chi-restraints excluded: chain D residue 258 SER Chi-restraints excluded: chain D residue 264 PRO Chi-restraints excluded: chain D residue 265 LEU Chi-restraints excluded: chain D residue 266 ARG Chi-restraints excluded: chain D residue 268 SER Chi-restraints excluded: chain D residue 272 SER Chi-restraints excluded: chain D residue 281 ARG Chi-restraints excluded: chain D residue 286 THR Chi-restraints excluded: chain D residue 290 TYR Chi-restraints excluded: chain D residue 291 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 305 CYS Chi-restraints excluded: chain D residue 309 THR Chi-restraints excluded: chain D residue 315 CYS Chi-restraints excluded: chain D residue 317 ARG Chi-restraints excluded: chain D residue 318 VAL Chi-restraints excluded: chain D residue 319 SER Chi-restraints excluded: chain D residue 320 LYS Chi-restraints excluded: chain D residue 321 GLU Chi-restraints excluded: chain D residue 346 CYS Chi-restraints excluded: chain D residue 348 VAL Chi-restraints excluded: chain D residue 353 SER Chi-restraints excluded: chain D residue 358 THR Chi-restraints excluded: chain D residue 359 TYR Chi-restraints excluded: chain D residue 377 ILE Chi-restraints excluded: chain D residue 384 MET Chi-restraints excluded: chain D residue 386 ASP Chi-restraints excluded: chain D residue 389 PHE Chi-restraints excluded: chain D residue 392 ARG Chi-restraints excluded: chain D residue 396 GLU Chi-restraints excluded: chain D residue 397 GLU Chi-restraints excluded: chain D residue 404 ILE Chi-restraints excluded: chain D residue 405 HIS Chi-restraints excluded: chain D residue 407 THR Chi-restraints excluded: chain D residue 413 GLN Chi-restraints excluded: chain D residue 420 SER Chi-restraints excluded: chain D residue 441 VAL Chi-restraints excluded: chain D residue 442 ILE Chi-restraints excluded: chain D residue 447 ASP Chi-restraints excluded: chain D residue 448 LEU Chi-restraints excluded: chain D residue 456 SER Chi-restraints excluded: chain D residue 470 SER Chi-restraints excluded: chain D residue 487 VAL Chi-restraints excluded: chain D residue 494 LEU Chi-restraints excluded: chain D residue 495 ASN Chi-restraints excluded: chain D residue 505 GLU Chi-restraints excluded: chain D residue 510 GLU Chi-restraints excluded: chain D residue 521 LEU Chi-restraints excluded: chain D residue 528 SER 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 540 PHE Chi-restraints excluded: chain D residue 545 ASP Chi-restraints excluded: chain D residue 549 SER Chi-restraints excluded: chain D residue 554 LEU Chi-restraints excluded: chain D residue 560 ILE Chi-restraints excluded: chain D residue 569 ILE Chi-restraints excluded: chain D residue 575 LEU Chi-restraints excluded: chain D residue 577 ILE Chi-restraints excluded: chain D residue 578 ILE Chi-restraints excluded: chain D residue 580 GLU Chi-restraints excluded: chain D residue 587 ILE Chi-restraints excluded: chain D residue 612 VAL Chi-restraints excluded: chain D residue 621 ILE Chi-restraints excluded: chain D residue 625 LEU Chi-restraints excluded: chain D residue 629 ARG Chi-restraints excluded: chain D residue 637 LEU Chi-restraints excluded: chain D residue 645 ARG Chi-restraints excluded: chain D residue 652 ARG Chi-restraints excluded: chain D residue 657 THR Chi-restraints excluded: chain D residue 667 MET Chi-restraints excluded: chain D residue 668 VAL Chi-restraints excluded: chain D residue 675 LEU 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 707 VAL Chi-restraints excluded: chain D residue 709 ASP Chi-restraints excluded: chain D residue 710 ASP Chi-restraints excluded: chain D residue 723 THR Chi-restraints excluded: chain D residue 735 GLN Chi-restraints excluded: chain D residue 751 SER Chi-restraints excluded: chain D residue 755 ILE 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 768 PHE Chi-restraints excluded: chain D residue 773 LEU Chi-restraints excluded: chain D residue 778 PHE Chi-restraints excluded: chain D residue 781 VAL Chi-restraints excluded: chain D residue 788 LYS Chi-restraints excluded: chain D residue 800 PHE Chi-restraints excluded: chain D residue 801 LYS Chi-restraints excluded: chain D residue 821 LEU Chi-restraints excluded: chain D residue 822 ARG Chi-restraints excluded: chain D residue 826 ILE Chi-restraints excluded: chain D residue 831 ARG Chi-restraints excluded: chain D residue 840 VAL Chi-restraints excluded: chain D residue 870 ILE Chi-restraints excluded: chain D residue 924 MET Chi-restraints excluded: chain D residue 925 SER Chi-restraints excluded: chain D residue 932 LEU Chi-restraints excluded: chain D residue 961 MET Chi-restraints excluded: chain D residue 978 THR Chi-restraints excluded: chain D residue 1043 VAL Chi-restraints excluded: chain D residue 1072 VAL Chi-restraints excluded: chain D residue 1074 ILE Chi-restraints excluded: chain D residue 1085 SER Chi-restraints excluded: chain D residue 1087 ARG Chi-restraints excluded: chain D residue 1093 GLU Chi-restraints excluded: chain D residue 1095 VAL Chi-restraints excluded: chain D residue 1113 VAL Chi-restraints excluded: chain D residue 1123 VAL Chi-restraints excluded: chain D residue 1127 HIS Chi-restraints excluded: chain D residue 1131 ARG Chi-restraints excluded: chain D residue 1137 GLU Chi-restraints excluded: chain D residue 1139 PHE Chi-restraints excluded: chain D residue 1141 ARG Chi-restraints excluded: chain D residue 1143 TRP Chi-restraints excluded: chain D residue 1145 SER Chi-restraints excluded: chain D residue 1147 ASP Chi-restraints excluded: chain D residue 1151 CYS Chi-restraints excluded: chain D residue 1152 MET Chi-restraints excluded: chain D residue 1153 ILE Chi-restraints excluded: chain D residue 1154 ASP Chi-restraints excluded: chain D residue 1155 LEU Chi-restraints excluded: chain D residue 1163 THR Chi-restraints excluded: chain D residue 1164 LEU Chi-restraints excluded: chain D residue 1168 VAL Chi-restraints excluded: chain D residue 1169 LEU Chi-restraints excluded: chain D residue 1171 SER Chi-restraints excluded: chain D residue 1173 SER Chi-restraints excluded: chain D residue 1182 ILE Chi-restraints excluded: chain D residue 1190 PRO Chi-restraints excluded: chain D residue 1192 CYS Chi-restraints excluded: chain D residue 1193 SER Chi-restraints excluded: chain D residue 1198 GLN Chi-restraints excluded: chain D residue 1202 LEU Chi-restraints excluded: chain D residue 1204 LEU Chi-restraints excluded: chain D residue 1208 VAL Chi-restraints excluded: chain D residue 1216 ILE Chi-restraints excluded: chain D residue 1219 LEU Chi-restraints excluded: chain D residue 1234 VAL Chi-restraints excluded: chain D residue 1238 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 1259 ARG Chi-restraints excluded: chain D residue 1269 CYS Chi-restraints excluded: chain D residue 1271 ARG Chi-restraints excluded: chain D residue 1282 SER Chi-restraints excluded: chain D residue 1283 LEU Chi-restraints excluded: chain D residue 1287 LEU Chi-restraints excluded: chain D residue 1431 THR Chi-restraints excluded: chain D residue 1437 VAL Chi-restraints excluded: chain D residue 1439 VAL Chi-restraints excluded: chain D residue 1453 VAL Chi-restraints excluded: chain D residue 1457 TYR Chi-restraints excluded: chain D residue 1460 HIS Chi-restraints excluded: chain D residue 1466 LEU Chi-restraints excluded: chain D residue 1467 SER Chi-restraints excluded: chain D residue 1469 VAL Chi-restraints excluded: chain D residue 1472 VAL Chi-restraints excluded: chain D residue 1483 VAL Chi-restraints excluded: chain D residue 1485 SER Chi-restraints excluded: chain D residue 1486 SER Chi-restraints excluded: chain D residue 1576 SER Chi-restraints excluded: chain D residue 1580 PHE Chi-restraints excluded: chain D residue 1595 LEU Chi-restraints excluded: chain D residue 1597 VAL Chi-restraints excluded: chain D residue 1599 MET Chi-restraints excluded: chain D residue 1600 LEU Chi-restraints excluded: chain D residue 1603 VAL Chi-restraints excluded: chain D residue 1607 ARG Chi-restraints excluded: chain D residue 1610 ASN Chi-restraints excluded: chain D residue 1634 LEU Chi-restraints excluded: chain D residue 1641 ILE Chi-restraints excluded: chain D residue 1642 PRO Chi-restraints excluded: chain D residue 1647 CYS Chi-restraints excluded: chain D residue 1657 LEU Chi-restraints excluded: chain D residue 1666 THR Chi-restraints excluded: chain D residue 1671 ARG Chi-restraints excluded: chain D residue 1673 VAL Chi-restraints excluded: chain D residue 1679 ASN Chi-restraints excluded: chain D residue 1685 LEU Chi-restraints excluded: chain D residue 1687 SER Chi-restraints excluded: chain D residue 1689 VAL Chi-restraints excluded: chain D residue 1698 LEU Chi-restraints excluded: chain D residue 1699 GLU Chi-restraints excluded: chain D residue 1700 ASP Chi-restraints excluded: chain D residue 1704 PRO Chi-restraints excluded: chain D residue 1706 PRO Chi-restraints excluded: chain D residue 1717 SER Chi-restraints excluded: chain D residue 1720 LEU Chi-restraints excluded: chain D residue 1733 GLU Chi-restraints excluded: chain D residue 1736 VAL Chi-restraints excluded: chain D residue 1738 LEU Chi-restraints excluded: chain D residue 1739 THR Chi-restraints excluded: chain D residue 1760 HIS Chi-restraints excluded: chain D residue 1770 SER Chi-restraints excluded: chain D residue 1771 LEU 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 1802 ILE Chi-restraints excluded: chain D residue 1812 LEU Chi-restraints excluded: chain D residue 1815 LEU Chi-restraints excluded: chain D residue 1830 VAL Chi-restraints excluded: chain D residue 1834 VAL Chi-restraints excluded: chain D residue 1849 LEU Chi-restraints excluded: chain D residue 1857 GLU Chi-restraints excluded: chain D residue 1858 ASP Chi-restraints excluded: chain D residue 1869 GLU Chi-restraints excluded: chain D residue 1872 THR Chi-restraints excluded: chain D residue 1873 GLU Chi-restraints excluded: chain D residue 1929 MET Chi-restraints excluded: chain D residue 1930 LYS Chi-restraints excluded: chain D residue 1934 SER Chi-restraints excluded: chain D residue 1955 VAL Chi-restraints excluded: chain D residue 1961 PHE Chi-restraints excluded: chain D residue 1966 VAL Chi-restraints excluded: chain D residue 1969 LEU Chi-restraints excluded: chain D residue 1993 ARG Chi-restraints excluded: chain D residue 1995 THR Chi-restraints excluded: chain D residue 1996 ARG Chi-restraints excluded: chain D residue 2020 ASP Chi-restraints excluded: chain D residue 2027 ILE Chi-restraints excluded: chain D residue 2037 ASP Chi-restraints excluded: chain D residue 2039 LEU Chi-restraints excluded: chain D residue 2093 SER Chi-restraints excluded: chain D residue 2094 LEU Chi-restraints excluded: chain D residue 2095 GLN Chi-restraints excluded: chain D residue 2097 LEU Chi-restraints excluded: chain D residue 2098 VAL Chi-restraints excluded: chain D residue 2111 VAL Chi-restraints excluded: chain D residue 2122 SER Chi-restraints excluded: chain D residue 2136 ARG 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 2156 LEU Chi-restraints excluded: chain D residue 2161 GLN Chi-restraints excluded: chain D residue 2166 LEU Chi-restraints excluded: chain D residue 2167 ILE Chi-restraints excluded: chain D residue 2169 GLN Chi-restraints excluded: chain D residue 2170 MET Chi-restraints excluded: chain D residue 2173 GLN Chi-restraints excluded: chain D residue 2175 GLU Chi-restraints excluded: chain D residue 2186 MET Chi-restraints excluded: chain D residue 2187 ASN Chi-restraints excluded: chain D residue 2197 LEU Chi-restraints excluded: chain D residue 2199 ARG Chi-restraints excluded: chain D residue 2221 LYS Chi-restraints excluded: chain D residue 2227 LYS Chi-restraints excluded: chain D residue 2228 MET Chi-restraints excluded: chain D residue 2229 VAL Chi-restraints excluded: chain D residue 2230 THR Chi-restraints excluded: chain D residue 2238 TYR Chi-restraints excluded: chain D residue 2241 ARG Chi-restraints excluded: chain D residue 2242 ILE Chi-restraints excluded: chain D residue 2244 ARG Chi-restraints excluded: chain D residue 2270 SER Chi-restraints excluded: chain D residue 2274 ASP Chi-restraints excluded: chain D residue 2275 VAL Chi-restraints excluded: chain D residue 2280 VAL Chi-restraints excluded: chain D residue 2281 ILE Chi-restraints excluded: chain D residue 2290 LEU Chi-restraints excluded: chain D residue 2293 GLN Chi-restraints excluded: chain D residue 2294 ASP Chi-restraints excluded: chain D residue 2295 LEU Chi-restraints excluded: chain D residue 2296 GLU Chi-restraints excluded: chain D residue 2299 VAL Chi-restraints excluded: chain D residue 2300 SER Chi-restraints excluded: chain D residue 2312 MET Chi-restraints excluded: chain D residue 2314 LEU Chi-restraints excluded: chain D residue 2324 ASN Chi-restraints excluded: chain D residue 2333 ASP Chi-restraints excluded: chain D residue 2336 ARG Chi-restraints excluded: chain D residue 2341 VAL Chi-restraints excluded: chain D residue 2345 SER Chi-restraints excluded: chain D residue 2346 VAL Chi-restraints excluded: chain D residue 2352 VAL Chi-restraints excluded: chain D residue 2353 VAL Chi-restraints excluded: chain D residue 2368 LEU Chi-restraints excluded: chain D residue 2377 LEU Chi-restraints excluded: chain D residue 2387 SER Chi-restraints excluded: chain D residue 2416 VAL Chi-restraints excluded: chain D residue 2423 MET Chi-restraints excluded: chain D residue 2430 ILE Chi-restraints excluded: chain D residue 2442 LEU Chi-restraints excluded: chain D residue 2454 ARG Chi-restraints excluded: chain D residue 2458 ARG Chi-restraints excluded: chain D residue 2460 LEU Chi-restraints excluded: chain D residue 2461 VAL Chi-restraints excluded: chain D residue 2479 LEU Chi-restraints excluded: chain D residue 3644 LEU Chi-restraints excluded: chain D residue 3652 MET Chi-restraints excluded: chain D residue 3656 SER Chi-restraints excluded: chain D residue 3661 TRP Chi-restraints excluded: chain D residue 3662 ILE Chi-restraints excluded: chain D residue 3663 LEU Chi-restraints excluded: chain D residue 3669 PHE Chi-restraints excluded: chain D residue 3670 GLU Chi-restraints excluded: chain D residue 3678 SER Chi-restraints excluded: chain D residue 3694 LYS Chi-restraints excluded: chain D residue 3696 ASP Chi-restraints excluded: chain D residue 3707 ARG Chi-restraints excluded: chain D residue 3711 THR Chi-restraints excluded: chain D residue 3719 ASP Chi-restraints excluded: chain D residue 3732 SER Chi-restraints excluded: chain D residue 3733 CYS Chi-restraints excluded: chain D residue 3752 SER Chi-restraints excluded: chain D residue 3754 GLU Chi-restraints excluded: chain D residue 3764 LEU Chi-restraints excluded: chain D residue 3772 THR Chi-restraints excluded: chain D residue 3779 VAL Chi-restraints excluded: chain D residue 3787 LYS Chi-restraints excluded: chain D residue 3793 MET Chi-restraints excluded: chain D residue 3795 SER Chi-restraints excluded: chain D residue 3803 SER Chi-restraints excluded: chain D residue 3822 ASP Chi-restraints excluded: chain D residue 3826 VAL Chi-restraints excluded: chain D residue 3837 GLN Chi-restraints excluded: chain D residue 3841 VAL Chi-restraints excluded: chain D residue 3852 LYS Chi-restraints excluded: chain D residue 3867 ASN Chi-restraints excluded: chain D residue 3869 GLN Chi-restraints excluded: chain D residue 3870 ASN Chi-restraints excluded: chain D residue 3872 GLU Chi-restraints excluded: chain D residue 3873 LYS Chi-restraints excluded: chain D residue 3874 VAL Chi-restraints excluded: chain D residue 3893 GLU Chi-restraints excluded: chain D residue 3904 ARG Chi-restraints excluded: chain D residue 3907 THR Chi-restraints excluded: chain D residue 3916 ILE Chi-restraints excluded: chain D residue 3924 LEU Chi-restraints excluded: chain D residue 3929 SER Chi-restraints excluded: chain D residue 3930 ILE Chi-restraints excluded: chain D residue 3933 PHE Chi-restraints excluded: chain D residue 3938 SER Chi-restraints excluded: chain D residue 3942 VAL Chi-restraints excluded: chain D residue 3945 GLU Chi-restraints excluded: chain D residue 3952 SER Chi-restraints excluded: chain D residue 3969 ILE Chi-restraints excluded: chain D residue 3970 GLN Chi-restraints excluded: chain D residue 3995 VAL Chi-restraints excluded: chain D residue 4005 GLN Chi-restraints excluded: chain D residue 4008 SER Chi-restraints excluded: chain D residue 4014 LYS Chi-restraints excluded: chain D residue 4018 ASP 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 4048 LEU Chi-restraints excluded: chain D residue 4049 VAL Chi-restraints excluded: chain D residue 4051 SER Chi-restraints excluded: chain D residue 4052 SER Chi-restraints excluded: chain D residue 4053 SER Chi-restraints excluded: chain D residue 4055 VAL Chi-restraints excluded: chain D residue 4064 MET Chi-restraints excluded: chain D residue 4067 LYS Chi-restraints excluded: chain D residue 4072 VAL Chi-restraints excluded: chain D residue 4075 GLU Chi-restraints excluded: chain D residue 4082 THR Chi-restraints excluded: chain D residue 4087 LEU Chi-restraints excluded: chain D residue 4088 ILE Chi-restraints excluded: chain D residue 4098 ASP Chi-restraints excluded: chain D residue 4100 GLN Chi-restraints excluded: chain D residue 4106 PRO Chi-restraints excluded: chain D residue 4107 GLU Chi-restraints excluded: chain D residue 4109 GLN Chi-restraints excluded: chain D residue 4110 PHE Chi-restraints excluded: chain D residue 4111 LEU Chi-restraints excluded: chain D residue 4112 LEU Chi-restraints excluded: chain D residue 4113 SER Chi-restraints excluded: chain D residue 4125 PHE Chi-restraints excluded: chain D residue 4127 GLU Chi-restraints excluded: chain D residue 4135 PRO Chi-restraints excluded: chain D residue 4139 ILE Chi-restraints excluded: chain D residue 4145 VAL Chi-restraints excluded: chain D residue 4154 VAL Chi-restraints excluded: chain D residue 4159 ARG Chi-restraints excluded: chain D residue 4170 ILE Chi-restraints excluded: chain D residue 4172 GLU Chi-restraints excluded: chain D residue 4178 LEU Chi-restraints excluded: chain D residue 4184 MET Chi-restraints excluded: chain D residue 4196 GLU Chi-restraints excluded: chain D residue 4200 THR Chi-restraints excluded: chain D residue 4220 ASP Chi-restraints excluded: chain D residue 4221 VAL Chi-restraints excluded: chain D residue 4232 GLU Chi-restraints excluded: chain D residue 4242 ILE Chi-restraints excluded: chain D residue 4244 GLU Chi-restraints excluded: chain D residue 4251 ILE 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 4565 LEU Chi-restraints excluded: chain D residue 4568 PHE Chi-restraints excluded: chain D residue 4582 VAL Chi-restraints excluded: chain D residue 4632 LEU Chi-restraints excluded: chain D residue 4634 GLU Chi-restraints excluded: chain D residue 4645 CYS Chi-restraints excluded: chain D residue 4647 SER Chi-restraints excluded: chain D residue 4653 VAL Chi-restraints excluded: chain D residue 4662 ASN Chi-restraints excluded: chain D residue 4667 PRO Chi-restraints excluded: chain D residue 4669 VAL Chi-restraints excluded: chain D residue 4688 ILE Chi-restraints excluded: chain D residue 4689 THR Chi-restraints excluded: chain D residue 4694 ASP Chi-restraints excluded: chain D residue 4695 ASP Chi-restraints excluded: chain D residue 4698 LYS Chi-restraints excluded: chain D residue 4704 LEU Chi-restraints excluded: chain D residue 4707 ASN Chi-restraints excluded: chain D residue 4710 SER Chi-restraints excluded: chain D residue 4713 SER Chi-restraints excluded: chain D residue 4718 LYS Chi-restraints excluded: chain D residue 4722 ARG Chi-restraints excluded: chain D residue 4737 ILE Chi-restraints excluded: chain D residue 4741 LEU Chi-restraints excluded: chain D residue 4743 MET Chi-restraints excluded: chain D residue 4745 LEU Chi-restraints excluded: chain D residue 4766 THR Chi-restraints excluded: chain D residue 4788 SER Chi-restraints excluded: chain D residue 4816 ILE Chi-restraints excluded: chain D residue 4818 MET Chi-restraints excluded: chain D residue 4825 THR Chi-restraints excluded: chain D residue 4836 GLN Chi-restraints excluded: chain D residue 4838 VAL Chi-restraints excluded: chain D residue 4850 LEU Chi-restraints excluded: chain D residue 4869 GLU Chi-restraints excluded: chain D residue 4874 MET Chi-restraints excluded: chain D residue 4879 MET Chi-restraints excluded: chain D residue 4880 MET Chi-restraints excluded: chain D residue 4881 THR Chi-restraints excluded: chain D residue 4901 ILE Chi-restraints excluded: chain D residue 4918 ILE Chi-restraints excluded: chain D residue 4919 THR Chi-restraints excluded: chain D residue 4948 GLU Chi-restraints excluded: chain D residue 4952 GLU Chi-restraints excluded: chain D residue 4954 MET Chi-restraints excluded: chain D residue 4956 THR Chi-restraints excluded: chain D residue 4961 CYS Chi-restraints excluded: chain D residue 4965 SER Chi-restraints excluded: chain D residue 4966 ASP Chi-restraints excluded: chain D residue 4980 LEU Chi-restraints excluded: chain D residue 4992 LEU Chi-restraints excluded: chain D residue 5002 GLU Chi-restraints excluded: chain D residue 5008 SER Chi-restraints excluded: chain D residue 5023 PRO Rotamers are restrained with sigma=2.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 0 random chunks: chunk None optimal weight: 5.9990 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 379 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A 413 GLN ** A 624 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 720 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1443 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2005 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A2011 HIS ** A2107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2193 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2260 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2268 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2444 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A3830 GLN ** A4094 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4806 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A5003 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 297 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 379 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B 413 GLN ** B 473 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 624 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B 720 HIS B 725 HIS B1231 GLN ** B1443 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2005 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B2011 HIS ** B2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2193 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2260 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2268 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2444 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4094 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4806 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 379 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C 380 GLN C 413 GLN ** C 624 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C1231 GLN ** C1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C2011 HIS ** C2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2193 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2260 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C2284 ASN ** C2444 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4094 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4806 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C5003 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 297 GLN ** 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 380 GLN D 413 GLN ** D 624 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D2011 HIS ** D2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2193 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2260 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2268 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D2284 ASN ** D2293 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2444 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3946 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4094 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4806 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D5003 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 17 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7819 moved from start: 0.8786 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.060 0.668 113365 Z= 3.864 Angle : 2.902 42.526 154462 Z= 1.533 Chirality : 0.185 1.331 18087 Planarity : 0.021 0.437 20349 Dihedral : 14.372 178.181 17057 Min Nonbonded Distance : 0.717 Molprobity Statistics. All-atom Clashscore : 51.92 Ramachandran Plot: Outliers : 2.72 % Allowed : 25.80 % Favored : 71.47 % Rotamer: Outliers : 23.98 % Allowed : 24.36 % Favored : 51.65 % Cbeta Deviations : 1.01 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 5.67 % Twisted General : 2.80 % 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: -6.80 (0.05), residues: 12368 helix: -4.29 (0.04), residues: 5680 sheet: -3.52 (0.12), residues: 1312 loop : -5.00 (0.06), residues: 5376 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.066 0.012 TRP D4794 HIS 0.041 0.007 HIS C4650 PHE 0.083 0.013 PHE D4559 TYR 0.088 0.012 TYR B 359 ARG 0.032 0.003 ARG C4892 *********************** REFINEMENT MACRO_CYCLE 7 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 24736 Ramachandran restraints generated. 12368 Oldfield, 0 Emsley, 12368 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 24736 Ramachandran restraints generated. 12368 Oldfield, 0 Emsley, 12368 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3181 residues out of total 10876 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2331 poor density : 850 time to evaluate : 8.822 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: A 32 GLN cc_start: 0.7065 (OUTLIER) cc_final: 0.6233 (mt0) REVERT: A 65 CYS cc_start: 0.8404 (m) cc_final: 0.7907 (t) REVERT: A 169 LEU cc_start: 0.6960 (OUTLIER) cc_final: 0.6609 (mt) REVERT: A 189 LEU cc_start: 0.8262 (OUTLIER) cc_final: 0.7928 (mt) REVERT: A 197 GLN cc_start: 0.8482 (OUTLIER) cc_final: 0.8188 (tt0) REVERT: A 218 HIS cc_start: 0.7352 (OUTLIER) cc_final: 0.6964 (m90) REVERT: A 276 TRP cc_start: 0.5993 (OUTLIER) cc_final: 0.5676 (m-10) REVERT: A 281 ARG cc_start: 0.5769 (OUTLIER) cc_final: 0.4682 (mtp180) REVERT: A 317 ARG cc_start: 0.7455 (OUTLIER) cc_final: 0.6340 (mmp80) REVERT: A 334 MET cc_start: 0.6936 (OUTLIER) cc_final: 0.5991 (mmp) REVERT: A 346 CYS cc_start: 0.6209 (OUTLIER) cc_final: 0.5279 (p) REVERT: A 392 ARG cc_start: 0.5827 (OUTLIER) cc_final: 0.5295 (ptt-90) REVERT: A 481 GLU cc_start: 0.7981 (OUTLIER) cc_final: 0.7321 (mp0) REVERT: A 510 GLU cc_start: 0.6711 (OUTLIER) cc_final: 0.6279 (mm-30) REVERT: A 513 GLU cc_start: 0.8168 (mp0) cc_final: 0.7829 (mp0) REVERT: A 521 LEU cc_start: 0.8814 (OUTLIER) cc_final: 0.8069 (mp) REVERT: A 575 LEU cc_start: 0.9004 (OUTLIER) cc_final: 0.8779 (mp) REVERT: A 625 LEU cc_start: 0.6192 (OUTLIER) cc_final: 0.5459 (tp) REVERT: A 629 ARG cc_start: 0.8563 (OUTLIER) cc_final: 0.6506 (mmt90) REVERT: A 663 TYR cc_start: 0.4054 (OUTLIER) cc_final: 0.1359 (t80) REVERT: A 667 MET cc_start: 0.6853 (OUTLIER) cc_final: 0.6183 (tmm) REVERT: A 710 ASP cc_start: 0.8295 (OUTLIER) cc_final: 0.8053 (p0) REVERT: A 800 PHE cc_start: 0.6697 (OUTLIER) cc_final: 0.5629 (m-10) REVERT: A 801 LYS cc_start: 0.7845 (OUTLIER) cc_final: 0.6549 (mmtt) REVERT: A 802 PHE cc_start: 0.6501 (OUTLIER) cc_final: 0.5661 (m-80) REVERT: A 831 ARG cc_start: 0.7778 (OUTLIER) cc_final: 0.7347 (ptp-110) REVERT: A 933 LEU cc_start: 0.4149 (OUTLIER) cc_final: 0.3849 (pp) REVERT: A 961 MET cc_start: 0.5036 (OUTLIER) cc_final: 0.4013 (ptt) REVERT: A 1029 GLU cc_start: 0.4204 (OUTLIER) cc_final: 0.3753 (mp0) REVERT: A 1106 ARG cc_start: 0.8276 (OUTLIER) cc_final: 0.7898 (mmt-90) REVERT: A 1127 HIS cc_start: 0.6484 (OUTLIER) cc_final: 0.5687 (t70) REVERT: A 1137 GLU cc_start: 0.7943 (OUTLIER) cc_final: 0.7427 (mm-30) REVERT: A 1141 ARG cc_start: 0.7893 (OUTLIER) cc_final: 0.7650 (ptt90) REVERT: A 1259 ARG cc_start: 0.8569 (OUTLIER) cc_final: 0.7595 (mtt90) REVERT: A 1271 ARG cc_start: 0.7677 (OUTLIER) cc_final: 0.7119 (ttp-110) REVERT: A 1580 PHE cc_start: 0.8494 (OUTLIER) cc_final: 0.6402 (t80) REVERT: A 1600 LEU cc_start: 0.8915 (OUTLIER) cc_final: 0.7935 (tp) REVERT: A 1654 SER cc_start: 0.8471 (OUTLIER) cc_final: 0.8098 (t) REVERT: A 1657 LEU cc_start: 0.9309 (OUTLIER) cc_final: 0.9027 (mp) REVERT: A 1671 ARG cc_start: 0.8650 (OUTLIER) cc_final: 0.8055 (mtm-85) REVERT: A 1700 ASP cc_start: 0.8585 (OUTLIER) cc_final: 0.8195 (m-30) REVERT: A 1720 LEU cc_start: 0.9055 (OUTLIER) cc_final: 0.8339 (mp) REVERT: A 1733 GLU cc_start: 0.8248 (OUTLIER) cc_final: 0.7144 (mt-10) REVERT: A 1772 ARG cc_start: 0.8783 (OUTLIER) cc_final: 0.8461 (mtt-85) REVERT: A 1815 LEU cc_start: 0.9056 (OUTLIER) cc_final: 0.8316 (mp) REVERT: A 2039 LEU cc_start: 0.8653 (OUTLIER) cc_final: 0.8231 (mp) REVERT: A 2092 GLN cc_start: 0.7615 (mm-40) cc_final: 0.7362 (mm-40) REVERT: A 2161 GLN cc_start: 0.8696 (OUTLIER) cc_final: 0.7809 (tm-30) REVERT: A 2169 GLN cc_start: 0.8772 (OUTLIER) cc_final: 0.8029 (tt0) REVERT: A 2170 MET cc_start: 0.7718 (OUTLIER) cc_final: 0.6819 (tmm) REVERT: A 2197 LEU cc_start: 0.8498 (OUTLIER) cc_final: 0.8172 (mp) REVERT: A 2199 ARG cc_start: 0.8469 (OUTLIER) cc_final: 0.7248 (mtm-85) REVERT: A 2221 LYS cc_start: 0.6502 (OUTLIER) cc_final: 0.6018 (tttt) REVERT: A 2225 PHE cc_start: 0.7869 (OUTLIER) cc_final: 0.7646 (m-80) REVERT: A 2227 LYS cc_start: 0.8662 (OUTLIER) cc_final: 0.8316 (ttmm) REVERT: A 2244 ARG cc_start: 0.8060 (OUTLIER) cc_final: 0.7323 (mtp85) REVERT: A 2259 GLU cc_start: 0.8475 (OUTLIER) cc_final: 0.7747 (pm20) REVERT: A 2284 ASN cc_start: 0.7830 (OUTLIER) cc_final: 0.7159 (t0) REVERT: A 2295 LEU cc_start: 0.7935 (OUTLIER) cc_final: 0.7581 (mm) REVERT: A 2296 GLU cc_start: 0.8807 (OUTLIER) cc_final: 0.8332 (tp30) REVERT: A 2416 VAL cc_start: 0.8118 (OUTLIER) cc_final: 0.7870 (t) REVERT: A 3669 PHE cc_start: 0.8638 (OUTLIER) cc_final: 0.8126 (p90) REVERT: A 3670 GLU cc_start: 0.8518 (OUTLIER) cc_final: 0.8089 (mp0) REVERT: A 3694 LYS cc_start: 0.8357 (OUTLIER) cc_final: 0.7554 (ptmm) REVERT: A 3707 ARG cc_start: 0.8452 (OUTLIER) cc_final: 0.7651 (ptt90) REVERT: A 3756 LYS cc_start: 0.7048 (OUTLIER) cc_final: 0.6844 (pttt) REVERT: A 3758 MET cc_start: 0.7628 (tpp) cc_final: 0.7209 (tpp) REVERT: A 3787 LYS cc_start: 0.9196 (OUTLIER) cc_final: 0.8630 (mttp) REVERT: A 3837 GLN cc_start: 0.9015 (OUTLIER) cc_final: 0.8562 (mt0) REVERT: A 3904 ARG cc_start: 0.9186 (OUTLIER) cc_final: 0.8735 (ttp-110) REVERT: A 3916 ILE cc_start: 0.8824 (OUTLIER) cc_final: 0.8594 (mt) REVERT: A 3924 LEU cc_start: 0.8968 (OUTLIER) cc_final: 0.8597 (tt) REVERT: A 3970 GLN cc_start: 0.8232 (OUTLIER) cc_final: 0.7856 (tt0) REVERT: A 4005 GLN cc_start: 0.6992 (OUTLIER) cc_final: 0.6072 (mp10) REVERT: A 4012 LEU cc_start: 0.8321 (OUTLIER) cc_final: 0.8115 (mp) REVERT: A 4015 GLU cc_start: 0.7880 (OUTLIER) cc_final: 0.7524 (mm-30) REVERT: A 4026 MET cc_start: 0.8891 (OUTLIER) cc_final: 0.8505 (tmm) REVERT: A 4075 GLU cc_start: 0.5014 (OUTLIER) cc_final: 0.4408 (pt0) REVERT: A 4100 GLN cc_start: 0.5336 (OUTLIER) cc_final: 0.4604 (mm110) REVERT: A 4102 GLN cc_start: 0.4599 (OUTLIER) cc_final: 0.4089 (pt0) REVERT: A 4110 PHE cc_start: 0.3327 (OUTLIER) cc_final: 0.2632 (m-80) REVERT: A 4125 PHE cc_start: 0.1903 (OUTLIER) cc_final: 0.1175 (p90) REVERT: A 4135 PRO cc_start: 0.7554 (OUTLIER) cc_final: 0.7271 (Cg_endo) REVERT: A 4159 ARG cc_start: 0.8826 (OUTLIER) cc_final: 0.8127 (mtm-85) REVERT: A 4172 GLU cc_start: 0.8286 (OUTLIER) cc_final: 0.7556 (mp0) REVERT: A 4196 GLU cc_start: 0.8832 (OUTLIER) cc_final: 0.8620 (tt0) REVERT: A 4232 GLU cc_start: 0.9022 (OUTLIER) cc_final: 0.8159 (tt0) REVERT: A 4244 GLU cc_start: 0.8916 (OUTLIER) cc_final: 0.8065 (mm-30) REVERT: A 4568 PHE cc_start: 0.8819 (OUTLIER) cc_final: 0.8004 (t80) REVERT: A 4632 LEU cc_start: 0.8802 (OUTLIER) cc_final: 0.8462 (tt) REVERT: A 4718 LYS cc_start: 0.8907 (OUTLIER) cc_final: 0.8599 (mmtm) REVERT: A 4741 LEU cc_start: 0.9239 (OUTLIER) cc_final: 0.8727 (mp) REVERT: A 4796 MET cc_start: 0.8917 (OUTLIER) cc_final: 0.8045 (tpt) REVERT: A 4836 GLN cc_start: 0.9153 (OUTLIER) cc_final: 0.8343 (mt0) REVERT: A 4839 MET cc_start: 0.9228 (mmm) cc_final: 0.8980 (mtp) REVERT: A 4948 GLU cc_start: 0.8797 (OUTLIER) cc_final: 0.8166 (mp0) REVERT: B 32 GLN cc_start: 0.6835 (OUTLIER) cc_final: 0.6047 (mt0) REVERT: B 65 CYS cc_start: 0.8356 (m) cc_final: 0.7900 (t) REVERT: B 169 LEU cc_start: 0.7085 (OUTLIER) cc_final: 0.6722 (mt) REVERT: B 189 LEU cc_start: 0.8275 (OUTLIER) cc_final: 0.8024 (mt) REVERT: B 197 GLN cc_start: 0.8433 (OUTLIER) cc_final: 0.8149 (tt0) REVERT: B 218 HIS cc_start: 0.7457 (OUTLIER) cc_final: 0.7066 (m90) REVERT: B 317 ARG cc_start: 0.7469 (OUTLIER) cc_final: 0.6403 (mmp80) REVERT: B 334 MET cc_start: 0.6962 (OUTLIER) cc_final: 0.6001 (mmp) REVERT: B 346 CYS cc_start: 0.6231 (OUTLIER) cc_final: 0.5398 (p) REVERT: B 392 ARG cc_start: 0.5944 (OUTLIER) cc_final: 0.5533 (ptt-90) REVERT: B 396 GLU cc_start: 0.7099 (OUTLIER) cc_final: 0.6759 (pp20) REVERT: B 521 LEU cc_start: 0.8813 (OUTLIER) cc_final: 0.8059 (mp) REVERT: B 575 LEU cc_start: 0.9007 (OUTLIER) cc_final: 0.8778 (mp) REVERT: B 625 LEU cc_start: 0.6147 (OUTLIER) cc_final: 0.5360 (tp) REVERT: B 629 ARG cc_start: 0.8567 (OUTLIER) cc_final: 0.6596 (mmt90) REVERT: B 663 TYR cc_start: 0.4138 (OUTLIER) cc_final: 0.1348 (t80) REVERT: B 710 ASP cc_start: 0.8236 (OUTLIER) cc_final: 0.7962 (p0) REVERT: B 714 TYR cc_start: 0.6842 (OUTLIER) cc_final: 0.6132 (m-80) REVERT: B 768 PHE cc_start: 0.6648 (OUTLIER) cc_final: 0.5472 (m-80) REVERT: B 788 LYS cc_start: 0.5859 (OUTLIER) cc_final: 0.5500 (mtmt) REVERT: B 800 PHE cc_start: 0.6652 (OUTLIER) cc_final: 0.5528 (m-10) REVERT: B 801 LYS cc_start: 0.7841 (OUTLIER) cc_final: 0.6749 (mmtt) REVERT: B 802 PHE cc_start: 0.6539 (OUTLIER) cc_final: 0.5676 (m-80) REVERT: B 831 ARG cc_start: 0.7805 (OUTLIER) cc_final: 0.7352 (ptp-110) REVERT: B 933 LEU cc_start: 0.4132 (OUTLIER) cc_final: 0.3832 (pp) REVERT: B 1106 ARG cc_start: 0.8279 (OUTLIER) cc_final: 0.7903 (mmt-90) REVERT: B 1127 HIS cc_start: 0.6743 (OUTLIER) cc_final: 0.5984 (t70) REVERT: B 1131 ARG cc_start: 0.7470 (OUTLIER) cc_final: 0.7239 (ptt180) REVERT: B 1137 GLU cc_start: 0.7905 (OUTLIER) cc_final: 0.7366 (mm-30) REVERT: B 1198 GLN cc_start: 0.7611 (OUTLIER) cc_final: 0.7300 (mp10) REVERT: B 1219 LEU cc_start: 0.7985 (OUTLIER) cc_final: 0.7359 (mm) REVERT: B 1259 ARG cc_start: 0.8551 (OUTLIER) cc_final: 0.7519 (mtt90) REVERT: B 1271 ARG cc_start: 0.7694 (OUTLIER) cc_final: 0.7097 (ttp-110) REVERT: B 1580 PHE cc_start: 0.8613 (OUTLIER) cc_final: 0.6586 (t80) REVERT: B 1583 GLU cc_start: 0.5912 (OUTLIER) cc_final: 0.4270 (mm-30) REVERT: B 1600 LEU cc_start: 0.8897 (OUTLIER) cc_final: 0.7886 (tp) REVERT: B 1657 LEU cc_start: 0.9304 (OUTLIER) cc_final: 0.9027 (mp) REVERT: B 1668 ARG cc_start: 0.9076 (OUTLIER) cc_final: 0.8384 (ttm-80) REVERT: B 1671 ARG cc_start: 0.8645 (OUTLIER) cc_final: 0.8054 (mtm-85) REVERT: B 1700 ASP cc_start: 0.8585 (OUTLIER) cc_final: 0.8201 (m-30) REVERT: B 1720 LEU cc_start: 0.9056 (OUTLIER) cc_final: 0.8338 (mp) REVERT: B 1733 GLU cc_start: 0.8261 (OUTLIER) cc_final: 0.7143 (mt-10) REVERT: B 1772 ARG cc_start: 0.8790 (OUTLIER) cc_final: 0.8434 (mtt-85) REVERT: B 1782 PHE cc_start: 0.7483 (OUTLIER) cc_final: 0.7000 (p90) REVERT: B 1815 LEU cc_start: 0.9052 (OUTLIER) cc_final: 0.8312 (mp) REVERT: B 1996 ARG cc_start: 0.6692 (OUTLIER) cc_final: 0.5959 (ptm160) REVERT: B 2039 LEU cc_start: 0.8675 (OUTLIER) cc_final: 0.8268 (mp) REVERT: B 2092 GLN cc_start: 0.7544 (mm-40) cc_final: 0.7277 (mm110) REVERT: B 2161 GLN cc_start: 0.8695 (OUTLIER) cc_final: 0.7802 (tm-30) REVERT: B 2169 GLN cc_start: 0.8768 (OUTLIER) cc_final: 0.8024 (tt0) REVERT: B 2170 MET cc_start: 0.7710 (OUTLIER) cc_final: 0.6806 (tmm) REVERT: B 2197 LEU cc_start: 0.8513 (OUTLIER) cc_final: 0.8187 (mp) REVERT: B 2199 ARG cc_start: 0.8488 (OUTLIER) cc_final: 0.7267 (mtm-85) REVERT: B 2221 LYS cc_start: 0.6506 (OUTLIER) cc_final: 0.6020 (tttt) REVERT: B 2225 PHE cc_start: 0.7858 (OUTLIER) cc_final: 0.7637 (m-80) REVERT: B 2227 LYS cc_start: 0.8658 (OUTLIER) cc_final: 0.8312 (ttmm) REVERT: B 2244 ARG cc_start: 0.8100 (OUTLIER) cc_final: 0.7314 (mtp85) REVERT: B 2295 LEU cc_start: 0.7975 (OUTLIER) cc_final: 0.7582 (mm) REVERT: B 2296 GLU cc_start: 0.8705 (OUTLIER) cc_final: 0.8187 (tp30) REVERT: B 2377 LEU cc_start: 0.5128 (OUTLIER) cc_final: 0.4892 (mm) REVERT: B 2416 VAL cc_start: 0.8103 (OUTLIER) cc_final: 0.7871 (t) REVERT: B 3670 GLU cc_start: 0.8525 (OUTLIER) cc_final: 0.8031 (mp0) REVERT: B 3707 ARG cc_start: 0.8433 (OUTLIER) cc_final: 0.8188 (ttt90) REVERT: B 3758 MET cc_start: 0.7599 (tpp) cc_final: 0.7171 (tpp) REVERT: B 3837 GLN cc_start: 0.9007 (OUTLIER) cc_final: 0.8552 (mt0) REVERT: B 3872 GLU cc_start: 0.7915 (OUTLIER) cc_final: 0.7424 (pm20) REVERT: B 3904 ARG cc_start: 0.9194 (OUTLIER) cc_final: 0.8722 (ttp-110) REVERT: B 3916 ILE cc_start: 0.8817 (OUTLIER) cc_final: 0.8591 (mt) REVERT: B 3924 LEU cc_start: 0.8962 (OUTLIER) cc_final: 0.8594 (tt) REVERT: B 3970 GLN cc_start: 0.8215 (OUTLIER) cc_final: 0.7837 (tt0) REVERT: B 4005 GLN cc_start: 0.6990 (OUTLIER) cc_final: 0.6049 (mt0) REVERT: B 4014 LYS cc_start: 0.6176 (OUTLIER) cc_final: 0.5717 (ptmt) REVERT: B 4087 LEU cc_start: 0.6375 (OUTLIER) cc_final: 0.6095 (tt) REVERT: B 4100 GLN cc_start: 0.5237 (OUTLIER) cc_final: 0.4321 (mm-40) REVERT: B 4110 PHE cc_start: 0.3628 (OUTLIER) cc_final: 0.2931 (m-80) REVERT: B 4125 PHE cc_start: 0.2178 (OUTLIER) cc_final: 0.0982 (p90) REVERT: B 4135 PRO cc_start: 0.7565 (OUTLIER) cc_final: 0.7284 (Cg_endo) REVERT: B 4159 ARG cc_start: 0.8825 (OUTLIER) cc_final: 0.8089 (mtm-85) REVERT: B 4172 GLU cc_start: 0.8255 (OUTLIER) cc_final: 0.7469 (mp0) REVERT: B 4232 GLU cc_start: 0.9024 (OUTLIER) cc_final: 0.8164 (tt0) REVERT: B 4244 GLU cc_start: 0.8925 (OUTLIER) cc_final: 0.8097 (mm-30) REVERT: B 4568 PHE cc_start: 0.8810 (OUTLIER) cc_final: 0.7997 (t80) REVERT: B 4632 LEU cc_start: 0.8804 (OUTLIER) cc_final: 0.8466 (tt) REVERT: B 4700 GLN cc_start: 0.9194 (OUTLIER) cc_final: 0.8973 (mm-40) REVERT: B 4704 LEU cc_start: 0.9453 (OUTLIER) cc_final: 0.9057 (mp) REVERT: B 4718 LYS cc_start: 0.8893 (OUTLIER) cc_final: 0.8592 (mmtm) REVERT: B 4741 LEU cc_start: 0.9230 (OUTLIER) cc_final: 0.8717 (mp) REVERT: B 4796 MET cc_start: 0.8913 (OUTLIER) cc_final: 0.8033 (tpt) REVERT: B 4836 GLN cc_start: 0.9155 (OUTLIER) cc_final: 0.8347 (mt0) REVERT: B 4839 MET cc_start: 0.9235 (mmm) cc_final: 0.8956 (mtp) REVERT: B 4869 GLU cc_start: 0.9159 (OUTLIER) cc_final: 0.8308 (tm-30) REVERT: B 4948 GLU cc_start: 0.8820 (OUTLIER) cc_final: 0.8142 (mp0) REVERT: C 23 GLN cc_start: 0.7240 (OUTLIER) cc_final: 0.7021 (pt0) REVERT: C 32 GLN cc_start: 0.6916 (OUTLIER) cc_final: 0.6124 (mt0) REVERT: C 65 CYS cc_start: 0.8408 (m) cc_final: 0.7923 (t) REVERT: C 115 ARG cc_start: 0.8394 (OUTLIER) cc_final: 0.7523 (mmm-85) REVERT: C 169 LEU cc_start: 0.7066 (OUTLIER) cc_final: 0.6663 (mt) REVERT: C 197 GLN cc_start: 0.8412 (OUTLIER) cc_final: 0.7949 (tt0) REVERT: C 218 HIS cc_start: 0.7317 (OUTLIER) cc_final: 0.6957 (m90) REVERT: C 317 ARG cc_start: 0.7466 (OUTLIER) cc_final: 0.6337 (mmp80) REVERT: C 334 MET cc_start: 0.6955 (OUTLIER) cc_final: 0.5997 (mmp) REVERT: C 346 CYS cc_start: 0.6195 (OUTLIER) cc_final: 0.5546 (p) REVERT: C 392 ARG cc_start: 0.5907 (OUTLIER) cc_final: 0.5485 (ptt-90) REVERT: C 396 GLU cc_start: 0.7077 (OUTLIER) cc_final: 0.6747 (pp20) REVERT: C 484 LEU cc_start: 0.8675 (OUTLIER) cc_final: 0.8431 (tt) REVERT: C 575 LEU cc_start: 0.9011 (OUTLIER) cc_final: 0.8777 (mp) REVERT: C 590 LEU cc_start: 0.9035 (OUTLIER) cc_final: 0.8821 (mt) REVERT: C 625 LEU cc_start: 0.5970 (OUTLIER) cc_final: 0.5185 (tp) REVERT: C 629 ARG cc_start: 0.8559 (OUTLIER) cc_final: 0.6486 (mmt90) REVERT: C 663 TYR cc_start: 0.3958 (OUTLIER) cc_final: 0.1265 (t80) REVERT: C 710 ASP cc_start: 0.8272 (OUTLIER) cc_final: 0.8003 (p0) REVERT: C 788 LYS cc_start: 0.5938 (OUTLIER) cc_final: 0.5606 (mtmt) REVERT: C 800 PHE cc_start: 0.6835 (OUTLIER) cc_final: 0.5724 (m-80) REVERT: C 801 LYS cc_start: 0.7851 (OUTLIER) cc_final: 0.6778 (mmtt) REVERT: C 802 PHE cc_start: 0.6430 (OUTLIER) cc_final: 0.5582 (m-80) REVERT: C 831 ARG cc_start: 0.7803 (OUTLIER) cc_final: 0.7374 (ptp-110) REVERT: C 933 LEU cc_start: 0.4138 (OUTLIER) cc_final: 0.3845 (pp) REVERT: C 961 MET cc_start: 0.4986 (OUTLIER) cc_final: 0.4015 (ptm) REVERT: C 1106 ARG cc_start: 0.8252 (OUTLIER) cc_final: 0.7724 (mmt-90) REVERT: C 1127 HIS cc_start: 0.6798 (OUTLIER) cc_final: 0.6028 (t70) REVERT: C 1131 ARG cc_start: 0.7467 (OUTLIER) cc_final: 0.7245 (ptt180) REVERT: C 1137 GLU cc_start: 0.7898 (OUTLIER) cc_final: 0.7394 (mm-30) REVERT: C 1198 GLN cc_start: 0.7620 (OUTLIER) cc_final: 0.7333 (mp10) REVERT: C 1219 LEU cc_start: 0.7914 (OUTLIER) cc_final: 0.7316 (mm) REVERT: C 1259 ARG cc_start: 0.8566 (OUTLIER) cc_final: 0.7693 (mtt90) REVERT: C 1271 ARG cc_start: 0.7653 (OUTLIER) cc_final: 0.7057 (ttp-110) REVERT: C 1600 LEU cc_start: 0.8896 (OUTLIER) cc_final: 0.7889 (tp) REVERT: C 1657 LEU cc_start: 0.9303 (OUTLIER) cc_final: 0.9025 (mp) REVERT: C 1668 ARG cc_start: 0.9075 (OUTLIER) cc_final: 0.8381 (ttm-80) REVERT: C 1671 ARG cc_start: 0.8648 (OUTLIER) cc_final: 0.8053 (mtm-85) REVERT: C 1700 ASP cc_start: 0.8593 (OUTLIER) cc_final: 0.8204 (m-30) REVERT: C 1720 LEU cc_start: 0.9061 (OUTLIER) cc_final: 0.8345 (mp) REVERT: C 1733 GLU cc_start: 0.8250 (OUTLIER) cc_final: 0.7141 (mt-10) REVERT: C 1772 ARG cc_start: 0.8793 (OUTLIER) cc_final: 0.8457 (mtt-85) REVERT: C 1782 PHE cc_start: 0.7258 (OUTLIER) cc_final: 0.6837 (p90) REVERT: C 1815 LEU cc_start: 0.9054 (OUTLIER) cc_final: 0.8316 (mp) REVERT: C 1930 LYS cc_start: 0.8694 (OUTLIER) cc_final: 0.8188 (ttpp) REVERT: C 2039 LEU cc_start: 0.8666 (OUTLIER) cc_final: 0.8276 (mp) REVERT: C 2092 GLN cc_start: 0.7606 (mm-40) cc_final: 0.7362 (mm110) REVERT: C 2161 GLN cc_start: 0.8697 (OUTLIER) cc_final: 0.7805 (tm-30) REVERT: C 2169 GLN cc_start: 0.8774 (OUTLIER) cc_final: 0.8035 (tt0) REVERT: C 2170 MET cc_start: 0.7717 (OUTLIER) cc_final: 0.6830 (tmm) REVERT: C 2197 LEU cc_start: 0.8514 (OUTLIER) cc_final: 0.8190 (mp) REVERT: C 2199 ARG cc_start: 0.8488 (OUTLIER) cc_final: 0.7265 (mtm-85) REVERT: C 2221 LYS cc_start: 0.6597 (OUTLIER) cc_final: 0.6112 (tttt) REVERT: C 2227 LYS cc_start: 0.8638 (OUTLIER) cc_final: 0.8308 (ttmm) REVERT: C 2244 ARG cc_start: 0.8093 (OUTLIER) cc_final: 0.7330 (mtp85) REVERT: C 2295 LEU cc_start: 0.7922 (OUTLIER) cc_final: 0.7565 (mm) REVERT: C 2296 GLU cc_start: 0.8809 (OUTLIER) cc_final: 0.8340 (tp30) REVERT: C 2377 LEU cc_start: 0.5296 (OUTLIER) cc_final: 0.5081 (mm) REVERT: C 2416 VAL cc_start: 0.8099 (OUTLIER) cc_final: 0.7868 (t) REVERT: C 3670 GLU cc_start: 0.8542 (OUTLIER) cc_final: 0.8059 (mp0) REVERT: C 3679 LYS cc_start: 0.8171 (OUTLIER) cc_final: 0.7944 (mtmt) REVERT: C 3707 ARG cc_start: 0.8446 (OUTLIER) cc_final: 0.7651 (ptt90) REVERT: C 3758 MET cc_start: 0.7611 (tpp) cc_final: 0.7190 (tpp) REVERT: C 3837 GLN cc_start: 0.9011 (OUTLIER) cc_final: 0.8556 (mt0) REVERT: C 3873 LYS cc_start: 0.8220 (OUTLIER) cc_final: 0.7499 (tppt) REVERT: C 3904 ARG cc_start: 0.9184 (OUTLIER) cc_final: 0.8728 (ttp-110) REVERT: C 3916 ILE cc_start: 0.8818 (OUTLIER) cc_final: 0.8593 (mt) REVERT: C 3924 LEU cc_start: 0.8955 (OUTLIER) cc_final: 0.8590 (tt) REVERT: C 3970 GLN cc_start: 0.8224 (OUTLIER) cc_final: 0.7880 (tt0) REVERT: C 4005 GLN cc_start: 0.6984 (OUTLIER) cc_final: 0.6156 (mt0) REVERT: C 4014 LYS cc_start: 0.6115 (OUTLIER) cc_final: 0.5695 (ptmt) REVERT: C 4100 GLN cc_start: 0.5307 (OUTLIER) cc_final: 0.4409 (mm-40) REVERT: C 4110 PHE cc_start: 0.3554 (OUTLIER) cc_final: 0.2855 (m-80) REVERT: C 4125 PHE cc_start: 0.2149 (OUTLIER) cc_final: 0.0938 (p90) REVERT: C 4135 PRO cc_start: 0.7521 (OUTLIER) cc_final: 0.7245 (Cg_endo) REVERT: C 4159 ARG cc_start: 0.8827 (OUTLIER) cc_final: 0.8094 (mtm-85) REVERT: C 4172 GLU cc_start: 0.8279 (OUTLIER) cc_final: 0.7487 (mp0) REVERT: C 4202 ARG cc_start: 0.8409 (OUTLIER) cc_final: 0.6798 (tpp80) REVERT: C 4232 GLU cc_start: 0.9037 (OUTLIER) cc_final: 0.8177 (tt0) REVERT: C 4244 GLU cc_start: 0.8918 (OUTLIER) cc_final: 0.8090 (mm-30) REVERT: C 4568 PHE cc_start: 0.8816 (OUTLIER) cc_final: 0.8000 (t80) REVERT: C 4632 LEU cc_start: 0.8802 (OUTLIER) cc_final: 0.8470 (tt) REVERT: C 4704 LEU cc_start: 0.9456 (OUTLIER) cc_final: 0.9060 (mp) REVERT: C 4718 LYS cc_start: 0.8897 (OUTLIER) cc_final: 0.8596 (mmtm) REVERT: C 4741 LEU cc_start: 0.9236 (OUTLIER) cc_final: 0.8762 (mp) REVERT: C 4836 GLN cc_start: 0.9156 (OUTLIER) cc_final: 0.8364 (mt0) REVERT: C 4839 MET cc_start: 0.9217 (mmm) cc_final: 0.8950 (mtp) REVERT: C 4869 GLU cc_start: 0.9182 (OUTLIER) cc_final: 0.8341 (tm-30) REVERT: C 4948 GLU cc_start: 0.8807 (OUTLIER) cc_final: 0.8108 (mp0) REVERT: D 65 CYS cc_start: 0.8368 (m) cc_final: 0.7908 (t) REVERT: D 169 LEU cc_start: 0.7069 (OUTLIER) cc_final: 0.6682 (mt) REVERT: D 189 LEU cc_start: 0.8343 (OUTLIER) cc_final: 0.8037 (mt) REVERT: D 197 GLN cc_start: 0.8410 (OUTLIER) cc_final: 0.7943 (tt0) REVERT: D 218 HIS cc_start: 0.7448 (OUTLIER) cc_final: 0.7040 (m90) REVERT: D 317 ARG cc_start: 0.7480 (OUTLIER) cc_final: 0.6327 (mmp80) REVERT: D 334 MET cc_start: 0.6943 (OUTLIER) cc_final: 0.5987 (mmp) REVERT: D 346 CYS cc_start: 0.6233 (OUTLIER) cc_final: 0.5298 (p) REVERT: D 392 ARG cc_start: 0.5894 (OUTLIER) cc_final: 0.5407 (ptt-90) REVERT: D 396 GLU cc_start: 0.7475 (OUTLIER) cc_final: 0.7069 (pp20) REVERT: D 481 GLU cc_start: 0.7988 (OUTLIER) cc_final: 0.7323 (mp0) REVERT: D 510 GLU cc_start: 0.6623 (OUTLIER) cc_final: 0.6037 (mm-30) REVERT: D 513 GLU cc_start: 0.8388 (mp0) cc_final: 0.8105 (mp0) REVERT: D 521 LEU cc_start: 0.8805 (OUTLIER) cc_final: 0.8053 (mp) REVERT: D 575 LEU cc_start: 0.9007 (OUTLIER) cc_final: 0.8780 (mp) REVERT: D 625 LEU cc_start: 0.6174 (OUTLIER) cc_final: 0.5437 (tp) REVERT: D 629 ARG cc_start: 0.8563 (OUTLIER) cc_final: 0.6414 (mmt90) REVERT: D 645 ARG cc_start: 0.7130 (OUTLIER) cc_final: 0.6756 (ptm160) REVERT: D 662 TRP cc_start: 0.5472 (m100) cc_final: 0.4886 (m100) REVERT: D 710 ASP cc_start: 0.8295 (OUTLIER) cc_final: 0.8005 (p0) REVERT: D 757 PHE cc_start: 0.7510 (OUTLIER) cc_final: 0.7149 (m-80) REVERT: D 788 LYS cc_start: 0.5859 (OUTLIER) cc_final: 0.5500 (mtmt) REVERT: D 800 PHE cc_start: 0.6386 (OUTLIER) cc_final: 0.5389 (m-80) REVERT: D 801 LYS cc_start: 0.6691 (OUTLIER) cc_final: 0.6366 (mmtt) REVERT: D 822 ARG cc_start: 0.6727 (OUTLIER) cc_final: 0.5452 (ptt-90) REVERT: D 831 ARG cc_start: 0.7776 (OUTLIER) cc_final: 0.7493 (ptp-110) REVERT: D 961 MET cc_start: 0.4721 (OUTLIER) cc_final: 0.4293 (ptt) REVERT: D 1106 ARG cc_start: 0.8283 (OUTLIER) cc_final: 0.7939 (mmt-90) REVERT: D 1127 HIS cc_start: 0.6772 (OUTLIER) cc_final: 0.5846 (t70) REVERT: D 1131 ARG cc_start: 0.7324 (OUTLIER) cc_final: 0.6851 (ptt180) REVERT: D 1137 GLU cc_start: 0.7955 (OUTLIER) cc_final: 0.7459 (mm-30) REVERT: D 1152 MET cc_start: 0.7309 (OUTLIER) cc_final: 0.7056 (mmm) REVERT: D 1198 GLN cc_start: 0.7621 (OUTLIER) cc_final: 0.7337 (mp10) REVERT: D 1259 ARG cc_start: 0.8563 (OUTLIER) cc_final: 0.7788 (mtt90) REVERT: D 1271 ARG cc_start: 0.7624 (OUTLIER) cc_final: 0.7032 (ttp-110) REVERT: D 1580 PHE cc_start: 0.8510 (OUTLIER) cc_final: 0.6400 (t80) REVERT: D 1600 LEU cc_start: 0.8899 (OUTLIER) cc_final: 0.7879 (tp) REVERT: D 1671 ARG cc_start: 0.8640 (OUTLIER) cc_final: 0.8044 (mtm-85) REVERT: D 1700 ASP cc_start: 0.8646 (OUTLIER) cc_final: 0.8262 (m-30) REVERT: D 1720 LEU cc_start: 0.9059 (OUTLIER) cc_final: 0.8347 (mp) REVERT: D 1733 GLU cc_start: 0.8251 (OUTLIER) cc_final: 0.7140 (mt-10) REVERT: D 1771 LEU cc_start: 0.9197 (OUTLIER) cc_final: 0.8972 (mp) REVERT: D 1772 ARG cc_start: 0.8786 (OUTLIER) cc_final: 0.8475 (mtt-85) REVERT: D 1782 PHE cc_start: 0.7098 (OUTLIER) cc_final: 0.6625 (p90) REVERT: D 1815 LEU cc_start: 0.9029 (OUTLIER) cc_final: 0.8329 (mp) REVERT: D 1930 LYS cc_start: 0.8674 (OUTLIER) cc_final: 0.8112 (ttpp) REVERT: D 2039 LEU cc_start: 0.8679 (OUTLIER) cc_final: 0.8259 (mp) REVERT: D 2092 GLN cc_start: 0.7590 (mm-40) cc_final: 0.7349 (mm-40) REVERT: D 2161 GLN cc_start: 0.8699 (OUTLIER) cc_final: 0.7811 (tm-30) REVERT: D 2169 GLN cc_start: 0.8784 (OUTLIER) cc_final: 0.8043 (tt0) REVERT: D 2170 MET cc_start: 0.7729 (OUTLIER) cc_final: 0.6836 (tmm) REVERT: D 2173 GLN cc_start: 0.7954 (OUTLIER) cc_final: 0.7734 (tt0) REVERT: D 2197 LEU cc_start: 0.8495 (OUTLIER) cc_final: 0.8169 (mp) REVERT: D 2199 ARG cc_start: 0.8476 (OUTLIER) cc_final: 0.7248 (mtm-85) REVERT: D 2221 LYS cc_start: 0.6488 (OUTLIER) cc_final: 0.6003 (tttt) REVERT: D 2227 LYS cc_start: 0.8649 (OUTLIER) cc_final: 0.8303 (ttmm) REVERT: D 2244 ARG cc_start: 0.8103 (OUTLIER) cc_final: 0.7360 (mtp85) REVERT: D 2295 LEU cc_start: 0.7938 (OUTLIER) cc_final: 0.7580 (mm) REVERT: D 2296 GLU cc_start: 0.8803 (OUTLIER) cc_final: 0.8332 (tp30) REVERT: D 2377 LEU cc_start: 0.5389 (OUTLIER) cc_final: 0.5167 (mm) REVERT: D 2416 VAL cc_start: 0.8099 (OUTLIER) cc_final: 0.7869 (t) REVERT: D 3670 GLU cc_start: 0.8515 (OUTLIER) cc_final: 0.8111 (mp0) REVERT: D 3694 LYS cc_start: 0.8498 (OUTLIER) cc_final: 0.8030 (ptmm) REVERT: D 3757 GLU cc_start: 0.7274 (OUTLIER) cc_final: 0.6168 (mm-30) REVERT: D 3758 MET cc_start: 0.7612 (tpp) cc_final: 0.7180 (tpp) REVERT: D 3787 LYS cc_start: 0.9188 (OUTLIER) cc_final: 0.8610 (mttp) REVERT: D 3837 GLN cc_start: 0.9057 (OUTLIER) cc_final: 0.8644 (mt0) REVERT: D 3852 LYS cc_start: 0.7557 (OUTLIER) cc_final: 0.7331 (mttt) REVERT: D 3872 GLU cc_start: 0.7705 (OUTLIER) cc_final: 0.7260 (pm20) REVERT: D 3904 ARG cc_start: 0.9188 (OUTLIER) cc_final: 0.8732 (ttp-110) REVERT: D 3916 ILE cc_start: 0.8823 (OUTLIER) cc_final: 0.8599 (mt) REVERT: D 3924 LEU cc_start: 0.8965 (OUTLIER) cc_final: 0.8602 (tt) REVERT: D 3970 GLN cc_start: 0.8233 (OUTLIER) cc_final: 0.7836 (tt0) REVERT: D 4005 GLN cc_start: 0.6983 (OUTLIER) cc_final: 0.6038 (mp10) REVERT: D 4014 LYS cc_start: 0.6164 (OUTLIER) cc_final: 0.5710 (ptmt) REVERT: D 4069 LYS cc_start: 0.5322 (OUTLIER) cc_final: 0.5117 (tptm) REVERT: D 4100 GLN cc_start: 0.5392 (OUTLIER) cc_final: 0.4515 (mm-40) REVERT: D 4110 PHE cc_start: 0.3542 (OUTLIER) cc_final: 0.2850 (m-80) REVERT: D 4125 PHE cc_start: 0.2229 (OUTLIER) cc_final: 0.1287 (p90) REVERT: D 4135 PRO cc_start: 0.7548 (OUTLIER) cc_final: 0.7274 (Cg_endo) REVERT: D 4159 ARG cc_start: 0.8830 (OUTLIER) cc_final: 0.8121 (mtm-85) REVERT: D 4172 GLU cc_start: 0.8284 (OUTLIER) cc_final: 0.7548 (mp0) REVERT: D 4232 GLU cc_start: 0.9026 (OUTLIER) cc_final: 0.8164 (tt0) REVERT: D 4244 GLU cc_start: 0.8912 (OUTLIER) cc_final: 0.8052 (mm-30) REVERT: D 4632 LEU cc_start: 0.8800 (OUTLIER) cc_final: 0.8463 (tt) REVERT: D 4704 LEU cc_start: 0.9457 (OUTLIER) cc_final: 0.9053 (mp) REVERT: D 4718 LYS cc_start: 0.8907 (OUTLIER) cc_final: 0.8596 (mmtm) REVERT: D 4741 LEU cc_start: 0.9244 (OUTLIER) cc_final: 0.8765 (mp) REVERT: D 4836 GLN cc_start: 0.9153 (OUTLIER) cc_final: 0.8356 (mt0) REVERT: D 4839 MET cc_start: 0.9214 (mmm) cc_final: 0.8958 (mtp) REVERT: D 4869 GLU cc_start: 0.9162 (OUTLIER) cc_final: 0.8365 (tm-30) REVERT: D 4874 MET cc_start: 0.9331 (OUTLIER) cc_final: 0.8271 (mmm) REVERT: D 4948 GLU cc_start: 0.8809 (OUTLIER) cc_final: 0.8136 (mp0) REVERT: D 4952 GLU cc_start: 0.8430 (OUTLIER) cc_final: 0.7242 (tm-30) outliers start: 2331 outliers final: 1736 residues processed: 2948 average time/residue: 0.8630 time to fit residues: 4511.2036 Evaluate side-chains 2933 residues out of total 10876 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2088 poor density : 845 time to evaluate : 8.692 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 13 PHE Chi-restraints excluded: chain A residue 18 ASP Chi-restraints excluded: chain A residue 24 CYS Chi-restraints excluded: chain A residue 25 SER 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 47 CYS Chi-restraints excluded: chain A residue 54 ASN Chi-restraints excluded: chain A residue 58 VAL Chi-restraints excluded: chain A residue 66 CYS Chi-restraints excluded: chain A residue 75 VAL Chi-restraints excluded: chain A residue 78 LEU Chi-restraints excluded: chain A residue 82 LEU Chi-restraints excluded: chain A residue 99 ARG Chi-restraints excluded: chain A residue 109 LEU Chi-restraints excluded: chain A residue 115 ARG Chi-restraints excluded: chain A residue 119 SER Chi-restraints excluded: chain A residue 120 CYS Chi-restraints excluded: chain A residue 125 ARG Chi-restraints excluded: chain A residue 128 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 146 CYS Chi-restraints excluded: chain A residue 149 THR Chi-restraints excluded: chain A residue 156 GLN Chi-restraints excluded: chain A residue 167 ASP Chi-restraints excluded: chain A residue 169 LEU Chi-restraints excluded: chain A residue 184 THR Chi-restraints excluded: chain A residue 188 GLU Chi-restraints excluded: chain A residue 189 LEU Chi-restraints excluded: chain A residue 190 GLN Chi-restraints excluded: chain A residue 197 GLN Chi-restraints excluded: chain A residue 203 ASN Chi-restraints excluded: chain A residue 205 ILE Chi-restraints excluded: chain A residue 210 GLU Chi-restraints excluded: chain A residue 214 VAL Chi-restraints excluded: chain A residue 215 THR Chi-restraints excluded: chain A residue 218 HIS Chi-restraints excluded: chain A residue 220 LEU Chi-restraints excluded: chain A residue 232 THR Chi-restraints excluded: chain A residue 237 ASP Chi-restraints excluded: chain A residue 253 CYS Chi-restraints excluded: chain A residue 255 HIS Chi-restraints excluded: chain A residue 257 ARG Chi-restraints excluded: chain A residue 258 SER Chi-restraints excluded: chain A residue 264 PRO Chi-restraints excluded: chain A residue 266 ARG Chi-restraints excluded: chain A residue 268 SER Chi-restraints excluded: chain A residue 272 SER Chi-restraints excluded: chain A residue 276 TRP Chi-restraints excluded: chain A residue 281 ARG Chi-restraints excluded: chain A residue 286 THR Chi-restraints excluded: chain A residue 290 TYR Chi-restraints excluded: chain A residue 291 LEU Chi-restraints excluded: chain A residue 301 VAL Chi-restraints excluded: chain A residue 303 ASP Chi-restraints excluded: chain A residue 305 CYS Chi-restraints excluded: chain A residue 309 THR Chi-restraints excluded: chain A residue 312 THR Chi-restraints excluded: chain A residue 313 SER Chi-restraints excluded: chain A residue 315 CYS Chi-restraints excluded: chain A residue 317 ARG Chi-restraints excluded: chain A residue 318 VAL Chi-restraints excluded: chain A residue 319 SER Chi-restraints excluded: chain A residue 320 LYS Chi-restraints excluded: chain A residue 321 GLU Chi-restraints excluded: chain A residue 322 LYS Chi-restraints excluded: chain A residue 334 MET Chi-restraints excluded: chain A residue 339 ILE Chi-restraints excluded: chain A residue 346 CYS Chi-restraints excluded: chain A residue 348 VAL Chi-restraints excluded: chain A residue 353 SER Chi-restraints excluded: chain A residue 358 THR Chi-restraints excluded: chain A residue 359 TYR Chi-restraints excluded: chain A residue 363 ASP Chi-restraints excluded: chain A residue 377 ILE Chi-restraints excluded: chain A residue 386 ASP Chi-restraints excluded: chain A residue 389 PHE Chi-restraints excluded: chain A residue 392 ARG Chi-restraints excluded: chain A residue 397 GLU Chi-restraints excluded: chain A residue 404 ILE Chi-restraints excluded: chain A residue 405 HIS Chi-restraints excluded: chain A residue 407 THR Chi-restraints excluded: chain A residue 413 GLN Chi-restraints excluded: chain A residue 420 SER Chi-restraints excluded: chain A residue 441 VAL Chi-restraints excluded: chain A residue 442 ILE Chi-restraints excluded: chain A residue 447 ASP Chi-restraints excluded: chain A residue 448 LEU Chi-restraints excluded: chain A residue 456 SER Chi-restraints excluded: chain A residue 470 SER Chi-restraints excluded: chain A residue 473 ASN Chi-restraints excluded: chain A residue 479 GLN Chi-restraints excluded: chain A residue 481 GLU Chi-restraints excluded: chain A residue 487 VAL Chi-restraints excluded: chain A residue 494 LEU Chi-restraints excluded: chain A residue 495 ASN Chi-restraints excluded: chain A residue 496 VAL Chi-restraints excluded: chain A residue 505 GLU Chi-restraints excluded: chain A residue 510 GLU Chi-restraints excluded: chain A residue 521 LEU Chi-restraints excluded: chain A residue 528 SER 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 540 PHE Chi-restraints excluded: chain A residue 545 ASP Chi-restraints excluded: chain A residue 549 SER Chi-restraints excluded: chain A residue 560 ILE Chi-restraints excluded: chain A residue 569 ILE Chi-restraints excluded: chain A residue 575 LEU Chi-restraints excluded: chain A residue 577 ILE Chi-restraints excluded: chain A residue 578 ILE Chi-restraints excluded: chain A residue 580 GLU Chi-restraints excluded: chain A residue 587 ILE Chi-restraints excluded: chain A residue 612 VAL Chi-restraints excluded: chain A residue 621 ILE Chi-restraints excluded: chain A residue 625 LEU Chi-restraints excluded: chain A residue 629 ARG Chi-restraints excluded: chain A residue 637 LEU Chi-restraints excluded: chain A residue 652 ARG Chi-restraints excluded: chain A residue 657 THR Chi-restraints excluded: chain A residue 659 TYR Chi-restraints excluded: chain A residue 663 TYR Chi-restraints excluded: chain A residue 666 VAL Chi-restraints excluded: chain A residue 667 MET Chi-restraints excluded: chain A residue 672 VAL Chi-restraints excluded: chain A residue 675 LEU 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 707 VAL Chi-restraints excluded: chain A residue 709 ASP Chi-restraints excluded: chain A residue 710 ASP Chi-restraints excluded: chain A residue 721 LEU Chi-restraints excluded: chain A residue 723 THR Chi-restraints excluded: chain A residue 735 GLN Chi-restraints excluded: chain A residue 751 SER Chi-restraints excluded: chain A residue 752 VAL Chi-restraints excluded: chain A residue 755 ILE Chi-restraints excluded: chain A residue 756 SER Chi-restraints excluded: chain A residue 758 ARG Chi-restraints excluded: chain A residue 760 ASN Chi-restraints excluded: chain A residue 768 PHE Chi-restraints excluded: chain A residue 773 LEU Chi-restraints excluded: chain A residue 778 PHE Chi-restraints excluded: chain A residue 781 VAL Chi-restraints excluded: chain A residue 800 PHE Chi-restraints excluded: chain A residue 801 LYS Chi-restraints excluded: chain A residue 802 PHE Chi-restraints excluded: chain A residue 823 LEU Chi-restraints excluded: chain A residue 826 ILE Chi-restraints excluded: chain A residue 831 ARG Chi-restraints excluded: chain A residue 840 VAL Chi-restraints excluded: chain A residue 921 ASN Chi-restraints excluded: chain A residue 922 LEU Chi-restraints excluded: chain A residue 925 SER Chi-restraints excluded: chain A residue 932 LEU Chi-restraints excluded: chain A residue 933 LEU Chi-restraints excluded: chain A residue 961 MET Chi-restraints excluded: chain A residue 974 HIS Chi-restraints excluded: chain A residue 978 THR Chi-restraints excluded: chain A residue 1029 GLU Chi-restraints excluded: chain A residue 1043 VAL Chi-restraints excluded: chain A residue 1072 VAL Chi-restraints excluded: chain A residue 1074 ILE Chi-restraints excluded: chain A residue 1085 SER 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 1106 ARG Chi-restraints excluded: chain A residue 1113 VAL Chi-restraints excluded: chain A residue 1114 GLU Chi-restraints excluded: chain A residue 1123 VAL Chi-restraints excluded: chain A residue 1127 HIS Chi-restraints excluded: chain A residue 1137 GLU Chi-restraints excluded: chain A residue 1141 ARG Chi-restraints excluded: chain A residue 1143 TRP Chi-restraints excluded: chain A residue 1145 SER Chi-restraints excluded: chain A residue 1147 ASP Chi-restraints excluded: chain A residue 1151 CYS Chi-restraints excluded: chain A residue 1153 ILE Chi-restraints excluded: chain A residue 1154 ASP Chi-restraints excluded: chain A residue 1155 LEU Chi-restraints excluded: chain A residue 1163 THR Chi-restraints excluded: chain A residue 1164 LEU Chi-restraints excluded: chain A residue 1168 VAL Chi-restraints excluded: chain A residue 1171 SER Chi-restraints excluded: chain A residue 1173 SER Chi-restraints excluded: chain A residue 1190 PRO Chi-restraints excluded: chain A residue 1192 CYS Chi-restraints excluded: chain A residue 1193 SER Chi-restraints excluded: chain A residue 1198 GLN Chi-restraints excluded: chain A residue 1202 LEU Chi-restraints excluded: chain A residue 1204 LEU Chi-restraints excluded: chain A residue 1208 VAL Chi-restraints excluded: chain A residue 1216 ILE Chi-restraints excluded: chain A residue 1219 LEU Chi-restraints excluded: chain A residue 1234 VAL Chi-restraints excluded: chain A residue 1238 PHE Chi-restraints excluded: chain A residue 1241 SER 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 1259 ARG Chi-restraints excluded: chain A residue 1269 CYS Chi-restraints excluded: chain A residue 1271 ARG Chi-restraints excluded: chain A residue 1282 SER Chi-restraints excluded: chain A residue 1283 LEU Chi-restraints excluded: chain A residue 1287 LEU Chi-restraints excluded: chain A residue 1293 LEU Chi-restraints excluded: chain A residue 1431 THR Chi-restraints excluded: chain A residue 1437 VAL Chi-restraints excluded: chain A residue 1439 VAL Chi-restraints excluded: chain A residue 1444 GLU Chi-restraints excluded: chain A residue 1453 VAL Chi-restraints excluded: chain A residue 1457 TYR Chi-restraints excluded: chain A residue 1460 HIS Chi-restraints excluded: chain A residue 1462 MET Chi-restraints excluded: chain A residue 1469 VAL Chi-restraints excluded: chain A residue 1483 VAL Chi-restraints excluded: chain A residue 1485 SER Chi-restraints excluded: chain A residue 1486 SER Chi-restraints excluded: chain A residue 1576 SER Chi-restraints excluded: chain A residue 1580 PHE Chi-restraints excluded: chain A residue 1595 LEU Chi-restraints excluded: chain A residue 1597 VAL Chi-restraints excluded: chain A residue 1599 MET Chi-restraints excluded: chain A residue 1600 LEU Chi-restraints excluded: chain A residue 1603 VAL Chi-restraints excluded: chain A residue 1607 ARG Chi-restraints excluded: chain A residue 1610 ASN Chi-restraints excluded: chain A residue 1632 ASP Chi-restraints excluded: chain A residue 1634 LEU Chi-restraints excluded: chain A residue 1636 MET Chi-restraints excluded: chain A residue 1641 ILE Chi-restraints excluded: chain A residue 1642 PRO Chi-restraints excluded: chain A residue 1647 CYS 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 1671 ARG Chi-restraints excluded: chain A residue 1673 VAL Chi-restraints excluded: chain A residue 1679 ASN Chi-restraints excluded: chain A residue 1685 LEU Chi-restraints excluded: chain A residue 1687 SER Chi-restraints excluded: chain A residue 1698 LEU Chi-restraints excluded: chain A residue 1699 GLU Chi-restraints excluded: chain A residue 1700 ASP Chi-restraints excluded: chain A residue 1704 PRO Chi-restraints excluded: chain A residue 1706 PRO Chi-restraints excluded: chain A residue 1717 SER Chi-restraints excluded: chain A residue 1720 LEU Chi-restraints excluded: chain A residue 1733 GLU Chi-restraints excluded: chain A residue 1736 VAL Chi-restraints excluded: chain A residue 1738 LEU Chi-restraints excluded: chain A residue 1739 THR Chi-restraints excluded: chain A residue 1760 HIS Chi-restraints excluded: chain A residue 1770 SER Chi-restraints excluded: chain A residue 1771 LEU Chi-restraints excluded: chain A residue 1772 ARG Chi-restraints excluded: chain A residue 1778 SER Chi-restraints excluded: chain A residue 1802 ILE Chi-restraints excluded: chain A residue 1812 LEU Chi-restraints excluded: chain A residue 1815 LEU Chi-restraints excluded: chain A residue 1830 VAL Chi-restraints excluded: chain A residue 1834 VAL Chi-restraints excluded: chain A residue 1835 GLU Chi-restraints excluded: chain A residue 1837 GLN Chi-restraints excluded: chain A residue 1849 LEU Chi-restraints excluded: chain A residue 1857 GLU Chi-restraints excluded: chain A residue 1858 ASP Chi-restraints excluded: chain A residue 1869 GLU Chi-restraints excluded: chain A residue 1872 THR Chi-restraints excluded: chain A residue 1873 GLU Chi-restraints excluded: chain A residue 1929 MET Chi-restraints excluded: chain A residue 1934 SER Chi-restraints excluded: chain A residue 1955 VAL Chi-restraints excluded: chain A residue 1961 PHE Chi-restraints excluded: chain A residue 1966 VAL Chi-restraints excluded: chain A residue 1969 LEU Chi-restraints excluded: chain A residue 1981 MET Chi-restraints excluded: chain A residue 1987 SER Chi-restraints excluded: chain A residue 1996 ARG Chi-restraints excluded: chain A residue 2020 ASP Chi-restraints excluded: chain A residue 2027 ILE Chi-restraints excluded: chain A residue 2037 ASP Chi-restraints excluded: chain A residue 2039 LEU Chi-restraints excluded: chain A residue 2093 SER Chi-restraints excluded: chain A residue 2094 LEU Chi-restraints excluded: chain A residue 2095 GLN Chi-restraints excluded: chain A residue 2097 LEU Chi-restraints excluded: chain A residue 2098 VAL Chi-restraints excluded: chain A residue 2111 VAL Chi-restraints excluded: chain A residue 2120 MET Chi-restraints excluded: chain A residue 2122 SER Chi-restraints excluded: chain A residue 2136 ARG 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 2156 LEU Chi-restraints excluded: chain A residue 2161 GLN Chi-restraints excluded: chain A residue 2166 LEU Chi-restraints excluded: chain A residue 2167 ILE Chi-restraints excluded: chain A residue 2169 GLN Chi-restraints excluded: chain A residue 2170 MET Chi-restraints excluded: chain A residue 2175 GLU Chi-restraints excluded: chain A residue 2186 MET Chi-restraints excluded: chain A residue 2187 ASN Chi-restraints excluded: chain A residue 2197 LEU Chi-restraints excluded: chain A residue 2199 ARG Chi-restraints excluded: chain A residue 2221 LYS Chi-restraints excluded: chain A residue 2225 PHE Chi-restraints excluded: chain A residue 2227 LYS Chi-restraints excluded: chain A residue 2228 MET Chi-restraints excluded: chain A residue 2229 VAL Chi-restraints excluded: chain A residue 2230 THR Chi-restraints excluded: chain A residue 2231 SER Chi-restraints excluded: chain A residue 2238 TYR Chi-restraints excluded: chain A residue 2241 ARG Chi-restraints excluded: chain A residue 2242 ILE Chi-restraints excluded: chain A residue 2244 ARG Chi-restraints excluded: chain A residue 2249 SER Chi-restraints excluded: chain A residue 2252 ASP Chi-restraints excluded: chain A residue 2259 GLU Chi-restraints excluded: chain A residue 2270 SER Chi-restraints excluded: chain A residue 2274 ASP Chi-restraints excluded: chain A residue 2275 VAL Chi-restraints excluded: chain A residue 2280 VAL Chi-restraints excluded: chain A residue 2281 ILE Chi-restraints excluded: chain A residue 2284 ASN Chi-restraints excluded: chain A residue 2290 LEU Chi-restraints excluded: chain A residue 2293 GLN Chi-restraints excluded: chain A residue 2294 ASP Chi-restraints excluded: chain A residue 2295 LEU Chi-restraints excluded: chain A residue 2296 GLU Chi-restraints excluded: chain A residue 2299 VAL Chi-restraints excluded: chain A residue 2300 SER Chi-restraints excluded: chain A residue 2309 SER Chi-restraints excluded: chain A residue 2312 MET Chi-restraints excluded: chain A residue 2314 LEU Chi-restraints excluded: chain A residue 2324 ASN Chi-restraints excluded: chain A residue 2333 ASP Chi-restraints excluded: chain A residue 2336 ARG Chi-restraints excluded: chain A residue 2341 VAL Chi-restraints excluded: chain A residue 2345 SER Chi-restraints excluded: chain A residue 2346 VAL Chi-restraints excluded: chain A residue 2352 VAL Chi-restraints excluded: chain A residue 2353 VAL Chi-restraints excluded: chain A residue 2368 LEU Chi-restraints excluded: chain A residue 2371 GLU Chi-restraints excluded: chain A residue 2387 SER Chi-restraints excluded: chain A residue 2416 VAL Chi-restraints excluded: chain A residue 2423 MET Chi-restraints excluded: chain A residue 2430 ILE Chi-restraints excluded: chain A residue 2442 LEU Chi-restraints excluded: chain A residue 2454 ARG Chi-restraints excluded: chain A residue 2460 LEU Chi-restraints excluded: chain A residue 2461 VAL Chi-restraints excluded: chain A residue 2479 LEU Chi-restraints excluded: chain A residue 3644 LEU Chi-restraints excluded: chain A residue 3652 MET Chi-restraints excluded: chain A residue 3656 SER Chi-restraints excluded: chain A residue 3661 TRP Chi-restraints excluded: chain A residue 3662 ILE Chi-restraints excluded: chain A residue 3663 LEU Chi-restraints excluded: chain A residue 3669 PHE Chi-restraints excluded: chain A residue 3670 GLU Chi-restraints excluded: chain A residue 3678 SER Chi-restraints excluded: chain A residue 3682 GLU Chi-restraints excluded: chain A residue 3694 LYS Chi-restraints excluded: chain A residue 3696 ASP Chi-restraints excluded: chain A residue 3707 ARG Chi-restraints excluded: chain A residue 3711 THR Chi-restraints excluded: chain A residue 3719 ASP Chi-restraints excluded: chain A residue 3732 SER Chi-restraints excluded: chain A residue 3752 SER Chi-restraints excluded: chain A residue 3754 GLU Chi-restraints excluded: chain A residue 3756 LYS Chi-restraints excluded: chain A residue 3764 LEU Chi-restraints excluded: chain A residue 3772 THR Chi-restraints excluded: chain A residue 3779 VAL Chi-restraints excluded: chain A residue 3787 LYS Chi-restraints excluded: chain A residue 3793 MET Chi-restraints excluded: chain A residue 3795 SER Chi-restraints excluded: chain A residue 3803 SER Chi-restraints excluded: chain A residue 3822 ASP Chi-restraints excluded: chain A residue 3826 VAL Chi-restraints excluded: chain A residue 3837 GLN Chi-restraints excluded: chain A residue 3869 GLN Chi-restraints excluded: chain A residue 3873 LYS Chi-restraints excluded: chain A residue 3875 MET Chi-restraints excluded: chain A residue 3881 THR Chi-restraints excluded: chain A residue 3893 GLU Chi-restraints excluded: chain A residue 3904 ARG Chi-restraints excluded: chain A residue 3905 THR Chi-restraints excluded: chain A residue 3907 THR Chi-restraints excluded: chain A residue 3916 ILE Chi-restraints excluded: chain A residue 3924 LEU Chi-restraints excluded: chain A residue 3929 SER Chi-restraints excluded: chain A residue 3930 ILE Chi-restraints excluded: chain A residue 3933 PHE Chi-restraints excluded: chain A residue 3938 SER Chi-restraints excluded: chain A residue 3942 VAL Chi-restraints excluded: chain A residue 3945 GLU Chi-restraints excluded: chain A residue 3952 SER Chi-restraints excluded: chain A residue 3967 GLU Chi-restraints excluded: chain A residue 3969 ILE Chi-restraints excluded: chain A residue 3970 GLN Chi-restraints excluded: chain A residue 3995 VAL Chi-restraints excluded: chain A residue 4005 GLN Chi-restraints excluded: chain A residue 4007 SER Chi-restraints excluded: chain A residue 4008 SER Chi-restraints excluded: chain A residue 4012 LEU Chi-restraints excluded: chain A residue 4015 GLU Chi-restraints excluded: chain A residue 4018 ASP Chi-restraints excluded: chain A residue 4019 LEU Chi-restraints excluded: chain A residue 4026 MET 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 4048 LEU Chi-restraints excluded: chain A residue 4049 VAL Chi-restraints excluded: chain A residue 4051 SER Chi-restraints excluded: chain A residue 4052 SER Chi-restraints excluded: chain A residue 4053 SER Chi-restraints excluded: chain A residue 4055 VAL Chi-restraints excluded: chain A residue 4064 MET Chi-restraints excluded: chain A residue 4067 LYS Chi-restraints excluded: chain A residue 4072 VAL Chi-restraints excluded: chain A residue 4075 GLU Chi-restraints excluded: chain A residue 4100 GLN Chi-restraints excluded: chain A residue 4102 GLN Chi-restraints excluded: chain A residue 4107 GLU Chi-restraints excluded: chain A residue 4109 GLN Chi-restraints excluded: chain A residue 4110 PHE Chi-restraints excluded: chain A residue 4112 LEU Chi-restraints excluded: chain A residue 4113 SER Chi-restraints excluded: chain A residue 4115 SER Chi-restraints excluded: chain A residue 4120 ASN Chi-restraints excluded: chain A residue 4123 ILE Chi-restraints excluded: chain A residue 4125 PHE Chi-restraints excluded: chain A residue 4127 GLU Chi-restraints excluded: chain A residue 4135 PRO Chi-restraints excluded: chain A residue 4139 ILE Chi-restraints excluded: chain A residue 4145 VAL Chi-restraints excluded: chain A residue 4154 VAL Chi-restraints excluded: chain A residue 4159 ARG Chi-restraints excluded: chain A residue 4170 ILE Chi-restraints excluded: chain A residue 4172 GLU Chi-restraints excluded: chain A residue 4178 LEU Chi-restraints excluded: chain A residue 4184 MET Chi-restraints excluded: chain A residue 4196 GLU Chi-restraints excluded: chain A residue 4200 THR Chi-restraints excluded: chain A residue 4220 ASP Chi-restraints excluded: chain A residue 4221 VAL Chi-restraints excluded: chain A residue 4232 GLU Chi-restraints excluded: chain A residue 4242 ILE Chi-restraints excluded: chain A residue 4244 GLU Chi-restraints excluded: chain A residue 4251 ILE Chi-restraints excluded: chain A residue 4546 VAL 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 4565 LEU Chi-restraints excluded: chain A residue 4568 PHE Chi-restraints excluded: chain A residue 4582 VAL Chi-restraints excluded: chain A residue 4632 LEU Chi-restraints excluded: chain A residue 4634 GLU Chi-restraints excluded: chain A residue 4645 CYS Chi-restraints excluded: chain A residue 4647 SER Chi-restraints excluded: chain A residue 4648 LEU Chi-restraints excluded: chain A residue 4653 VAL Chi-restraints excluded: chain A residue 4662 ASN Chi-restraints excluded: chain A residue 4667 PRO Chi-restraints excluded: chain A residue 4669 VAL Chi-restraints excluded: chain A residue 4688 ILE Chi-restraints excluded: chain A residue 4689 THR Chi-restraints excluded: chain A residue 4690 GLU Chi-restraints excluded: chain A residue 4694 ASP Chi-restraints excluded: chain A residue 4695 ASP Chi-restraints excluded: chain A residue 4698 LYS Chi-restraints excluded: chain A residue 4707 ASN Chi-restraints excluded: chain A residue 4710 SER Chi-restraints excluded: chain A residue 4713 SER Chi-restraints excluded: chain A residue 4718 LYS Chi-restraints excluded: chain A residue 4722 ARG Chi-restraints excluded: chain A residue 4737 ILE Chi-restraints excluded: chain A residue 4741 LEU Chi-restraints excluded: chain A residue 4743 MET Chi-restraints excluded: chain A residue 4745 LEU Chi-restraints excluded: chain A residue 4766 THR Chi-restraints excluded: chain A residue 4788 SER Chi-restraints excluded: chain A residue 4796 MET Chi-restraints excluded: chain A residue 4816 ILE Chi-restraints excluded: chain A residue 4818 MET Chi-restraints excluded: chain A residue 4825 THR Chi-restraints excluded: chain A residue 4836 GLN Chi-restraints excluded: chain A residue 4838 VAL Chi-restraints excluded: chain A residue 4850 LEU Chi-restraints excluded: chain A residue 4879 MET Chi-restraints excluded: chain A residue 4880 MET Chi-restraints excluded: chain A residue 4881 THR Chi-restraints excluded: chain A residue 4901 ILE Chi-restraints excluded: chain A residue 4918 ILE Chi-restraints excluded: chain A residue 4919 THR Chi-restraints excluded: chain A residue 4948 GLU Chi-restraints excluded: chain A residue 4952 GLU Chi-restraints excluded: chain A residue 4954 MET Chi-restraints excluded: chain A residue 4956 THR Chi-restraints excluded: chain A residue 4957 LYS Chi-restraints excluded: chain A residue 4961 CYS Chi-restraints excluded: chain A residue 4965 SER Chi-restraints excluded: chain A residue 4966 ASP Chi-restraints excluded: chain A residue 4980 LEU Chi-restraints excluded: chain A residue 4992 LEU Chi-restraints excluded: chain A residue 5002 GLU Chi-restraints excluded: chain A residue 5008 SER Chi-restraints excluded: chain A residue 5023 PRO Chi-restraints excluded: chain B residue 13 PHE Chi-restraints excluded: chain B residue 18 ASP Chi-restraints excluded: chain B residue 24 CYS Chi-restraints excluded: chain B residue 25 SER Chi-restraints excluded: chain B residue 29 LEU Chi-restraints excluded: chain B residue 32 GLN Chi-restraints excluded: chain B residue 33 LEU Chi-restraints excluded: chain B residue 35 LEU Chi-restraints excluded: chain B residue 47 CYS Chi-restraints excluded: chain B residue 54 ASN Chi-restraints excluded: chain B residue 58 VAL Chi-restraints excluded: chain B residue 66 CYS Chi-restraints excluded: chain B residue 75 VAL Chi-restraints excluded: chain B residue 78 LEU Chi-restraints excluded: chain B residue 81 MET Chi-restraints excluded: chain B residue 82 LEU Chi-restraints excluded: chain B residue 99 ARG Chi-restraints excluded: chain B residue 109 LEU Chi-restraints excluded: chain B residue 115 ARG Chi-restraints excluded: chain B residue 119 SER Chi-restraints excluded: chain B residue 120 CYS Chi-restraints excluded: chain B residue 125 ARG Chi-restraints excluded: chain B residue 128 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 146 CYS Chi-restraints excluded: chain B residue 149 THR Chi-restraints excluded: chain B residue 156 GLN Chi-restraints excluded: chain B residue 167 ASP Chi-restraints excluded: chain B residue 169 LEU Chi-restraints excluded: chain B residue 184 THR Chi-restraints excluded: chain B residue 188 GLU Chi-restraints excluded: chain B residue 189 LEU Chi-restraints excluded: chain B residue 190 GLN Chi-restraints excluded: chain B residue 197 GLN Chi-restraints excluded: chain B residue 202 MET Chi-restraints excluded: chain B residue 203 ASN Chi-restraints excluded: chain B residue 205 ILE Chi-restraints excluded: chain B residue 210 GLU Chi-restraints excluded: chain B residue 214 VAL Chi-restraints excluded: chain B residue 215 THR Chi-restraints excluded: chain B residue 218 HIS Chi-restraints excluded: chain B residue 220 LEU Chi-restraints excluded: chain B residue 232 THR Chi-restraints excluded: chain B residue 237 ASP Chi-restraints excluded: chain B residue 253 CYS Chi-restraints excluded: chain B residue 255 HIS Chi-restraints excluded: chain B residue 257 ARG Chi-restraints excluded: chain B residue 264 PRO Chi-restraints excluded: chain B residue 265 LEU Chi-restraints excluded: chain B residue 266 ARG Chi-restraints excluded: chain B residue 268 SER Chi-restraints excluded: chain B residue 272 SER Chi-restraints excluded: chain B residue 281 ARG Chi-restraints excluded: chain B residue 285 VAL Chi-restraints excluded: chain B residue 290 TYR Chi-restraints excluded: chain B residue 291 LEU Chi-restraints excluded: chain B residue 301 VAL Chi-restraints excluded: chain B residue 303 ASP Chi-restraints excluded: chain B residue 309 THR Chi-restraints excluded: chain B residue 310 LYS Chi-restraints excluded: chain B residue 312 THR Chi-restraints excluded: chain B residue 315 CYS Chi-restraints excluded: chain B residue 317 ARG Chi-restraints excluded: chain B residue 318 VAL Chi-restraints excluded: chain B residue 319 SER Chi-restraints excluded: chain B residue 320 LYS Chi-restraints excluded: chain B residue 321 GLU Chi-restraints excluded: chain B residue 334 MET Chi-restraints excluded: chain B residue 339 ILE Chi-restraints excluded: chain B residue 346 CYS Chi-restraints excluded: chain B residue 348 VAL Chi-restraints excluded: chain B residue 353 SER Chi-restraints excluded: chain B residue 358 THR Chi-restraints excluded: chain B residue 359 TYR Chi-restraints excluded: chain B residue 363 ASP Chi-restraints excluded: chain B residue 377 ILE Chi-restraints excluded: chain B residue 384 MET Chi-restraints excluded: chain B residue 386 ASP Chi-restraints excluded: chain B residue 389 PHE Chi-restraints excluded: chain B residue 392 ARG Chi-restraints excluded: chain B residue 396 GLU Chi-restraints excluded: chain B residue 397 GLU Chi-restraints excluded: chain B residue 404 ILE Chi-restraints excluded: chain B residue 405 HIS Chi-restraints excluded: chain B residue 407 THR Chi-restraints excluded: chain B residue 413 GLN Chi-restraints excluded: chain B residue 420 SER Chi-restraints excluded: chain B residue 441 VAL Chi-restraints excluded: chain B residue 442 ILE Chi-restraints excluded: chain B residue 447 ASP Chi-restraints excluded: chain B residue 448 LEU Chi-restraints excluded: chain B residue 456 SER Chi-restraints excluded: chain B residue 470 SER Chi-restraints excluded: chain B residue 473 ASN Chi-restraints excluded: chain B residue 487 VAL Chi-restraints excluded: chain B residue 494 LEU Chi-restraints excluded: chain B residue 495 ASN Chi-restraints excluded: chain B residue 496 VAL Chi-restraints excluded: chain B residue 503 PHE Chi-restraints excluded: chain B residue 505 GLU Chi-restraints excluded: chain B residue 510 GLU Chi-restraints excluded: chain B residue 521 LEU Chi-restraints excluded: chain B residue 528 SER Chi-restraints excluded: chain B residue 529 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 540 PHE Chi-restraints excluded: chain B residue 545 ASP Chi-restraints excluded: chain B residue 549 SER Chi-restraints excluded: chain B residue 560 ILE Chi-restraints excluded: chain B residue 569 ILE Chi-restraints excluded: chain B residue 575 LEU Chi-restraints excluded: chain B residue 577 ILE Chi-restraints excluded: chain B residue 578 ILE Chi-restraints excluded: chain B residue 580 GLU Chi-restraints excluded: chain B residue 587 ILE Chi-restraints excluded: chain B residue 612 VAL Chi-restraints excluded: chain B residue 621 ILE Chi-restraints excluded: chain B residue 625 LEU Chi-restraints excluded: chain B residue 629 ARG Chi-restraints excluded: chain B residue 637 LEU Chi-restraints excluded: chain B residue 645 ARG Chi-restraints excluded: chain B residue 657 THR Chi-restraints excluded: chain B residue 659 TYR Chi-restraints excluded: chain B residue 663 TYR Chi-restraints excluded: chain B residue 667 MET Chi-restraints excluded: chain B residue 668 VAL Chi-restraints excluded: chain B residue 672 VAL Chi-restraints excluded: chain B residue 675 LEU 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 707 VAL Chi-restraints excluded: chain B residue 709 ASP Chi-restraints excluded: chain B residue 710 ASP Chi-restraints excluded: chain B residue 714 TYR Chi-restraints excluded: chain B residue 723 THR Chi-restraints excluded: chain B residue 735 GLN Chi-restraints excluded: chain B residue 751 SER Chi-restraints excluded: chain B residue 752 VAL Chi-restraints excluded: chain B residue 755 ILE Chi-restraints excluded: chain B residue 756 SER Chi-restraints excluded: chain B residue 758 ARG Chi-restraints excluded: chain B residue 760 ASN Chi-restraints excluded: chain B residue 768 PHE Chi-restraints excluded: chain B residue 773 LEU Chi-restraints excluded: chain B residue 781 VAL Chi-restraints excluded: chain B residue 788 LYS Chi-restraints excluded: chain B residue 800 PHE Chi-restraints excluded: chain B residue 801 LYS Chi-restraints excluded: chain B residue 802 PHE Chi-restraints excluded: chain B residue 823 LEU Chi-restraints excluded: chain B residue 826 ILE Chi-restraints excluded: chain B residue 831 ARG Chi-restraints excluded: chain B residue 840 VAL Chi-restraints excluded: chain B residue 921 ASN Chi-restraints excluded: chain B residue 925 SER Chi-restraints excluded: chain B residue 932 LEU Chi-restraints excluded: chain B residue 933 LEU Chi-restraints excluded: chain B residue 974 HIS Chi-restraints excluded: chain B residue 978 THR Chi-restraints excluded: chain B residue 993 HIS Chi-restraints excluded: chain B residue 1043 VAL Chi-restraints excluded: chain B residue 1072 VAL Chi-restraints excluded: chain B residue 1074 ILE Chi-restraints excluded: chain B residue 1085 SER 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 1106 ARG Chi-restraints excluded: chain B residue 1109 LEU Chi-restraints excluded: chain B residue 1113 VAL Chi-restraints excluded: chain B residue 1114 GLU Chi-restraints excluded: chain B residue 1127 HIS Chi-restraints excluded: chain B residue 1131 ARG Chi-restraints excluded: chain B residue 1137 GLU Chi-restraints excluded: chain B residue 1143 TRP Chi-restraints excluded: chain B residue 1145 SER Chi-restraints excluded: chain B residue 1147 ASP Chi-restraints excluded: chain B residue 1151 CYS Chi-restraints excluded: chain B residue 1152 MET Chi-restraints excluded: chain B residue 1153 ILE Chi-restraints excluded: chain B residue 1154 ASP Chi-restraints excluded: chain B residue 1155 LEU Chi-restraints excluded: chain B residue 1163 THR Chi-restraints excluded: chain B residue 1164 LEU Chi-restraints excluded: chain B residue 1168 VAL Chi-restraints excluded: chain B residue 1169 LEU Chi-restraints excluded: chain B residue 1173 SER Chi-restraints excluded: chain B residue 1179 PHE Chi-restraints excluded: chain B residue 1182 ILE Chi-restraints excluded: chain B residue 1190 PRO Chi-restraints excluded: chain B residue 1192 CYS Chi-restraints excluded: chain B residue 1193 SER Chi-restraints excluded: chain B residue 1198 GLN Chi-restraints excluded: chain B residue 1202 LEU Chi-restraints excluded: chain B residue 1204 LEU Chi-restraints excluded: chain B residue 1208 VAL Chi-restraints excluded: chain B residue 1216 ILE Chi-restraints excluded: chain B residue 1219 LEU Chi-restraints excluded: chain B residue 1221 GLU Chi-restraints excluded: chain B residue 1234 VAL Chi-restraints excluded: chain B residue 1238 PHE Chi-restraints excluded: chain B residue 1241 SER Chi-restraints excluded: chain B residue 1248 VAL Chi-restraints excluded: chain B residue 1251 GLU Chi-restraints excluded: chain B residue 1259 ARG Chi-restraints excluded: chain B residue 1269 CYS Chi-restraints excluded: chain B residue 1271 ARG Chi-restraints excluded: chain B residue 1272 LEU Chi-restraints excluded: chain B residue 1282 SER Chi-restraints excluded: chain B residue 1283 LEU Chi-restraints excluded: chain B residue 1287 LEU Chi-restraints excluded: chain B residue 1431 THR Chi-restraints excluded: chain B residue 1437 VAL Chi-restraints excluded: chain B residue 1439 VAL Chi-restraints excluded: chain B residue 1444 GLU Chi-restraints excluded: chain B residue 1446 SER Chi-restraints excluded: chain B residue 1453 VAL Chi-restraints excluded: chain B residue 1457 TYR Chi-restraints excluded: chain B residue 1460 HIS Chi-restraints excluded: chain B residue 1462 MET Chi-restraints excluded: chain B residue 1469 VAL Chi-restraints excluded: chain B residue 1485 SER Chi-restraints excluded: chain B residue 1486 SER Chi-restraints excluded: chain B residue 1489 CYS Chi-restraints excluded: chain B residue 1576 SER Chi-restraints excluded: chain B residue 1580 PHE Chi-restraints excluded: chain B residue 1581 LEU Chi-restraints excluded: chain B residue 1583 GLU Chi-restraints excluded: chain B residue 1585 LYS Chi-restraints excluded: chain B residue 1595 LEU Chi-restraints excluded: chain B residue 1597 VAL Chi-restraints excluded: chain B residue 1599 MET Chi-restraints excluded: chain B residue 1600 LEU Chi-restraints excluded: chain B residue 1603 VAL Chi-restraints excluded: chain B residue 1607 ARG Chi-restraints excluded: chain B residue 1610 ASN Chi-restraints excluded: chain B residue 1630 CYS Chi-restraints excluded: chain B residue 1632 ASP Chi-restraints excluded: chain B residue 1634 LEU Chi-restraints excluded: chain B residue 1636 MET Chi-restraints excluded: chain B residue 1641 ILE Chi-restraints excluded: chain B residue 1642 PRO Chi-restraints excluded: chain B residue 1647 CYS Chi-restraints excluded: chain B residue 1657 LEU Chi-restraints excluded: chain B residue 1666 THR Chi-restraints excluded: chain B residue 1668 ARG Chi-restraints excluded: chain B residue 1671 ARG Chi-restraints excluded: chain B residue 1673 VAL Chi-restraints excluded: chain B residue 1679 ASN Chi-restraints excluded: chain B residue 1685 LEU Chi-restraints excluded: chain B residue 1687 SER Chi-restraints excluded: chain B residue 1689 VAL Chi-restraints excluded: chain B residue 1698 LEU Chi-restraints excluded: chain B residue 1699 GLU Chi-restraints excluded: chain B residue 1700 ASP Chi-restraints excluded: chain B residue 1704 PRO Chi-restraints excluded: chain B residue 1706 PRO Chi-restraints excluded: chain B residue 1717 SER Chi-restraints excluded: chain B residue 1720 LEU Chi-restraints excluded: chain B residue 1733 GLU Chi-restraints excluded: chain B residue 1736 VAL Chi-restraints excluded: chain B residue 1738 LEU Chi-restraints excluded: chain B residue 1739 THR Chi-restraints excluded: chain B residue 1759 ARG Chi-restraints excluded: chain B residue 1770 SER Chi-restraints excluded: chain B residue 1771 LEU 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 1802 ILE Chi-restraints excluded: chain B residue 1812 LEU Chi-restraints excluded: chain B residue 1815 LEU Chi-restraints excluded: chain B residue 1830 VAL Chi-restraints excluded: chain B residue 1834 VAL Chi-restraints excluded: chain B residue 1835 GLU Chi-restraints excluded: chain B residue 1837 GLN Chi-restraints excluded: chain B residue 1849 LEU Chi-restraints excluded: chain B residue 1857 GLU Chi-restraints excluded: chain B residue 1858 ASP Chi-restraints excluded: chain B residue 1863 LEU Chi-restraints excluded: chain B residue 1869 GLU Chi-restraints excluded: chain B residue 1870 VAL Chi-restraints excluded: chain B residue 1929 MET Chi-restraints excluded: chain B residue 1934 SER Chi-restraints excluded: chain B residue 1955 VAL Chi-restraints excluded: chain B residue 1961 PHE Chi-restraints excluded: chain B residue 1966 VAL Chi-restraints excluded: chain B residue 1969 LEU Chi-restraints excluded: chain B residue 1981 MET Chi-restraints excluded: chain B residue 1993 ARG Chi-restraints excluded: chain B residue 1995 THR Chi-restraints excluded: chain B residue 1996 ARG Chi-restraints excluded: chain B residue 2020 ASP Chi-restraints excluded: chain B residue 2027 ILE Chi-restraints excluded: chain B residue 2037 ASP Chi-restraints excluded: chain B residue 2039 LEU Chi-restraints excluded: chain B residue 2090 LYS Chi-restraints excluded: chain B residue 2093 SER Chi-restraints excluded: chain B residue 2094 LEU Chi-restraints excluded: chain B residue 2095 GLN Chi-restraints excluded: chain B residue 2097 LEU Chi-restraints excluded: chain B residue 2098 VAL Chi-restraints excluded: chain B residue 2100 HIS Chi-restraints excluded: chain B residue 2111 VAL Chi-restraints excluded: chain B residue 2122 SER Chi-restraints excluded: chain B residue 2136 ARG 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 2152 THR Chi-restraints excluded: chain B residue 2156 LEU Chi-restraints excluded: chain B residue 2161 GLN Chi-restraints excluded: chain B residue 2166 LEU Chi-restraints excluded: chain B residue 2167 ILE Chi-restraints excluded: chain B residue 2169 GLN Chi-restraints excluded: chain B residue 2170 MET Chi-restraints excluded: chain B residue 2175 GLU Chi-restraints excluded: chain B residue 2186 MET Chi-restraints excluded: chain B residue 2187 ASN Chi-restraints excluded: chain B residue 2197 LEU Chi-restraints excluded: chain B residue 2199 ARG Chi-restraints excluded: chain B residue 2221 LYS Chi-restraints excluded: chain B residue 2225 PHE Chi-restraints excluded: chain B residue 2227 LYS Chi-restraints excluded: chain B residue 2228 MET Chi-restraints excluded: chain B residue 2229 VAL Chi-restraints excluded: chain B residue 2230 THR Chi-restraints excluded: chain B residue 2231 SER Chi-restraints excluded: chain B residue 2238 TYR Chi-restraints excluded: chain B residue 2241 ARG Chi-restraints excluded: chain B residue 2242 ILE Chi-restraints excluded: chain B residue 2244 ARG Chi-restraints excluded: chain B residue 2270 SER Chi-restraints excluded: chain B residue 2274 ASP Chi-restraints excluded: chain B residue 2275 VAL Chi-restraints excluded: chain B residue 2280 VAL Chi-restraints excluded: chain B residue 2281 ILE Chi-restraints excluded: chain B residue 2290 LEU Chi-restraints excluded: chain B residue 2294 ASP Chi-restraints excluded: chain B residue 2295 LEU Chi-restraints excluded: chain B residue 2296 GLU Chi-restraints excluded: chain B residue 2300 SER Chi-restraints excluded: chain B residue 2309 SER Chi-restraints excluded: chain B residue 2312 MET Chi-restraints excluded: chain B residue 2324 ASN Chi-restraints excluded: chain B residue 2333 ASP Chi-restraints excluded: chain B residue 2336 ARG Chi-restraints excluded: chain B residue 2341 VAL Chi-restraints excluded: chain B residue 2345 SER Chi-restraints excluded: chain B residue 2346 VAL Chi-restraints excluded: chain B residue 2352 VAL Chi-restraints excluded: chain B residue 2353 VAL Chi-restraints excluded: chain B residue 2368 LEU Chi-restraints excluded: chain B residue 2377 LEU Chi-restraints excluded: chain B residue 2416 VAL Chi-restraints excluded: chain B residue 2423 MET Chi-restraints excluded: chain B residue 2430 ILE Chi-restraints excluded: chain B residue 2442 LEU Chi-restraints excluded: chain B residue 2454 ARG Chi-restraints excluded: chain B residue 2460 LEU Chi-restraints excluded: chain B residue 2461 VAL Chi-restraints excluded: chain B residue 2474 LEU Chi-restraints excluded: chain B residue 2479 LEU Chi-restraints excluded: chain B residue 3646 THR Chi-restraints excluded: chain B residue 3652 MET Chi-restraints excluded: chain B residue 3656 SER Chi-restraints excluded: chain B residue 3662 ILE Chi-restraints excluded: chain B residue 3667 HIS Chi-restraints excluded: chain B residue 3670 GLU Chi-restraints excluded: chain B residue 3678 SER Chi-restraints excluded: chain B residue 3696 ASP Chi-restraints excluded: chain B residue 3707 ARG Chi-restraints excluded: chain B residue 3711 THR Chi-restraints excluded: chain B residue 3719 ASP Chi-restraints excluded: chain B residue 3732 SER Chi-restraints excluded: chain B residue 3733 CYS Chi-restraints excluded: chain B residue 3752 SER Chi-restraints excluded: chain B residue 3754 GLU Chi-restraints excluded: chain B residue 3764 LEU Chi-restraints excluded: chain B residue 3772 THR Chi-restraints excluded: chain B residue 3779 VAL Chi-restraints excluded: chain B residue 3787 LYS Chi-restraints excluded: chain B residue 3793 MET Chi-restraints excluded: chain B residue 3795 SER Chi-restraints excluded: chain B residue 3803 SER Chi-restraints excluded: chain B residue 3822 ASP Chi-restraints excluded: chain B residue 3826 VAL Chi-restraints excluded: chain B residue 3837 GLN Chi-restraints excluded: chain B residue 3841 VAL Chi-restraints excluded: chain B residue 3852 LYS Chi-restraints excluded: chain B residue 3856 LEU Chi-restraints excluded: chain B residue 3869 GLN Chi-restraints excluded: chain B residue 3872 GLU Chi-restraints excluded: chain B residue 3881 THR Chi-restraints excluded: chain B residue 3893 GLU Chi-restraints excluded: chain B residue 3904 ARG Chi-restraints excluded: chain B residue 3905 THR Chi-restraints excluded: chain B residue 3907 THR Chi-restraints excluded: chain B residue 3916 ILE Chi-restraints excluded: chain B residue 3924 LEU Chi-restraints excluded: chain B residue 3929 SER Chi-restraints excluded: chain B residue 3930 ILE Chi-restraints excluded: chain B residue 3933 PHE Chi-restraints excluded: chain B residue 3938 SER Chi-restraints excluded: chain B residue 3942 VAL Chi-restraints excluded: chain B residue 3945 GLU Chi-restraints excluded: chain B residue 3952 SER Chi-restraints excluded: chain B residue 3967 GLU Chi-restraints excluded: chain B residue 3969 ILE Chi-restraints excluded: chain B residue 3970 GLN Chi-restraints excluded: chain B residue 3995 VAL Chi-restraints excluded: chain B residue 4005 GLN Chi-restraints excluded: chain B residue 4007 SER Chi-restraints excluded: chain B residue 4008 SER Chi-restraints excluded: chain B residue 4012 LEU Chi-restraints excluded: chain B residue 4014 LYS Chi-restraints excluded: chain B residue 4018 ASP 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 4048 LEU Chi-restraints excluded: chain B residue 4049 VAL Chi-restraints excluded: chain B residue 4051 SER Chi-restraints excluded: chain B residue 4052 SER Chi-restraints excluded: chain B residue 4053 SER Chi-restraints excluded: chain B residue 4055 VAL Chi-restraints excluded: chain B residue 4064 MET Chi-restraints excluded: chain B residue 4067 LYS Chi-restraints excluded: chain B residue 4072 VAL Chi-restraints excluded: chain B residue 4075 GLU Chi-restraints excluded: chain B residue 4082 THR Chi-restraints excluded: chain B residue 4083 ASP Chi-restraints excluded: chain B residue 4087 LEU Chi-restraints excluded: chain B residue 4088 ILE Chi-restraints excluded: chain B residue 4098 ASP Chi-restraints excluded: chain B residue 4100 GLN Chi-restraints excluded: chain B residue 4106 PRO Chi-restraints excluded: chain B residue 4107 GLU Chi-restraints excluded: chain B residue 4109 GLN Chi-restraints excluded: chain B residue 4110 PHE Chi-restraints excluded: chain B residue 4112 LEU Chi-restraints excluded: chain B residue 4113 SER Chi-restraints excluded: chain B residue 4120 ASN Chi-restraints excluded: chain B residue 4123 ILE Chi-restraints excluded: chain B residue 4125 PHE Chi-restraints excluded: chain B residue 4127 GLU Chi-restraints excluded: chain B residue 4135 PRO Chi-restraints excluded: chain B residue 4139 ILE Chi-restraints excluded: chain B residue 4145 VAL Chi-restraints excluded: chain B residue 4154 VAL Chi-restraints excluded: chain B residue 4159 ARG Chi-restraints excluded: chain B residue 4170 ILE Chi-restraints excluded: chain B residue 4172 GLU Chi-restraints excluded: chain B residue 4178 LEU Chi-restraints excluded: chain B residue 4184 MET Chi-restraints excluded: chain B residue 4196 GLU Chi-restraints excluded: chain B residue 4200 THR Chi-restraints excluded: chain B residue 4220 ASP Chi-restraints excluded: chain B residue 4221 VAL Chi-restraints excluded: chain B residue 4232 GLU Chi-restraints excluded: chain B residue 4242 ILE Chi-restraints excluded: chain B residue 4244 GLU Chi-restraints excluded: chain B residue 4251 ILE Chi-restraints excluded: chain B residue 4546 VAL 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 4565 LEU Chi-restraints excluded: chain B residue 4568 PHE Chi-restraints excluded: chain B residue 4582 VAL Chi-restraints excluded: chain B residue 4632 LEU Chi-restraints excluded: chain B residue 4634 GLU Chi-restraints excluded: chain B residue 4645 CYS Chi-restraints excluded: chain B residue 4647 SER Chi-restraints excluded: chain B residue 4653 VAL Chi-restraints excluded: chain B residue 4662 ASN Chi-restraints excluded: chain B residue 4667 PRO Chi-restraints excluded: chain B residue 4669 VAL Chi-restraints excluded: chain B residue 4688 ILE Chi-restraints excluded: chain B residue 4689 THR Chi-restraints excluded: chain B residue 4694 ASP Chi-restraints excluded: chain B residue 4696 ASP Chi-restraints excluded: chain B residue 4697 VAL Chi-restraints excluded: chain B residue 4698 LYS Chi-restraints excluded: chain B residue 4700 GLN Chi-restraints excluded: chain B residue 4704 LEU Chi-restraints excluded: chain B residue 4707 ASN Chi-restraints excluded: chain B residue 4710 SER Chi-restraints excluded: chain B residue 4713 SER Chi-restraints excluded: chain B residue 4718 LYS Chi-restraints excluded: chain B residue 4722 ARG Chi-restraints excluded: chain B residue 4737 ILE Chi-restraints excluded: chain B residue 4741 LEU Chi-restraints excluded: chain B residue 4743 MET Chi-restraints excluded: chain B residue 4745 LEU Chi-restraints excluded: chain B residue 4766 THR Chi-restraints excluded: chain B residue 4788 SER Chi-restraints excluded: chain B residue 4796 MET Chi-restraints excluded: chain B residue 4816 ILE Chi-restraints excluded: chain B residue 4818 MET Chi-restraints excluded: chain B residue 4825 THR Chi-restraints excluded: chain B residue 4836 GLN Chi-restraints excluded: chain B residue 4838 VAL Chi-restraints excluded: chain B residue 4850 LEU Chi-restraints excluded: chain B residue 4869 GLU Chi-restraints excluded: chain B residue 4876 CYS Chi-restraints excluded: chain B residue 4879 MET Chi-restraints excluded: chain B residue 4880 MET Chi-restraints excluded: chain B residue 4881 THR Chi-restraints excluded: chain B residue 4901 ILE Chi-restraints excluded: chain B residue 4918 ILE Chi-restraints excluded: chain B residue 4919 THR Chi-restraints excluded: chain B residue 4948 GLU Chi-restraints excluded: chain B residue 4952 GLU Chi-restraints excluded: chain B residue 4954 MET Chi-restraints excluded: chain B residue 4956 THR Chi-restraints excluded: chain B residue 4957 LYS Chi-restraints excluded: chain B residue 4961 CYS Chi-restraints excluded: chain B residue 4965 SER Chi-restraints excluded: chain B residue 4966 ASP Chi-restraints excluded: chain B residue 4980 LEU Chi-restraints excluded: chain B residue 4992 LEU Chi-restraints excluded: chain B residue 5002 GLU Chi-restraints excluded: chain B residue 5008 SER Chi-restraints excluded: chain B residue 5023 PRO Chi-restraints excluded: chain C residue 13 PHE Chi-restraints excluded: chain C residue 18 ASP Chi-restraints excluded: chain C residue 23 GLN Chi-restraints excluded: chain C residue 24 CYS Chi-restraints excluded: chain C residue 25 SER Chi-restraints excluded: chain C residue 32 GLN Chi-restraints excluded: chain C residue 35 LEU Chi-restraints excluded: chain C residue 47 CYS Chi-restraints excluded: chain C residue 54 ASN Chi-restraints excluded: chain C residue 58 VAL Chi-restraints excluded: chain C residue 66 CYS Chi-restraints excluded: chain C residue 75 VAL Chi-restraints excluded: chain C residue 78 LEU Chi-restraints excluded: chain C residue 81 MET Chi-restraints excluded: chain C residue 82 LEU Chi-restraints excluded: chain C residue 99 ARG Chi-restraints excluded: chain C residue 109 LEU Chi-restraints excluded: chain C residue 115 ARG Chi-restraints excluded: chain C residue 119 SER Chi-restraints excluded: chain C residue 120 CYS Chi-restraints excluded: chain C residue 125 ARG Chi-restraints excluded: chain C residue 128 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 146 CYS Chi-restraints excluded: chain C residue 149 THR Chi-restraints excluded: chain C residue 156 GLN Chi-restraints excluded: chain C residue 167 ASP Chi-restraints excluded: chain C residue 169 LEU Chi-restraints excluded: chain C residue 184 THR Chi-restraints excluded: chain C residue 188 GLU Chi-restraints excluded: chain C residue 190 GLN Chi-restraints excluded: chain C residue 197 GLN Chi-restraints excluded: chain C residue 202 MET Chi-restraints excluded: chain C residue 203 ASN Chi-restraints excluded: chain C residue 205 ILE Chi-restraints excluded: chain C residue 210 GLU Chi-restraints excluded: chain C residue 214 VAL Chi-restraints excluded: chain C residue 215 THR Chi-restraints excluded: chain C residue 218 HIS Chi-restraints excluded: chain C residue 220 LEU Chi-restraints excluded: chain C residue 232 THR Chi-restraints excluded: chain C residue 237 ASP Chi-restraints excluded: chain C residue 253 CYS Chi-restraints excluded: chain C residue 255 HIS Chi-restraints excluded: chain C residue 257 ARG Chi-restraints excluded: chain C residue 258 SER Chi-restraints excluded: chain C residue 264 PRO Chi-restraints excluded: chain C residue 265 LEU Chi-restraints excluded: chain C residue 266 ARG Chi-restraints excluded: chain C residue 268 SER Chi-restraints excluded: chain C residue 272 SER Chi-restraints excluded: chain C residue 281 ARG Chi-restraints excluded: chain C residue 286 THR Chi-restraints excluded: chain C residue 290 TYR Chi-restraints excluded: chain C residue 291 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 305 CYS Chi-restraints excluded: chain C residue 309 THR Chi-restraints excluded: chain C residue 312 THR Chi-restraints excluded: chain C residue 315 CYS Chi-restraints excluded: chain C residue 317 ARG Chi-restraints excluded: chain C residue 318 VAL Chi-restraints excluded: chain C residue 319 SER Chi-restraints excluded: chain C residue 320 LYS Chi-restraints excluded: chain C residue 321 GLU Chi-restraints excluded: chain C residue 322 LYS Chi-restraints excluded: chain C residue 334 MET Chi-restraints excluded: chain C residue 339 ILE Chi-restraints excluded: chain C residue 346 CYS Chi-restraints excluded: chain C residue 348 VAL Chi-restraints excluded: chain C residue 353 SER Chi-restraints excluded: chain C residue 358 THR Chi-restraints excluded: chain C residue 359 TYR Chi-restraints excluded: chain C residue 377 ILE Chi-restraints excluded: chain C residue 379 HIS Chi-restraints excluded: chain C residue 386 ASP Chi-restraints excluded: chain C residue 389 PHE Chi-restraints excluded: chain C residue 392 ARG Chi-restraints excluded: chain C residue 396 GLU Chi-restraints excluded: chain C residue 397 GLU Chi-restraints excluded: chain C residue 404 ILE Chi-restraints excluded: chain C residue 405 HIS Chi-restraints excluded: chain C residue 407 THR Chi-restraints excluded: chain C residue 413 GLN Chi-restraints excluded: chain C residue 420 SER Chi-restraints excluded: chain C residue 441 VAL Chi-restraints excluded: chain C residue 442 ILE Chi-restraints excluded: chain C residue 447 ASP Chi-restraints excluded: chain C residue 448 LEU Chi-restraints excluded: chain C residue 456 SER Chi-restraints excluded: chain C residue 470 SER Chi-restraints excluded: chain C residue 473 ASN Chi-restraints excluded: chain C residue 479 GLN Chi-restraints excluded: chain C residue 484 LEU Chi-restraints excluded: chain C residue 487 VAL Chi-restraints excluded: chain C residue 494 LEU Chi-restraints excluded: chain C residue 495 ASN Chi-restraints excluded: chain C residue 503 PHE Chi-restraints excluded: chain C residue 505 GLU Chi-restraints excluded: chain C residue 528 SER 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 540 PHE Chi-restraints excluded: chain C residue 545 ASP Chi-restraints excluded: chain C residue 549 SER Chi-restraints excluded: chain C residue 551 LEU Chi-restraints excluded: chain C residue 552 ASP Chi-restraints excluded: chain C residue 560 ILE Chi-restraints excluded: chain C residue 569 ILE Chi-restraints excluded: chain C residue 575 LEU Chi-restraints excluded: chain C residue 577 ILE Chi-restraints excluded: chain C residue 578 ILE Chi-restraints excluded: chain C residue 580 GLU Chi-restraints excluded: chain C residue 587 ILE Chi-restraints excluded: chain C residue 590 LEU Chi-restraints excluded: chain C residue 605 SER Chi-restraints excluded: chain C residue 612 VAL Chi-restraints excluded: chain C residue 621 ILE Chi-restraints excluded: chain C residue 625 LEU Chi-restraints excluded: chain C residue 629 ARG Chi-restraints excluded: chain C residue 637 LEU Chi-restraints excluded: chain C residue 652 ARG Chi-restraints excluded: chain C residue 657 THR Chi-restraints excluded: chain C residue 659 TYR Chi-restraints excluded: chain C residue 663 TYR Chi-restraints excluded: chain C residue 667 MET Chi-restraints excluded: chain C residue 668 VAL Chi-restraints excluded: chain C residue 675 LEU 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 707 VAL Chi-restraints excluded: chain C residue 709 ASP Chi-restraints excluded: chain C residue 710 ASP Chi-restraints excluded: chain C residue 723 THR Chi-restraints excluded: chain C residue 736 HIS Chi-restraints excluded: chain C residue 751 SER Chi-restraints excluded: chain C residue 752 VAL Chi-restraints excluded: chain C residue 755 ILE Chi-restraints excluded: chain C residue 756 SER Chi-restraints excluded: chain C residue 760 ASN Chi-restraints excluded: chain C residue 768 PHE Chi-restraints excluded: chain C residue 773 LEU Chi-restraints excluded: chain C residue 778 PHE Chi-restraints excluded: chain C residue 781 VAL Chi-restraints excluded: chain C residue 788 LYS Chi-restraints excluded: chain C residue 800 PHE Chi-restraints excluded: chain C residue 801 LYS Chi-restraints excluded: chain C residue 802 PHE Chi-restraints excluded: chain C residue 823 LEU Chi-restraints excluded: chain C residue 826 ILE Chi-restraints excluded: chain C residue 831 ARG Chi-restraints excluded: chain C residue 840 VAL Chi-restraints excluded: chain C residue 870 ILE Chi-restraints excluded: chain C residue 921 ASN Chi-restraints excluded: chain C residue 924 MET Chi-restraints excluded: chain C residue 925 SER Chi-restraints excluded: chain C residue 932 LEU Chi-restraints excluded: chain C residue 933 LEU Chi-restraints excluded: chain C residue 961 MET Chi-restraints excluded: chain C residue 974 HIS Chi-restraints excluded: chain C residue 978 THR Chi-restraints excluded: chain C residue 1043 VAL Chi-restraints excluded: chain C residue 1072 VAL Chi-restraints excluded: chain C residue 1074 ILE Chi-restraints excluded: chain C residue 1085 SER Chi-restraints excluded: chain C residue 1087 ARG Chi-restraints excluded: chain C residue 1093 GLU Chi-restraints excluded: chain C residue 1095 VAL Chi-restraints excluded: chain C residue 1106 ARG Chi-restraints excluded: chain C residue 1113 VAL Chi-restraints excluded: chain C residue 1123 VAL Chi-restraints excluded: chain C residue 1127 HIS Chi-restraints excluded: chain C residue 1131 ARG Chi-restraints excluded: chain C residue 1137 GLU Chi-restraints excluded: chain C residue 1141 ARG Chi-restraints excluded: chain C residue 1143 TRP Chi-restraints excluded: chain C residue 1145 SER Chi-restraints excluded: chain C residue 1147 ASP Chi-restraints excluded: chain C residue 1151 CYS Chi-restraints excluded: chain C residue 1152 MET Chi-restraints excluded: chain C residue 1153 ILE Chi-restraints excluded: chain C residue 1154 ASP Chi-restraints excluded: chain C residue 1155 LEU Chi-restraints excluded: chain C residue 1163 THR Chi-restraints excluded: chain C residue 1164 LEU Chi-restraints excluded: chain C residue 1168 VAL Chi-restraints excluded: chain C residue 1170 MET Chi-restraints excluded: chain C residue 1173 SER Chi-restraints excluded: chain C residue 1190 PRO Chi-restraints excluded: chain C residue 1192 CYS Chi-restraints excluded: chain C residue 1193 SER Chi-restraints excluded: chain C residue 1198 GLN Chi-restraints excluded: chain C residue 1202 LEU Chi-restraints excluded: chain C residue 1204 LEU Chi-restraints excluded: chain C residue 1208 VAL Chi-restraints excluded: chain C residue 1216 ILE Chi-restraints excluded: chain C residue 1219 LEU Chi-restraints excluded: chain C residue 1221 GLU Chi-restraints excluded: chain C residue 1234 VAL Chi-restraints excluded: chain C residue 1238 PHE Chi-restraints excluded: chain C residue 1241 SER 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 1259 ARG Chi-restraints excluded: chain C residue 1269 CYS Chi-restraints excluded: chain C residue 1271 ARG Chi-restraints excluded: chain C residue 1272 LEU Chi-restraints excluded: chain C residue 1282 SER Chi-restraints excluded: chain C residue 1283 LEU Chi-restraints excluded: chain C residue 1287 LEU Chi-restraints excluded: chain C residue 1431 THR Chi-restraints excluded: chain C residue 1437 VAL Chi-restraints excluded: chain C residue 1444 GLU Chi-restraints excluded: chain C residue 1453 VAL Chi-restraints excluded: chain C residue 1457 TYR Chi-restraints excluded: chain C residue 1460 HIS Chi-restraints excluded: chain C residue 1462 MET Chi-restraints excluded: chain C residue 1466 LEU Chi-restraints excluded: chain C residue 1467 SER Chi-restraints excluded: chain C residue 1468 LYS Chi-restraints excluded: chain C residue 1469 VAL Chi-restraints excluded: chain C residue 1472 VAL Chi-restraints excluded: chain C residue 1485 SER Chi-restraints excluded: chain C residue 1486 SER Chi-restraints excluded: chain C residue 1576 SER Chi-restraints excluded: chain C residue 1580 PHE Chi-restraints excluded: chain C residue 1595 LEU Chi-restraints excluded: chain C residue 1597 VAL Chi-restraints excluded: chain C residue 1599 MET Chi-restraints excluded: chain C residue 1600 LEU Chi-restraints excluded: chain C residue 1603 VAL Chi-restraints excluded: chain C residue 1607 ARG Chi-restraints excluded: chain C residue 1610 ASN Chi-restraints excluded: chain C residue 1632 ASP Chi-restraints excluded: chain C residue 1634 LEU Chi-restraints excluded: chain C residue 1641 ILE Chi-restraints excluded: chain C residue 1642 PRO Chi-restraints excluded: chain C residue 1647 CYS Chi-restraints excluded: chain C residue 1657 LEU Chi-restraints excluded: chain C residue 1666 THR Chi-restraints excluded: chain C residue 1668 ARG Chi-restraints excluded: chain C residue 1671 ARG 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 1685 LEU Chi-restraints excluded: chain C residue 1687 SER Chi-restraints excluded: chain C residue 1689 VAL Chi-restraints excluded: chain C residue 1698 LEU Chi-restraints excluded: chain C residue 1699 GLU Chi-restraints excluded: chain C residue 1700 ASP Chi-restraints excluded: chain C residue 1704 PRO Chi-restraints excluded: chain C residue 1706 PRO Chi-restraints excluded: chain C residue 1717 SER Chi-restraints excluded: chain C residue 1720 LEU Chi-restraints excluded: chain C residue 1733 GLU Chi-restraints excluded: chain C residue 1736 VAL Chi-restraints excluded: chain C residue 1738 LEU Chi-restraints excluded: chain C residue 1739 THR Chi-restraints excluded: chain C residue 1760 HIS Chi-restraints excluded: chain C residue 1770 SER Chi-restraints excluded: chain C residue 1771 LEU 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 1802 ILE Chi-restraints excluded: chain C residue 1812 LEU Chi-restraints excluded: chain C residue 1815 LEU Chi-restraints excluded: chain C residue 1830 VAL Chi-restraints excluded: chain C residue 1834 VAL Chi-restraints excluded: chain C residue 1835 GLU Chi-restraints excluded: chain C residue 1837 GLN Chi-restraints excluded: chain C residue 1849 LEU Chi-restraints excluded: chain C residue 1857 GLU Chi-restraints excluded: chain C residue 1858 ASP Chi-restraints excluded: chain C residue 1869 GLU Chi-restraints excluded: chain C residue 1872 THR Chi-restraints excluded: chain C residue 1873 GLU Chi-restraints excluded: chain C residue 1929 MET Chi-restraints excluded: chain C residue 1930 LYS Chi-restraints excluded: chain C residue 1934 SER Chi-restraints excluded: chain C residue 1955 VAL Chi-restraints excluded: chain C residue 1961 PHE Chi-restraints excluded: chain C residue 1966 VAL Chi-restraints excluded: chain C residue 1969 LEU Chi-restraints excluded: chain C residue 1987 SER Chi-restraints excluded: chain C residue 2020 ASP Chi-restraints excluded: chain C residue 2027 ILE Chi-restraints excluded: chain C residue 2037 ASP Chi-restraints excluded: chain C residue 2039 LEU Chi-restraints excluded: chain C residue 2044 ILE Chi-restraints excluded: chain C residue 2093 SER Chi-restraints excluded: chain C residue 2094 LEU Chi-restraints excluded: chain C residue 2095 GLN Chi-restraints excluded: chain C residue 2097 LEU Chi-restraints excluded: chain C residue 2098 VAL Chi-restraints excluded: chain C residue 2111 VAL Chi-restraints excluded: chain C residue 2122 SER Chi-restraints excluded: chain C residue 2136 ARG 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 2156 LEU Chi-restraints excluded: chain C residue 2161 GLN Chi-restraints excluded: chain C residue 2166 LEU Chi-restraints excluded: chain C residue 2167 ILE Chi-restraints excluded: chain C residue 2169 GLN Chi-restraints excluded: chain C residue 2170 MET Chi-restraints excluded: chain C residue 2175 GLU Chi-restraints excluded: chain C residue 2186 MET Chi-restraints excluded: chain C residue 2187 ASN Chi-restraints excluded: chain C residue 2197 LEU Chi-restraints excluded: chain C residue 2199 ARG Chi-restraints excluded: chain C residue 2221 LYS Chi-restraints excluded: chain C residue 2227 LYS Chi-restraints excluded: chain C residue 2228 MET Chi-restraints excluded: chain C residue 2229 VAL Chi-restraints excluded: chain C residue 2230 THR Chi-restraints excluded: chain C residue 2231 SER Chi-restraints excluded: chain C residue 2238 TYR Chi-restraints excluded: chain C residue 2241 ARG Chi-restraints excluded: chain C residue 2242 ILE Chi-restraints excluded: chain C residue 2244 ARG Chi-restraints excluded: chain C residue 2270 SER Chi-restraints excluded: chain C residue 2274 ASP Chi-restraints excluded: chain C residue 2275 VAL Chi-restraints excluded: chain C residue 2280 VAL Chi-restraints excluded: chain C residue 2281 ILE Chi-restraints excluded: chain C residue 2290 LEU Chi-restraints excluded: chain C residue 2293 GLN Chi-restraints excluded: chain C residue 2294 ASP Chi-restraints excluded: chain C residue 2295 LEU Chi-restraints excluded: chain C residue 2296 GLU Chi-restraints excluded: chain C residue 2299 VAL Chi-restraints excluded: chain C residue 2300 SER Chi-restraints excluded: chain C residue 2312 MET Chi-restraints excluded: chain C residue 2324 ASN Chi-restraints excluded: chain C residue 2333 ASP Chi-restraints excluded: chain C residue 2336 ARG Chi-restraints excluded: chain C residue 2341 VAL Chi-restraints excluded: chain C residue 2345 SER Chi-restraints excluded: chain C residue 2346 VAL Chi-restraints excluded: chain C residue 2352 VAL Chi-restraints excluded: chain C residue 2353 VAL Chi-restraints excluded: chain C residue 2368 LEU Chi-restraints excluded: chain C residue 2371 GLU Chi-restraints excluded: chain C residue 2377 LEU Chi-restraints excluded: chain C residue 2387 SER Chi-restraints excluded: chain C residue 2416 VAL Chi-restraints excluded: chain C residue 2423 MET Chi-restraints excluded: chain C residue 2430 ILE Chi-restraints excluded: chain C residue 2442 LEU Chi-restraints excluded: chain C residue 2454 ARG Chi-restraints excluded: chain C residue 2458 ARG Chi-restraints excluded: chain C residue 2460 LEU Chi-restraints excluded: chain C residue 2461 VAL Chi-restraints excluded: chain C residue 2474 LEU Chi-restraints excluded: chain C residue 2479 LEU Chi-restraints excluded: chain C residue 3646 THR Chi-restraints excluded: chain C residue 3652 MET Chi-restraints excluded: chain C residue 3656 SER Chi-restraints excluded: chain C residue 3661 TRP Chi-restraints excluded: chain C residue 3662 ILE Chi-restraints excluded: chain C residue 3669 PHE Chi-restraints excluded: chain C residue 3670 GLU Chi-restraints excluded: chain C residue 3678 SER Chi-restraints excluded: chain C residue 3679 LYS Chi-restraints excluded: chain C residue 3694 LYS Chi-restraints excluded: chain C residue 3696 ASP Chi-restraints excluded: chain C residue 3707 ARG Chi-restraints excluded: chain C residue 3711 THR Chi-restraints excluded: chain C residue 3719 ASP Chi-restraints excluded: chain C residue 3732 SER Chi-restraints excluded: chain C residue 3733 CYS Chi-restraints excluded: chain C residue 3752 SER Chi-restraints excluded: chain C residue 3754 GLU Chi-restraints excluded: chain C residue 3764 LEU Chi-restraints excluded: chain C residue 3772 THR Chi-restraints excluded: chain C residue 3779 VAL Chi-restraints excluded: chain C residue 3787 LYS Chi-restraints excluded: chain C residue 3793 MET Chi-restraints excluded: chain C residue 3795 SER Chi-restraints excluded: chain C residue 3803 SER Chi-restraints excluded: chain C residue 3822 ASP Chi-restraints excluded: chain C residue 3826 VAL Chi-restraints excluded: chain C residue 3837 GLN Chi-restraints excluded: chain C residue 3873 LYS Chi-restraints excluded: chain C residue 3893 GLU Chi-restraints excluded: chain C residue 3904 ARG Chi-restraints excluded: chain C residue 3907 THR Chi-restraints excluded: chain C residue 3916 ILE Chi-restraints excluded: chain C residue 3924 LEU Chi-restraints excluded: chain C residue 3929 SER Chi-restraints excluded: chain C residue 3930 ILE Chi-restraints excluded: chain C residue 3933 PHE Chi-restraints excluded: chain C residue 3938 SER Chi-restraints excluded: chain C residue 3942 VAL Chi-restraints excluded: chain C residue 3945 GLU Chi-restraints excluded: chain C residue 3952 SER Chi-restraints excluded: chain C residue 3967 GLU Chi-restraints excluded: chain C residue 3969 ILE Chi-restraints excluded: chain C residue 3970 GLN Chi-restraints excluded: chain C residue 3995 VAL Chi-restraints excluded: chain C residue 4005 GLN Chi-restraints excluded: chain C residue 4007 SER Chi-restraints excluded: chain C residue 4008 SER Chi-restraints excluded: chain C residue 4014 LYS Chi-restraints excluded: chain C residue 4018 ASP 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 4048 LEU Chi-restraints excluded: chain C residue 4049 VAL Chi-restraints excluded: chain C residue 4051 SER Chi-restraints excluded: chain C residue 4052 SER Chi-restraints excluded: chain C residue 4053 SER Chi-restraints excluded: chain C residue 4055 VAL Chi-restraints excluded: chain C residue 4064 MET Chi-restraints excluded: chain C residue 4067 LYS Chi-restraints excluded: chain C residue 4072 VAL Chi-restraints excluded: chain C residue 4075 GLU Chi-restraints excluded: chain C residue 4082 THR Chi-restraints excluded: chain C residue 4083 ASP Chi-restraints excluded: chain C residue 4088 ILE Chi-restraints excluded: chain C residue 4098 ASP Chi-restraints excluded: chain C residue 4100 GLN Chi-restraints excluded: chain C residue 4106 PRO Chi-restraints excluded: chain C residue 4107 GLU Chi-restraints excluded: chain C residue 4109 GLN Chi-restraints excluded: chain C residue 4110 PHE Chi-restraints excluded: chain C residue 4112 LEU Chi-restraints excluded: chain C residue 4113 SER Chi-restraints excluded: chain C residue 4120 ASN Chi-restraints excluded: chain C residue 4123 ILE Chi-restraints excluded: chain C residue 4125 PHE Chi-restraints excluded: chain C residue 4127 GLU Chi-restraints excluded: chain C residue 4135 PRO Chi-restraints excluded: chain C residue 4139 ILE Chi-restraints excluded: chain C residue 4145 VAL Chi-restraints excluded: chain C residue 4154 VAL Chi-restraints excluded: chain C residue 4159 ARG Chi-restraints excluded: chain C residue 4170 ILE Chi-restraints excluded: chain C residue 4172 GLU Chi-restraints excluded: chain C residue 4176 PRO 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 4184 MET Chi-restraints excluded: chain C residue 4196 GLU Chi-restraints excluded: chain C residue 4200 THR Chi-restraints excluded: chain C residue 4202 ARG Chi-restraints excluded: chain C residue 4220 ASP Chi-restraints excluded: chain C residue 4221 VAL Chi-restraints excluded: chain C residue 4232 GLU Chi-restraints excluded: chain C residue 4242 ILE Chi-restraints excluded: chain C residue 4244 GLU Chi-restraints excluded: chain C residue 4251 ILE Chi-restraints excluded: chain C residue 4546 VAL 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 4568 PHE Chi-restraints excluded: chain C residue 4582 VAL Chi-restraints excluded: chain C residue 4632 LEU Chi-restraints excluded: chain C residue 4634 GLU Chi-restraints excluded: chain C residue 4645 CYS Chi-restraints excluded: chain C residue 4647 SER Chi-restraints excluded: chain C residue 4653 VAL Chi-restraints excluded: chain C residue 4662 ASN Chi-restraints excluded: chain C residue 4667 PRO Chi-restraints excluded: chain C residue 4669 VAL Chi-restraints excluded: chain C residue 4688 ILE Chi-restraints excluded: chain C residue 4689 THR Chi-restraints excluded: chain C residue 4690 GLU Chi-restraints excluded: chain C residue 4694 ASP Chi-restraints excluded: chain C residue 4695 ASP Chi-restraints excluded: chain C residue 4698 LYS Chi-restraints excluded: chain C residue 4704 LEU Chi-restraints excluded: chain C residue 4707 ASN Chi-restraints excluded: chain C residue 4710 SER Chi-restraints excluded: chain C residue 4713 SER Chi-restraints excluded: chain C residue 4718 LYS Chi-restraints excluded: chain C residue 4722 ARG Chi-restraints excluded: chain C residue 4737 ILE Chi-restraints excluded: chain C residue 4741 LEU Chi-restraints excluded: chain C residue 4743 MET Chi-restraints excluded: chain C residue 4745 LEU Chi-restraints excluded: chain C residue 4766 THR Chi-restraints excluded: chain C residue 4788 SER Chi-restraints excluded: chain C residue 4816 ILE Chi-restraints excluded: chain C residue 4818 MET Chi-restraints excluded: chain C residue 4825 THR Chi-restraints excluded: chain C residue 4836 GLN Chi-restraints excluded: chain C residue 4838 VAL Chi-restraints excluded: chain C residue 4850 LEU Chi-restraints excluded: chain C residue 4869 GLU Chi-restraints excluded: chain C residue 4870 ASP Chi-restraints excluded: chain C residue 4876 CYS Chi-restraints excluded: chain C residue 4879 MET Chi-restraints excluded: chain C residue 4880 MET Chi-restraints excluded: chain C residue 4881 THR Chi-restraints excluded: chain C residue 4901 ILE Chi-restraints excluded: chain C residue 4918 ILE Chi-restraints excluded: chain C residue 4919 THR Chi-restraints excluded: chain C residue 4942 GLU Chi-restraints excluded: chain C residue 4948 GLU Chi-restraints excluded: chain C residue 4952 GLU Chi-restraints excluded: chain C residue 4954 MET Chi-restraints excluded: chain C residue 4956 THR Chi-restraints excluded: chain C residue 4957 LYS Chi-restraints excluded: chain C residue 4961 CYS Chi-restraints excluded: chain C residue 4965 SER Chi-restraints excluded: chain C residue 4966 ASP Chi-restraints excluded: chain C residue 4980 LEU Chi-restraints excluded: chain C residue 4992 LEU Chi-restraints excluded: chain C residue 5002 GLU Chi-restraints excluded: chain C residue 5008 SER Chi-restraints excluded: chain C residue 5023 PRO Chi-restraints excluded: chain D residue 13 PHE Chi-restraints excluded: chain D residue 18 ASP Chi-restraints excluded: chain D residue 24 CYS Chi-restraints excluded: chain D residue 25 SER Chi-restraints excluded: chain D residue 35 LEU Chi-restraints excluded: chain D residue 47 CYS Chi-restraints excluded: chain D residue 54 ASN Chi-restraints excluded: chain D residue 66 CYS Chi-restraints excluded: chain D residue 75 VAL Chi-restraints excluded: chain D residue 78 LEU Chi-restraints excluded: chain D residue 81 MET Chi-restraints excluded: chain D residue 82 LEU Chi-restraints excluded: chain D residue 99 ARG Chi-restraints excluded: chain D residue 109 LEU Chi-restraints excluded: chain D residue 115 ARG Chi-restraints excluded: chain D residue 119 SER Chi-restraints excluded: chain D residue 120 CYS Chi-restraints excluded: chain D residue 125 ARG Chi-restraints excluded: chain D residue 128 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 146 CYS Chi-restraints excluded: chain D residue 149 THR Chi-restraints excluded: chain D residue 156 GLN Chi-restraints excluded: chain D residue 167 ASP Chi-restraints excluded: chain D residue 169 LEU Chi-restraints excluded: chain D residue 184 THR Chi-restraints excluded: chain D residue 188 GLU Chi-restraints excluded: chain D residue 189 LEU Chi-restraints excluded: chain D residue 190 GLN Chi-restraints excluded: chain D residue 194 SER Chi-restraints excluded: chain D residue 197 GLN Chi-restraints excluded: chain D residue 202 MET Chi-restraints excluded: chain D residue 203 ASN Chi-restraints excluded: chain D residue 205 ILE Chi-restraints excluded: chain D residue 210 GLU Chi-restraints excluded: chain D residue 214 VAL Chi-restraints excluded: chain D residue 215 THR Chi-restraints excluded: chain D residue 218 HIS Chi-restraints excluded: chain D residue 220 LEU Chi-restraints excluded: chain D residue 232 THR Chi-restraints excluded: chain D residue 237 ASP Chi-restraints excluded: chain D residue 253 CYS Chi-restraints excluded: chain D residue 255 HIS Chi-restraints excluded: chain D residue 257 ARG Chi-restraints excluded: chain D residue 258 SER Chi-restraints excluded: chain D residue 264 PRO Chi-restraints excluded: chain D residue 265 LEU Chi-restraints excluded: chain D residue 266 ARG Chi-restraints excluded: chain D residue 268 SER Chi-restraints excluded: chain D residue 272 SER Chi-restraints excluded: chain D residue 281 ARG Chi-restraints excluded: chain D residue 286 THR Chi-restraints excluded: chain D residue 290 TYR Chi-restraints excluded: chain D residue 291 LEU Chi-restraints excluded: chain D residue 301 VAL Chi-restraints excluded: chain D residue 303 ASP Chi-restraints excluded: chain D residue 305 CYS Chi-restraints excluded: chain D residue 309 THR Chi-restraints excluded: chain D residue 315 CYS Chi-restraints excluded: chain D residue 317 ARG Chi-restraints excluded: chain D residue 318 VAL Chi-restraints excluded: chain D residue 319 SER Chi-restraints excluded: chain D residue 320 LYS Chi-restraints excluded: chain D residue 321 GLU Chi-restraints excluded: chain D residue 334 MET Chi-restraints excluded: chain D residue 339 ILE Chi-restraints excluded: chain D residue 346 CYS Chi-restraints excluded: chain D residue 348 VAL Chi-restraints excluded: chain D residue 353 SER Chi-restraints excluded: chain D residue 358 THR Chi-restraints excluded: chain D residue 359 TYR Chi-restraints excluded: chain D residue 377 ILE Chi-restraints excluded: chain D residue 384 MET Chi-restraints excluded: chain D residue 386 ASP Chi-restraints excluded: chain D residue 389 PHE Chi-restraints excluded: chain D residue 392 ARG Chi-restraints excluded: chain D residue 396 GLU Chi-restraints excluded: chain D residue 397 GLU Chi-restraints excluded: chain D residue 404 ILE Chi-restraints excluded: chain D residue 405 HIS Chi-restraints excluded: chain D residue 407 THR Chi-restraints excluded: chain D residue 413 GLN Chi-restraints excluded: chain D residue 420 SER Chi-restraints excluded: chain D residue 441 VAL Chi-restraints excluded: chain D residue 442 ILE Chi-restraints excluded: chain D residue 447 ASP Chi-restraints excluded: chain D residue 448 LEU Chi-restraints excluded: chain D residue 456 SER Chi-restraints excluded: chain D residue 470 SER Chi-restraints excluded: chain D residue 473 ASN Chi-restraints excluded: chain D residue 479 GLN Chi-restraints excluded: chain D residue 481 GLU Chi-restraints excluded: chain D residue 487 VAL Chi-restraints excluded: chain D residue 494 LEU Chi-restraints excluded: chain D residue 495 ASN Chi-restraints excluded: chain D residue 505 GLU Chi-restraints excluded: chain D residue 510 GLU Chi-restraints excluded: chain D residue 521 LEU Chi-restraints excluded: chain D residue 528 SER 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 540 PHE Chi-restraints excluded: chain D residue 545 ASP Chi-restraints excluded: chain D residue 549 SER Chi-restraints excluded: chain D residue 554 LEU Chi-restraints excluded: chain D residue 560 ILE Chi-restraints excluded: chain D residue 569 ILE Chi-restraints excluded: chain D residue 575 LEU Chi-restraints excluded: chain D residue 577 ILE Chi-restraints excluded: chain D residue 578 ILE Chi-restraints excluded: chain D residue 580 GLU Chi-restraints excluded: chain D residue 587 ILE Chi-restraints excluded: chain D residue 612 VAL Chi-restraints excluded: chain D residue 621 ILE Chi-restraints excluded: chain D residue 625 LEU Chi-restraints excluded: chain D residue 629 ARG Chi-restraints excluded: chain D residue 637 LEU Chi-restraints excluded: chain D residue 645 ARG Chi-restraints excluded: chain D residue 652 ARG Chi-restraints excluded: chain D residue 657 THR Chi-restraints excluded: chain D residue 667 MET Chi-restraints excluded: chain D residue 668 VAL Chi-restraints excluded: chain D residue 672 VAL Chi-restraints excluded: chain D residue 675 LEU 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 707 VAL Chi-restraints excluded: chain D residue 709 ASP Chi-restraints excluded: chain D residue 710 ASP Chi-restraints excluded: chain D residue 723 THR Chi-restraints excluded: chain D residue 751 SER Chi-restraints excluded: chain D residue 755 ILE 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 768 PHE Chi-restraints excluded: chain D residue 773 LEU Chi-restraints excluded: chain D residue 778 PHE Chi-restraints excluded: chain D residue 781 VAL Chi-restraints excluded: chain D residue 788 LYS Chi-restraints excluded: chain D residue 800 PHE Chi-restraints excluded: chain D residue 801 LYS Chi-restraints excluded: chain D residue 821 LEU Chi-restraints excluded: chain D residue 822 ARG Chi-restraints excluded: chain D residue 826 ILE Chi-restraints excluded: chain D residue 831 ARG Chi-restraints excluded: chain D residue 840 VAL Chi-restraints excluded: chain D residue 870 ILE Chi-restraints excluded: chain D residue 921 ASN Chi-restraints excluded: chain D residue 932 LEU Chi-restraints excluded: chain D residue 961 MET Chi-restraints excluded: chain D residue 1043 VAL Chi-restraints excluded: chain D residue 1072 VAL Chi-restraints excluded: chain D residue 1074 ILE Chi-restraints excluded: chain D residue 1085 SER Chi-restraints excluded: chain D residue 1087 ARG Chi-restraints excluded: chain D residue 1093 GLU Chi-restraints excluded: chain D residue 1095 VAL Chi-restraints excluded: chain D residue 1106 ARG Chi-restraints excluded: chain D residue 1113 VAL Chi-restraints excluded: chain D residue 1123 VAL Chi-restraints excluded: chain D residue 1127 HIS Chi-restraints excluded: chain D residue 1131 ARG Chi-restraints excluded: chain D residue 1137 GLU Chi-restraints excluded: chain D residue 1139 PHE Chi-restraints excluded: chain D residue 1143 TRP Chi-restraints excluded: chain D residue 1145 SER Chi-restraints excluded: chain D residue 1147 ASP Chi-restraints excluded: chain D residue 1151 CYS Chi-restraints excluded: chain D residue 1152 MET Chi-restraints excluded: chain D residue 1153 ILE Chi-restraints excluded: chain D residue 1154 ASP Chi-restraints excluded: chain D residue 1155 LEU Chi-restraints excluded: chain D residue 1163 THR Chi-restraints excluded: chain D residue 1164 LEU Chi-restraints excluded: chain D residue 1168 VAL Chi-restraints excluded: chain D residue 1169 LEU Chi-restraints excluded: chain D residue 1173 SER Chi-restraints excluded: chain D residue 1182 ILE Chi-restraints excluded: chain D residue 1190 PRO Chi-restraints excluded: chain D residue 1192 CYS Chi-restraints excluded: chain D residue 1193 SER Chi-restraints excluded: chain D residue 1198 GLN Chi-restraints excluded: chain D residue 1202 LEU Chi-restraints excluded: chain D residue 1204 LEU Chi-restraints excluded: chain D residue 1208 VAL Chi-restraints excluded: chain D residue 1219 LEU Chi-restraints excluded: chain D residue 1234 VAL Chi-restraints excluded: chain D residue 1238 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 1259 ARG Chi-restraints excluded: chain D residue 1260 MET Chi-restraints excluded: chain D residue 1269 CYS Chi-restraints excluded: chain D residue 1271 ARG Chi-restraints excluded: chain D residue 1272 LEU Chi-restraints excluded: chain D residue 1282 SER Chi-restraints excluded: chain D residue 1283 LEU Chi-restraints excluded: chain D residue 1287 LEU Chi-restraints excluded: chain D residue 1431 THR Chi-restraints excluded: chain D residue 1437 VAL Chi-restraints excluded: chain D residue 1439 VAL Chi-restraints excluded: chain D residue 1453 VAL Chi-restraints excluded: chain D residue 1457 TYR Chi-restraints excluded: chain D residue 1460 HIS Chi-restraints excluded: chain D residue 1466 LEU Chi-restraints excluded: chain D residue 1467 SER Chi-restraints excluded: chain D residue 1469 VAL Chi-restraints excluded: chain D residue 1472 VAL Chi-restraints excluded: chain D residue 1483 VAL Chi-restraints excluded: chain D residue 1485 SER Chi-restraints excluded: chain D residue 1486 SER Chi-restraints excluded: chain D residue 1576 SER Chi-restraints excluded: chain D residue 1580 PHE Chi-restraints excluded: chain D residue 1595 LEU Chi-restraints excluded: chain D residue 1597 VAL Chi-restraints excluded: chain D residue 1599 MET Chi-restraints excluded: chain D residue 1600 LEU Chi-restraints excluded: chain D residue 1603 VAL Chi-restraints excluded: chain D residue 1607 ARG Chi-restraints excluded: chain D residue 1610 ASN Chi-restraints excluded: chain D residue 1634 LEU Chi-restraints excluded: chain D residue 1641 ILE Chi-restraints excluded: chain D residue 1642 PRO Chi-restraints excluded: chain D residue 1647 CYS Chi-restraints excluded: chain D residue 1657 LEU Chi-restraints excluded: chain D residue 1666 THR Chi-restraints excluded: chain D residue 1671 ARG Chi-restraints excluded: chain D residue 1673 VAL Chi-restraints excluded: chain D residue 1679 ASN Chi-restraints excluded: chain D residue 1685 LEU Chi-restraints excluded: chain D residue 1687 SER Chi-restraints excluded: chain D residue 1689 VAL Chi-restraints excluded: chain D residue 1698 LEU Chi-restraints excluded: chain D residue 1699 GLU Chi-restraints excluded: chain D residue 1700 ASP Chi-restraints excluded: chain D residue 1704 PRO Chi-restraints excluded: chain D residue 1706 PRO Chi-restraints excluded: chain D residue 1717 SER Chi-restraints excluded: chain D residue 1720 LEU Chi-restraints excluded: chain D residue 1733 GLU Chi-restraints excluded: chain D residue 1736 VAL Chi-restraints excluded: chain D residue 1738 LEU Chi-restraints excluded: chain D residue 1739 THR Chi-restraints excluded: chain D residue 1760 HIS Chi-restraints excluded: chain D residue 1770 SER Chi-restraints excluded: chain D residue 1771 LEU 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 1802 ILE Chi-restraints excluded: chain D residue 1812 LEU Chi-restraints excluded: chain D residue 1815 LEU Chi-restraints excluded: chain D residue 1830 VAL Chi-restraints excluded: chain D residue 1834 VAL Chi-restraints excluded: chain D residue 1849 LEU Chi-restraints excluded: chain D residue 1857 GLU Chi-restraints excluded: chain D residue 1858 ASP Chi-restraints excluded: chain D residue 1869 GLU Chi-restraints excluded: chain D residue 1872 THR Chi-restraints excluded: chain D residue 1873 GLU Chi-restraints excluded: chain D residue 1929 MET Chi-restraints excluded: chain D residue 1930 LYS Chi-restraints excluded: chain D residue 1934 SER Chi-restraints excluded: chain D residue 1955 VAL Chi-restraints excluded: chain D residue 1961 PHE Chi-restraints excluded: chain D residue 1966 VAL Chi-restraints excluded: chain D residue 1969 LEU Chi-restraints excluded: chain D residue 1993 ARG Chi-restraints excluded: chain D residue 1996 ARG Chi-restraints excluded: chain D residue 2020 ASP Chi-restraints excluded: chain D residue 2027 ILE Chi-restraints excluded: chain D residue 2037 ASP Chi-restraints excluded: chain D residue 2039 LEU Chi-restraints excluded: chain D residue 2093 SER Chi-restraints excluded: chain D residue 2094 LEU Chi-restraints excluded: chain D residue 2095 GLN Chi-restraints excluded: chain D residue 2097 LEU Chi-restraints excluded: chain D residue 2098 VAL Chi-restraints excluded: chain D residue 2110 TYR Chi-restraints excluded: chain D residue 2111 VAL Chi-restraints excluded: chain D residue 2122 SER Chi-restraints excluded: chain D residue 2136 ARG 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 2156 LEU Chi-restraints excluded: chain D residue 2161 GLN Chi-restraints excluded: chain D residue 2166 LEU Chi-restraints excluded: chain D residue 2167 ILE Chi-restraints excluded: chain D residue 2169 GLN Chi-restraints excluded: chain D residue 2170 MET Chi-restraints excluded: chain D residue 2173 GLN Chi-restraints excluded: chain D residue 2175 GLU Chi-restraints excluded: chain D residue 2186 MET Chi-restraints excluded: chain D residue 2187 ASN Chi-restraints excluded: chain D residue 2197 LEU Chi-restraints excluded: chain D residue 2199 ARG Chi-restraints excluded: chain D residue 2221 LYS Chi-restraints excluded: chain D residue 2227 LYS Chi-restraints excluded: chain D residue 2228 MET Chi-restraints excluded: chain D residue 2229 VAL Chi-restraints excluded: chain D residue 2230 THR Chi-restraints excluded: chain D residue 2231 SER Chi-restraints excluded: chain D residue 2238 TYR Chi-restraints excluded: chain D residue 2241 ARG Chi-restraints excluded: chain D residue 2242 ILE Chi-restraints excluded: chain D residue 2244 ARG Chi-restraints excluded: chain D residue 2270 SER Chi-restraints excluded: chain D residue 2274 ASP Chi-restraints excluded: chain D residue 2275 VAL Chi-restraints excluded: chain D residue 2280 VAL Chi-restraints excluded: chain D residue 2281 ILE Chi-restraints excluded: chain D residue 2290 LEU Chi-restraints excluded: chain D residue 2293 GLN Chi-restraints excluded: chain D residue 2294 ASP Chi-restraints excluded: chain D residue 2295 LEU Chi-restraints excluded: chain D residue 2296 GLU Chi-restraints excluded: chain D residue 2299 VAL Chi-restraints excluded: chain D residue 2300 SER Chi-restraints excluded: chain D residue 2312 MET Chi-restraints excluded: chain D residue 2324 ASN Chi-restraints excluded: chain D residue 2333 ASP Chi-restraints excluded: chain D residue 2336 ARG Chi-restraints excluded: chain D residue 2341 VAL Chi-restraints excluded: chain D residue 2345 SER Chi-restraints excluded: chain D residue 2346 VAL Chi-restraints excluded: chain D residue 2352 VAL Chi-restraints excluded: chain D residue 2353 VAL Chi-restraints excluded: chain D residue 2368 LEU Chi-restraints excluded: chain D residue 2371 GLU Chi-restraints excluded: chain D residue 2377 LEU Chi-restraints excluded: chain D residue 2387 SER Chi-restraints excluded: chain D residue 2416 VAL Chi-restraints excluded: chain D residue 2423 MET Chi-restraints excluded: chain D residue 2430 ILE Chi-restraints excluded: chain D residue 2442 LEU Chi-restraints excluded: chain D residue 2454 ARG Chi-restraints excluded: chain D residue 2460 LEU Chi-restraints excluded: chain D residue 2461 VAL Chi-restraints excluded: chain D residue 2479 LEU Chi-restraints excluded: chain D residue 3644 LEU Chi-restraints excluded: chain D residue 3652 MET Chi-restraints excluded: chain D residue 3656 SER Chi-restraints excluded: chain D residue 3661 TRP Chi-restraints excluded: chain D residue 3662 ILE Chi-restraints excluded: chain D residue 3663 LEU Chi-restraints excluded: chain D residue 3669 PHE Chi-restraints excluded: chain D residue 3670 GLU Chi-restraints excluded: chain D residue 3678 SER Chi-restraints excluded: chain D residue 3694 LYS Chi-restraints excluded: chain D residue 3696 ASP Chi-restraints excluded: chain D residue 3707 ARG Chi-restraints excluded: chain D residue 3711 THR Chi-restraints excluded: chain D residue 3719 ASP Chi-restraints excluded: chain D residue 3732 SER Chi-restraints excluded: chain D residue 3733 CYS Chi-restraints excluded: chain D residue 3752 SER Chi-restraints excluded: chain D residue 3754 GLU Chi-restraints excluded: chain D residue 3757 GLU Chi-restraints excluded: chain D residue 3764 LEU Chi-restraints excluded: chain D residue 3772 THR Chi-restraints excluded: chain D residue 3779 VAL Chi-restraints excluded: chain D residue 3787 LYS Chi-restraints excluded: chain D residue 3793 MET Chi-restraints excluded: chain D residue 3795 SER Chi-restraints excluded: chain D residue 3803 SER Chi-restraints excluded: chain D residue 3822 ASP Chi-restraints excluded: chain D residue 3826 VAL Chi-restraints excluded: chain D residue 3837 GLN Chi-restraints excluded: chain D residue 3841 VAL Chi-restraints excluded: chain D residue 3852 LYS Chi-restraints excluded: chain D residue 3867 ASN Chi-restraints excluded: chain D residue 3869 GLN Chi-restraints excluded: chain D residue 3870 ASN Chi-restraints excluded: chain D residue 3872 GLU Chi-restraints excluded: chain D residue 3873 LYS Chi-restraints excluded: chain D residue 3874 VAL Chi-restraints excluded: chain D residue 3881 THR Chi-restraints excluded: chain D residue 3893 GLU Chi-restraints excluded: chain D residue 3904 ARG Chi-restraints excluded: chain D residue 3907 THR Chi-restraints excluded: chain D residue 3916 ILE Chi-restraints excluded: chain D residue 3924 LEU Chi-restraints excluded: chain D residue 3929 SER Chi-restraints excluded: chain D residue 3930 ILE Chi-restraints excluded: chain D residue 3933 PHE Chi-restraints excluded: chain D residue 3938 SER Chi-restraints excluded: chain D residue 3942 VAL Chi-restraints excluded: chain D residue 3945 GLU Chi-restraints excluded: chain D residue 3952 SER Chi-restraints excluded: chain D residue 3967 GLU Chi-restraints excluded: chain D residue 3969 ILE Chi-restraints excluded: chain D residue 3970 GLN Chi-restraints excluded: chain D residue 3995 VAL Chi-restraints excluded: chain D residue 4005 GLN Chi-restraints excluded: chain D residue 4008 SER Chi-restraints excluded: chain D residue 4014 LYS Chi-restraints excluded: chain D residue 4018 ASP 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 4048 LEU Chi-restraints excluded: chain D residue 4049 VAL Chi-restraints excluded: chain D residue 4051 SER Chi-restraints excluded: chain D residue 4052 SER Chi-restraints excluded: chain D residue 4053 SER Chi-restraints excluded: chain D residue 4055 VAL Chi-restraints excluded: chain D residue 4064 MET Chi-restraints excluded: chain D residue 4067 LYS Chi-restraints excluded: chain D residue 4069 LYS Chi-restraints excluded: chain D residue 4072 VAL Chi-restraints excluded: chain D residue 4075 GLU Chi-restraints excluded: chain D residue 4082 THR Chi-restraints excluded: chain D residue 4083 ASP Chi-restraints excluded: chain D residue 4088 ILE Chi-restraints excluded: chain D residue 4098 ASP Chi-restraints excluded: chain D residue 4100 GLN Chi-restraints excluded: chain D residue 4106 PRO Chi-restraints excluded: chain D residue 4107 GLU Chi-restraints excluded: chain D residue 4109 GLN Chi-restraints excluded: chain D residue 4110 PHE Chi-restraints excluded: chain D residue 4111 LEU Chi-restraints excluded: chain D residue 4112 LEU Chi-restraints excluded: chain D residue 4113 SER Chi-restraints excluded: chain D residue 4123 ILE Chi-restraints excluded: chain D residue 4125 PHE Chi-restraints excluded: chain D residue 4127 GLU Chi-restraints excluded: chain D residue 4135 PRO Chi-restraints excluded: chain D residue 4139 ILE Chi-restraints excluded: chain D residue 4145 VAL Chi-restraints excluded: chain D residue 4154 VAL Chi-restraints excluded: chain D residue 4159 ARG Chi-restraints excluded: chain D residue 4170 ILE Chi-restraints excluded: chain D residue 4172 GLU Chi-restraints excluded: chain D residue 4178 LEU Chi-restraints excluded: chain D residue 4184 MET Chi-restraints excluded: chain D residue 4196 GLU Chi-restraints excluded: chain D residue 4200 THR Chi-restraints excluded: chain D residue 4220 ASP Chi-restraints excluded: chain D residue 4221 VAL Chi-restraints excluded: chain D residue 4232 GLU Chi-restraints excluded: chain D residue 4242 ILE Chi-restraints excluded: chain D residue 4244 GLU Chi-restraints excluded: chain D residue 4251 ILE 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 4565 LEU Chi-restraints excluded: chain D residue 4582 VAL Chi-restraints excluded: chain D residue 4632 LEU Chi-restraints excluded: chain D residue 4634 GLU Chi-restraints excluded: chain D residue 4645 CYS Chi-restraints excluded: chain D residue 4647 SER Chi-restraints excluded: chain D residue 4653 VAL Chi-restraints excluded: chain D residue 4662 ASN Chi-restraints excluded: chain D residue 4667 PRO Chi-restraints excluded: chain D residue 4669 VAL Chi-restraints excluded: chain D residue 4688 ILE Chi-restraints excluded: chain D residue 4689 THR Chi-restraints excluded: chain D residue 4690 GLU Chi-restraints excluded: chain D residue 4694 ASP Chi-restraints excluded: chain D residue 4695 ASP Chi-restraints excluded: chain D residue 4698 LYS Chi-restraints excluded: chain D residue 4704 LEU Chi-restraints excluded: chain D residue 4707 ASN Chi-restraints excluded: chain D residue 4710 SER Chi-restraints excluded: chain D residue 4713 SER Chi-restraints excluded: chain D residue 4718 LYS Chi-restraints excluded: chain D residue 4722 ARG Chi-restraints excluded: chain D residue 4737 ILE Chi-restraints excluded: chain D residue 4741 LEU Chi-restraints excluded: chain D residue 4743 MET Chi-restraints excluded: chain D residue 4745 LEU Chi-restraints excluded: chain D residue 4766 THR Chi-restraints excluded: chain D residue 4788 SER Chi-restraints excluded: chain D residue 4816 ILE Chi-restraints excluded: chain D residue 4818 MET Chi-restraints excluded: chain D residue 4825 THR Chi-restraints excluded: chain D residue 4836 GLN Chi-restraints excluded: chain D residue 4838 VAL Chi-restraints excluded: chain D residue 4850 LEU Chi-restraints excluded: chain D residue 4869 GLU Chi-restraints excluded: chain D residue 4870 ASP Chi-restraints excluded: chain D residue 4874 MET Chi-restraints excluded: chain D residue 4879 MET Chi-restraints excluded: chain D residue 4880 MET Chi-restraints excluded: chain D residue 4881 THR Chi-restraints excluded: chain D residue 4901 ILE Chi-restraints excluded: chain D residue 4918 ILE Chi-restraints excluded: chain D residue 4919 THR Chi-restraints excluded: chain D residue 4948 GLU Chi-restraints excluded: chain D residue 4952 GLU Chi-restraints excluded: chain D residue 4954 MET Chi-restraints excluded: chain D residue 4956 THR Chi-restraints excluded: chain D residue 4957 LYS Chi-restraints excluded: chain D residue 4961 CYS Chi-restraints excluded: chain D residue 4965 SER Chi-restraints excluded: chain D residue 4966 ASP Chi-restraints excluded: chain D residue 4980 LEU Chi-restraints excluded: chain D residue 4992 LEU Chi-restraints excluded: chain D residue 5002 GLU Chi-restraints excluded: chain D residue 5008 SER Chi-restraints excluded: chain D residue 5023 PRO Rotamers are restrained with sigma=2.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 0 random chunks: chunk None optimal weight: 5.9990 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 297 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 379 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A 413 GLN ** A 624 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2260 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2268 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2444 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4094 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4806 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A5003 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 297 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 379 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B 413 GLN B 473 ASN ** B 624 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B1231 GLN ** B1443 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2193 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2260 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2268 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2444 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B3830 GLN ** B4094 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4806 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 297 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 379 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C 413 GLN ** C 624 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C1231 GLN ** C1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2193 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2260 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C2284 ASN ** C2444 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4094 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4806 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C5003 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 297 GLN ** 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 413 GLN ** D 624 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2193 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2260 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2444 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3869 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3946 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4094 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4806 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D5003 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 9 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7820 moved from start: 0.8856 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.060 0.668 113365 Z= 3.864 Angle : 2.904 42.523 154462 Z= 1.534 Chirality : 0.185 1.324 18087 Planarity : 0.021 0.437 20349 Dihedral : 14.404 177.207 17057 Min Nonbonded Distance : 0.684 Molprobity Statistics. All-atom Clashscore : 52.17 Ramachandran Plot: Outliers : 2.73 % Allowed : 26.22 % Favored : 71.05 % Rotamer: Outliers : 23.92 % Allowed : 24.48 % Favored : 51.60 % Cbeta Deviations : 0.99 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 5.85 % Twisted General : 2.93 % 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: -6.84 (0.05), residues: 12368 helix: -4.29 (0.04), residues: 5676 sheet: -3.59 (0.12), residues: 1336 loop : -5.06 (0.06), residues: 5356 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.067 0.012 TRP D4794 HIS 0.041 0.007 HIS C4650 PHE 0.096 0.013 PHE C1288 TYR 0.087 0.012 TYR A 359 ARG 0.032 0.003 ARG D4892 *********************** REFINEMENT MACRO_CYCLE 8 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 24736 Ramachandran restraints generated. 12368 Oldfield, 0 Emsley, 12368 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 24736 Ramachandran restraints generated. 12368 Oldfield, 0 Emsley, 12368 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3157 residues out of total 10876 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2325 poor density : 832 time to evaluate : 9.141 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: A 65 CYS cc_start: 0.8413 (m) cc_final: 0.7911 (t) REVERT: A 169 LEU cc_start: 0.7000 (OUTLIER) cc_final: 0.6628 (mt) REVERT: A 189 LEU cc_start: 0.8278 (OUTLIER) cc_final: 0.7954 (mt) REVERT: A 197 GLN cc_start: 0.8470 (OUTLIER) cc_final: 0.8184 (tt0) REVERT: A 218 HIS cc_start: 0.7360 (OUTLIER) cc_final: 0.6967 (m90) REVERT: A 246 TYR cc_start: 0.6833 (m-80) cc_final: 0.6455 (m-80) REVERT: A 276 TRP cc_start: 0.5960 (OUTLIER) cc_final: 0.5710 (m-10) REVERT: A 281 ARG cc_start: 0.5738 (OUTLIER) cc_final: 0.4578 (mtp180) REVERT: A 317 ARG cc_start: 0.7499 (OUTLIER) cc_final: 0.6384 (mmp80) REVERT: A 334 MET cc_start: 0.6943 (OUTLIER) cc_final: 0.6287 (mmp) REVERT: A 346 CYS cc_start: 0.6170 (OUTLIER) cc_final: 0.5412 (p) REVERT: A 392 ARG cc_start: 0.5786 (OUTLIER) cc_final: 0.5277 (ptt-90) REVERT: A 481 GLU cc_start: 0.7951 (OUTLIER) cc_final: 0.7289 (mp0) REVERT: A 484 LEU cc_start: 0.8652 (OUTLIER) cc_final: 0.8446 (tt) REVERT: A 510 GLU cc_start: 0.6713 (OUTLIER) cc_final: 0.6321 (mm-30) REVERT: A 513 GLU cc_start: 0.8171 (mp0) cc_final: 0.7837 (mp0) REVERT: A 521 LEU cc_start: 0.8805 (OUTLIER) cc_final: 0.8050 (mp) REVERT: A 575 LEU cc_start: 0.9005 (OUTLIER) cc_final: 0.8772 (mp) REVERT: A 625 LEU cc_start: 0.6112 (OUTLIER) cc_final: 0.5250 (tp) REVERT: A 629 ARG cc_start: 0.8541 (OUTLIER) cc_final: 0.6519 (mmt90) REVERT: A 663 TYR cc_start: 0.4055 (OUTLIER) cc_final: 0.1337 (t80) REVERT: A 667 MET cc_start: 0.6786 (OUTLIER) cc_final: 0.6118 (tmm) REVERT: A 710 ASP cc_start: 0.8273 (OUTLIER) cc_final: 0.8014 (p0) REVERT: A 800 PHE cc_start: 0.6718 (OUTLIER) cc_final: 0.5641 (m-10) REVERT: A 801 LYS cc_start: 0.7861 (OUTLIER) cc_final: 0.6624 (mmtt) REVERT: A 802 PHE cc_start: 0.6746 (OUTLIER) cc_final: 0.5942 (m-80) REVERT: A 822 ARG cc_start: 0.6668 (OUTLIER) cc_final: 0.5417 (ptt-90) REVERT: A 831 ARG cc_start: 0.7767 (OUTLIER) cc_final: 0.7333 (ptp-110) REVERT: A 933 LEU cc_start: 0.4063 (OUTLIER) cc_final: 0.3778 (pp) REVERT: A 961 MET cc_start: 0.5097 (OUTLIER) cc_final: 0.4028 (ptt) REVERT: A 1029 GLU cc_start: 0.4224 (OUTLIER) cc_final: 0.3785 (mp0) REVERT: A 1106 ARG cc_start: 0.8274 (OUTLIER) cc_final: 0.7931 (mmt-90) REVERT: A 1127 HIS cc_start: 0.6516 (OUTLIER) cc_final: 0.5838 (t70) REVERT: A 1128 ARG cc_start: 0.8272 (OUTLIER) cc_final: 0.7847 (tpp-160) REVERT: A 1137 GLU cc_start: 0.7989 (OUTLIER) cc_final: 0.7524 (mm-30) REVERT: A 1259 ARG cc_start: 0.8547 (OUTLIER) cc_final: 0.7554 (mtt90) REVERT: A 1271 ARG cc_start: 0.7673 (OUTLIER) cc_final: 0.7093 (ttp-110) REVERT: A 1580 PHE cc_start: 0.8497 (OUTLIER) cc_final: 0.6360 (t80) REVERT: A 1600 LEU cc_start: 0.8914 (OUTLIER) cc_final: 0.7933 (tp) REVERT: A 1654 SER cc_start: 0.8473 (OUTLIER) cc_final: 0.8098 (t) REVERT: A 1657 LEU cc_start: 0.9305 (OUTLIER) cc_final: 0.9028 (mp) REVERT: A 1671 ARG cc_start: 0.8651 (OUTLIER) cc_final: 0.8057 (mtm-85) REVERT: A 1700 ASP cc_start: 0.8598 (OUTLIER) cc_final: 0.8195 (m-30) REVERT: A 1720 LEU cc_start: 0.9051 (OUTLIER) cc_final: 0.8336 (mp) REVERT: A 1733 GLU cc_start: 0.8249 (OUTLIER) cc_final: 0.7148 (mt-10) REVERT: A 1772 ARG cc_start: 0.8784 (OUTLIER) cc_final: 0.8461 (mtt-85) REVERT: A 1815 LEU cc_start: 0.9054 (OUTLIER) cc_final: 0.8315 (mp) REVERT: A 1930 LYS cc_start: 0.8673 (OUTLIER) cc_final: 0.8101 (ttpp) REVERT: A 2039 LEU cc_start: 0.8659 (OUTLIER) cc_final: 0.8242 (mp) REVERT: A 2092 GLN cc_start: 0.7601 (mm-40) cc_final: 0.7352 (mm-40) REVERT: A 2161 GLN cc_start: 0.8699 (OUTLIER) cc_final: 0.7811 (tm-30) REVERT: A 2169 GLN cc_start: 0.8771 (OUTLIER) cc_final: 0.8022 (tt0) REVERT: A 2170 MET cc_start: 0.7718 (OUTLIER) cc_final: 0.6818 (tmm) REVERT: A 2197 LEU cc_start: 0.8489 (OUTLIER) cc_final: 0.8157 (mp) REVERT: A 2199 ARG cc_start: 0.8490 (OUTLIER) cc_final: 0.7273 (mtm-85) REVERT: A 2221 LYS cc_start: 0.6534 (OUTLIER) cc_final: 0.6056 (tttt) REVERT: A 2225 PHE cc_start: 0.7856 (OUTLIER) cc_final: 0.7625 (m-80) REVERT: A 2227 LYS cc_start: 0.8656 (OUTLIER) cc_final: 0.8306 (ttmm) REVERT: A 2244 ARG cc_start: 0.8072 (OUTLIER) cc_final: 0.7330 (mtp85) REVERT: A 2259 GLU cc_start: 0.8477 (OUTLIER) cc_final: 0.7749 (pm20) REVERT: A 2284 ASN cc_start: 0.7823 (OUTLIER) cc_final: 0.7162 (t0) REVERT: A 2295 LEU cc_start: 0.7939 (OUTLIER) cc_final: 0.7593 (mm) REVERT: A 2296 GLU cc_start: 0.8806 (OUTLIER) cc_final: 0.8334 (tp30) REVERT: A 2330 ARG cc_start: 0.8408 (OUTLIER) cc_final: 0.7497 (mpt-90) REVERT: A 2416 VAL cc_start: 0.8119 (OUTLIER) cc_final: 0.7885 (t) REVERT: A 2458 ARG cc_start: 0.7340 (OUTLIER) cc_final: 0.6864 (tpm170) REVERT: A 3669 PHE cc_start: 0.8607 (OUTLIER) cc_final: 0.8095 (p90) REVERT: A 3670 GLU cc_start: 0.8521 (OUTLIER) cc_final: 0.7980 (mp0) REVERT: A 3694 LYS cc_start: 0.8388 (OUTLIER) cc_final: 0.7603 (ptmm) REVERT: A 3707 ARG cc_start: 0.8451 (OUTLIER) cc_final: 0.7653 (ptt90) REVERT: A 3756 LYS cc_start: 0.7051 (OUTLIER) cc_final: 0.6830 (pttt) REVERT: A 3758 MET cc_start: 0.7633 (tpp) cc_final: 0.7204 (tpp) REVERT: A 3787 LYS cc_start: 0.9193 (OUTLIER) cc_final: 0.8660 (mttp) REVERT: A 3837 GLN cc_start: 0.9015 (OUTLIER) cc_final: 0.8562 (mt0) REVERT: A 3904 ARG cc_start: 0.9186 (OUTLIER) cc_final: 0.8736 (ttp-110) REVERT: A 3916 ILE cc_start: 0.8825 (OUTLIER) cc_final: 0.8594 (mt) REVERT: A 3924 LEU cc_start: 0.8967 (OUTLIER) cc_final: 0.8597 (tt) REVERT: A 3970 GLN cc_start: 0.8241 (OUTLIER) cc_final: 0.7867 (tt0) REVERT: A 4005 GLN cc_start: 0.7027 (OUTLIER) cc_final: 0.6162 (mt0) REVERT: A 4015 GLU cc_start: 0.7875 (OUTLIER) cc_final: 0.7515 (mm-30) REVERT: A 4026 MET cc_start: 0.8894 (OUTLIER) cc_final: 0.8502 (tmm) REVERT: A 4100 GLN cc_start: 0.5344 (OUTLIER) cc_final: 0.4596 (mm110) REVERT: A 4102 GLN cc_start: 0.4729 (OUTLIER) cc_final: 0.4181 (pt0) REVERT: A 4103 PHE cc_start: 0.7267 (OUTLIER) cc_final: 0.6779 (t80) REVERT: A 4110 PHE cc_start: 0.3318 (OUTLIER) cc_final: 0.2620 (m-80) REVERT: A 4125 PHE cc_start: 0.2127 (OUTLIER) cc_final: 0.1204 (p90) REVERT: A 4135 PRO cc_start: 0.7588 (OUTLIER) cc_final: 0.7299 (Cg_endo) REVERT: A 4159 ARG cc_start: 0.8822 (OUTLIER) cc_final: 0.8138 (mtm-85) REVERT: A 4172 GLU cc_start: 0.8264 (OUTLIER) cc_final: 0.7511 (mp0) REVERT: A 4196 GLU cc_start: 0.8830 (OUTLIER) cc_final: 0.8618 (tt0) REVERT: A 4232 GLU cc_start: 0.9020 (OUTLIER) cc_final: 0.8156 (tt0) REVERT: A 4244 GLU cc_start: 0.8921 (OUTLIER) cc_final: 0.8073 (mm-30) REVERT: A 4632 LEU cc_start: 0.8803 (OUTLIER) cc_final: 0.8462 (tt) REVERT: A 4704 LEU cc_start: 0.9456 (OUTLIER) cc_final: 0.9066 (mp) REVERT: A 4718 LYS cc_start: 0.8904 (OUTLIER) cc_final: 0.8598 (mmtm) REVERT: A 4741 LEU cc_start: 0.9237 (OUTLIER) cc_final: 0.8725 (mp) REVERT: A 4796 MET cc_start: 0.8917 (OUTLIER) cc_final: 0.8047 (tpt) REVERT: A 4836 GLN cc_start: 0.9153 (OUTLIER) cc_final: 0.8345 (mt0) REVERT: A 4839 MET cc_start: 0.9227 (mmm) cc_final: 0.8977 (mtp) REVERT: A 4948 GLU cc_start: 0.8802 (OUTLIER) cc_final: 0.8182 (mp0) REVERT: B 32 GLN cc_start: 0.6740 (OUTLIER) cc_final: 0.5928 (mt0) REVERT: B 65 CYS cc_start: 0.8368 (m) cc_final: 0.7908 (t) REVERT: B 169 LEU cc_start: 0.7074 (OUTLIER) cc_final: 0.6729 (mt) REVERT: B 189 LEU cc_start: 0.8262 (OUTLIER) cc_final: 0.8013 (mt) REVERT: B 197 GLN cc_start: 0.8469 (OUTLIER) cc_final: 0.8165 (tt0) REVERT: B 218 HIS cc_start: 0.7464 (OUTLIER) cc_final: 0.7078 (m90) REVERT: B 317 ARG cc_start: 0.7462 (OUTLIER) cc_final: 0.6321 (mmp80) REVERT: B 334 MET cc_start: 0.6929 (OUTLIER) cc_final: 0.5953 (mmp) REVERT: B 346 CYS cc_start: 0.6232 (OUTLIER) cc_final: 0.5687 (p) REVERT: B 392 ARG cc_start: 0.5980 (OUTLIER) cc_final: 0.5585 (ptt-90) REVERT: B 396 GLU cc_start: 0.7164 (OUTLIER) cc_final: 0.6833 (pp20) REVERT: B 521 LEU cc_start: 0.8805 (OUTLIER) cc_final: 0.8049 (mp) REVERT: B 575 LEU cc_start: 0.9008 (OUTLIER) cc_final: 0.8774 (mp) REVERT: B 625 LEU cc_start: 0.6139 (OUTLIER) cc_final: 0.5349 (tp) REVERT: B 629 ARG cc_start: 0.8541 (OUTLIER) cc_final: 0.6580 (mmt90) REVERT: B 663 TYR cc_start: 0.4109 (OUTLIER) cc_final: 0.1327 (t80) REVERT: B 710 ASP cc_start: 0.8262 (OUTLIER) cc_final: 0.8015 (p0) REVERT: B 714 TYR cc_start: 0.6823 (OUTLIER) cc_final: 0.6106 (m-80) REVERT: B 768 PHE cc_start: 0.6700 (OUTLIER) cc_final: 0.5506 (m-80) REVERT: B 788 LYS cc_start: 0.5894 (OUTLIER) cc_final: 0.5548 (mtmt) REVERT: B 800 PHE cc_start: 0.6656 (OUTLIER) cc_final: 0.5554 (m-10) REVERT: B 801 LYS cc_start: 0.7837 (OUTLIER) cc_final: 0.6820 (mmtt) REVERT: B 802 PHE cc_start: 0.6698 (OUTLIER) cc_final: 0.5832 (m-80) REVERT: B 831 ARG cc_start: 0.7791 (OUTLIER) cc_final: 0.7314 (ptp-110) REVERT: B 933 LEU cc_start: 0.4079 (OUTLIER) cc_final: 0.3789 (pp) REVERT: B 1122 TYR cc_start: 0.7953 (m-80) cc_final: 0.7570 (m-10) REVERT: B 1127 HIS cc_start: 0.6628 (OUTLIER) cc_final: 0.5974 (t70) REVERT: B 1131 ARG cc_start: 0.7460 (OUTLIER) cc_final: 0.7219 (ptt180) REVERT: B 1137 GLU cc_start: 0.7902 (OUTLIER) cc_final: 0.7357 (mm-30) REVERT: B 1198 GLN cc_start: 0.7624 (OUTLIER) cc_final: 0.7305 (mp10) REVERT: B 1219 LEU cc_start: 0.7866 (OUTLIER) cc_final: 0.7235 (mm) REVERT: B 1259 ARG cc_start: 0.8571 (OUTLIER) cc_final: 0.7756 (mtt90) REVERT: B 1271 ARG cc_start: 0.7685 (OUTLIER) cc_final: 0.7087 (ttp-110) REVERT: B 1457 TYR cc_start: 0.7890 (OUTLIER) cc_final: 0.7557 (m-80) REVERT: B 1580 PHE cc_start: 0.8613 (OUTLIER) cc_final: 0.6575 (t80) REVERT: B 1583 GLU cc_start: 0.5916 (OUTLIER) cc_final: 0.4356 (mm-30) REVERT: B 1600 LEU cc_start: 0.8895 (OUTLIER) cc_final: 0.7891 (tp) REVERT: B 1657 LEU cc_start: 0.9302 (OUTLIER) cc_final: 0.9017 (mp) REVERT: B 1668 ARG cc_start: 0.9075 (OUTLIER) cc_final: 0.8382 (ttm-80) REVERT: B 1671 ARG cc_start: 0.8646 (OUTLIER) cc_final: 0.8054 (mtm-85) REVERT: B 1700 ASP cc_start: 0.8626 (OUTLIER) cc_final: 0.8229 (m-30) REVERT: B 1720 LEU cc_start: 0.9054 (OUTLIER) cc_final: 0.8340 (mp) REVERT: B 1733 GLU cc_start: 0.8265 (OUTLIER) cc_final: 0.7158 (mt-10) REVERT: B 1772 ARG cc_start: 0.8792 (OUTLIER) cc_final: 0.8436 (mtt-85) REVERT: B 1782 PHE cc_start: 0.7526 (OUTLIER) cc_final: 0.7054 (p90) REVERT: B 1815 LEU cc_start: 0.9049 (OUTLIER) cc_final: 0.8310 (mp) REVERT: B 1869 GLU cc_start: 0.8706 (OUTLIER) cc_final: 0.8461 (tm-30) REVERT: B 1873 GLU cc_start: 0.6447 (OUTLIER) cc_final: 0.6149 (tm-30) REVERT: B 1996 ARG cc_start: 0.6706 (OUTLIER) cc_final: 0.5892 (ptm160) REVERT: B 2039 LEU cc_start: 0.8677 (OUTLIER) cc_final: 0.8271 (mp) REVERT: B 2092 GLN cc_start: 0.7547 (mm-40) cc_final: 0.7278 (mm110) REVERT: B 2161 GLN cc_start: 0.8703 (OUTLIER) cc_final: 0.7818 (tm-30) REVERT: B 2169 GLN cc_start: 0.8766 (OUTLIER) cc_final: 0.8023 (tt0) REVERT: B 2170 MET cc_start: 0.7707 (OUTLIER) cc_final: 0.6798 (tmm) REVERT: B 2197 LEU cc_start: 0.8495 (OUTLIER) cc_final: 0.8164 (mp) REVERT: B 2199 ARG cc_start: 0.8496 (OUTLIER) cc_final: 0.7263 (mtm-85) REVERT: B 2221 LYS cc_start: 0.6509 (OUTLIER) cc_final: 0.6025 (tttt) REVERT: B 2225 PHE cc_start: 0.7831 (OUTLIER) cc_final: 0.7591 (m-80) REVERT: B 2227 LYS cc_start: 0.8631 (OUTLIER) cc_final: 0.8299 (ttmm) REVERT: B 2244 ARG cc_start: 0.8100 (OUTLIER) cc_final: 0.7313 (mtp85) REVERT: B 2248 ARG cc_start: 0.7647 (OUTLIER) cc_final: 0.7051 (ttm-80) REVERT: B 2295 LEU cc_start: 0.7977 (OUTLIER) cc_final: 0.7585 (mm) REVERT: B 2296 GLU cc_start: 0.8703 (OUTLIER) cc_final: 0.8186 (tp30) REVERT: B 2330 ARG cc_start: 0.8387 (OUTLIER) cc_final: 0.7512 (mpt-90) REVERT: B 2377 LEU cc_start: 0.5140 (OUTLIER) cc_final: 0.4904 (mm) REVERT: B 2416 VAL cc_start: 0.8099 (OUTLIER) cc_final: 0.7874 (t) REVERT: B 2458 ARG cc_start: 0.7333 (OUTLIER) cc_final: 0.7034 (tpm170) REVERT: B 3670 GLU cc_start: 0.8516 (OUTLIER) cc_final: 0.8049 (mp0) REVERT: B 3694 LYS cc_start: 0.8465 (OUTLIER) cc_final: 0.7641 (ptmm) REVERT: B 3707 ARG cc_start: 0.8433 (OUTLIER) cc_final: 0.8188 (ttt90) REVERT: B 3758 MET cc_start: 0.7601 (tpp) cc_final: 0.7166 (tpp) REVERT: B 3837 GLN cc_start: 0.9011 (OUTLIER) cc_final: 0.8556 (mt0) REVERT: B 3872 GLU cc_start: 0.7950 (OUTLIER) cc_final: 0.7453 (pm20) REVERT: B 3904 ARG cc_start: 0.9185 (OUTLIER) cc_final: 0.8728 (ttp-110) REVERT: B 3916 ILE cc_start: 0.8818 (OUTLIER) cc_final: 0.8591 (mt) REVERT: B 3924 LEU cc_start: 0.8962 (OUTLIER) cc_final: 0.8592 (tt) REVERT: B 3970 GLN cc_start: 0.8218 (OUTLIER) cc_final: 0.7840 (tt0) REVERT: B 4005 GLN cc_start: 0.7020 (OUTLIER) cc_final: 0.6134 (mt0) REVERT: B 4014 LYS cc_start: 0.6191 (OUTLIER) cc_final: 0.5738 (ptmt) REVERT: B 4087 LEU cc_start: 0.5984 (OUTLIER) cc_final: 0.5778 (tp) REVERT: B 4100 GLN cc_start: 0.5352 (OUTLIER) cc_final: 0.4472 (mm-40) REVERT: B 4110 PHE cc_start: 0.3575 (OUTLIER) cc_final: 0.2866 (m-80) REVERT: B 4125 PHE cc_start: 0.2163 (OUTLIER) cc_final: 0.0760 (p90) REVERT: B 4135 PRO cc_start: 0.7588 (OUTLIER) cc_final: 0.7295 (Cg_endo) REVERT: B 4159 ARG cc_start: 0.8821 (OUTLIER) cc_final: 0.8090 (mtm-85) REVERT: B 4172 GLU cc_start: 0.8269 (OUTLIER) cc_final: 0.7509 (mp0) REVERT: B 4232 GLU cc_start: 0.9024 (OUTLIER) cc_final: 0.8167 (tt0) REVERT: B 4244 GLU cc_start: 0.8938 (OUTLIER) cc_final: 0.8108 (mm-30) REVERT: B 4568 PHE cc_start: 0.8808 (OUTLIER) cc_final: 0.7997 (t80) REVERT: B 4632 LEU cc_start: 0.8808 (OUTLIER) cc_final: 0.8462 (tt) REVERT: B 4700 GLN cc_start: 0.9196 (OUTLIER) cc_final: 0.8944 (mm-40) REVERT: B 4704 LEU cc_start: 0.9454 (OUTLIER) cc_final: 0.9061 (mp) REVERT: B 4718 LYS cc_start: 0.8893 (OUTLIER) cc_final: 0.8590 (mmtm) REVERT: B 4741 LEU cc_start: 0.9230 (OUTLIER) cc_final: 0.8719 (mp) REVERT: B 4796 MET cc_start: 0.8916 (OUTLIER) cc_final: 0.8034 (tpt) REVERT: B 4836 GLN cc_start: 0.9155 (OUTLIER) cc_final: 0.8348 (mt0) REVERT: B 4839 MET cc_start: 0.9235 (mmm) cc_final: 0.8955 (mtp) REVERT: B 4869 GLU cc_start: 0.9118 (OUTLIER) cc_final: 0.8415 (tm-30) REVERT: B 4948 GLU cc_start: 0.8821 (OUTLIER) cc_final: 0.8160 (mp0) REVERT: C 23 GLN cc_start: 0.7172 (OUTLIER) cc_final: 0.6962 (pt0) REVERT: C 32 GLN cc_start: 0.6750 (OUTLIER) cc_final: 0.5978 (mt0) REVERT: C 65 CYS cc_start: 0.8419 (m) cc_final: 0.7929 (t) REVERT: C 169 LEU cc_start: 0.7048 (OUTLIER) cc_final: 0.6685 (mt) REVERT: C 197 GLN cc_start: 0.8410 (OUTLIER) cc_final: 0.7940 (tt0) REVERT: C 218 HIS cc_start: 0.7321 (OUTLIER) cc_final: 0.6964 (m90) REVERT: C 246 TYR cc_start: 0.6886 (m-80) cc_final: 0.6534 (m-80) REVERT: C 317 ARG cc_start: 0.7479 (OUTLIER) cc_final: 0.6359 (mmp80) REVERT: C 334 MET cc_start: 0.6936 (OUTLIER) cc_final: 0.5976 (mmp) REVERT: C 346 CYS cc_start: 0.6159 (OUTLIER) cc_final: 0.5385 (p) REVERT: C 392 ARG cc_start: 0.5937 (OUTLIER) cc_final: 0.5530 (ptt-90) REVERT: C 396 GLU cc_start: 0.7182 (OUTLIER) cc_final: 0.6864 (pp20) REVERT: C 481 GLU cc_start: 0.7937 (OUTLIER) cc_final: 0.7271 (mp0) REVERT: C 484 LEU cc_start: 0.8645 (OUTLIER) cc_final: 0.8434 (tt) REVERT: C 521 LEU cc_start: 0.8807 (OUTLIER) cc_final: 0.8058 (mp) REVERT: C 575 LEU cc_start: 0.9010 (OUTLIER) cc_final: 0.8771 (mp) REVERT: C 590 LEU cc_start: 0.9038 (OUTLIER) cc_final: 0.8804 (mt) REVERT: C 625 LEU cc_start: 0.6203 (OUTLIER) cc_final: 0.5452 (tp) REVERT: C 629 ARG cc_start: 0.8554 (OUTLIER) cc_final: 0.6592 (mmt90) REVERT: C 663 TYR cc_start: 0.4045 (OUTLIER) cc_final: 0.1207 (t80) REVERT: C 710 ASP cc_start: 0.8257 (OUTLIER) cc_final: 0.7982 (p0) REVERT: C 788 LYS cc_start: 0.5844 (OUTLIER) cc_final: 0.5464 (mtmt) REVERT: C 800 PHE cc_start: 0.6802 (OUTLIER) cc_final: 0.5627 (m-80) REVERT: C 801 LYS cc_start: 0.7866 (OUTLIER) cc_final: 0.6750 (mmtm) REVERT: C 802 PHE cc_start: 0.6713 (OUTLIER) cc_final: 0.5815 (m-80) REVERT: C 831 ARG cc_start: 0.7791 (OUTLIER) cc_final: 0.7353 (ptp-110) REVERT: C 933 LEU cc_start: 0.4254 (OUTLIER) cc_final: 0.4009 (pp) REVERT: C 1106 ARG cc_start: 0.8276 (OUTLIER) cc_final: 0.7779 (mmt-90) REVERT: C 1127 HIS cc_start: 0.6769 (OUTLIER) cc_final: 0.6025 (t70) REVERT: C 1131 ARG cc_start: 0.7430 (OUTLIER) cc_final: 0.7211 (ptt180) REVERT: C 1137 GLU cc_start: 0.7908 (OUTLIER) cc_final: 0.7379 (mm-30) REVERT: C 1198 GLN cc_start: 0.7638 (OUTLIER) cc_final: 0.7385 (mp10) REVERT: C 1219 LEU cc_start: 0.7838 (OUTLIER) cc_final: 0.7227 (mm) REVERT: C 1259 ARG cc_start: 0.8547 (OUTLIER) cc_final: 0.7662 (mtt90) REVERT: C 1271 ARG cc_start: 0.7651 (OUTLIER) cc_final: 0.7020 (ttp-110) REVERT: C 1600 LEU cc_start: 0.8896 (OUTLIER) cc_final: 0.7879 (tp) REVERT: C 1626 TRP cc_start: 0.6389 (m-90) cc_final: 0.6133 (m-90) REVERT: C 1657 LEU cc_start: 0.9302 (OUTLIER) cc_final: 0.9022 (mp) REVERT: C 1668 ARG cc_start: 0.9074 (OUTLIER) cc_final: 0.8380 (ttm-80) REVERT: C 1671 ARG cc_start: 0.8648 (OUTLIER) cc_final: 0.8054 (mtm-85) REVERT: C 1700 ASP cc_start: 0.8618 (OUTLIER) cc_final: 0.8229 (m-30) REVERT: C 1720 LEU cc_start: 0.9060 (OUTLIER) cc_final: 0.8348 (mp) REVERT: C 1733 GLU cc_start: 0.8245 (OUTLIER) cc_final: 0.7133 (mt-10) REVERT: C 1772 ARG cc_start: 0.8795 (OUTLIER) cc_final: 0.8451 (mtt-85) REVERT: C 1782 PHE cc_start: 0.7237 (OUTLIER) cc_final: 0.6827 (p90) REVERT: C 1815 LEU cc_start: 0.9054 (OUTLIER) cc_final: 0.8319 (mp) REVERT: C 1930 LYS cc_start: 0.8669 (OUTLIER) cc_final: 0.8139 (ttpp) REVERT: C 2039 LEU cc_start: 0.8660 (OUTLIER) cc_final: 0.8287 (mp) REVERT: C 2092 GLN cc_start: 0.7606 (mm-40) cc_final: 0.7362 (mm-40) REVERT: C 2161 GLN cc_start: 0.8707 (OUTLIER) cc_final: 0.7821 (tm-30) REVERT: C 2169 GLN cc_start: 0.8771 (OUTLIER) cc_final: 0.8028 (tt0) REVERT: C 2170 MET cc_start: 0.7716 (OUTLIER) cc_final: 0.6803 (tmm) REVERT: C 2197 LEU cc_start: 0.8510 (OUTLIER) cc_final: 0.8185 (mp) REVERT: C 2199 ARG cc_start: 0.8488 (OUTLIER) cc_final: 0.7310 (mtm-85) REVERT: C 2221 LYS cc_start: 0.6528 (OUTLIER) cc_final: 0.6041 (tttt) REVERT: C 2225 PHE cc_start: 0.7821 (OUTLIER) cc_final: 0.7568 (m-80) REVERT: C 2227 LYS cc_start: 0.8658 (OUTLIER) cc_final: 0.8315 (ttmm) REVERT: C 2244 ARG cc_start: 0.8092 (OUTLIER) cc_final: 0.7332 (mtp85) REVERT: C 2248 ARG cc_start: 0.7554 (OUTLIER) cc_final: 0.7015 (ttm-80) REVERT: C 2295 LEU cc_start: 0.7904 (OUTLIER) cc_final: 0.7553 (mm) REVERT: C 2296 GLU cc_start: 0.8795 (OUTLIER) cc_final: 0.8318 (tp30) REVERT: C 2377 LEU cc_start: 0.5289 (OUTLIER) cc_final: 0.5071 (mm) REVERT: C 2416 VAL cc_start: 0.8098 (OUTLIER) cc_final: 0.7874 (t) REVERT: C 3670 GLU cc_start: 0.8546 (OUTLIER) cc_final: 0.8056 (mp0) REVERT: C 3694 LYS cc_start: 0.8492 (OUTLIER) cc_final: 0.7786 (ptmm) REVERT: C 3707 ARG cc_start: 0.8447 (OUTLIER) cc_final: 0.7652 (ptt90) REVERT: C 3758 MET cc_start: 0.7623 (tpp) cc_final: 0.7191 (tpp) REVERT: C 3837 GLN cc_start: 0.9011 (OUTLIER) cc_final: 0.8555 (mt0) REVERT: C 3873 LYS cc_start: 0.8221 (OUTLIER) cc_final: 0.7501 (tppt) REVERT: C 3904 ARG cc_start: 0.9186 (OUTLIER) cc_final: 0.8731 (ttp-110) REVERT: C 3916 ILE cc_start: 0.8818 (OUTLIER) cc_final: 0.8594 (mt) REVERT: C 3924 LEU cc_start: 0.8954 (OUTLIER) cc_final: 0.8590 (tt) REVERT: C 3970 GLN cc_start: 0.8230 (OUTLIER) cc_final: 0.7855 (tt0) REVERT: C 4005 GLN cc_start: 0.7026 (OUTLIER) cc_final: 0.6220 (mt0) REVERT: C 4014 LYS cc_start: 0.6099 (OUTLIER) cc_final: 0.5676 (ptmt) REVERT: C 4100 GLN cc_start: 0.5222 (OUTLIER) cc_final: 0.4320 (mm-40) REVERT: C 4110 PHE cc_start: 0.3584 (OUTLIER) cc_final: 0.2871 (m-80) REVERT: C 4125 PHE cc_start: 0.2012 (OUTLIER) cc_final: 0.0642 (p90) REVERT: C 4135 PRO cc_start: 0.7586 (OUTLIER) cc_final: 0.7298 (Cg_endo) REVERT: C 4159 ARG cc_start: 0.8824 (OUTLIER) cc_final: 0.8093 (mtm-85) REVERT: C 4172 GLU cc_start: 0.8263 (OUTLIER) cc_final: 0.7487 (mp0) REVERT: C 4202 ARG cc_start: 0.8408 (OUTLIER) cc_final: 0.6799 (tpp80) REVERT: C 4232 GLU cc_start: 0.9032 (OUTLIER) cc_final: 0.8174 (tt0) REVERT: C 4244 GLU cc_start: 0.8925 (OUTLIER) cc_final: 0.8095 (mm-30) REVERT: C 4632 LEU cc_start: 0.8780 (OUTLIER) cc_final: 0.8437 (tt) REVERT: C 4704 LEU cc_start: 0.9457 (OUTLIER) cc_final: 0.9063 (mp) REVERT: C 4718 LYS cc_start: 0.8898 (OUTLIER) cc_final: 0.8597 (mmtm) REVERT: C 4741 LEU cc_start: 0.9237 (OUTLIER) cc_final: 0.8762 (mp) REVERT: C 4836 GLN cc_start: 0.9157 (OUTLIER) cc_final: 0.8363 (mt0) REVERT: C 4839 MET cc_start: 0.9216 (mmm) cc_final: 0.8952 (mtp) REVERT: C 4869 GLU cc_start: 0.9145 (OUTLIER) cc_final: 0.8436 (tm-30) REVERT: C 4948 GLU cc_start: 0.8808 (OUTLIER) cc_final: 0.8108 (mp0) REVERT: C 4952 GLU cc_start: 0.8419 (OUTLIER) cc_final: 0.7229 (tm-30) REVERT: D 65 CYS cc_start: 0.8386 (m) cc_final: 0.7903 (t) REVERT: D 169 LEU cc_start: 0.7059 (OUTLIER) cc_final: 0.6708 (mt) REVERT: D 189 LEU cc_start: 0.8307 (OUTLIER) cc_final: 0.8001 (mt) REVERT: D 197 GLN cc_start: 0.8445 (OUTLIER) cc_final: 0.7966 (tt0) REVERT: D 218 HIS cc_start: 0.7464 (OUTLIER) cc_final: 0.7093 (m90) REVERT: D 246 TYR cc_start: 0.6854 (m-80) cc_final: 0.6589 (m-80) REVERT: D 317 ARG cc_start: 0.7517 (OUTLIER) cc_final: 0.6361 (mmp80) REVERT: D 334 MET cc_start: 0.6920 (OUTLIER) cc_final: 0.6325 (mmp) REVERT: D 346 CYS cc_start: 0.6246 (OUTLIER) cc_final: 0.5659 (p) REVERT: D 392 ARG cc_start: 0.5864 (OUTLIER) cc_final: 0.5422 (ptt-90) REVERT: D 396 GLU cc_start: 0.7530 (OUTLIER) cc_final: 0.7138 (pp20) REVERT: D 481 GLU cc_start: 0.7948 (OUTLIER) cc_final: 0.7283 (mp0) REVERT: D 484 LEU cc_start: 0.8664 (OUTLIER) cc_final: 0.8430 (tt) REVERT: D 510 GLU cc_start: 0.6640 (OUTLIER) cc_final: 0.5926 (mm-30) REVERT: D 513 GLU cc_start: 0.8397 (mp0) cc_final: 0.8090 (mp0) REVERT: D 521 LEU cc_start: 0.8805 (OUTLIER) cc_final: 0.8053 (mp) REVERT: D 575 LEU cc_start: 0.9010 (OUTLIER) cc_final: 0.8781 (mp) REVERT: D 625 LEU cc_start: 0.6228 (OUTLIER) cc_final: 0.5469 (tp) REVERT: D 629 ARG cc_start: 0.8552 (OUTLIER) cc_final: 0.6409 (mmt90) REVERT: D 645 ARG cc_start: 0.7130 (OUTLIER) cc_final: 0.6759 (ptm160) REVERT: D 662 TRP cc_start: 0.5404 (m100) cc_final: 0.4756 (m100) REVERT: D 710 ASP cc_start: 0.8303 (OUTLIER) cc_final: 0.8020 (p0) REVERT: D 757 PHE cc_start: 0.7498 (OUTLIER) cc_final: 0.7140 (m-80) REVERT: D 788 LYS cc_start: 0.5913 (OUTLIER) cc_final: 0.5538 (mtmt) REVERT: D 800 PHE cc_start: 0.6422 (OUTLIER) cc_final: 0.5457 (m-80) REVERT: D 801 LYS cc_start: 0.6659 (OUTLIER) cc_final: 0.6358 (mmtt) REVERT: D 831 ARG cc_start: 0.7768 (OUTLIER) cc_final: 0.7377 (ptp-110) REVERT: D 917 GLU cc_start: 0.1249 (OUTLIER) cc_final: 0.0643 (tt0) REVERT: D 961 MET cc_start: 0.4839 (OUTLIER) cc_final: 0.4331 (ptt) REVERT: D 1106 ARG cc_start: 0.8274 (OUTLIER) cc_final: 0.7909 (mmt-90) REVERT: D 1127 HIS cc_start: 0.6828 (OUTLIER) cc_final: 0.5952 (t70) REVERT: D 1131 ARG cc_start: 0.7335 (OUTLIER) cc_final: 0.6855 (ptt180) REVERT: D 1137 GLU cc_start: 0.7949 (OUTLIER) cc_final: 0.7459 (mm-30) REVERT: D 1152 MET cc_start: 0.7308 (OUTLIER) cc_final: 0.7057 (mmm) REVERT: D 1198 GLN cc_start: 0.7636 (OUTLIER) cc_final: 0.7346 (mp10) REVERT: D 1259 ARG cc_start: 0.8554 (OUTLIER) cc_final: 0.7864 (mtt90) REVERT: D 1271 ARG cc_start: 0.7636 (OUTLIER) cc_final: 0.6990 (ttp-110) REVERT: D 1580 PHE cc_start: 0.8501 (OUTLIER) cc_final: 0.6392 (t80) REVERT: D 1600 LEU cc_start: 0.8892 (OUTLIER) cc_final: 0.7872 (tp) REVERT: D 1671 ARG cc_start: 0.8642 (OUTLIER) cc_final: 0.8047 (mtm-85) REVERT: D 1700 ASP cc_start: 0.8616 (OUTLIER) cc_final: 0.8231 (m-30) REVERT: D 1720 LEU cc_start: 0.9056 (OUTLIER) cc_final: 0.8343 (mp) REVERT: D 1733 GLU cc_start: 0.8251 (OUTLIER) cc_final: 0.7146 (mt-10) REVERT: D 1771 LEU cc_start: 0.9194 (OUTLIER) cc_final: 0.8968 (mp) REVERT: D 1772 ARG cc_start: 0.8789 (OUTLIER) cc_final: 0.8477 (mtt-85) REVERT: D 1782 PHE cc_start: 0.7160 (OUTLIER) cc_final: 0.6699 (p90) REVERT: D 1815 LEU cc_start: 0.9023 (OUTLIER) cc_final: 0.8328 (mp) REVERT: D 1930 LYS cc_start: 0.8646 (OUTLIER) cc_final: 0.8087 (ttpp) REVERT: D 1981 MET cc_start: 0.5837 (mpp) cc_final: 0.4791 (ttm) REVERT: D 2039 LEU cc_start: 0.8678 (OUTLIER) cc_final: 0.8265 (mp) REVERT: D 2092 GLN cc_start: 0.7589 (mm-40) cc_final: 0.7350 (mm-40) REVERT: D 2161 GLN cc_start: 0.8702 (OUTLIER) cc_final: 0.7814 (tm-30) REVERT: D 2169 GLN cc_start: 0.8783 (OUTLIER) cc_final: 0.8038 (tt0) REVERT: D 2170 MET cc_start: 0.7743 (OUTLIER) cc_final: 0.6874 (tmm) REVERT: D 2173 GLN cc_start: 0.7940 (OUTLIER) cc_final: 0.7721 (tt0) REVERT: D 2197 LEU cc_start: 0.8493 (OUTLIER) cc_final: 0.8161 (mp) REVERT: D 2199 ARG cc_start: 0.8491 (OUTLIER) cc_final: 0.7277 (mtm-85) REVERT: D 2221 LYS cc_start: 0.6491 (OUTLIER) cc_final: 0.6005 (tttt) REVERT: D 2227 LYS cc_start: 0.8645 (OUTLIER) cc_final: 0.8306 (ttmm) REVERT: D 2244 ARG cc_start: 0.8103 (OUTLIER) cc_final: 0.7257 (mtp85) REVERT: D 2245 GLN cc_start: 0.8358 (OUTLIER) cc_final: 0.8000 (mp10) REVERT: D 2248 ARG cc_start: 0.7587 (OUTLIER) cc_final: 0.7049 (ttm-80) REVERT: D 2295 LEU cc_start: 0.7940 (OUTLIER) cc_final: 0.7594 (mm) REVERT: D 2296 GLU cc_start: 0.8809 (OUTLIER) cc_final: 0.8340 (tp30) REVERT: D 2330 ARG cc_start: 0.8408 (OUTLIER) cc_final: 0.7506 (mpt-90) REVERT: D 2377 LEU cc_start: 0.5348 (OUTLIER) cc_final: 0.5128 (mm) REVERT: D 2416 VAL cc_start: 0.8102 (OUTLIER) cc_final: 0.7875 (t) REVERT: D 2458 ARG cc_start: 0.7339 (OUTLIER) cc_final: 0.6910 (tpm170) REVERT: D 3670 GLU cc_start: 0.8543 (OUTLIER) cc_final: 0.8145 (mp0) REVERT: D 3694 LYS cc_start: 0.8518 (OUTLIER) cc_final: 0.8045 (ptmm) REVERT: D 3758 MET cc_start: 0.7614 (tpp) cc_final: 0.7190 (tpp) REVERT: D 3787 LYS cc_start: 0.9191 (OUTLIER) cc_final: 0.8621 (mttp) REVERT: D 3837 GLN cc_start: 0.9056 (OUTLIER) cc_final: 0.8646 (mt0) REVERT: D 3904 ARG cc_start: 0.9189 (OUTLIER) cc_final: 0.8733 (ttp-110) REVERT: D 3916 ILE cc_start: 0.8826 (OUTLIER) cc_final: 0.8598 (mt) REVERT: D 3924 LEU cc_start: 0.8966 (OUTLIER) cc_final: 0.8602 (tt) REVERT: D 3970 GLN cc_start: 0.8243 (OUTLIER) cc_final: 0.7841 (tt0) REVERT: D 4005 GLN cc_start: 0.7047 (OUTLIER) cc_final: 0.6220 (mt0) REVERT: D 4014 LYS cc_start: 0.6104 (OUTLIER) cc_final: 0.5651 (ptmt) REVERT: D 4069 LYS cc_start: 0.5338 (OUTLIER) cc_final: 0.5134 (tptm) REVERT: D 4100 GLN cc_start: 0.5339 (OUTLIER) cc_final: 0.4461 (mm-40) REVERT: D 4110 PHE cc_start: 0.3568 (OUTLIER) cc_final: 0.2866 (m-80) REVERT: D 4125 PHE cc_start: 0.2104 (OUTLIER) cc_final: 0.1094 (p90) REVERT: D 4135 PRO cc_start: 0.7586 (OUTLIER) cc_final: 0.7300 (Cg_endo) REVERT: D 4159 ARG cc_start: 0.8829 (OUTLIER) cc_final: 0.8133 (mtm-85) REVERT: D 4172 GLU cc_start: 0.8284 (OUTLIER) cc_final: 0.7546 (mp0) REVERT: D 4232 GLU cc_start: 0.9024 (OUTLIER) cc_final: 0.8163 (tt0) REVERT: D 4244 GLU cc_start: 0.8921 (OUTLIER) cc_final: 0.8068 (mm-30) REVERT: D 4632 LEU cc_start: 0.8804 (OUTLIER) cc_final: 0.8459 (tt) REVERT: D 4704 LEU cc_start: 0.9458 (OUTLIER) cc_final: 0.9058 (mp) REVERT: D 4718 LYS cc_start: 0.8904 (OUTLIER) cc_final: 0.8598 (mmtm) REVERT: D 4741 LEU cc_start: 0.9242 (OUTLIER) cc_final: 0.8765 (mp) REVERT: D 4836 GLN cc_start: 0.9155 (OUTLIER) cc_final: 0.8358 (mt0) REVERT: D 4839 MET cc_start: 0.9212 (mmm) cc_final: 0.8958 (mtp) REVERT: D 4874 MET cc_start: 0.9331 (OUTLIER) cc_final: 0.8272 (mmm) REVERT: D 4948 GLU cc_start: 0.8810 (OUTLIER) cc_final: 0.8150 (mp0) outliers start: 2325 outliers final: 1769 residues processed: 2926 average time/residue: 0.8799 time to fit residues: 4555.3702 Evaluate side-chains 2958 residues out of total 10876 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2132 poor density : 826 time to evaluate : 8.695 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 13 PHE Chi-restraints excluded: chain A residue 18 ASP Chi-restraints excluded: chain A residue 24 CYS Chi-restraints excluded: chain A residue 25 SER 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 47 CYS Chi-restraints excluded: chain A residue 54 ASN Chi-restraints excluded: chain A residue 58 VAL Chi-restraints excluded: chain A residue 66 CYS Chi-restraints excluded: chain A residue 75 VAL Chi-restraints excluded: chain A residue 78 LEU Chi-restraints excluded: chain A residue 81 MET Chi-restraints excluded: chain A residue 82 LEU Chi-restraints excluded: chain A residue 99 ARG Chi-restraints excluded: chain A residue 109 LEU Chi-restraints excluded: chain A residue 115 ARG Chi-restraints excluded: chain A residue 119 SER Chi-restraints excluded: chain A residue 120 CYS Chi-restraints excluded: chain A residue 125 ARG Chi-restraints excluded: chain A residue 128 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 146 CYS Chi-restraints excluded: chain A residue 149 THR Chi-restraints excluded: chain A residue 156 GLN Chi-restraints excluded: chain A residue 167 ASP Chi-restraints excluded: chain A residue 169 LEU Chi-restraints excluded: chain A residue 184 THR Chi-restraints excluded: chain A residue 188 GLU Chi-restraints excluded: chain A residue 189 LEU Chi-restraints excluded: chain A residue 190 GLN Chi-restraints excluded: chain A residue 197 GLN Chi-restraints excluded: chain A residue 203 ASN Chi-restraints excluded: chain A residue 205 ILE Chi-restraints excluded: chain A residue 210 GLU Chi-restraints excluded: chain A residue 214 VAL Chi-restraints excluded: chain A residue 215 THR Chi-restraints excluded: chain A residue 218 HIS Chi-restraints excluded: chain A residue 220 LEU Chi-restraints excluded: chain A residue 232 THR Chi-restraints excluded: chain A residue 237 ASP Chi-restraints excluded: chain A residue 253 CYS Chi-restraints excluded: chain A residue 255 HIS Chi-restraints excluded: chain A residue 257 ARG Chi-restraints excluded: chain A residue 258 SER Chi-restraints excluded: chain A residue 264 PRO Chi-restraints excluded: chain A residue 266 ARG Chi-restraints excluded: chain A residue 268 SER Chi-restraints excluded: chain A residue 272 SER Chi-restraints excluded: chain A residue 276 TRP Chi-restraints excluded: chain A residue 281 ARG Chi-restraints excluded: chain A residue 286 THR Chi-restraints excluded: chain A residue 290 TYR Chi-restraints excluded: chain A residue 291 LEU Chi-restraints excluded: chain A residue 301 VAL Chi-restraints excluded: chain A residue 303 ASP Chi-restraints excluded: chain A residue 305 CYS Chi-restraints excluded: chain A residue 309 THR Chi-restraints excluded: chain A residue 312 THR Chi-restraints excluded: chain A residue 313 SER Chi-restraints excluded: chain A residue 315 CYS Chi-restraints excluded: chain A residue 317 ARG Chi-restraints excluded: chain A residue 318 VAL Chi-restraints excluded: chain A residue 319 SER Chi-restraints excluded: chain A residue 320 LYS Chi-restraints excluded: chain A residue 321 GLU Chi-restraints excluded: chain A residue 322 LYS Chi-restraints excluded: chain A residue 334 MET Chi-restraints excluded: chain A residue 339 ILE Chi-restraints excluded: chain A residue 346 CYS Chi-restraints excluded: chain A residue 348 VAL Chi-restraints excluded: chain A residue 353 SER Chi-restraints excluded: chain A residue 358 THR Chi-restraints excluded: chain A residue 359 TYR Chi-restraints excluded: chain A residue 363 ASP Chi-restraints excluded: chain A residue 377 ILE Chi-restraints excluded: chain A residue 386 ASP Chi-restraints excluded: chain A residue 389 PHE Chi-restraints excluded: chain A residue 392 ARG Chi-restraints excluded: chain A residue 397 GLU Chi-restraints excluded: chain A residue 404 ILE Chi-restraints excluded: chain A residue 405 HIS Chi-restraints excluded: chain A residue 407 THR Chi-restraints excluded: chain A residue 413 GLN Chi-restraints excluded: chain A residue 420 SER Chi-restraints excluded: chain A residue 441 VAL Chi-restraints excluded: chain A residue 442 ILE Chi-restraints excluded: chain A residue 447 ASP Chi-restraints excluded: chain A residue 448 LEU Chi-restraints excluded: chain A residue 456 SER Chi-restraints excluded: chain A residue 470 SER Chi-restraints excluded: chain A residue 473 ASN Chi-restraints excluded: chain A residue 479 GLN Chi-restraints excluded: chain A residue 481 GLU Chi-restraints excluded: chain A residue 484 LEU Chi-restraints excluded: chain A residue 487 VAL Chi-restraints excluded: chain A residue 494 LEU Chi-restraints excluded: chain A residue 495 ASN Chi-restraints excluded: chain A residue 496 VAL Chi-restraints excluded: chain A residue 505 GLU Chi-restraints excluded: chain A residue 510 GLU Chi-restraints excluded: chain A residue 521 LEU Chi-restraints excluded: chain A residue 528 SER 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 540 PHE Chi-restraints excluded: chain A residue 545 ASP Chi-restraints excluded: chain A residue 549 SER Chi-restraints excluded: chain A residue 560 ILE Chi-restraints excluded: chain A residue 569 ILE Chi-restraints excluded: chain A residue 575 LEU Chi-restraints excluded: chain A residue 577 ILE Chi-restraints excluded: chain A residue 578 ILE Chi-restraints excluded: chain A residue 580 GLU Chi-restraints excluded: chain A residue 587 ILE Chi-restraints excluded: chain A residue 605 SER Chi-restraints excluded: chain A residue 612 VAL Chi-restraints excluded: chain A residue 621 ILE Chi-restraints excluded: chain A residue 625 LEU Chi-restraints excluded: chain A residue 629 ARG Chi-restraints excluded: chain A residue 637 LEU Chi-restraints excluded: chain A residue 652 ARG Chi-restraints excluded: chain A residue 657 THR Chi-restraints excluded: chain A residue 659 TYR Chi-restraints excluded: chain A residue 663 TYR Chi-restraints excluded: chain A residue 666 VAL Chi-restraints excluded: chain A residue 667 MET Chi-restraints excluded: chain A residue 668 VAL Chi-restraints excluded: chain A residue 671 VAL Chi-restraints excluded: chain A residue 672 VAL Chi-restraints excluded: chain A residue 675 LEU 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 707 VAL Chi-restraints excluded: chain A residue 709 ASP Chi-restraints excluded: chain A residue 710 ASP Chi-restraints excluded: chain A residue 723 THR Chi-restraints excluded: chain A residue 735 GLN Chi-restraints excluded: chain A residue 751 SER Chi-restraints excluded: chain A residue 752 VAL Chi-restraints excluded: chain A residue 755 ILE Chi-restraints excluded: chain A residue 756 SER Chi-restraints excluded: chain A residue 758 ARG Chi-restraints excluded: chain A residue 760 ASN Chi-restraints excluded: chain A residue 768 PHE Chi-restraints excluded: chain A residue 773 LEU Chi-restraints excluded: chain A residue 778 PHE Chi-restraints excluded: chain A residue 781 VAL Chi-restraints excluded: chain A residue 800 PHE Chi-restraints excluded: chain A residue 801 LYS Chi-restraints excluded: chain A residue 802 PHE Chi-restraints excluded: chain A residue 803 LEU Chi-restraints excluded: chain A residue 822 ARG Chi-restraints excluded: chain A residue 823 LEU Chi-restraints excluded: chain A residue 826 ILE Chi-restraints excluded: chain A residue 831 ARG Chi-restraints excluded: chain A residue 840 VAL Chi-restraints excluded: chain A residue 870 ILE Chi-restraints excluded: chain A residue 921 ASN Chi-restraints excluded: chain A residue 925 SER Chi-restraints excluded: chain A residue 932 LEU Chi-restraints excluded: chain A residue 933 LEU Chi-restraints excluded: chain A residue 961 MET Chi-restraints excluded: chain A residue 970 LEU Chi-restraints excluded: chain A residue 974 HIS Chi-restraints excluded: chain A residue 978 THR Chi-restraints excluded: chain A residue 1029 GLU Chi-restraints excluded: chain A residue 1034 SER Chi-restraints excluded: chain A residue 1043 VAL Chi-restraints excluded: chain A residue 1072 VAL Chi-restraints excluded: chain A residue 1074 ILE Chi-restraints excluded: chain A residue 1085 SER 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 1106 ARG Chi-restraints excluded: chain A residue 1109 LEU Chi-restraints excluded: chain A residue 1113 VAL Chi-restraints excluded: chain A residue 1114 GLU Chi-restraints excluded: chain A residue 1123 VAL Chi-restraints excluded: chain A residue 1127 HIS Chi-restraints excluded: chain A residue 1128 ARG Chi-restraints excluded: chain A residue 1137 GLU Chi-restraints excluded: chain A residue 1143 TRP Chi-restraints excluded: chain A residue 1145 SER Chi-restraints excluded: chain A residue 1147 ASP Chi-restraints excluded: chain A residue 1151 CYS Chi-restraints excluded: chain A residue 1153 ILE Chi-restraints excluded: chain A residue 1154 ASP Chi-restraints excluded: chain A residue 1155 LEU Chi-restraints excluded: chain A residue 1163 THR Chi-restraints excluded: chain A residue 1164 LEU Chi-restraints excluded: chain A residue 1168 VAL Chi-restraints excluded: chain A residue 1171 SER Chi-restraints excluded: chain A residue 1173 SER Chi-restraints excluded: chain A residue 1179 PHE Chi-restraints excluded: chain A residue 1190 PRO Chi-restraints excluded: chain A residue 1192 CYS Chi-restraints excluded: chain A residue 1193 SER Chi-restraints excluded: chain A residue 1198 GLN Chi-restraints excluded: chain A residue 1202 LEU Chi-restraints excluded: chain A residue 1204 LEU Chi-restraints excluded: chain A residue 1208 VAL Chi-restraints excluded: chain A residue 1216 ILE Chi-restraints excluded: chain A residue 1219 LEU Chi-restraints excluded: chain A residue 1234 VAL Chi-restraints excluded: chain A residue 1238 PHE Chi-restraints excluded: chain A residue 1241 SER 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 1259 ARG Chi-restraints excluded: chain A residue 1269 CYS Chi-restraints excluded: chain A residue 1271 ARG Chi-restraints excluded: chain A residue 1272 LEU Chi-restraints excluded: chain A residue 1282 SER Chi-restraints excluded: chain A residue 1283 LEU Chi-restraints excluded: chain A residue 1287 LEU Chi-restraints excluded: chain A residue 1293 LEU Chi-restraints excluded: chain A residue 1431 THR Chi-restraints excluded: chain A residue 1437 VAL Chi-restraints excluded: chain A residue 1439 VAL Chi-restraints excluded: chain A residue 1444 GLU Chi-restraints excluded: chain A residue 1453 VAL Chi-restraints excluded: chain A residue 1457 TYR Chi-restraints excluded: chain A residue 1460 HIS Chi-restraints excluded: chain A residue 1462 MET Chi-restraints excluded: chain A residue 1466 LEU Chi-restraints excluded: chain A residue 1467 SER Chi-restraints excluded: chain A residue 1468 LYS Chi-restraints excluded: chain A residue 1469 VAL Chi-restraints excluded: chain A residue 1483 VAL Chi-restraints excluded: chain A residue 1485 SER Chi-restraints excluded: chain A residue 1486 SER Chi-restraints excluded: chain A residue 1576 SER Chi-restraints excluded: chain A residue 1580 PHE Chi-restraints excluded: chain A residue 1595 LEU Chi-restraints excluded: chain A residue 1597 VAL Chi-restraints excluded: chain A residue 1599 MET Chi-restraints excluded: chain A residue 1600 LEU Chi-restraints excluded: chain A residue 1603 VAL Chi-restraints excluded: chain A residue 1607 ARG Chi-restraints excluded: chain A residue 1610 ASN Chi-restraints excluded: chain A residue 1632 ASP Chi-restraints excluded: chain A residue 1634 LEU Chi-restraints excluded: chain A residue 1636 MET Chi-restraints excluded: chain A residue 1641 ILE Chi-restraints excluded: chain A residue 1642 PRO Chi-restraints excluded: chain A residue 1647 CYS 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 1671 ARG Chi-restraints excluded: chain A residue 1673 VAL Chi-restraints excluded: chain A residue 1679 ASN Chi-restraints excluded: chain A residue 1685 LEU Chi-restraints excluded: chain A residue 1687 SER Chi-restraints excluded: chain A residue 1698 LEU Chi-restraints excluded: chain A residue 1699 GLU Chi-restraints excluded: chain A residue 1700 ASP Chi-restraints excluded: chain A residue 1704 PRO Chi-restraints excluded: chain A residue 1706 PRO Chi-restraints excluded: chain A residue 1717 SER Chi-restraints excluded: chain A residue 1720 LEU Chi-restraints excluded: chain A residue 1733 GLU Chi-restraints excluded: chain A residue 1736 VAL Chi-restraints excluded: chain A residue 1738 LEU Chi-restraints excluded: chain A residue 1739 THR Chi-restraints excluded: chain A residue 1760 HIS Chi-restraints excluded: chain A residue 1770 SER Chi-restraints excluded: chain A residue 1771 LEU Chi-restraints excluded: chain A residue 1772 ARG Chi-restraints excluded: chain A residue 1778 SER Chi-restraints excluded: chain A residue 1802 ILE Chi-restraints excluded: chain A residue 1812 LEU Chi-restraints excluded: chain A residue 1815 LEU Chi-restraints excluded: chain A residue 1830 VAL Chi-restraints excluded: chain A residue 1834 VAL Chi-restraints excluded: chain A residue 1835 GLU Chi-restraints excluded: chain A residue 1837 GLN Chi-restraints excluded: chain A residue 1849 LEU Chi-restraints excluded: chain A residue 1857 GLU Chi-restraints excluded: chain A residue 1858 ASP Chi-restraints excluded: chain A residue 1869 GLU Chi-restraints excluded: chain A residue 1872 THR Chi-restraints excluded: chain A residue 1873 GLU Chi-restraints excluded: chain A residue 1929 MET Chi-restraints excluded: chain A residue 1930 LYS Chi-restraints excluded: chain A residue 1934 SER Chi-restraints excluded: chain A residue 1955 VAL Chi-restraints excluded: chain A residue 1961 PHE Chi-restraints excluded: chain A residue 1966 VAL Chi-restraints excluded: chain A residue 1969 LEU Chi-restraints excluded: chain A residue 1981 MET Chi-restraints excluded: chain A residue 1987 SER Chi-restraints excluded: chain A residue 1996 ARG Chi-restraints excluded: chain A residue 2020 ASP Chi-restraints excluded: chain A residue 2027 ILE Chi-restraints excluded: chain A residue 2037 ASP Chi-restraints excluded: chain A residue 2039 LEU Chi-restraints excluded: chain A residue 2093 SER Chi-restraints excluded: chain A residue 2094 LEU Chi-restraints excluded: chain A residue 2095 GLN Chi-restraints excluded: chain A residue 2097 LEU Chi-restraints excluded: chain A residue 2098 VAL Chi-restraints excluded: chain A residue 2111 VAL Chi-restraints excluded: chain A residue 2120 MET Chi-restraints excluded: chain A residue 2122 SER Chi-restraints excluded: chain A residue 2131 LEU Chi-restraints excluded: chain A residue 2136 ARG 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 2156 LEU Chi-restraints excluded: chain A residue 2161 GLN Chi-restraints excluded: chain A residue 2166 LEU Chi-restraints excluded: chain A residue 2167 ILE Chi-restraints excluded: chain A residue 2169 GLN Chi-restraints excluded: chain A residue 2170 MET Chi-restraints excluded: chain A residue 2175 GLU Chi-restraints excluded: chain A residue 2186 MET Chi-restraints excluded: chain A residue 2187 ASN Chi-restraints excluded: chain A residue 2197 LEU Chi-restraints excluded: chain A residue 2199 ARG Chi-restraints excluded: chain A residue 2221 LYS Chi-restraints excluded: chain A residue 2225 PHE Chi-restraints excluded: chain A residue 2227 LYS Chi-restraints excluded: chain A residue 2228 MET Chi-restraints excluded: chain A residue 2229 VAL Chi-restraints excluded: chain A residue 2230 THR Chi-restraints excluded: chain A residue 2231 SER Chi-restraints excluded: chain A residue 2238 TYR Chi-restraints excluded: chain A residue 2241 ARG Chi-restraints excluded: chain A residue 2242 ILE Chi-restraints excluded: chain A residue 2244 ARG Chi-restraints excluded: chain A residue 2249 SER Chi-restraints excluded: chain A residue 2252 ASP Chi-restraints excluded: chain A residue 2259 GLU Chi-restraints excluded: chain A residue 2270 SER Chi-restraints excluded: chain A residue 2274 ASP Chi-restraints excluded: chain A residue 2275 VAL Chi-restraints excluded: chain A residue 2280 VAL Chi-restraints excluded: chain A residue 2281 ILE Chi-restraints excluded: chain A residue 2284 ASN Chi-restraints excluded: chain A residue 2290 LEU Chi-restraints excluded: chain A residue 2293 GLN Chi-restraints excluded: chain A residue 2294 ASP Chi-restraints excluded: chain A residue 2295 LEU Chi-restraints excluded: chain A residue 2296 GLU Chi-restraints excluded: chain A residue 2299 VAL Chi-restraints excluded: chain A residue 2300 SER Chi-restraints excluded: chain A residue 2312 MET Chi-restraints excluded: chain A residue 2314 LEU Chi-restraints excluded: chain A residue 2324 ASN Chi-restraints excluded: chain A residue 2330 ARG Chi-restraints excluded: chain A residue 2333 ASP Chi-restraints excluded: chain A residue 2336 ARG Chi-restraints excluded: chain A residue 2341 VAL Chi-restraints excluded: chain A residue 2345 SER Chi-restraints excluded: chain A residue 2346 VAL Chi-restraints excluded: chain A residue 2352 VAL Chi-restraints excluded: chain A residue 2353 VAL Chi-restraints excluded: chain A residue 2368 LEU Chi-restraints excluded: chain A residue 2387 SER Chi-restraints excluded: chain A residue 2416 VAL Chi-restraints excluded: chain A residue 2423 MET Chi-restraints excluded: chain A residue 2430 ILE Chi-restraints excluded: chain A residue 2442 LEU Chi-restraints excluded: chain A residue 2454 ARG Chi-restraints excluded: chain A residue 2458 ARG Chi-restraints excluded: chain A residue 2460 LEU Chi-restraints excluded: chain A residue 2461 VAL Chi-restraints excluded: chain A residue 2479 LEU Chi-restraints excluded: chain A residue 3644 LEU Chi-restraints excluded: chain A residue 3652 MET Chi-restraints excluded: chain A residue 3656 SER Chi-restraints excluded: chain A residue 3661 TRP Chi-restraints excluded: chain A residue 3662 ILE Chi-restraints excluded: chain A residue 3663 LEU Chi-restraints excluded: chain A residue 3669 PHE Chi-restraints excluded: chain A residue 3670 GLU Chi-restraints excluded: chain A residue 3678 SER Chi-restraints excluded: chain A residue 3694 LYS Chi-restraints excluded: chain A residue 3696 ASP Chi-restraints excluded: chain A residue 3707 ARG Chi-restraints excluded: chain A residue 3711 THR Chi-restraints excluded: chain A residue 3719 ASP Chi-restraints excluded: chain A residue 3732 SER Chi-restraints excluded: chain A residue 3752 SER Chi-restraints excluded: chain A residue 3754 GLU Chi-restraints excluded: chain A residue 3756 LYS Chi-restraints excluded: chain A residue 3764 LEU Chi-restraints excluded: chain A residue 3772 THR Chi-restraints excluded: chain A residue 3779 VAL Chi-restraints excluded: chain A residue 3787 LYS Chi-restraints excluded: chain A residue 3793 MET Chi-restraints excluded: chain A residue 3795 SER Chi-restraints excluded: chain A residue 3803 SER Chi-restraints excluded: chain A residue 3822 ASP Chi-restraints excluded: chain A residue 3826 VAL Chi-restraints excluded: chain A residue 3837 GLN Chi-restraints excluded: chain A residue 3869 GLN Chi-restraints excluded: chain A residue 3873 LYS Chi-restraints excluded: chain A residue 3875 MET Chi-restraints excluded: chain A residue 3881 THR Chi-restraints excluded: chain A residue 3893 GLU Chi-restraints excluded: chain A residue 3904 ARG Chi-restraints excluded: chain A residue 3905 THR Chi-restraints excluded: chain A residue 3907 THR Chi-restraints excluded: chain A residue 3916 ILE Chi-restraints excluded: chain A residue 3924 LEU Chi-restraints excluded: chain A residue 3929 SER Chi-restraints excluded: chain A residue 3930 ILE Chi-restraints excluded: chain A residue 3933 PHE Chi-restraints excluded: chain A residue 3938 SER Chi-restraints excluded: chain A residue 3942 VAL Chi-restraints excluded: chain A residue 3945 GLU Chi-restraints excluded: chain A residue 3952 SER Chi-restraints excluded: chain A residue 3967 GLU Chi-restraints excluded: chain A residue 3969 ILE Chi-restraints excluded: chain A residue 3970 GLN Chi-restraints excluded: chain A residue 3995 VAL Chi-restraints excluded: chain A residue 4005 GLN Chi-restraints excluded: chain A residue 4007 SER Chi-restraints excluded: chain A residue 4008 SER Chi-restraints excluded: chain A residue 4012 LEU Chi-restraints excluded: chain A residue 4015 GLU Chi-restraints excluded: chain A residue 4018 ASP Chi-restraints excluded: chain A residue 4019 LEU Chi-restraints excluded: chain A residue 4026 MET 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 4048 LEU Chi-restraints excluded: chain A residue 4049 VAL Chi-restraints excluded: chain A residue 4051 SER Chi-restraints excluded: chain A residue 4052 SER Chi-restraints excluded: chain A residue 4053 SER Chi-restraints excluded: chain A residue 4055 VAL Chi-restraints excluded: chain A residue 4064 MET Chi-restraints excluded: chain A residue 4067 LYS Chi-restraints excluded: chain A residue 4072 VAL Chi-restraints excluded: chain A residue 4100 GLN Chi-restraints excluded: chain A residue 4102 GLN Chi-restraints excluded: chain A residue 4103 PHE Chi-restraints excluded: chain A residue 4107 GLU Chi-restraints excluded: chain A residue 4109 GLN Chi-restraints excluded: chain A residue 4110 PHE Chi-restraints excluded: chain A residue 4112 LEU Chi-restraints excluded: chain A residue 4113 SER Chi-restraints excluded: chain A residue 4115 SER Chi-restraints excluded: chain A residue 4120 ASN Chi-restraints excluded: chain A residue 4123 ILE Chi-restraints excluded: chain A residue 4125 PHE Chi-restraints excluded: chain A residue 4127 GLU Chi-restraints excluded: chain A residue 4135 PRO Chi-restraints excluded: chain A residue 4139 ILE Chi-restraints excluded: chain A residue 4145 VAL Chi-restraints excluded: chain A residue 4154 VAL Chi-restraints excluded: chain A residue 4159 ARG Chi-restraints excluded: chain A residue 4170 ILE Chi-restraints excluded: chain A residue 4172 GLU Chi-restraints excluded: chain A residue 4176 PRO Chi-restraints excluded: chain A residue 4178 LEU Chi-restraints excluded: chain A residue 4184 MET Chi-restraints excluded: chain A residue 4196 GLU Chi-restraints excluded: chain A residue 4200 THR Chi-restraints excluded: chain A residue 4220 ASP Chi-restraints excluded: chain A residue 4221 VAL Chi-restraints excluded: chain A residue 4232 GLU Chi-restraints excluded: chain A residue 4242 ILE Chi-restraints excluded: chain A residue 4244 GLU Chi-restraints excluded: chain A residue 4251 ILE Chi-restraints excluded: chain A residue 4546 VAL 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 4565 LEU Chi-restraints excluded: chain A residue 4582 VAL Chi-restraints excluded: chain A residue 4632 LEU Chi-restraints excluded: chain A residue 4634 GLU Chi-restraints excluded: chain A residue 4645 CYS Chi-restraints excluded: chain A residue 4647 SER Chi-restraints excluded: chain A residue 4648 LEU Chi-restraints excluded: chain A residue 4653 VAL Chi-restraints excluded: chain A residue 4662 ASN Chi-restraints excluded: chain A residue 4667 PRO Chi-restraints excluded: chain A residue 4669 VAL Chi-restraints excluded: chain A residue 4688 ILE Chi-restraints excluded: chain A residue 4689 THR Chi-restraints excluded: chain A residue 4690 GLU Chi-restraints excluded: chain A residue 4694 ASP Chi-restraints excluded: chain A residue 4695 ASP Chi-restraints excluded: chain A residue 4698 LYS Chi-restraints excluded: chain A residue 4704 LEU Chi-restraints excluded: chain A residue 4707 ASN Chi-restraints excluded: chain A residue 4710 SER Chi-restraints excluded: chain A residue 4713 SER Chi-restraints excluded: chain A residue 4718 LYS Chi-restraints excluded: chain A residue 4722 ARG Chi-restraints excluded: chain A residue 4737 ILE Chi-restraints excluded: chain A residue 4741 LEU Chi-restraints excluded: chain A residue 4743 MET Chi-restraints excluded: chain A residue 4745 LEU Chi-restraints excluded: chain A residue 4750 ILE Chi-restraints excluded: chain A residue 4766 THR Chi-restraints excluded: chain A residue 4788 SER Chi-restraints excluded: chain A residue 4796 MET Chi-restraints excluded: chain A residue 4816 ILE Chi-restraints excluded: chain A residue 4818 MET Chi-restraints excluded: chain A residue 4825 THR Chi-restraints excluded: chain A residue 4836 GLN Chi-restraints excluded: chain A residue 4838 VAL Chi-restraints excluded: chain A residue 4850 LEU Chi-restraints excluded: chain A residue 4879 MET Chi-restraints excluded: chain A residue 4880 MET Chi-restraints excluded: chain A residue 4881 THR Chi-restraints excluded: chain A residue 4901 ILE Chi-restraints excluded: chain A residue 4918 ILE Chi-restraints excluded: chain A residue 4919 THR Chi-restraints excluded: chain A residue 4948 GLU Chi-restraints excluded: chain A residue 4952 GLU Chi-restraints excluded: chain A residue 4954 MET Chi-restraints excluded: chain A residue 4956 THR Chi-restraints excluded: chain A residue 4957 LYS Chi-restraints excluded: chain A residue 4961 CYS Chi-restraints excluded: chain A residue 4965 SER Chi-restraints excluded: chain A residue 4966 ASP Chi-restraints excluded: chain A residue 4980 LEU Chi-restraints excluded: chain A residue 4992 LEU Chi-restraints excluded: chain A residue 5002 GLU Chi-restraints excluded: chain A residue 5008 SER Chi-restraints excluded: chain A residue 5023 PRO Chi-restraints excluded: chain B residue 13 PHE Chi-restraints excluded: chain B residue 18 ASP Chi-restraints excluded: chain B residue 23 GLN Chi-restraints excluded: chain B residue 24 CYS Chi-restraints excluded: chain B residue 25 SER Chi-restraints excluded: chain B residue 29 LEU Chi-restraints excluded: chain B residue 32 GLN Chi-restraints excluded: chain B residue 33 LEU Chi-restraints excluded: chain B residue 35 LEU Chi-restraints excluded: chain B residue 47 CYS Chi-restraints excluded: chain B residue 54 ASN Chi-restraints excluded: chain B residue 66 CYS Chi-restraints excluded: chain B residue 68 THR Chi-restraints excluded: chain B residue 75 VAL Chi-restraints excluded: chain B residue 78 LEU Chi-restraints excluded: chain B residue 81 MET Chi-restraints excluded: chain B residue 82 LEU Chi-restraints excluded: chain B residue 99 ARG Chi-restraints excluded: chain B residue 109 LEU Chi-restraints excluded: chain B residue 115 ARG Chi-restraints excluded: chain B residue 118 LEU Chi-restraints excluded: chain B residue 119 SER Chi-restraints excluded: chain B residue 120 CYS Chi-restraints excluded: chain B residue 125 ARG Chi-restraints excluded: chain B residue 128 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 146 CYS Chi-restraints excluded: chain B residue 149 THR Chi-restraints excluded: chain B residue 156 GLN Chi-restraints excluded: chain B residue 167 ASP Chi-restraints excluded: chain B residue 169 LEU Chi-restraints excluded: chain B residue 184 THR Chi-restraints excluded: chain B residue 188 GLU Chi-restraints excluded: chain B residue 189 LEU Chi-restraints excluded: chain B residue 190 GLN Chi-restraints excluded: chain B residue 197 GLN Chi-restraints excluded: chain B residue 202 MET Chi-restraints excluded: chain B residue 203 ASN Chi-restraints excluded: chain B residue 205 ILE Chi-restraints excluded: chain B residue 210 GLU Chi-restraints excluded: chain B residue 214 VAL Chi-restraints excluded: chain B residue 215 THR Chi-restraints excluded: chain B residue 218 HIS Chi-restraints excluded: chain B residue 220 LEU Chi-restraints excluded: chain B residue 232 THR Chi-restraints excluded: chain B residue 237 ASP Chi-restraints excluded: chain B residue 253 CYS Chi-restraints excluded: chain B residue 255 HIS Chi-restraints excluded: chain B residue 257 ARG Chi-restraints excluded: chain B residue 264 PRO Chi-restraints excluded: chain B residue 265 LEU Chi-restraints excluded: chain B residue 266 ARG Chi-restraints excluded: chain B residue 268 SER Chi-restraints excluded: chain B residue 272 SER Chi-restraints excluded: chain B residue 281 ARG Chi-restraints excluded: chain B residue 287 THR Chi-restraints excluded: chain B residue 290 TYR Chi-restraints excluded: chain B residue 291 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 305 CYS Chi-restraints excluded: chain B residue 309 THR Chi-restraints excluded: chain B residue 310 LYS Chi-restraints excluded: chain B residue 312 THR Chi-restraints excluded: chain B residue 315 CYS Chi-restraints excluded: chain B residue 317 ARG Chi-restraints excluded: chain B residue 318 VAL Chi-restraints excluded: chain B residue 319 SER Chi-restraints excluded: chain B residue 320 LYS Chi-restraints excluded: chain B residue 321 GLU Chi-restraints excluded: chain B residue 334 MET Chi-restraints excluded: chain B residue 346 CYS Chi-restraints excluded: chain B residue 348 VAL Chi-restraints excluded: chain B residue 353 SER Chi-restraints excluded: chain B residue 358 THR Chi-restraints excluded: chain B residue 359 TYR Chi-restraints excluded: chain B residue 363 ASP Chi-restraints excluded: chain B residue 377 ILE Chi-restraints excluded: chain B residue 384 MET Chi-restraints excluded: chain B residue 386 ASP Chi-restraints excluded: chain B residue 389 PHE Chi-restraints excluded: chain B residue 392 ARG Chi-restraints excluded: chain B residue 396 GLU Chi-restraints excluded: chain B residue 397 GLU Chi-restraints excluded: chain B residue 404 ILE Chi-restraints excluded: chain B residue 405 HIS Chi-restraints excluded: chain B residue 407 THR Chi-restraints excluded: chain B residue 413 GLN Chi-restraints excluded: chain B residue 420 SER Chi-restraints excluded: chain B residue 441 VAL Chi-restraints excluded: chain B residue 442 ILE Chi-restraints excluded: chain B residue 447 ASP Chi-restraints excluded: chain B residue 448 LEU Chi-restraints excluded: chain B residue 456 SER Chi-restraints excluded: chain B residue 470 SER Chi-restraints excluded: chain B residue 473 ASN Chi-restraints excluded: chain B residue 479 GLN Chi-restraints excluded: chain B residue 487 VAL Chi-restraints excluded: chain B residue 494 LEU Chi-restraints excluded: chain B residue 495 ASN Chi-restraints excluded: chain B residue 496 VAL Chi-restraints excluded: chain B residue 503 PHE Chi-restraints excluded: chain B residue 505 GLU Chi-restraints excluded: chain B residue 510 GLU Chi-restraints excluded: chain B residue 521 LEU Chi-restraints excluded: chain B residue 528 SER Chi-restraints excluded: chain B residue 529 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 540 PHE Chi-restraints excluded: chain B residue 545 ASP Chi-restraints excluded: chain B residue 549 SER Chi-restraints excluded: chain B residue 560 ILE Chi-restraints excluded: chain B residue 569 ILE Chi-restraints excluded: chain B residue 575 LEU Chi-restraints excluded: chain B residue 577 ILE Chi-restraints excluded: chain B residue 578 ILE Chi-restraints excluded: chain B residue 580 GLU Chi-restraints excluded: chain B residue 587 ILE Chi-restraints excluded: chain B residue 612 VAL Chi-restraints excluded: chain B residue 621 ILE Chi-restraints excluded: chain B residue 625 LEU Chi-restraints excluded: chain B residue 629 ARG Chi-restraints excluded: chain B residue 637 LEU Chi-restraints excluded: chain B residue 645 ARG Chi-restraints excluded: chain B residue 657 THR Chi-restraints excluded: chain B residue 659 TYR Chi-restraints excluded: chain B residue 663 TYR Chi-restraints excluded: chain B residue 666 VAL Chi-restraints excluded: chain B residue 667 MET Chi-restraints excluded: chain B residue 668 VAL Chi-restraints excluded: chain B residue 675 LEU 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 707 VAL Chi-restraints excluded: chain B residue 709 ASP Chi-restraints excluded: chain B residue 710 ASP Chi-restraints excluded: chain B residue 714 TYR Chi-restraints excluded: chain B residue 723 THR Chi-restraints excluded: chain B residue 735 GLN Chi-restraints excluded: chain B residue 751 SER Chi-restraints excluded: chain B residue 752 VAL Chi-restraints excluded: chain B residue 755 ILE Chi-restraints excluded: chain B residue 756 SER Chi-restraints excluded: chain B residue 758 ARG Chi-restraints excluded: chain B residue 760 ASN Chi-restraints excluded: chain B residue 768 PHE Chi-restraints excluded: chain B residue 773 LEU Chi-restraints excluded: chain B residue 781 VAL Chi-restraints excluded: chain B residue 788 LYS Chi-restraints excluded: chain B residue 800 PHE Chi-restraints excluded: chain B residue 801 LYS Chi-restraints excluded: chain B residue 802 PHE Chi-restraints excluded: chain B residue 803 LEU Chi-restraints excluded: chain B residue 823 LEU Chi-restraints excluded: chain B residue 826 ILE Chi-restraints excluded: chain B residue 831 ARG Chi-restraints excluded: chain B residue 840 VAL Chi-restraints excluded: chain B residue 921 ASN Chi-restraints excluded: chain B residue 925 SER Chi-restraints excluded: chain B residue 932 LEU Chi-restraints excluded: chain B residue 933 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 993 HIS Chi-restraints excluded: chain B residue 1043 VAL Chi-restraints excluded: chain B residue 1072 VAL Chi-restraints excluded: chain B residue 1074 ILE Chi-restraints excluded: chain B residue 1085 SER 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 1106 ARG Chi-restraints excluded: chain B residue 1109 LEU Chi-restraints excluded: chain B residue 1113 VAL Chi-restraints excluded: chain B residue 1114 GLU Chi-restraints excluded: chain B residue 1123 VAL Chi-restraints excluded: chain B residue 1127 HIS Chi-restraints excluded: chain B residue 1131 ARG Chi-restraints excluded: chain B residue 1136 SER Chi-restraints excluded: chain B residue 1137 GLU Chi-restraints excluded: chain B residue 1143 TRP Chi-restraints excluded: chain B residue 1145 SER Chi-restraints excluded: chain B residue 1147 ASP Chi-restraints excluded: chain B residue 1151 CYS Chi-restraints excluded: chain B residue 1152 MET Chi-restraints excluded: chain B residue 1153 ILE Chi-restraints excluded: chain B residue 1154 ASP Chi-restraints excluded: chain B residue 1155 LEU Chi-restraints excluded: chain B residue 1163 THR Chi-restraints excluded: chain B residue 1164 LEU Chi-restraints excluded: chain B residue 1168 VAL Chi-restraints excluded: chain B residue 1169 LEU Chi-restraints excluded: chain B residue 1173 SER Chi-restraints excluded: chain B residue 1182 ILE Chi-restraints excluded: chain B residue 1190 PRO Chi-restraints excluded: chain B residue 1192 CYS Chi-restraints excluded: chain B residue 1193 SER Chi-restraints excluded: chain B residue 1198 GLN Chi-restraints excluded: chain B residue 1202 LEU Chi-restraints excluded: chain B residue 1204 LEU Chi-restraints excluded: chain B residue 1208 VAL Chi-restraints excluded: chain B residue 1219 LEU Chi-restraints excluded: chain B residue 1221 GLU Chi-restraints excluded: chain B residue 1226 PHE Chi-restraints excluded: chain B residue 1234 VAL Chi-restraints excluded: chain B residue 1238 PHE Chi-restraints excluded: chain B residue 1241 SER Chi-restraints excluded: chain B residue 1248 VAL Chi-restraints excluded: chain B residue 1251 GLU Chi-restraints excluded: chain B residue 1259 ARG Chi-restraints excluded: chain B residue 1269 CYS Chi-restraints excluded: chain B residue 1271 ARG Chi-restraints excluded: chain B residue 1272 LEU Chi-restraints excluded: chain B residue 1282 SER Chi-restraints excluded: chain B residue 1287 LEU Chi-restraints excluded: chain B residue 1431 THR Chi-restraints excluded: chain B residue 1437 VAL Chi-restraints excluded: chain B residue 1439 VAL Chi-restraints excluded: chain B residue 1444 GLU Chi-restraints excluded: chain B residue 1446 SER Chi-restraints excluded: chain B residue 1457 TYR Chi-restraints excluded: chain B residue 1460 HIS Chi-restraints excluded: chain B residue 1462 MET Chi-restraints excluded: chain B residue 1467 SER Chi-restraints excluded: chain B residue 1468 LYS Chi-restraints excluded: chain B residue 1469 VAL Chi-restraints excluded: chain B residue 1485 SER Chi-restraints excluded: chain B residue 1486 SER Chi-restraints excluded: chain B residue 1489 CYS Chi-restraints excluded: chain B residue 1576 SER Chi-restraints excluded: chain B residue 1580 PHE Chi-restraints excluded: chain B residue 1581 LEU Chi-restraints excluded: chain B residue 1583 GLU Chi-restraints excluded: chain B residue 1585 LYS Chi-restraints excluded: chain B residue 1595 LEU Chi-restraints excluded: chain B residue 1597 VAL Chi-restraints excluded: chain B residue 1599 MET Chi-restraints excluded: chain B residue 1600 LEU Chi-restraints excluded: chain B residue 1603 VAL Chi-restraints excluded: chain B residue 1607 ARG Chi-restraints excluded: chain B residue 1610 ASN Chi-restraints excluded: chain B residue 1630 CYS Chi-restraints excluded: chain B residue 1632 ASP Chi-restraints excluded: chain B residue 1634 LEU Chi-restraints excluded: chain B residue 1636 MET Chi-restraints excluded: chain B residue 1641 ILE Chi-restraints excluded: chain B residue 1642 PRO Chi-restraints excluded: chain B residue 1647 CYS Chi-restraints excluded: chain B residue 1657 LEU Chi-restraints excluded: chain B residue 1666 THR Chi-restraints excluded: chain B residue 1668 ARG Chi-restraints excluded: chain B residue 1671 ARG Chi-restraints excluded: chain B residue 1673 VAL Chi-restraints excluded: chain B residue 1679 ASN Chi-restraints excluded: chain B residue 1685 LEU Chi-restraints excluded: chain B residue 1687 SER Chi-restraints excluded: chain B residue 1689 VAL Chi-restraints excluded: chain B residue 1698 LEU Chi-restraints excluded: chain B residue 1699 GLU Chi-restraints excluded: chain B residue 1700 ASP Chi-restraints excluded: chain B residue 1704 PRO Chi-restraints excluded: chain B residue 1706 PRO Chi-restraints excluded: chain B residue 1717 SER Chi-restraints excluded: chain B residue 1720 LEU Chi-restraints excluded: chain B residue 1733 GLU Chi-restraints excluded: chain B residue 1736 VAL Chi-restraints excluded: chain B residue 1738 LEU Chi-restraints excluded: chain B residue 1739 THR Chi-restraints excluded: chain B residue 1759 ARG Chi-restraints excluded: chain B residue 1770 SER Chi-restraints excluded: chain B residue 1771 LEU 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 1802 ILE Chi-restraints excluded: chain B residue 1812 LEU Chi-restraints excluded: chain B residue 1815 LEU Chi-restraints excluded: chain B residue 1830 VAL Chi-restraints excluded: chain B residue 1834 VAL Chi-restraints excluded: chain B residue 1835 GLU Chi-restraints excluded: chain B residue 1837 GLN Chi-restraints excluded: chain B residue 1849 LEU Chi-restraints excluded: chain B residue 1857 GLU Chi-restraints excluded: chain B residue 1858 ASP Chi-restraints excluded: chain B residue 1863 LEU Chi-restraints excluded: chain B residue 1869 GLU Chi-restraints excluded: chain B residue 1870 VAL Chi-restraints excluded: chain B residue 1873 GLU Chi-restraints excluded: chain B residue 1929 MET Chi-restraints excluded: chain B residue 1934 SER Chi-restraints excluded: chain B residue 1955 VAL Chi-restraints excluded: chain B residue 1961 PHE Chi-restraints excluded: chain B residue 1966 VAL Chi-restraints excluded: chain B residue 1969 LEU Chi-restraints excluded: chain B residue 1981 MET Chi-restraints excluded: chain B residue 1993 ARG Chi-restraints excluded: chain B residue 1995 THR Chi-restraints excluded: chain B residue 1996 ARG Chi-restraints excluded: chain B residue 2020 ASP Chi-restraints excluded: chain B residue 2037 ASP Chi-restraints excluded: chain B residue 2039 LEU Chi-restraints excluded: chain B residue 2090 LYS Chi-restraints excluded: chain B residue 2093 SER Chi-restraints excluded: chain B residue 2094 LEU Chi-restraints excluded: chain B residue 2095 GLN Chi-restraints excluded: chain B residue 2097 LEU Chi-restraints excluded: chain B residue 2098 VAL Chi-restraints excluded: chain B residue 2100 HIS Chi-restraints excluded: chain B residue 2111 VAL Chi-restraints excluded: chain B residue 2122 SER Chi-restraints excluded: chain B residue 2136 ARG 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 2152 THR Chi-restraints excluded: chain B residue 2156 LEU Chi-restraints excluded: chain B residue 2161 GLN Chi-restraints excluded: chain B residue 2166 LEU Chi-restraints excluded: chain B residue 2167 ILE Chi-restraints excluded: chain B residue 2169 GLN Chi-restraints excluded: chain B residue 2170 MET Chi-restraints excluded: chain B residue 2175 GLU Chi-restraints excluded: chain B residue 2186 MET Chi-restraints excluded: chain B residue 2187 ASN Chi-restraints excluded: chain B residue 2197 LEU Chi-restraints excluded: chain B residue 2199 ARG Chi-restraints excluded: chain B residue 2221 LYS Chi-restraints excluded: chain B residue 2225 PHE Chi-restraints excluded: chain B residue 2227 LYS Chi-restraints excluded: chain B residue 2228 MET Chi-restraints excluded: chain B residue 2229 VAL Chi-restraints excluded: chain B residue 2230 THR Chi-restraints excluded: chain B residue 2238 TYR Chi-restraints excluded: chain B residue 2241 ARG Chi-restraints excluded: chain B residue 2242 ILE Chi-restraints excluded: chain B residue 2244 ARG Chi-restraints excluded: chain B residue 2248 ARG Chi-restraints excluded: chain B residue 2270 SER Chi-restraints excluded: chain B residue 2274 ASP Chi-restraints excluded: chain B residue 2275 VAL Chi-restraints excluded: chain B residue 2280 VAL Chi-restraints excluded: chain B residue 2281 ILE Chi-restraints excluded: chain B residue 2290 LEU Chi-restraints excluded: chain B residue 2294 ASP Chi-restraints excluded: chain B residue 2295 LEU Chi-restraints excluded: chain B residue 2296 GLU Chi-restraints excluded: chain B residue 2300 SER Chi-restraints excluded: chain B residue 2312 MET Chi-restraints excluded: chain B residue 2324 ASN Chi-restraints excluded: chain B residue 2330 ARG Chi-restraints excluded: chain B residue 2333 ASP Chi-restraints excluded: chain B residue 2336 ARG Chi-restraints excluded: chain B residue 2341 VAL Chi-restraints excluded: chain B residue 2345 SER Chi-restraints excluded: chain B residue 2346 VAL Chi-restraints excluded: chain B residue 2352 VAL Chi-restraints excluded: chain B residue 2353 VAL Chi-restraints excluded: chain B residue 2368 LEU Chi-restraints excluded: chain B residue 2377 LEU Chi-restraints excluded: chain B residue 2387 SER Chi-restraints excluded: chain B residue 2416 VAL Chi-restraints excluded: chain B residue 2423 MET Chi-restraints excluded: chain B residue 2430 ILE Chi-restraints excluded: chain B residue 2442 LEU Chi-restraints excluded: chain B residue 2454 ARG Chi-restraints excluded: chain B residue 2458 ARG Chi-restraints excluded: chain B residue 2460 LEU Chi-restraints excluded: chain B residue 2461 VAL Chi-restraints excluded: chain B residue 2474 LEU Chi-restraints excluded: chain B residue 2479 LEU Chi-restraints excluded: chain B residue 3641 LEU Chi-restraints excluded: chain B residue 3644 LEU Chi-restraints excluded: chain B residue 3646 THR Chi-restraints excluded: chain B residue 3652 MET Chi-restraints excluded: chain B residue 3656 SER Chi-restraints excluded: chain B residue 3662 ILE Chi-restraints excluded: chain B residue 3667 HIS Chi-restraints excluded: chain B residue 3670 GLU Chi-restraints excluded: chain B residue 3678 SER Chi-restraints excluded: chain B residue 3694 LYS Chi-restraints excluded: chain B residue 3696 ASP Chi-restraints excluded: chain B residue 3707 ARG Chi-restraints excluded: chain B residue 3711 THR Chi-restraints excluded: chain B residue 3719 ASP Chi-restraints excluded: chain B residue 3732 SER Chi-restraints excluded: chain B residue 3733 CYS Chi-restraints excluded: chain B residue 3752 SER Chi-restraints excluded: chain B residue 3754 GLU Chi-restraints excluded: chain B residue 3764 LEU Chi-restraints excluded: chain B residue 3772 THR Chi-restraints excluded: chain B residue 3779 VAL Chi-restraints excluded: chain B residue 3793 MET Chi-restraints excluded: chain B residue 3795 SER Chi-restraints excluded: chain B residue 3803 SER Chi-restraints excluded: chain B residue 3822 ASP Chi-restraints excluded: chain B residue 3826 VAL Chi-restraints excluded: chain B residue 3837 GLN Chi-restraints excluded: chain B residue 3852 LYS Chi-restraints excluded: chain B residue 3856 LEU Chi-restraints excluded: chain B residue 3869 GLN Chi-restraints excluded: chain B residue 3872 GLU Chi-restraints excluded: chain B residue 3881 THR Chi-restraints excluded: chain B residue 3893 GLU Chi-restraints excluded: chain B residue 3904 ARG Chi-restraints excluded: chain B residue 3905 THR Chi-restraints excluded: chain B residue 3907 THR Chi-restraints excluded: chain B residue 3916 ILE Chi-restraints excluded: chain B residue 3924 LEU Chi-restraints excluded: chain B residue 3929 SER Chi-restraints excluded: chain B residue 3930 ILE Chi-restraints excluded: chain B residue 3933 PHE Chi-restraints excluded: chain B residue 3938 SER Chi-restraints excluded: chain B residue 3942 VAL Chi-restraints excluded: chain B residue 3945 GLU Chi-restraints excluded: chain B residue 3952 SER Chi-restraints excluded: chain B residue 3967 GLU Chi-restraints excluded: chain B residue 3969 ILE Chi-restraints excluded: chain B residue 3970 GLN Chi-restraints excluded: chain B residue 3995 VAL Chi-restraints excluded: chain B residue 4005 GLN Chi-restraints excluded: chain B residue 4007 SER Chi-restraints excluded: chain B residue 4008 SER Chi-restraints excluded: chain B residue 4012 LEU Chi-restraints excluded: chain B residue 4014 LYS Chi-restraints excluded: chain B residue 4018 ASP 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 4048 LEU Chi-restraints excluded: chain B residue 4049 VAL Chi-restraints excluded: chain B residue 4051 SER Chi-restraints excluded: chain B residue 4052 SER Chi-restraints excluded: chain B residue 4053 SER Chi-restraints excluded: chain B residue 4055 VAL Chi-restraints excluded: chain B residue 4064 MET Chi-restraints excluded: chain B residue 4067 LYS Chi-restraints excluded: chain B residue 4072 VAL Chi-restraints excluded: chain B residue 4075 GLU Chi-restraints excluded: chain B residue 4082 THR Chi-restraints excluded: chain B residue 4083 ASP Chi-restraints excluded: chain B residue 4087 LEU Chi-restraints excluded: chain B residue 4088 ILE Chi-restraints excluded: chain B residue 4098 ASP Chi-restraints excluded: chain B residue 4100 GLN Chi-restraints excluded: chain B residue 4106 PRO Chi-restraints excluded: chain B residue 4107 GLU Chi-restraints excluded: chain B residue 4109 GLN Chi-restraints excluded: chain B residue 4110 PHE Chi-restraints excluded: chain B residue 4113 SER Chi-restraints excluded: chain B residue 4116 GLU Chi-restraints excluded: chain B residue 4120 ASN Chi-restraints excluded: chain B residue 4123 ILE Chi-restraints excluded: chain B residue 4125 PHE Chi-restraints excluded: chain B residue 4127 GLU Chi-restraints excluded: chain B residue 4135 PRO Chi-restraints excluded: chain B residue 4139 ILE Chi-restraints excluded: chain B residue 4145 VAL Chi-restraints excluded: chain B residue 4154 VAL Chi-restraints excluded: chain B residue 4159 ARG Chi-restraints excluded: chain B residue 4170 ILE Chi-restraints excluded: chain B residue 4172 GLU Chi-restraints excluded: chain B residue 4178 LEU Chi-restraints excluded: chain B residue 4184 MET Chi-restraints excluded: chain B residue 4196 GLU Chi-restraints excluded: chain B residue 4200 THR Chi-restraints excluded: chain B residue 4220 ASP Chi-restraints excluded: chain B residue 4221 VAL Chi-restraints excluded: chain B residue 4232 GLU Chi-restraints excluded: chain B residue 4242 ILE Chi-restraints excluded: chain B residue 4244 GLU Chi-restraints excluded: chain B residue 4251 ILE Chi-restraints excluded: chain B residue 4546 VAL 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 4565 LEU Chi-restraints excluded: chain B residue 4568 PHE Chi-restraints excluded: chain B residue 4582 VAL Chi-restraints excluded: chain B residue 4632 LEU Chi-restraints excluded: chain B residue 4634 GLU Chi-restraints excluded: chain B residue 4645 CYS Chi-restraints excluded: chain B residue 4647 SER Chi-restraints excluded: chain B residue 4653 VAL Chi-restraints excluded: chain B residue 4662 ASN Chi-restraints excluded: chain B residue 4667 PRO Chi-restraints excluded: chain B residue 4669 VAL Chi-restraints excluded: chain B residue 4688 ILE Chi-restraints excluded: chain B residue 4689 THR Chi-restraints excluded: chain B residue 4694 ASP Chi-restraints excluded: chain B residue 4696 ASP Chi-restraints excluded: chain B residue 4697 VAL Chi-restraints excluded: chain B residue 4698 LYS Chi-restraints excluded: chain B residue 4700 GLN Chi-restraints excluded: chain B residue 4704 LEU Chi-restraints excluded: chain B residue 4707 ASN Chi-restraints excluded: chain B residue 4710 SER Chi-restraints excluded: chain B residue 4713 SER Chi-restraints excluded: chain B residue 4718 LYS Chi-restraints excluded: chain B residue 4722 ARG Chi-restraints excluded: chain B residue 4737 ILE Chi-restraints excluded: chain B residue 4741 LEU Chi-restraints excluded: chain B residue 4743 MET Chi-restraints excluded: chain B residue 4745 LEU Chi-restraints excluded: chain B residue 4766 THR Chi-restraints excluded: chain B residue 4788 SER Chi-restraints excluded: chain B residue 4796 MET Chi-restraints excluded: chain B residue 4816 ILE Chi-restraints excluded: chain B residue 4818 MET Chi-restraints excluded: chain B residue 4825 THR Chi-restraints excluded: chain B residue 4836 GLN Chi-restraints excluded: chain B residue 4838 VAL Chi-restraints excluded: chain B residue 4850 LEU Chi-restraints excluded: chain B residue 4869 GLU Chi-restraints excluded: chain B residue 4870 ASP Chi-restraints excluded: chain B residue 4876 CYS Chi-restraints excluded: chain B residue 4879 MET Chi-restraints excluded: chain B residue 4880 MET Chi-restraints excluded: chain B residue 4881 THR Chi-restraints excluded: chain B residue 4901 ILE Chi-restraints excluded: chain B residue 4918 ILE Chi-restraints excluded: chain B residue 4919 THR Chi-restraints excluded: chain B residue 4948 GLU Chi-restraints excluded: chain B residue 4952 GLU Chi-restraints excluded: chain B residue 4954 MET Chi-restraints excluded: chain B residue 4956 THR Chi-restraints excluded: chain B residue 4957 LYS Chi-restraints excluded: chain B residue 4961 CYS Chi-restraints excluded: chain B residue 4965 SER Chi-restraints excluded: chain B residue 4966 ASP Chi-restraints excluded: chain B residue 4980 LEU Chi-restraints excluded: chain B residue 4992 LEU Chi-restraints excluded: chain B residue 5002 GLU Chi-restraints excluded: chain B residue 5008 SER Chi-restraints excluded: chain B residue 5023 PRO Chi-restraints excluded: chain C residue 13 PHE Chi-restraints excluded: chain C residue 18 ASP Chi-restraints excluded: chain C residue 23 GLN Chi-restraints excluded: chain C residue 24 CYS Chi-restraints excluded: chain C residue 25 SER 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 47 CYS Chi-restraints excluded: chain C residue 54 ASN Chi-restraints excluded: chain C residue 66 CYS Chi-restraints excluded: chain C residue 75 VAL Chi-restraints excluded: chain C residue 78 LEU Chi-restraints excluded: chain C residue 81 MET Chi-restraints excluded: chain C residue 82 LEU Chi-restraints excluded: chain C residue 99 ARG Chi-restraints excluded: chain C residue 109 LEU Chi-restraints excluded: chain C residue 115 ARG Chi-restraints excluded: chain C residue 118 LEU Chi-restraints excluded: chain C residue 119 SER Chi-restraints excluded: chain C residue 120 CYS Chi-restraints excluded: chain C residue 125 ARG Chi-restraints excluded: chain C residue 128 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 146 CYS Chi-restraints excluded: chain C residue 149 THR Chi-restraints excluded: chain C residue 156 GLN Chi-restraints excluded: chain C residue 167 ASP Chi-restraints excluded: chain C residue 169 LEU Chi-restraints excluded: chain C residue 184 THR Chi-restraints excluded: chain C residue 188 GLU Chi-restraints excluded: chain C residue 190 GLN Chi-restraints excluded: chain C residue 197 GLN Chi-restraints excluded: chain C residue 202 MET Chi-restraints excluded: chain C residue 203 ASN Chi-restraints excluded: chain C residue 205 ILE Chi-restraints excluded: chain C residue 210 GLU Chi-restraints excluded: chain C residue 214 VAL Chi-restraints excluded: chain C residue 215 THR Chi-restraints excluded: chain C residue 218 HIS Chi-restraints excluded: chain C residue 220 LEU Chi-restraints excluded: chain C residue 232 THR Chi-restraints excluded: chain C residue 237 ASP Chi-restraints excluded: chain C residue 253 CYS Chi-restraints excluded: chain C residue 255 HIS Chi-restraints excluded: chain C residue 257 ARG Chi-restraints excluded: chain C residue 258 SER Chi-restraints excluded: chain C residue 264 PRO Chi-restraints excluded: chain C residue 265 LEU Chi-restraints excluded: chain C residue 266 ARG Chi-restraints excluded: chain C residue 268 SER Chi-restraints excluded: chain C residue 272 SER Chi-restraints excluded: chain C residue 281 ARG Chi-restraints excluded: chain C residue 286 THR Chi-restraints excluded: chain C residue 290 TYR Chi-restraints excluded: chain C residue 291 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 305 CYS Chi-restraints excluded: chain C residue 309 THR 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 317 ARG Chi-restraints excluded: chain C residue 318 VAL Chi-restraints excluded: chain C residue 319 SER Chi-restraints excluded: chain C residue 320 LYS Chi-restraints excluded: chain C residue 321 GLU Chi-restraints excluded: chain C residue 322 LYS Chi-restraints excluded: chain C residue 334 MET Chi-restraints excluded: chain C residue 339 ILE Chi-restraints excluded: chain C residue 346 CYS Chi-restraints excluded: chain C residue 348 VAL Chi-restraints excluded: chain C residue 353 SER Chi-restraints excluded: chain C residue 358 THR Chi-restraints excluded: chain C residue 359 TYR Chi-restraints excluded: chain C residue 377 ILE Chi-restraints excluded: chain C residue 379 HIS Chi-restraints excluded: chain C residue 386 ASP Chi-restraints excluded: chain C residue 389 PHE Chi-restraints excluded: chain C residue 392 ARG Chi-restraints excluded: chain C residue 396 GLU Chi-restraints excluded: chain C residue 397 GLU Chi-restraints excluded: chain C residue 404 ILE Chi-restraints excluded: chain C residue 405 HIS Chi-restraints excluded: chain C residue 407 THR Chi-restraints excluded: chain C residue 413 GLN Chi-restraints excluded: chain C residue 420 SER Chi-restraints excluded: chain C residue 441 VAL Chi-restraints excluded: chain C residue 442 ILE Chi-restraints excluded: chain C residue 447 ASP Chi-restraints excluded: chain C residue 448 LEU Chi-restraints excluded: chain C residue 456 SER Chi-restraints excluded: chain C residue 470 SER Chi-restraints excluded: chain C residue 473 ASN Chi-restraints excluded: chain C residue 479 GLN Chi-restraints excluded: chain C residue 481 GLU Chi-restraints excluded: chain C residue 484 LEU Chi-restraints excluded: chain C residue 487 VAL Chi-restraints excluded: chain C residue 494 LEU Chi-restraints excluded: chain C residue 495 ASN Chi-restraints excluded: chain C residue 503 PHE Chi-restraints excluded: chain C residue 505 GLU Chi-restraints excluded: chain C residue 521 LEU Chi-restraints excluded: chain C residue 528 SER 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 540 PHE Chi-restraints excluded: chain C residue 545 ASP Chi-restraints excluded: chain C residue 549 SER Chi-restraints excluded: chain C residue 551 LEU Chi-restraints excluded: chain C residue 552 ASP Chi-restraints excluded: chain C residue 560 ILE Chi-restraints excluded: chain C residue 569 ILE Chi-restraints excluded: chain C residue 575 LEU Chi-restraints excluded: chain C residue 577 ILE Chi-restraints excluded: chain C residue 578 ILE Chi-restraints excluded: chain C residue 580 GLU Chi-restraints excluded: chain C residue 587 ILE Chi-restraints excluded: chain C residue 590 LEU Chi-restraints excluded: chain C residue 605 SER Chi-restraints excluded: chain C residue 612 VAL Chi-restraints excluded: chain C residue 621 ILE Chi-restraints excluded: chain C residue 625 LEU Chi-restraints excluded: chain C residue 629 ARG Chi-restraints excluded: chain C residue 637 LEU Chi-restraints excluded: chain C residue 652 ARG Chi-restraints excluded: chain C residue 657 THR Chi-restraints excluded: chain C residue 659 TYR Chi-restraints excluded: chain C residue 663 TYR Chi-restraints excluded: chain C residue 667 MET Chi-restraints excluded: chain C residue 668 VAL Chi-restraints excluded: chain C residue 675 LEU 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 707 VAL Chi-restraints excluded: chain C residue 709 ASP Chi-restraints excluded: chain C residue 710 ASP Chi-restraints excluded: chain C residue 723 THR Chi-restraints excluded: chain C residue 736 HIS Chi-restraints excluded: chain C residue 751 SER Chi-restraints excluded: chain C residue 752 VAL Chi-restraints excluded: chain C residue 755 ILE Chi-restraints excluded: chain C residue 756 SER Chi-restraints excluded: chain C residue 758 ARG Chi-restraints excluded: chain C residue 760 ASN Chi-restraints excluded: chain C residue 768 PHE Chi-restraints excluded: chain C residue 773 LEU Chi-restraints excluded: chain C residue 781 VAL Chi-restraints excluded: chain C residue 788 LYS Chi-restraints excluded: chain C residue 800 PHE Chi-restraints excluded: chain C residue 801 LYS Chi-restraints excluded: chain C residue 802 PHE Chi-restraints excluded: chain C residue 803 LEU Chi-restraints excluded: chain C residue 823 LEU Chi-restraints excluded: chain C residue 826 ILE Chi-restraints excluded: chain C residue 831 ARG Chi-restraints excluded: chain C residue 840 VAL Chi-restraints excluded: chain C residue 870 ILE Chi-restraints excluded: chain C residue 924 MET Chi-restraints excluded: chain C residue 925 SER Chi-restraints excluded: chain C residue 928 THR Chi-restraints excluded: chain C residue 933 LEU Chi-restraints excluded: chain C residue 974 HIS Chi-restraints excluded: chain C residue 978 THR Chi-restraints excluded: chain C residue 1043 VAL Chi-restraints excluded: chain C residue 1072 VAL Chi-restraints excluded: chain C residue 1074 ILE Chi-restraints excluded: chain C residue 1085 SER Chi-restraints excluded: chain C residue 1087 ARG Chi-restraints excluded: chain C residue 1093 GLU Chi-restraints excluded: chain C residue 1095 VAL Chi-restraints excluded: chain C residue 1106 ARG Chi-restraints excluded: chain C residue 1109 LEU Chi-restraints excluded: chain C residue 1113 VAL Chi-restraints excluded: chain C residue 1123 VAL Chi-restraints excluded: chain C residue 1127 HIS Chi-restraints excluded: chain C residue 1131 ARG Chi-restraints excluded: chain C residue 1136 SER Chi-restraints excluded: chain C residue 1137 GLU Chi-restraints excluded: chain C residue 1141 ARG Chi-restraints excluded: chain C residue 1143 TRP Chi-restraints excluded: chain C residue 1145 SER Chi-restraints excluded: chain C residue 1147 ASP Chi-restraints excluded: chain C residue 1151 CYS Chi-restraints excluded: chain C residue 1152 MET Chi-restraints excluded: chain C residue 1153 ILE Chi-restraints excluded: chain C residue 1154 ASP Chi-restraints excluded: chain C residue 1155 LEU Chi-restraints excluded: chain C residue 1163 THR Chi-restraints excluded: chain C residue 1164 LEU Chi-restraints excluded: chain C residue 1168 VAL Chi-restraints excluded: chain C residue 1170 MET Chi-restraints excluded: chain C residue 1173 SER Chi-restraints excluded: chain C residue 1179 PHE Chi-restraints excluded: chain C residue 1190 PRO Chi-restraints excluded: chain C residue 1192 CYS Chi-restraints excluded: chain C residue 1193 SER Chi-restraints excluded: chain C residue 1198 GLN Chi-restraints excluded: chain C residue 1202 LEU Chi-restraints excluded: chain C residue 1204 LEU Chi-restraints excluded: chain C residue 1208 VAL Chi-restraints excluded: chain C residue 1216 ILE Chi-restraints excluded: chain C residue 1219 LEU Chi-restraints excluded: chain C residue 1221 GLU Chi-restraints excluded: chain C residue 1226 PHE Chi-restraints excluded: chain C residue 1234 VAL Chi-restraints excluded: chain C residue 1238 PHE Chi-restraints excluded: chain C residue 1241 SER 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 1259 ARG Chi-restraints excluded: chain C residue 1269 CYS Chi-restraints excluded: chain C residue 1271 ARG Chi-restraints excluded: chain C residue 1272 LEU Chi-restraints excluded: chain C residue 1282 SER Chi-restraints excluded: chain C residue 1283 LEU Chi-restraints excluded: chain C residue 1287 LEU Chi-restraints excluded: chain C residue 1431 THR Chi-restraints excluded: chain C residue 1437 VAL Chi-restraints excluded: chain C residue 1439 VAL Chi-restraints excluded: chain C residue 1444 GLU Chi-restraints excluded: chain C residue 1457 TYR Chi-restraints excluded: chain C residue 1460 HIS Chi-restraints excluded: chain C residue 1462 MET Chi-restraints excluded: chain C residue 1466 LEU Chi-restraints excluded: chain C residue 1467 SER Chi-restraints excluded: chain C residue 1468 LYS Chi-restraints excluded: chain C residue 1469 VAL Chi-restraints excluded: chain C residue 1472 VAL Chi-restraints excluded: chain C residue 1485 SER Chi-restraints excluded: chain C residue 1486 SER Chi-restraints excluded: chain C residue 1576 SER Chi-restraints excluded: chain C residue 1580 PHE Chi-restraints excluded: chain C residue 1595 LEU Chi-restraints excluded: chain C residue 1597 VAL Chi-restraints excluded: chain C residue 1599 MET Chi-restraints excluded: chain C residue 1600 LEU Chi-restraints excluded: chain C residue 1603 VAL Chi-restraints excluded: chain C residue 1607 ARG Chi-restraints excluded: chain C residue 1610 ASN Chi-restraints excluded: chain C residue 1632 ASP Chi-restraints excluded: chain C residue 1634 LEU Chi-restraints excluded: chain C residue 1641 ILE Chi-restraints excluded: chain C residue 1642 PRO Chi-restraints excluded: chain C residue 1647 CYS Chi-restraints excluded: chain C residue 1657 LEU Chi-restraints excluded: chain C residue 1666 THR Chi-restraints excluded: chain C residue 1668 ARG Chi-restraints excluded: chain C residue 1671 ARG 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 1685 LEU Chi-restraints excluded: chain C residue 1687 SER Chi-restraints excluded: chain C residue 1689 VAL Chi-restraints excluded: chain C residue 1698 LEU Chi-restraints excluded: chain C residue 1699 GLU Chi-restraints excluded: chain C residue 1700 ASP Chi-restraints excluded: chain C residue 1704 PRO Chi-restraints excluded: chain C residue 1706 PRO Chi-restraints excluded: chain C residue 1717 SER Chi-restraints excluded: chain C residue 1720 LEU Chi-restraints excluded: chain C residue 1733 GLU Chi-restraints excluded: chain C residue 1736 VAL Chi-restraints excluded: chain C residue 1738 LEU Chi-restraints excluded: chain C residue 1739 THR Chi-restraints excluded: chain C residue 1760 HIS Chi-restraints excluded: chain C residue 1770 SER Chi-restraints excluded: chain C residue 1771 LEU 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 1802 ILE Chi-restraints excluded: chain C residue 1812 LEU Chi-restraints excluded: chain C residue 1815 LEU Chi-restraints excluded: chain C residue 1830 VAL Chi-restraints excluded: chain C residue 1834 VAL Chi-restraints excluded: chain C residue 1835 GLU Chi-restraints excluded: chain C residue 1837 GLN Chi-restraints excluded: chain C residue 1849 LEU Chi-restraints excluded: chain C residue 1857 GLU Chi-restraints excluded: chain C residue 1858 ASP Chi-restraints excluded: chain C residue 1869 GLU Chi-restraints excluded: chain C residue 1872 THR Chi-restraints excluded: chain C residue 1873 GLU Chi-restraints excluded: chain C residue 1929 MET Chi-restraints excluded: chain C residue 1930 LYS Chi-restraints excluded: chain C residue 1934 SER Chi-restraints excluded: chain C residue 1955 VAL Chi-restraints excluded: chain C residue 1961 PHE Chi-restraints excluded: chain C residue 1966 VAL Chi-restraints excluded: chain C residue 1969 LEU Chi-restraints excluded: chain C residue 1987 SER Chi-restraints excluded: chain C residue 1995 THR Chi-restraints excluded: chain C residue 2037 ASP Chi-restraints excluded: chain C residue 2039 LEU Chi-restraints excluded: chain C residue 2044 ILE Chi-restraints excluded: chain C residue 2093 SER Chi-restraints excluded: chain C residue 2094 LEU Chi-restraints excluded: chain C residue 2095 GLN Chi-restraints excluded: chain C residue 2097 LEU Chi-restraints excluded: chain C residue 2098 VAL Chi-restraints excluded: chain C residue 2111 VAL Chi-restraints excluded: chain C residue 2122 SER Chi-restraints excluded: chain C residue 2136 ARG 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 2156 LEU Chi-restraints excluded: chain C residue 2161 GLN Chi-restraints excluded: chain C residue 2166 LEU Chi-restraints excluded: chain C residue 2167 ILE Chi-restraints excluded: chain C residue 2169 GLN Chi-restraints excluded: chain C residue 2170 MET Chi-restraints excluded: chain C residue 2175 GLU Chi-restraints excluded: chain C residue 2186 MET Chi-restraints excluded: chain C residue 2187 ASN Chi-restraints excluded: chain C residue 2197 LEU Chi-restraints excluded: chain C residue 2199 ARG Chi-restraints excluded: chain C residue 2221 LYS Chi-restraints excluded: chain C residue 2225 PHE Chi-restraints excluded: chain C residue 2227 LYS Chi-restraints excluded: chain C residue 2228 MET Chi-restraints excluded: chain C residue 2229 VAL Chi-restraints excluded: chain C residue 2230 THR Chi-restraints excluded: chain C residue 2231 SER Chi-restraints excluded: chain C residue 2238 TYR Chi-restraints excluded: chain C residue 2241 ARG Chi-restraints excluded: chain C residue 2242 ILE Chi-restraints excluded: chain C residue 2244 ARG Chi-restraints excluded: chain C residue 2248 ARG Chi-restraints excluded: chain C residue 2270 SER Chi-restraints excluded: chain C residue 2274 ASP Chi-restraints excluded: chain C residue 2275 VAL Chi-restraints excluded: chain C residue 2280 VAL Chi-restraints excluded: chain C residue 2281 ILE Chi-restraints excluded: chain C residue 2290 LEU Chi-restraints excluded: chain C residue 2293 GLN Chi-restraints excluded: chain C residue 2294 ASP Chi-restraints excluded: chain C residue 2295 LEU Chi-restraints excluded: chain C residue 2296 GLU Chi-restraints excluded: chain C residue 2299 VAL Chi-restraints excluded: chain C residue 2300 SER Chi-restraints excluded: chain C residue 2312 MET Chi-restraints excluded: chain C residue 2324 ASN Chi-restraints excluded: chain C residue 2333 ASP Chi-restraints excluded: chain C residue 2336 ARG Chi-restraints excluded: chain C residue 2341 VAL Chi-restraints excluded: chain C residue 2345 SER Chi-restraints excluded: chain C residue 2346 VAL Chi-restraints excluded: chain C residue 2352 VAL Chi-restraints excluded: chain C residue 2353 VAL Chi-restraints excluded: chain C residue 2359 ARG Chi-restraints excluded: chain C residue 2368 LEU Chi-restraints excluded: chain C residue 2377 LEU Chi-restraints excluded: chain C residue 2387 SER Chi-restraints excluded: chain C residue 2416 VAL Chi-restraints excluded: chain C residue 2423 MET Chi-restraints excluded: chain C residue 2430 ILE Chi-restraints excluded: chain C residue 2442 LEU Chi-restraints excluded: chain C residue 2454 ARG Chi-restraints excluded: chain C residue 2460 LEU Chi-restraints excluded: chain C residue 2461 VAL Chi-restraints excluded: chain C residue 2474 LEU Chi-restraints excluded: chain C residue 2479 LEU Chi-restraints excluded: chain C residue 3646 THR Chi-restraints excluded: chain C residue 3652 MET Chi-restraints excluded: chain C residue 3656 SER Chi-restraints excluded: chain C residue 3661 TRP Chi-restraints excluded: chain C residue 3662 ILE Chi-restraints excluded: chain C residue 3669 PHE Chi-restraints excluded: chain C residue 3670 GLU Chi-restraints excluded: chain C residue 3678 SER Chi-restraints excluded: chain C residue 3694 LYS Chi-restraints excluded: chain C residue 3696 ASP Chi-restraints excluded: chain C residue 3707 ARG Chi-restraints excluded: chain C residue 3711 THR Chi-restraints excluded: chain C residue 3719 ASP Chi-restraints excluded: chain C residue 3732 SER Chi-restraints excluded: chain C residue 3733 CYS Chi-restraints excluded: chain C residue 3752 SER Chi-restraints excluded: chain C residue 3754 GLU Chi-restraints excluded: chain C residue 3764 LEU Chi-restraints excluded: chain C residue 3772 THR Chi-restraints excluded: chain C residue 3779 VAL Chi-restraints excluded: chain C residue 3793 MET Chi-restraints excluded: chain C residue 3795 SER Chi-restraints excluded: chain C residue 3803 SER Chi-restraints excluded: chain C residue 3822 ASP Chi-restraints excluded: chain C residue 3826 VAL Chi-restraints excluded: chain C residue 3837 GLN Chi-restraints excluded: chain C residue 3873 LYS Chi-restraints excluded: chain C residue 3893 GLU Chi-restraints excluded: chain C residue 3904 ARG Chi-restraints excluded: chain C residue 3905 THR Chi-restraints excluded: chain C residue 3907 THR Chi-restraints excluded: chain C residue 3916 ILE Chi-restraints excluded: chain C residue 3924 LEU Chi-restraints excluded: chain C residue 3929 SER Chi-restraints excluded: chain C residue 3930 ILE Chi-restraints excluded: chain C residue 3933 PHE Chi-restraints excluded: chain C residue 3938 SER Chi-restraints excluded: chain C residue 3942 VAL Chi-restraints excluded: chain C residue 3945 GLU Chi-restraints excluded: chain C residue 3952 SER Chi-restraints excluded: chain C residue 3967 GLU Chi-restraints excluded: chain C residue 3969 ILE Chi-restraints excluded: chain C residue 3970 GLN Chi-restraints excluded: chain C residue 3995 VAL Chi-restraints excluded: chain C residue 4005 GLN Chi-restraints excluded: chain C residue 4007 SER Chi-restraints excluded: chain C residue 4008 SER Chi-restraints excluded: chain C residue 4014 LYS Chi-restraints excluded: chain C residue 4018 ASP 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 4048 LEU Chi-restraints excluded: chain C residue 4049 VAL Chi-restraints excluded: chain C residue 4051 SER Chi-restraints excluded: chain C residue 4052 SER Chi-restraints excluded: chain C residue 4053 SER Chi-restraints excluded: chain C residue 4055 VAL Chi-restraints excluded: chain C residue 4064 MET Chi-restraints excluded: chain C residue 4067 LYS Chi-restraints excluded: chain C residue 4072 VAL Chi-restraints excluded: chain C residue 4075 GLU Chi-restraints excluded: chain C residue 4082 THR Chi-restraints excluded: chain C residue 4083 ASP Chi-restraints excluded: chain C residue 4088 ILE Chi-restraints excluded: chain C residue 4098 ASP Chi-restraints excluded: chain C residue 4100 GLN Chi-restraints excluded: chain C residue 4106 PRO Chi-restraints excluded: chain C residue 4107 GLU Chi-restraints excluded: chain C residue 4109 GLN Chi-restraints excluded: chain C residue 4110 PHE Chi-restraints excluded: chain C residue 4112 LEU Chi-restraints excluded: chain C residue 4113 SER Chi-restraints excluded: chain C residue 4120 ASN Chi-restraints excluded: chain C residue 4123 ILE Chi-restraints excluded: chain C residue 4125 PHE Chi-restraints excluded: chain C residue 4127 GLU Chi-restraints excluded: chain C residue 4135 PRO Chi-restraints excluded: chain C residue 4139 ILE Chi-restraints excluded: chain C residue 4145 VAL Chi-restraints excluded: chain C residue 4154 VAL Chi-restraints excluded: chain C residue 4159 ARG Chi-restraints excluded: chain C residue 4170 ILE Chi-restraints excluded: chain C residue 4172 GLU Chi-restraints excluded: chain C residue 4176 PRO 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 4184 MET Chi-restraints excluded: chain C residue 4196 GLU Chi-restraints excluded: chain C residue 4200 THR Chi-restraints excluded: chain C residue 4202 ARG Chi-restraints excluded: chain C residue 4220 ASP Chi-restraints excluded: chain C residue 4221 VAL Chi-restraints excluded: chain C residue 4232 GLU Chi-restraints excluded: chain C residue 4242 ILE Chi-restraints excluded: chain C residue 4244 GLU Chi-restraints excluded: chain C residue 4251 ILE Chi-restraints excluded: chain C residue 4546 VAL 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 4582 VAL Chi-restraints excluded: chain C residue 4632 LEU Chi-restraints excluded: chain C residue 4634 GLU Chi-restraints excluded: chain C residue 4645 CYS Chi-restraints excluded: chain C residue 4647 SER Chi-restraints excluded: chain C residue 4653 VAL Chi-restraints excluded: chain C residue 4662 ASN Chi-restraints excluded: chain C residue 4667 PRO Chi-restraints excluded: chain C residue 4669 VAL Chi-restraints excluded: chain C residue 4688 ILE Chi-restraints excluded: chain C residue 4689 THR Chi-restraints excluded: chain C residue 4690 GLU Chi-restraints excluded: chain C residue 4694 ASP Chi-restraints excluded: chain C residue 4695 ASP Chi-restraints excluded: chain C residue 4698 LYS Chi-restraints excluded: chain C residue 4704 LEU Chi-restraints excluded: chain C residue 4707 ASN Chi-restraints excluded: chain C residue 4710 SER Chi-restraints excluded: chain C residue 4713 SER Chi-restraints excluded: chain C residue 4718 LYS Chi-restraints excluded: chain C residue 4722 ARG Chi-restraints excluded: chain C residue 4737 ILE Chi-restraints excluded: chain C residue 4741 LEU Chi-restraints excluded: chain C residue 4743 MET Chi-restraints excluded: chain C residue 4745 LEU Chi-restraints excluded: chain C residue 4766 THR Chi-restraints excluded: chain C residue 4788 SER Chi-restraints excluded: chain C residue 4816 ILE Chi-restraints excluded: chain C residue 4818 MET Chi-restraints excluded: chain C residue 4825 THR Chi-restraints excluded: chain C residue 4836 GLN Chi-restraints excluded: chain C residue 4838 VAL Chi-restraints excluded: chain C residue 4850 LEU Chi-restraints excluded: chain C residue 4869 GLU Chi-restraints excluded: chain C residue 4870 ASP Chi-restraints excluded: chain C residue 4876 CYS Chi-restraints excluded: chain C residue 4879 MET Chi-restraints excluded: chain C residue 4880 MET Chi-restraints excluded: chain C residue 4881 THR Chi-restraints excluded: chain C residue 4901 ILE Chi-restraints excluded: chain C residue 4918 ILE Chi-restraints excluded: chain C residue 4919 THR Chi-restraints excluded: chain C residue 4942 GLU Chi-restraints excluded: chain C residue 4948 GLU Chi-restraints excluded: chain C residue 4952 GLU Chi-restraints excluded: chain C residue 4954 MET Chi-restraints excluded: chain C residue 4956 THR Chi-restraints excluded: chain C residue 4957 LYS Chi-restraints excluded: chain C residue 4961 CYS Chi-restraints excluded: chain C residue 4965 SER Chi-restraints excluded: chain C residue 4966 ASP Chi-restraints excluded: chain C residue 4980 LEU Chi-restraints excluded: chain C residue 4992 LEU Chi-restraints excluded: chain C residue 5002 GLU Chi-restraints excluded: chain C residue 5008 SER Chi-restraints excluded: chain C residue 5023 PRO Chi-restraints excluded: chain D residue 13 PHE Chi-restraints excluded: chain D residue 18 ASP Chi-restraints excluded: chain D residue 24 CYS Chi-restraints excluded: chain D residue 25 SER Chi-restraints excluded: chain D residue 35 LEU Chi-restraints excluded: chain D residue 47 CYS Chi-restraints excluded: chain D residue 54 ASN Chi-restraints excluded: chain D residue 66 CYS Chi-restraints excluded: chain D residue 75 VAL Chi-restraints excluded: chain D residue 78 LEU Chi-restraints excluded: chain D residue 81 MET Chi-restraints excluded: chain D residue 82 LEU Chi-restraints excluded: chain D residue 99 ARG Chi-restraints excluded: chain D residue 109 LEU Chi-restraints excluded: chain D residue 115 ARG Chi-restraints excluded: chain D residue 119 SER Chi-restraints excluded: chain D residue 120 CYS Chi-restraints excluded: chain D residue 125 ARG Chi-restraints excluded: chain D residue 128 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 146 CYS Chi-restraints excluded: chain D residue 149 THR Chi-restraints excluded: chain D residue 156 GLN Chi-restraints excluded: chain D residue 167 ASP Chi-restraints excluded: chain D residue 169 LEU Chi-restraints excluded: chain D residue 184 THR Chi-restraints excluded: chain D residue 188 GLU Chi-restraints excluded: chain D residue 189 LEU Chi-restraints excluded: chain D residue 190 GLN Chi-restraints excluded: chain D residue 194 SER Chi-restraints excluded: chain D residue 197 GLN Chi-restraints excluded: chain D residue 202 MET Chi-restraints excluded: chain D residue 203 ASN Chi-restraints excluded: chain D residue 205 ILE Chi-restraints excluded: chain D residue 210 GLU Chi-restraints excluded: chain D residue 214 VAL Chi-restraints excluded: chain D residue 215 THR Chi-restraints excluded: chain D residue 218 HIS Chi-restraints excluded: chain D residue 220 LEU Chi-restraints excluded: chain D residue 232 THR Chi-restraints excluded: chain D residue 237 ASP Chi-restraints excluded: chain D residue 253 CYS Chi-restraints excluded: chain D residue 255 HIS Chi-restraints excluded: chain D residue 257 ARG Chi-restraints excluded: chain D residue 258 SER Chi-restraints excluded: chain D residue 264 PRO Chi-restraints excluded: chain D residue 265 LEU Chi-restraints excluded: chain D residue 266 ARG Chi-restraints excluded: chain D residue 268 SER Chi-restraints excluded: chain D residue 272 SER Chi-restraints excluded: chain D residue 281 ARG Chi-restraints excluded: chain D residue 286 THR Chi-restraints excluded: chain D residue 290 TYR Chi-restraints excluded: chain D residue 291 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 305 CYS Chi-restraints excluded: chain D residue 309 THR Chi-restraints excluded: chain D residue 315 CYS Chi-restraints excluded: chain D residue 317 ARG Chi-restraints excluded: chain D residue 318 VAL Chi-restraints excluded: chain D residue 319 SER Chi-restraints excluded: chain D residue 320 LYS Chi-restraints excluded: chain D residue 321 GLU Chi-restraints excluded: chain D residue 334 MET Chi-restraints excluded: chain D residue 339 ILE Chi-restraints excluded: chain D residue 346 CYS Chi-restraints excluded: chain D residue 348 VAL Chi-restraints excluded: chain D residue 353 SER Chi-restraints excluded: chain D residue 358 THR Chi-restraints excluded: chain D residue 359 TYR Chi-restraints excluded: chain D residue 363 ASP Chi-restraints excluded: chain D residue 377 ILE Chi-restraints excluded: chain D residue 384 MET Chi-restraints excluded: chain D residue 386 ASP Chi-restraints excluded: chain D residue 389 PHE Chi-restraints excluded: chain D residue 392 ARG Chi-restraints excluded: chain D residue 396 GLU Chi-restraints excluded: chain D residue 397 GLU Chi-restraints excluded: chain D residue 404 ILE Chi-restraints excluded: chain D residue 405 HIS Chi-restraints excluded: chain D residue 407 THR Chi-restraints excluded: chain D residue 413 GLN Chi-restraints excluded: chain D residue 420 SER Chi-restraints excluded: chain D residue 441 VAL Chi-restraints excluded: chain D residue 442 ILE Chi-restraints excluded: chain D residue 447 ASP Chi-restraints excluded: chain D residue 448 LEU Chi-restraints excluded: chain D residue 456 SER Chi-restraints excluded: chain D residue 470 SER Chi-restraints excluded: chain D residue 473 ASN Chi-restraints excluded: chain D residue 479 GLN Chi-restraints excluded: chain D residue 481 GLU Chi-restraints excluded: chain D residue 484 LEU Chi-restraints excluded: chain D residue 487 VAL Chi-restraints excluded: chain D residue 494 LEU Chi-restraints excluded: chain D residue 495 ASN Chi-restraints excluded: chain D residue 505 GLU Chi-restraints excluded: chain D residue 510 GLU Chi-restraints excluded: chain D residue 521 LEU Chi-restraints excluded: chain D residue 528 SER 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 540 PHE Chi-restraints excluded: chain D residue 545 ASP Chi-restraints excluded: chain D residue 549 SER Chi-restraints excluded: chain D residue 554 LEU Chi-restraints excluded: chain D residue 560 ILE Chi-restraints excluded: chain D residue 569 ILE Chi-restraints excluded: chain D residue 575 LEU Chi-restraints excluded: chain D residue 577 ILE Chi-restraints excluded: chain D residue 578 ILE Chi-restraints excluded: chain D residue 580 GLU Chi-restraints excluded: chain D residue 587 ILE Chi-restraints excluded: chain D residue 612 VAL Chi-restraints excluded: chain D residue 621 ILE Chi-restraints excluded: chain D residue 625 LEU Chi-restraints excluded: chain D residue 629 ARG Chi-restraints excluded: chain D residue 637 LEU Chi-restraints excluded: chain D residue 645 ARG Chi-restraints excluded: chain D residue 652 ARG Chi-restraints excluded: chain D residue 667 MET Chi-restraints excluded: chain D residue 668 VAL Chi-restraints excluded: chain D residue 672 VAL Chi-restraints excluded: chain D residue 675 LEU 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 707 VAL Chi-restraints excluded: chain D residue 709 ASP Chi-restraints excluded: chain D residue 710 ASP Chi-restraints excluded: chain D residue 723 THR Chi-restraints excluded: chain D residue 751 SER Chi-restraints excluded: chain D residue 755 ILE 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 768 PHE Chi-restraints excluded: chain D residue 773 LEU Chi-restraints excluded: chain D residue 778 PHE Chi-restraints excluded: chain D residue 781 VAL Chi-restraints excluded: chain D residue 788 LYS Chi-restraints excluded: chain D residue 800 PHE Chi-restraints excluded: chain D residue 801 LYS Chi-restraints excluded: chain D residue 821 LEU Chi-restraints excluded: chain D residue 826 ILE Chi-restraints excluded: chain D residue 831 ARG Chi-restraints excluded: chain D residue 840 VAL Chi-restraints excluded: chain D residue 870 ILE Chi-restraints excluded: chain D residue 917 GLU Chi-restraints excluded: chain D residue 921 ASN Chi-restraints excluded: chain D residue 924 MET Chi-restraints excluded: chain D residue 925 SER Chi-restraints excluded: chain D residue 932 LEU Chi-restraints excluded: chain D residue 961 MET Chi-restraints excluded: chain D residue 978 THR Chi-restraints excluded: chain D residue 1043 VAL Chi-restraints excluded: chain D residue 1072 VAL Chi-restraints excluded: chain D residue 1074 ILE Chi-restraints excluded: chain D residue 1085 SER Chi-restraints excluded: chain D residue 1087 ARG Chi-restraints excluded: chain D residue 1093 GLU Chi-restraints excluded: chain D residue 1095 VAL Chi-restraints excluded: chain D residue 1106 ARG Chi-restraints excluded: chain D residue 1113 VAL Chi-restraints excluded: chain D residue 1123 VAL Chi-restraints excluded: chain D residue 1127 HIS Chi-restraints excluded: chain D residue 1131 ARG Chi-restraints excluded: chain D residue 1137 GLU Chi-restraints excluded: chain D residue 1139 PHE Chi-restraints excluded: chain D residue 1143 TRP Chi-restraints excluded: chain D residue 1145 SER Chi-restraints excluded: chain D residue 1147 ASP Chi-restraints excluded: chain D residue 1151 CYS Chi-restraints excluded: chain D residue 1152 MET Chi-restraints excluded: chain D residue 1153 ILE Chi-restraints excluded: chain D residue 1154 ASP Chi-restraints excluded: chain D residue 1155 LEU Chi-restraints excluded: chain D residue 1163 THR Chi-restraints excluded: chain D residue 1164 LEU Chi-restraints excluded: chain D residue 1168 VAL Chi-restraints excluded: chain D residue 1169 LEU Chi-restraints excluded: chain D residue 1173 SER Chi-restraints excluded: chain D residue 1182 ILE Chi-restraints excluded: chain D residue 1190 PRO Chi-restraints excluded: chain D residue 1192 CYS Chi-restraints excluded: chain D residue 1193 SER Chi-restraints excluded: chain D residue 1198 GLN Chi-restraints excluded: chain D residue 1202 LEU Chi-restraints excluded: chain D residue 1204 LEU Chi-restraints excluded: chain D residue 1208 VAL Chi-restraints excluded: chain D residue 1216 ILE Chi-restraints excluded: chain D residue 1219 LEU Chi-restraints excluded: chain D residue 1234 VAL Chi-restraints excluded: chain D residue 1238 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 1259 ARG Chi-restraints excluded: chain D residue 1260 MET Chi-restraints excluded: chain D residue 1269 CYS Chi-restraints excluded: chain D residue 1271 ARG Chi-restraints excluded: chain D residue 1282 SER Chi-restraints excluded: chain D residue 1283 LEU Chi-restraints excluded: chain D residue 1287 LEU Chi-restraints excluded: chain D residue 1431 THR Chi-restraints excluded: chain D residue 1437 VAL Chi-restraints excluded: chain D residue 1439 VAL Chi-restraints excluded: chain D residue 1457 TYR Chi-restraints excluded: chain D residue 1460 HIS Chi-restraints excluded: chain D residue 1466 LEU Chi-restraints excluded: chain D residue 1467 SER Chi-restraints excluded: chain D residue 1468 LYS Chi-restraints excluded: chain D residue 1469 VAL Chi-restraints excluded: chain D residue 1472 VAL Chi-restraints excluded: chain D residue 1483 VAL Chi-restraints excluded: chain D residue 1485 SER Chi-restraints excluded: chain D residue 1486 SER Chi-restraints excluded: chain D residue 1576 SER Chi-restraints excluded: chain D residue 1580 PHE Chi-restraints excluded: chain D residue 1595 LEU Chi-restraints excluded: chain D residue 1597 VAL Chi-restraints excluded: chain D residue 1599 MET Chi-restraints excluded: chain D residue 1600 LEU Chi-restraints excluded: chain D residue 1603 VAL Chi-restraints excluded: chain D residue 1607 ARG Chi-restraints excluded: chain D residue 1610 ASN Chi-restraints excluded: chain D residue 1634 LEU Chi-restraints excluded: chain D residue 1641 ILE Chi-restraints excluded: chain D residue 1642 PRO Chi-restraints excluded: chain D residue 1647 CYS Chi-restraints excluded: chain D residue 1657 LEU Chi-restraints excluded: chain D residue 1666 THR Chi-restraints excluded: chain D residue 1671 ARG Chi-restraints excluded: chain D residue 1673 VAL Chi-restraints excluded: chain D residue 1679 ASN Chi-restraints excluded: chain D residue 1685 LEU Chi-restraints excluded: chain D residue 1687 SER Chi-restraints excluded: chain D residue 1689 VAL Chi-restraints excluded: chain D residue 1698 LEU Chi-restraints excluded: chain D residue 1699 GLU Chi-restraints excluded: chain D residue 1700 ASP Chi-restraints excluded: chain D residue 1704 PRO Chi-restraints excluded: chain D residue 1706 PRO Chi-restraints excluded: chain D residue 1717 SER Chi-restraints excluded: chain D residue 1720 LEU Chi-restraints excluded: chain D residue 1733 GLU Chi-restraints excluded: chain D residue 1736 VAL Chi-restraints excluded: chain D residue 1738 LEU Chi-restraints excluded: chain D residue 1739 THR Chi-restraints excluded: chain D residue 1760 HIS Chi-restraints excluded: chain D residue 1770 SER Chi-restraints excluded: chain D residue 1771 LEU 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 1802 ILE Chi-restraints excluded: chain D residue 1812 LEU Chi-restraints excluded: chain D residue 1815 LEU Chi-restraints excluded: chain D residue 1830 VAL Chi-restraints excluded: chain D residue 1834 VAL Chi-restraints excluded: chain D residue 1849 LEU Chi-restraints excluded: chain D residue 1857 GLU Chi-restraints excluded: chain D residue 1858 ASP Chi-restraints excluded: chain D residue 1869 GLU Chi-restraints excluded: chain D residue 1872 THR Chi-restraints excluded: chain D residue 1873 GLU Chi-restraints excluded: chain D residue 1929 MET Chi-restraints excluded: chain D residue 1930 LYS Chi-restraints excluded: chain D residue 1934 SER Chi-restraints excluded: chain D residue 1955 VAL Chi-restraints excluded: chain D residue 1961 PHE Chi-restraints excluded: chain D residue 1966 VAL Chi-restraints excluded: chain D residue 1969 LEU Chi-restraints excluded: chain D residue 1993 ARG Chi-restraints excluded: chain D residue 1995 THR Chi-restraints excluded: chain D residue 1996 ARG Chi-restraints excluded: chain D residue 2020 ASP Chi-restraints excluded: chain D residue 2027 ILE Chi-restraints excluded: chain D residue 2037 ASP Chi-restraints excluded: chain D residue 2039 LEU Chi-restraints excluded: chain D residue 2093 SER Chi-restraints excluded: chain D residue 2094 LEU Chi-restraints excluded: chain D residue 2095 GLN Chi-restraints excluded: chain D residue 2097 LEU Chi-restraints excluded: chain D residue 2098 VAL Chi-restraints excluded: chain D residue 2110 TYR Chi-restraints excluded: chain D residue 2111 VAL Chi-restraints excluded: chain D residue 2122 SER Chi-restraints excluded: chain D residue 2131 LEU Chi-restraints excluded: chain D residue 2136 ARG 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 2156 LEU Chi-restraints excluded: chain D residue 2161 GLN Chi-restraints excluded: chain D residue 2166 LEU Chi-restraints excluded: chain D residue 2167 ILE Chi-restraints excluded: chain D residue 2169 GLN Chi-restraints excluded: chain D residue 2170 MET Chi-restraints excluded: chain D residue 2173 GLN Chi-restraints excluded: chain D residue 2175 GLU Chi-restraints excluded: chain D residue 2186 MET Chi-restraints excluded: chain D residue 2187 ASN Chi-restraints excluded: chain D residue 2197 LEU Chi-restraints excluded: chain D residue 2199 ARG Chi-restraints excluded: chain D residue 2221 LYS Chi-restraints excluded: chain D residue 2227 LYS Chi-restraints excluded: chain D residue 2228 MET Chi-restraints excluded: chain D residue 2229 VAL Chi-restraints excluded: chain D residue 2230 THR Chi-restraints excluded: chain D residue 2231 SER Chi-restraints excluded: chain D residue 2238 TYR Chi-restraints excluded: chain D residue 2241 ARG Chi-restraints excluded: chain D residue 2244 ARG Chi-restraints excluded: chain D residue 2245 GLN Chi-restraints excluded: chain D residue 2248 ARG Chi-restraints excluded: chain D residue 2270 SER Chi-restraints excluded: chain D residue 2274 ASP Chi-restraints excluded: chain D residue 2275 VAL Chi-restraints excluded: chain D residue 2280 VAL Chi-restraints excluded: chain D residue 2281 ILE Chi-restraints excluded: chain D residue 2290 LEU Chi-restraints excluded: chain D residue 2293 GLN Chi-restraints excluded: chain D residue 2294 ASP Chi-restraints excluded: chain D residue 2295 LEU Chi-restraints excluded: chain D residue 2296 GLU Chi-restraints excluded: chain D residue 2299 VAL Chi-restraints excluded: chain D residue 2300 SER Chi-restraints excluded: chain D residue 2312 MET Chi-restraints excluded: chain D residue 2316 LYS Chi-restraints excluded: chain D residue 2324 ASN Chi-restraints excluded: chain D residue 2330 ARG Chi-restraints excluded: chain D residue 2333 ASP Chi-restraints excluded: chain D residue 2336 ARG Chi-restraints excluded: chain D residue 2341 VAL Chi-restraints excluded: chain D residue 2345 SER Chi-restraints excluded: chain D residue 2346 VAL Chi-restraints excluded: chain D residue 2352 VAL Chi-restraints excluded: chain D residue 2353 VAL Chi-restraints excluded: chain D residue 2368 LEU Chi-restraints excluded: chain D residue 2377 LEU Chi-restraints excluded: chain D residue 2387 SER Chi-restraints excluded: chain D residue 2416 VAL Chi-restraints excluded: chain D residue 2423 MET Chi-restraints excluded: chain D residue 2430 ILE Chi-restraints excluded: chain D residue 2442 LEU Chi-restraints excluded: chain D residue 2454 ARG Chi-restraints excluded: chain D residue 2458 ARG Chi-restraints excluded: chain D residue 2460 LEU Chi-restraints excluded: chain D residue 2461 VAL Chi-restraints excluded: chain D residue 2479 LEU Chi-restraints excluded: chain D residue 3644 LEU Chi-restraints excluded: chain D residue 3652 MET Chi-restraints excluded: chain D residue 3656 SER Chi-restraints excluded: chain D residue 3661 TRP Chi-restraints excluded: chain D residue 3662 ILE Chi-restraints excluded: chain D residue 3663 LEU Chi-restraints excluded: chain D residue 3669 PHE Chi-restraints excluded: chain D residue 3670 GLU Chi-restraints excluded: chain D residue 3678 SER Chi-restraints excluded: chain D residue 3694 LYS Chi-restraints excluded: chain D residue 3696 ASP Chi-restraints excluded: chain D residue 3707 ARG Chi-restraints excluded: chain D residue 3711 THR Chi-restraints excluded: chain D residue 3719 ASP Chi-restraints excluded: chain D residue 3732 SER Chi-restraints excluded: chain D residue 3733 CYS Chi-restraints excluded: chain D residue 3752 SER Chi-restraints excluded: chain D residue 3754 GLU Chi-restraints excluded: chain D residue 3764 LEU Chi-restraints excluded: chain D residue 3772 THR Chi-restraints excluded: chain D residue 3779 VAL Chi-restraints excluded: chain D residue 3787 LYS Chi-restraints excluded: chain D residue 3793 MET Chi-restraints excluded: chain D residue 3795 SER Chi-restraints excluded: chain D residue 3803 SER Chi-restraints excluded: chain D residue 3822 ASP Chi-restraints excluded: chain D residue 3826 VAL Chi-restraints excluded: chain D residue 3837 GLN Chi-restraints excluded: chain D residue 3841 VAL Chi-restraints excluded: chain D residue 3852 LYS Chi-restraints excluded: chain D residue 3867 ASN Chi-restraints excluded: chain D residue 3869 GLN Chi-restraints excluded: chain D residue 3870 ASN Chi-restraints excluded: chain D residue 3873 LYS Chi-restraints excluded: chain D residue 3874 VAL Chi-restraints excluded: chain D residue 3881 THR Chi-restraints excluded: chain D residue 3893 GLU Chi-restraints excluded: chain D residue 3904 ARG Chi-restraints excluded: chain D residue 3905 THR Chi-restraints excluded: chain D residue 3907 THR Chi-restraints excluded: chain D residue 3916 ILE Chi-restraints excluded: chain D residue 3924 LEU Chi-restraints excluded: chain D residue 3929 SER Chi-restraints excluded: chain D residue 3930 ILE Chi-restraints excluded: chain D residue 3933 PHE Chi-restraints excluded: chain D residue 3938 SER Chi-restraints excluded: chain D residue 3942 VAL Chi-restraints excluded: chain D residue 3945 GLU Chi-restraints excluded: chain D residue 3952 SER Chi-restraints excluded: chain D residue 3967 GLU Chi-restraints excluded: chain D residue 3969 ILE Chi-restraints excluded: chain D residue 3970 GLN Chi-restraints excluded: chain D residue 3995 VAL Chi-restraints excluded: chain D residue 4005 GLN Chi-restraints excluded: chain D residue 4007 SER Chi-restraints excluded: chain D residue 4008 SER Chi-restraints excluded: chain D residue 4014 LYS Chi-restraints excluded: chain D residue 4018 ASP 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 4048 LEU Chi-restraints excluded: chain D residue 4049 VAL Chi-restraints excluded: chain D residue 4051 SER Chi-restraints excluded: chain D residue 4052 SER Chi-restraints excluded: chain D residue 4053 SER Chi-restraints excluded: chain D residue 4055 VAL Chi-restraints excluded: chain D residue 4064 MET Chi-restraints excluded: chain D residue 4067 LYS Chi-restraints excluded: chain D residue 4069 LYS Chi-restraints excluded: chain D residue 4072 VAL Chi-restraints excluded: chain D residue 4075 GLU Chi-restraints excluded: chain D residue 4082 THR Chi-restraints excluded: chain D residue 4083 ASP Chi-restraints excluded: chain D residue 4088 ILE Chi-restraints excluded: chain D residue 4098 ASP Chi-restraints excluded: chain D residue 4100 GLN Chi-restraints excluded: chain D residue 4106 PRO Chi-restraints excluded: chain D residue 4107 GLU Chi-restraints excluded: chain D residue 4109 GLN Chi-restraints excluded: chain D residue 4110 PHE Chi-restraints excluded: chain D residue 4111 LEU Chi-restraints excluded: chain D residue 4112 LEU Chi-restraints excluded: chain D residue 4113 SER Chi-restraints excluded: chain D residue 4115 SER Chi-restraints excluded: chain D residue 4123 ILE Chi-restraints excluded: chain D residue 4125 PHE Chi-restraints excluded: chain D residue 4127 GLU Chi-restraints excluded: chain D residue 4135 PRO Chi-restraints excluded: chain D residue 4139 ILE Chi-restraints excluded: chain D residue 4145 VAL Chi-restraints excluded: chain D residue 4154 VAL Chi-restraints excluded: chain D residue 4159 ARG Chi-restraints excluded: chain D residue 4170 ILE Chi-restraints excluded: chain D residue 4172 GLU Chi-restraints excluded: chain D residue 4178 LEU Chi-restraints excluded: chain D residue 4184 MET Chi-restraints excluded: chain D residue 4196 GLU Chi-restraints excluded: chain D residue 4200 THR Chi-restraints excluded: chain D residue 4220 ASP Chi-restraints excluded: chain D residue 4221 VAL Chi-restraints excluded: chain D residue 4232 GLU Chi-restraints excluded: chain D residue 4242 ILE Chi-restraints excluded: chain D residue 4244 GLU Chi-restraints excluded: chain D residue 4251 ILE 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 4565 LEU Chi-restraints excluded: chain D residue 4582 VAL Chi-restraints excluded: chain D residue 4632 LEU Chi-restraints excluded: chain D residue 4634 GLU Chi-restraints excluded: chain D residue 4645 CYS Chi-restraints excluded: chain D residue 4647 SER Chi-restraints excluded: chain D residue 4653 VAL Chi-restraints excluded: chain D residue 4662 ASN Chi-restraints excluded: chain D residue 4667 PRO Chi-restraints excluded: chain D residue 4669 VAL Chi-restraints excluded: chain D residue 4688 ILE Chi-restraints excluded: chain D residue 4689 THR Chi-restraints excluded: chain D residue 4690 GLU Chi-restraints excluded: chain D residue 4694 ASP Chi-restraints excluded: chain D residue 4695 ASP Chi-restraints excluded: chain D residue 4698 LYS Chi-restraints excluded: chain D residue 4704 LEU Chi-restraints excluded: chain D residue 4707 ASN Chi-restraints excluded: chain D residue 4710 SER Chi-restraints excluded: chain D residue 4713 SER Chi-restraints excluded: chain D residue 4718 LYS Chi-restraints excluded: chain D residue 4722 ARG Chi-restraints excluded: chain D residue 4737 ILE Chi-restraints excluded: chain D residue 4741 LEU Chi-restraints excluded: chain D residue 4743 MET Chi-restraints excluded: chain D residue 4745 LEU Chi-restraints excluded: chain D residue 4766 THR Chi-restraints excluded: chain D residue 4788 SER Chi-restraints excluded: chain D residue 4816 ILE Chi-restraints excluded: chain D residue 4818 MET Chi-restraints excluded: chain D residue 4825 THR Chi-restraints excluded: chain D residue 4836 GLN Chi-restraints excluded: chain D residue 4838 VAL Chi-restraints excluded: chain D residue 4850 LEU Chi-restraints excluded: chain D residue 4869 GLU Chi-restraints excluded: chain D residue 4870 ASP Chi-restraints excluded: chain D residue 4874 MET Chi-restraints excluded: chain D residue 4879 MET Chi-restraints excluded: chain D residue 4880 MET Chi-restraints excluded: chain D residue 4881 THR Chi-restraints excluded: chain D residue 4901 ILE Chi-restraints excluded: chain D residue 4918 ILE Chi-restraints excluded: chain D residue 4919 THR Chi-restraints excluded: chain D residue 4948 GLU Chi-restraints excluded: chain D residue 4952 GLU Chi-restraints excluded: chain D residue 4954 MET Chi-restraints excluded: chain D residue 4956 THR Chi-restraints excluded: chain D residue 4957 LYS Chi-restraints excluded: chain D residue 4961 CYS Chi-restraints excluded: chain D residue 4965 SER Chi-restraints excluded: chain D residue 4966 ASP Chi-restraints excluded: chain D residue 4980 LEU Chi-restraints excluded: chain D residue 4992 LEU Chi-restraints excluded: chain D residue 5002 GLU Chi-restraints excluded: chain D residue 5008 SER Chi-restraints excluded: chain D residue 5023 PRO Rotamers are restrained with sigma=1.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 0 random chunks: chunk None optimal weight: 4.9990 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 379 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A 413 GLN ** A 624 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2260 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2268 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2444 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4094 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4806 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A5003 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 379 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B 413 GLN B 473 ASN ** B 624 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B1231 GLN ** B2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2193 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2260 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2268 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2444 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4094 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4806 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 379 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C 413 GLN ** C 624 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C1231 GLN ** C1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2193 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2260 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C2284 ASN ** C2444 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4094 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4806 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C5003 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 297 GLN ** 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 413 GLN ** D 624 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2193 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2260 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2293 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2444 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3869 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3946 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4094 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4806 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D5003 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 8 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7821 moved from start: 0.8906 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.060 0.669 113365 Z= 3.864 Angle : 2.905 42.525 154462 Z= 1.534 Chirality : 0.185 1.328 18087 Planarity : 0.021 0.437 20349 Dihedral : 14.398 177.604 17057 Min Nonbonded Distance : 0.531 Molprobity Statistics. All-atom Clashscore : 52.51 Ramachandran Plot: Outliers : 2.73 % Allowed : 26.33 % Favored : 70.94 % Rotamer: Outliers : 23.61 % Allowed : 24.88 % Favored : 51.51 % Cbeta Deviations : 1.02 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 6.38 % Twisted General : 2.88 % 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: -6.86 (0.05), residues: 12368 helix: -4.29 (0.04), residues: 5676 sheet: -3.59 (0.12), residues: 1304 loop : -5.08 (0.06), residues: 5388 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.066 0.012 TRP D4794 HIS 0.041 0.007 HIS C4650 PHE 0.088 0.013 PHE C1288 TYR 0.088 0.012 TYR A 359 ARG 0.032 0.003 ARG C4892 *********************** REFINEMENT MACRO_CYCLE 9 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 24736 Ramachandran restraints generated. 12368 Oldfield, 0 Emsley, 12368 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 24736 Ramachandran restraints generated. 12368 Oldfield, 0 Emsley, 12368 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3121 residues out of total 10876 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2295 poor density : 826 time to evaluate : 8.704 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: A 32 GLN cc_start: 0.6970 (OUTLIER) cc_final: 0.6147 (mt0) REVERT: A 65 CYS cc_start: 0.8407 (m) cc_final: 0.7912 (t) REVERT: A 169 LEU cc_start: 0.7036 (OUTLIER) cc_final: 0.6685 (mt) REVERT: A 189 LEU cc_start: 0.8279 (OUTLIER) cc_final: 0.7924 (mt) REVERT: A 197 GLN cc_start: 0.8471 (OUTLIER) cc_final: 0.8191 (tt0) REVERT: A 218 HIS cc_start: 0.7359 (OUTLIER) cc_final: 0.6970 (m90) REVERT: A 276 TRP cc_start: 0.5936 (OUTLIER) cc_final: 0.5659 (m-10) REVERT: A 317 ARG cc_start: 0.7484 (OUTLIER) cc_final: 0.6371 (mmp80) REVERT: A 334 MET cc_start: 0.6935 (OUTLIER) cc_final: 0.6282 (mmp) REVERT: A 346 CYS cc_start: 0.6202 (OUTLIER) cc_final: 0.5311 (p) REVERT: A 392 ARG cc_start: 0.5791 (OUTLIER) cc_final: 0.5277 (ptt-90) REVERT: A 477 LEU cc_start: 0.8293 (OUTLIER) cc_final: 0.8007 (mt) REVERT: A 481 GLU cc_start: 0.7959 (OUTLIER) cc_final: 0.7290 (mp0) REVERT: A 503 PHE cc_start: 0.8120 (t80) cc_final: 0.7830 (t80) REVERT: A 510 GLU cc_start: 0.6737 (OUTLIER) cc_final: 0.6293 (mm-30) REVERT: A 513 GLU cc_start: 0.8189 (mp0) cc_final: 0.7893 (mp0) REVERT: A 521 LEU cc_start: 0.8805 (OUTLIER) cc_final: 0.8054 (mp) REVERT: A 575 LEU cc_start: 0.9008 (OUTLIER) cc_final: 0.8781 (mp) REVERT: A 625 LEU cc_start: 0.6170 (OUTLIER) cc_final: 0.5379 (tp) REVERT: A 629 ARG cc_start: 0.8535 (OUTLIER) cc_final: 0.6516 (mmt90) REVERT: A 663 TYR cc_start: 0.4065 (OUTLIER) cc_final: 0.1351 (t80) REVERT: A 667 MET cc_start: 0.6793 (OUTLIER) cc_final: 0.6134 (tmm) REVERT: A 710 ASP cc_start: 0.8261 (OUTLIER) cc_final: 0.7977 (p0) REVERT: A 800 PHE cc_start: 0.6713 (OUTLIER) cc_final: 0.5615 (m-10) REVERT: A 801 LYS cc_start: 0.7856 (OUTLIER) cc_final: 0.6346 (mmtt) REVERT: A 802 PHE cc_start: 0.6813 (OUTLIER) cc_final: 0.5508 (t80) REVERT: A 822 ARG cc_start: 0.6637 (OUTLIER) cc_final: 0.5379 (ptt-90) REVERT: A 831 ARG cc_start: 0.7780 (OUTLIER) cc_final: 0.7348 (ptp-110) REVERT: A 933 LEU cc_start: 0.4034 (OUTLIER) cc_final: 0.3759 (pp) REVERT: A 961 MET cc_start: 0.5092 (OUTLIER) cc_final: 0.4026 (ptt) REVERT: A 1029 GLU cc_start: 0.4327 (OUTLIER) cc_final: 0.3908 (mp0) REVERT: A 1127 HIS cc_start: 0.6537 (OUTLIER) cc_final: 0.5821 (t70) REVERT: A 1128 ARG cc_start: 0.8267 (OUTLIER) cc_final: 0.7846 (tpp-160) REVERT: A 1137 GLU cc_start: 0.8078 (OUTLIER) cc_final: 0.7548 (mm-30) REVERT: A 1259 ARG cc_start: 0.8549 (OUTLIER) cc_final: 0.7726 (mtt90) REVERT: A 1271 ARG cc_start: 0.7681 (OUTLIER) cc_final: 0.7110 (ttp-110) REVERT: A 1580 PHE cc_start: 0.8491 (OUTLIER) cc_final: 0.6349 (t80) REVERT: A 1600 LEU cc_start: 0.8905 (OUTLIER) cc_final: 0.7920 (tp) REVERT: A 1654 SER cc_start: 0.8474 (OUTLIER) cc_final: 0.8089 (t) REVERT: A 1657 LEU cc_start: 0.9308 (OUTLIER) cc_final: 0.9024 (mp) REVERT: A 1671 ARG cc_start: 0.8650 (OUTLIER) cc_final: 0.8055 (mtm-85) REVERT: A 1700 ASP cc_start: 0.8576 (OUTLIER) cc_final: 0.8190 (m-30) REVERT: A 1720 LEU cc_start: 0.9051 (OUTLIER) cc_final: 0.8333 (mp) REVERT: A 1733 GLU cc_start: 0.8251 (OUTLIER) cc_final: 0.7157 (mt-10) REVERT: A 1772 ARG cc_start: 0.8785 (OUTLIER) cc_final: 0.8465 (mtt-85) REVERT: A 1815 LEU cc_start: 0.9057 (OUTLIER) cc_final: 0.8321 (mp) REVERT: A 1930 LYS cc_start: 0.8680 (OUTLIER) cc_final: 0.8115 (ttpp) REVERT: A 2039 LEU cc_start: 0.8652 (OUTLIER) cc_final: 0.8234 (mp) REVERT: A 2092 GLN cc_start: 0.7606 (mm-40) cc_final: 0.7353 (mm-40) REVERT: A 2161 GLN cc_start: 0.8696 (OUTLIER) cc_final: 0.7808 (tm-30) REVERT: A 2169 GLN cc_start: 0.8772 (OUTLIER) cc_final: 0.8025 (tt0) REVERT: A 2170 MET cc_start: 0.7718 (OUTLIER) cc_final: 0.6819 (tmm) REVERT: A 2197 LEU cc_start: 0.8486 (OUTLIER) cc_final: 0.8155 (mp) REVERT: A 2199 ARG cc_start: 0.8477 (OUTLIER) cc_final: 0.7256 (mtm-85) REVERT: A 2221 LYS cc_start: 0.6504 (OUTLIER) cc_final: 0.6020 (tttt) REVERT: A 2225 PHE cc_start: 0.7857 (OUTLIER) cc_final: 0.7633 (m-80) REVERT: A 2227 LYS cc_start: 0.8661 (OUTLIER) cc_final: 0.8314 (ttmm) REVERT: A 2244 ARG cc_start: 0.8068 (OUTLIER) cc_final: 0.7339 (mtp85) REVERT: A 2259 GLU cc_start: 0.8476 (OUTLIER) cc_final: 0.7749 (pm20) REVERT: A 2284 ASN cc_start: 0.7841 (OUTLIER) cc_final: 0.7166 (t0) REVERT: A 2295 LEU cc_start: 0.7935 (OUTLIER) cc_final: 0.7590 (mm) REVERT: A 2296 GLU cc_start: 0.8806 (OUTLIER) cc_final: 0.8332 (tp30) REVERT: A 2330 ARG cc_start: 0.8413 (OUTLIER) cc_final: 0.7504 (mpt-90) REVERT: A 2416 VAL cc_start: 0.8117 (OUTLIER) cc_final: 0.7884 (t) REVERT: A 2458 ARG cc_start: 0.7372 (OUTLIER) cc_final: 0.6922 (tpm170) REVERT: A 3669 PHE cc_start: 0.8615 (OUTLIER) cc_final: 0.8119 (p90) REVERT: A 3670 GLU cc_start: 0.8510 (OUTLIER) cc_final: 0.8065 (mp0) REVERT: A 3694 LYS cc_start: 0.8466 (OUTLIER) cc_final: 0.7579 (ptmm) REVERT: A 3707 ARG cc_start: 0.8453 (OUTLIER) cc_final: 0.7653 (ptt90) REVERT: A 3756 LYS cc_start: 0.7048 (OUTLIER) cc_final: 0.6833 (pttt) REVERT: A 3758 MET cc_start: 0.7632 (tpp) cc_final: 0.7205 (tpp) REVERT: A 3787 LYS cc_start: 0.9186 (OUTLIER) cc_final: 0.8609 (mttp) REVERT: A 3837 GLN cc_start: 0.9016 (OUTLIER) cc_final: 0.8562 (mt0) REVERT: A 3904 ARG cc_start: 0.9186 (OUTLIER) cc_final: 0.8735 (ttp-110) REVERT: A 3916 ILE cc_start: 0.8825 (OUTLIER) cc_final: 0.8594 (mt) REVERT: A 3924 LEU cc_start: 0.8967 (OUTLIER) cc_final: 0.8596 (tt) REVERT: A 3970 GLN cc_start: 0.8243 (OUTLIER) cc_final: 0.7870 (tt0) REVERT: A 4005 GLN cc_start: 0.7030 (OUTLIER) cc_final: 0.6237 (mt0) REVERT: A 4015 GLU cc_start: 0.7876 (OUTLIER) cc_final: 0.7520 (mm-30) REVERT: A 4026 MET cc_start: 0.8893 (OUTLIER) cc_final: 0.8505 (tmm) REVERT: A 4075 GLU cc_start: 0.4973 (OUTLIER) cc_final: 0.4201 (pt0) REVERT: A 4100 GLN cc_start: 0.5323 (OUTLIER) cc_final: 0.4594 (mm110) REVERT: A 4102 GLN cc_start: 0.4603 (OUTLIER) cc_final: 0.4091 (pt0) REVERT: A 4110 PHE cc_start: 0.3347 (OUTLIER) cc_final: 0.2652 (m-80) REVERT: A 4125 PHE cc_start: 0.2213 (OUTLIER) cc_final: 0.1218 (p90) REVERT: A 4135 PRO cc_start: 0.7601 (OUTLIER) cc_final: 0.7328 (Cg_endo) REVERT: A 4159 ARG cc_start: 0.8822 (OUTLIER) cc_final: 0.8126 (mtm-85) REVERT: A 4172 GLU cc_start: 0.8281 (OUTLIER) cc_final: 0.7565 (mp0) REVERT: A 4196 GLU cc_start: 0.8830 (OUTLIER) cc_final: 0.8619 (tt0) REVERT: A 4232 GLU cc_start: 0.9021 (OUTLIER) cc_final: 0.8158 (tt0) REVERT: A 4244 GLU cc_start: 0.8918 (OUTLIER) cc_final: 0.8075 (mm-30) REVERT: A 4632 LEU cc_start: 0.8794 (OUTLIER) cc_final: 0.8451 (tt) REVERT: A 4704 LEU cc_start: 0.9454 (OUTLIER) cc_final: 0.9054 (mp) REVERT: A 4718 LYS cc_start: 0.8908 (OUTLIER) cc_final: 0.8605 (mmtm) REVERT: A 4741 LEU cc_start: 0.9239 (OUTLIER) cc_final: 0.8728 (mp) REVERT: A 4796 MET cc_start: 0.8915 (OUTLIER) cc_final: 0.8045 (tpt) REVERT: A 4836 GLN cc_start: 0.9155 (OUTLIER) cc_final: 0.8348 (mt0) REVERT: A 4839 MET cc_start: 0.9229 (mmm) cc_final: 0.8977 (mtp) REVERT: A 4948 GLU cc_start: 0.8801 (OUTLIER) cc_final: 0.8174 (mp0) REVERT: B 32 GLN cc_start: 0.6695 (OUTLIER) cc_final: 0.6403 (tp40) REVERT: B 65 CYS cc_start: 0.8371 (m) cc_final: 0.7903 (t) REVERT: B 129 ASP cc_start: 0.5003 (OUTLIER) cc_final: 0.4648 (m-30) REVERT: B 169 LEU cc_start: 0.7087 (OUTLIER) cc_final: 0.6732 (mt) REVERT: B 189 LEU cc_start: 0.8258 (OUTLIER) cc_final: 0.8014 (mt) REVERT: B 197 GLN cc_start: 0.8445 (OUTLIER) cc_final: 0.8141 (tt0) REVERT: B 218 HIS cc_start: 0.7449 (OUTLIER) cc_final: 0.7059 (m90) REVERT: B 317 ARG cc_start: 0.7528 (OUTLIER) cc_final: 0.6370 (mmp80) REVERT: B 334 MET cc_start: 0.6961 (OUTLIER) cc_final: 0.5996 (mmp) REVERT: B 346 CYS cc_start: 0.6220 (OUTLIER) cc_final: 0.5642 (p) REVERT: B 392 ARG cc_start: 0.5983 (OUTLIER) cc_final: 0.5578 (ptt-90) REVERT: B 396 GLU cc_start: 0.7161 (OUTLIER) cc_final: 0.6844 (pp20) REVERT: B 521 LEU cc_start: 0.8803 (OUTLIER) cc_final: 0.8042 (mp) REVERT: B 575 LEU cc_start: 0.9006 (OUTLIER) cc_final: 0.8774 (mp) REVERT: B 625 LEU cc_start: 0.6203 (OUTLIER) cc_final: 0.5404 (tp) REVERT: B 629 ARG cc_start: 0.8537 (OUTLIER) cc_final: 0.6577 (mmt90) REVERT: B 663 TYR cc_start: 0.4128 (OUTLIER) cc_final: 0.1338 (t80) REVERT: B 710 ASP cc_start: 0.8254 (OUTLIER) cc_final: 0.8015 (p0) REVERT: B 714 TYR cc_start: 0.6825 (OUTLIER) cc_final: 0.6133 (m-80) REVERT: B 768 PHE cc_start: 0.6700 (OUTLIER) cc_final: 0.5605 (m-80) REVERT: B 788 LYS cc_start: 0.5852 (OUTLIER) cc_final: 0.5459 (mtmt) REVERT: B 800 PHE cc_start: 0.6655 (OUTLIER) cc_final: 0.5568 (m-10) REVERT: B 801 LYS cc_start: 0.7884 (OUTLIER) cc_final: 0.6529 (mmtt) REVERT: B 802 PHE cc_start: 0.6614 (OUTLIER) cc_final: 0.5757 (m-80) REVERT: B 822 ARG cc_start: 0.6653 (OUTLIER) cc_final: 0.5366 (ptt-90) REVERT: B 831 ARG cc_start: 0.7816 (OUTLIER) cc_final: 0.7362 (ptp-110) REVERT: B 933 LEU cc_start: 0.4070 (OUTLIER) cc_final: 0.3779 (pp) REVERT: B 1122 TYR cc_start: 0.7955 (m-80) cc_final: 0.7679 (m-10) REVERT: B 1127 HIS cc_start: 0.6726 (OUTLIER) cc_final: 0.6023 (t70) REVERT: B 1131 ARG cc_start: 0.7466 (OUTLIER) cc_final: 0.7225 (ptt180) REVERT: B 1137 GLU cc_start: 0.7917 (OUTLIER) cc_final: 0.7362 (mm-30) REVERT: B 1198 GLN cc_start: 0.7611 (OUTLIER) cc_final: 0.7294 (mp10) REVERT: B 1219 LEU cc_start: 0.7855 (OUTLIER) cc_final: 0.7213 (mm) REVERT: B 1259 ARG cc_start: 0.8559 (OUTLIER) cc_final: 0.7583 (mtt90) REVERT: B 1271 ARG cc_start: 0.7696 (OUTLIER) cc_final: 0.7098 (ttp-110) REVERT: B 1457 TYR cc_start: 0.7874 (OUTLIER) cc_final: 0.7534 (m-80) REVERT: B 1580 PHE cc_start: 0.8622 (OUTLIER) cc_final: 0.6658 (t80) REVERT: B 1583 GLU cc_start: 0.5872 (OUTLIER) cc_final: 0.4255 (mm-30) REVERT: B 1600 LEU cc_start: 0.8897 (OUTLIER) cc_final: 0.7894 (tp) REVERT: B 1657 LEU cc_start: 0.9305 (OUTLIER) cc_final: 0.9023 (mp) REVERT: B 1668 ARG cc_start: 0.9075 (OUTLIER) cc_final: 0.8383 (ttm-80) REVERT: B 1671 ARG cc_start: 0.8645 (OUTLIER) cc_final: 0.8052 (mtm-85) REVERT: B 1700 ASP cc_start: 0.8598 (OUTLIER) cc_final: 0.8201 (m-30) REVERT: B 1720 LEU cc_start: 0.9054 (OUTLIER) cc_final: 0.8339 (mp) REVERT: B 1733 GLU cc_start: 0.8264 (OUTLIER) cc_final: 0.7157 (mt-10) REVERT: B 1772 ARG cc_start: 0.8792 (OUTLIER) cc_final: 0.8435 (mtt-85) REVERT: B 1782 PHE cc_start: 0.7506 (OUTLIER) cc_final: 0.7037 (p90) REVERT: B 1815 LEU cc_start: 0.9052 (OUTLIER) cc_final: 0.8314 (mp) REVERT: B 1873 GLU cc_start: 0.6424 (OUTLIER) cc_final: 0.6132 (tm-30) REVERT: B 1996 ARG cc_start: 0.6857 (OUTLIER) cc_final: 0.6035 (ptm160) REVERT: B 2039 LEU cc_start: 0.8673 (OUTLIER) cc_final: 0.8270 (mp) REVERT: B 2092 GLN cc_start: 0.7545 (mm-40) cc_final: 0.7279 (mm110) REVERT: B 2161 GLN cc_start: 0.8694 (OUTLIER) cc_final: 0.7802 (tm-30) REVERT: B 2169 GLN cc_start: 0.8766 (OUTLIER) cc_final: 0.8024 (tt0) REVERT: B 2170 MET cc_start: 0.7708 (OUTLIER) cc_final: 0.6804 (tmm) REVERT: B 2197 LEU cc_start: 0.8490 (OUTLIER) cc_final: 0.8160 (mp) REVERT: B 2199 ARG cc_start: 0.8486 (OUTLIER) cc_final: 0.7248 (mtm-85) REVERT: B 2221 LYS cc_start: 0.6506 (OUTLIER) cc_final: 0.6023 (tttt) REVERT: B 2225 PHE cc_start: 0.7852 (OUTLIER) cc_final: 0.7635 (m-80) REVERT: B 2227 LYS cc_start: 0.8636 (OUTLIER) cc_final: 0.8303 (ttmm) REVERT: B 2244 ARG cc_start: 0.8099 (OUTLIER) cc_final: 0.7315 (mtp85) REVERT: B 2248 ARG cc_start: 0.7684 (OUTLIER) cc_final: 0.7080 (ttm-80) REVERT: B 2295 LEU cc_start: 0.7977 (OUTLIER) cc_final: 0.7583 (mm) REVERT: B 2296 GLU cc_start: 0.8705 (OUTLIER) cc_final: 0.8187 (tp30) REVERT: B 2330 ARG cc_start: 0.8408 (OUTLIER) cc_final: 0.7542 (mpt-90) REVERT: B 2377 LEU cc_start: 0.5223 (OUTLIER) cc_final: 0.4999 (mm) REVERT: B 2416 VAL cc_start: 0.8103 (OUTLIER) cc_final: 0.7874 (t) REVERT: B 2458 ARG cc_start: 0.7313 (OUTLIER) cc_final: 0.6944 (tpm170) REVERT: B 3648 ARG cc_start: 0.8557 (OUTLIER) cc_final: 0.7449 (mtm-85) REVERT: B 3670 GLU cc_start: 0.8564 (OUTLIER) cc_final: 0.8056 (mp0) REVERT: B 3694 LYS cc_start: 0.8470 (OUTLIER) cc_final: 0.7672 (ptmm) REVERT: B 3707 ARG cc_start: 0.8435 (OUTLIER) cc_final: 0.8189 (ttt90) REVERT: B 3758 MET cc_start: 0.7603 (tpp) cc_final: 0.7168 (tpp) REVERT: B 3837 GLN cc_start: 0.9005 (OUTLIER) cc_final: 0.8550 (mt0) REVERT: B 3850 GLN cc_start: 0.8701 (OUTLIER) cc_final: 0.8157 (tp-100) REVERT: B 3872 GLU cc_start: 0.7945 (OUTLIER) cc_final: 0.7449 (pm20) REVERT: B 3904 ARG cc_start: 0.9195 (OUTLIER) cc_final: 0.8722 (ttp-110) REVERT: B 3916 ILE cc_start: 0.8817 (OUTLIER) cc_final: 0.8591 (mt) REVERT: B 3924 LEU cc_start: 0.8963 (OUTLIER) cc_final: 0.8595 (tt) REVERT: B 3970 GLN cc_start: 0.8223 (OUTLIER) cc_final: 0.7845 (tt0) REVERT: B 4005 GLN cc_start: 0.7020 (OUTLIER) cc_final: 0.6218 (mt0) REVERT: B 4014 LYS cc_start: 0.6197 (OUTLIER) cc_final: 0.5742 (ptmt) REVERT: B 4087 LEU cc_start: 0.6021 (OUTLIER) cc_final: 0.5713 (tt) REVERT: B 4100 GLN cc_start: 0.5308 (OUTLIER) cc_final: 0.4441 (mm-40) REVERT: B 4110 PHE cc_start: 0.3572 (OUTLIER) cc_final: 0.2860 (m-80) REVERT: B 4125 PHE cc_start: 0.1886 (OUTLIER) cc_final: 0.0492 (p90) REVERT: B 4135 PRO cc_start: 0.7592 (OUTLIER) cc_final: 0.7325 (Cg_endo) REVERT: B 4159 ARG cc_start: 0.8821 (OUTLIER) cc_final: 0.8088 (mtm-85) REVERT: B 4172 GLU cc_start: 0.8268 (OUTLIER) cc_final: 0.7503 (mp0) REVERT: B 4232 GLU cc_start: 0.9026 (OUTLIER) cc_final: 0.8168 (tt0) REVERT: B 4244 GLU cc_start: 0.8919 (OUTLIER) cc_final: 0.8085 (mm-30) REVERT: B 4568 PHE cc_start: 0.8806 (OUTLIER) cc_final: 0.7996 (t80) REVERT: B 4632 LEU cc_start: 0.8812 (OUTLIER) cc_final: 0.8472 (tt) REVERT: B 4700 GLN cc_start: 0.9197 (OUTLIER) cc_final: 0.8945 (mm-40) REVERT: B 4704 LEU cc_start: 0.9453 (OUTLIER) cc_final: 0.9061 (mp) REVERT: B 4718 LYS cc_start: 0.8893 (OUTLIER) cc_final: 0.8591 (mmtm) REVERT: B 4741 LEU cc_start: 0.9229 (OUTLIER) cc_final: 0.8718 (mp) REVERT: B 4796 MET cc_start: 0.8914 (OUTLIER) cc_final: 0.8035 (tpt) REVERT: B 4836 GLN cc_start: 0.9157 (OUTLIER) cc_final: 0.8351 (mt0) REVERT: B 4839 MET cc_start: 0.9234 (mmm) cc_final: 0.8953 (mtp) REVERT: B 4869 GLU cc_start: 0.9160 (OUTLIER) cc_final: 0.8412 (tm-30) REVERT: B 4948 GLU cc_start: 0.8819 (OUTLIER) cc_final: 0.8154 (mp0) REVERT: C 23 GLN cc_start: 0.7215 (OUTLIER) cc_final: 0.7006 (pt0) REVERT: C 32 GLN cc_start: 0.6707 (OUTLIER) cc_final: 0.6468 (tp40) REVERT: C 65 CYS cc_start: 0.8411 (m) cc_final: 0.7925 (t) REVERT: C 115 ARG cc_start: 0.8395 (OUTLIER) cc_final: 0.7526 (mmm-85) REVERT: C 129 ASP cc_start: 0.5034 (OUTLIER) cc_final: 0.4667 (m-30) REVERT: C 169 LEU cc_start: 0.7101 (OUTLIER) cc_final: 0.6729 (mt) REVERT: C 197 GLN cc_start: 0.8417 (OUTLIER) cc_final: 0.7943 (tt0) REVERT: C 218 HIS cc_start: 0.7314 (OUTLIER) cc_final: 0.6955 (m90) REVERT: C 246 TYR cc_start: 0.6916 (m-80) cc_final: 0.6509 (m-80) REVERT: C 317 ARG cc_start: 0.7477 (OUTLIER) cc_final: 0.6267 (mmp80) REVERT: C 334 MET cc_start: 0.6929 (OUTLIER) cc_final: 0.6327 (mmp) REVERT: C 346 CYS cc_start: 0.6275 (OUTLIER) cc_final: 0.5527 (p) REVERT: C 392 ARG cc_start: 0.5926 (OUTLIER) cc_final: 0.5528 (ptt-90) REVERT: C 396 GLU cc_start: 0.7183 (OUTLIER) cc_final: 0.6863 (pp20) REVERT: C 481 GLU cc_start: 0.7944 (OUTLIER) cc_final: 0.7281 (mp0) REVERT: C 484 LEU cc_start: 0.8662 (OUTLIER) cc_final: 0.8430 (tt) REVERT: C 521 LEU cc_start: 0.8802 (OUTLIER) cc_final: 0.8043 (mp) REVERT: C 575 LEU cc_start: 0.9013 (OUTLIER) cc_final: 0.8779 (mp) REVERT: C 590 LEU cc_start: 0.9036 (OUTLIER) cc_final: 0.8804 (mt) REVERT: C 625 LEU cc_start: 0.6163 (OUTLIER) cc_final: 0.5436 (tp) REVERT: C 629 ARG cc_start: 0.8553 (OUTLIER) cc_final: 0.6495 (mmt90) REVERT: C 663 TYR cc_start: 0.3988 (OUTLIER) cc_final: 0.1155 (t80) REVERT: C 710 ASP cc_start: 0.8224 (OUTLIER) cc_final: 0.7911 (p0) REVERT: C 788 LYS cc_start: 0.5841 (OUTLIER) cc_final: 0.5465 (mtmt) REVERT: C 800 PHE cc_start: 0.6849 (OUTLIER) cc_final: 0.5738 (m-80) REVERT: C 801 LYS cc_start: 0.7851 (OUTLIER) cc_final: 0.6612 (mmtt) REVERT: C 802 PHE cc_start: 0.6589 (OUTLIER) cc_final: 0.5726 (m-80) REVERT: C 822 ARG cc_start: 0.6436 (OUTLIER) cc_final: 0.5207 (ptt-90) REVERT: C 831 ARG cc_start: 0.7803 (OUTLIER) cc_final: 0.7378 (ptp-110) REVERT: C 933 LEU cc_start: 0.4319 (OUTLIER) cc_final: 0.4090 (pp) REVERT: C 961 MET cc_start: 0.5034 (OUTLIER) cc_final: 0.4060 (ptm) REVERT: C 1106 ARG cc_start: 0.8262 (OUTLIER) cc_final: 0.7854 (mmt-90) REVERT: C 1127 HIS cc_start: 0.6805 (OUTLIER) cc_final: 0.5996 (t70) REVERT: C 1131 ARG cc_start: 0.7455 (OUTLIER) cc_final: 0.7219 (ptt180) REVERT: C 1137 GLU cc_start: 0.7917 (OUTLIER) cc_final: 0.7394 (mm-30) REVERT: C 1198 GLN cc_start: 0.7603 (OUTLIER) cc_final: 0.7308 (mp10) REVERT: C 1219 LEU cc_start: 0.7757 (OUTLIER) cc_final: 0.7144 (mm) REVERT: C 1259 ARG cc_start: 0.8536 (OUTLIER) cc_final: 0.7724 (mtt90) REVERT: C 1271 ARG cc_start: 0.7653 (OUTLIER) cc_final: 0.7034 (ttp-110) REVERT: C 1600 LEU cc_start: 0.8889 (OUTLIER) cc_final: 0.7872 (tp) REVERT: C 1657 LEU cc_start: 0.9303 (OUTLIER) cc_final: 0.9024 (mp) REVERT: C 1668 ARG cc_start: 0.9074 (OUTLIER) cc_final: 0.8380 (ttm-80) REVERT: C 1671 ARG cc_start: 0.8648 (OUTLIER) cc_final: 0.8053 (mtm-85) REVERT: C 1700 ASP cc_start: 0.8594 (OUTLIER) cc_final: 0.8206 (m-30) REVERT: C 1720 LEU cc_start: 0.9060 (OUTLIER) cc_final: 0.8346 (mp) REVERT: C 1733 GLU cc_start: 0.8246 (OUTLIER) cc_final: 0.7141 (mt-10) REVERT: C 1772 ARG cc_start: 0.8795 (OUTLIER) cc_final: 0.8472 (mtt-85) REVERT: C 1782 PHE cc_start: 0.7271 (OUTLIER) cc_final: 0.6839 (p90) REVERT: C 1815 LEU cc_start: 0.9055 (OUTLIER) cc_final: 0.8318 (mp) REVERT: C 1930 LYS cc_start: 0.8672 (OUTLIER) cc_final: 0.8159 (ttpp) REVERT: C 2039 LEU cc_start: 0.8661 (OUTLIER) cc_final: 0.8274 (mp) REVERT: C 2092 GLN cc_start: 0.7607 (mm-40) cc_final: 0.7364 (mm-40) REVERT: C 2161 GLN cc_start: 0.8696 (OUTLIER) cc_final: 0.7806 (tm-30) REVERT: C 2169 GLN cc_start: 0.8773 (OUTLIER) cc_final: 0.8033 (tt0) REVERT: C 2170 MET cc_start: 0.7715 (OUTLIER) cc_final: 0.6807 (tmm) REVERT: C 2197 LEU cc_start: 0.8507 (OUTLIER) cc_final: 0.8183 (mp) REVERT: C 2199 ARG cc_start: 0.8481 (OUTLIER) cc_final: 0.7337 (mtm-85) REVERT: C 2221 LYS cc_start: 0.6525 (OUTLIER) cc_final: 0.6038 (tttt) REVERT: C 2225 PHE cc_start: 0.7842 (OUTLIER) cc_final: 0.7612 (m-80) REVERT: C 2227 LYS cc_start: 0.8640 (OUTLIER) cc_final: 0.8308 (ttmm) REVERT: C 2244 ARG cc_start: 0.8091 (OUTLIER) cc_final: 0.7210 (mtp85) REVERT: C 2245 GLN cc_start: 0.8388 (OUTLIER) cc_final: 0.8030 (mp10) REVERT: C 2248 ARG cc_start: 0.7551 (OUTLIER) cc_final: 0.7014 (ttm-80) REVERT: C 2295 LEU cc_start: 0.7921 (OUTLIER) cc_final: 0.7578 (mm) REVERT: C 2296 GLU cc_start: 0.8809 (OUTLIER) cc_final: 0.8338 (tp30) REVERT: C 2330 ARG cc_start: 0.8392 (OUTLIER) cc_final: 0.7543 (mpt-90) REVERT: C 2377 LEU cc_start: 0.5277 (OUTLIER) cc_final: 0.5054 (mm) REVERT: C 2416 VAL cc_start: 0.8097 (OUTLIER) cc_final: 0.7870 (t) REVERT: C 3670 GLU cc_start: 0.8541 (OUTLIER) cc_final: 0.8032 (mp0) REVERT: C 3694 LYS cc_start: 0.8459 (OUTLIER) cc_final: 0.7794 (ptmm) REVERT: C 3707 ARG cc_start: 0.8447 (OUTLIER) cc_final: 0.7652 (ptt90) REVERT: C 3758 MET cc_start: 0.7629 (tpp) cc_final: 0.7196 (tpp) REVERT: C 3837 GLN cc_start: 0.9010 (OUTLIER) cc_final: 0.8555 (mt0) REVERT: C 3850 GLN cc_start: 0.8689 (OUTLIER) cc_final: 0.8176 (tp-100) REVERT: C 3873 LYS cc_start: 0.8220 (OUTLIER) cc_final: 0.7519 (tppt) REVERT: C 3904 ARG cc_start: 0.9187 (OUTLIER) cc_final: 0.8731 (ttp-110) REVERT: C 3916 ILE cc_start: 0.8819 (OUTLIER) cc_final: 0.8596 (mt) REVERT: C 3924 LEU cc_start: 0.8955 (OUTLIER) cc_final: 0.8590 (tt) REVERT: C 3970 GLN cc_start: 0.8235 (OUTLIER) cc_final: 0.7858 (tt0) REVERT: C 4005 GLN cc_start: 0.7028 (OUTLIER) cc_final: 0.6271 (mt0) REVERT: C 4014 LYS cc_start: 0.6110 (OUTLIER) cc_final: 0.5684 (ptmt) REVERT: C 4100 GLN cc_start: 0.5346 (OUTLIER) cc_final: 0.4487 (mm-40) REVERT: C 4110 PHE cc_start: 0.3617 (OUTLIER) cc_final: 0.2893 (m-80) REVERT: C 4125 PHE cc_start: 0.1887 (OUTLIER) cc_final: 0.0480 (p90) REVERT: C 4135 PRO cc_start: 0.7562 (OUTLIER) cc_final: 0.7294 (Cg_endo) REVERT: C 4159 ARG cc_start: 0.8822 (OUTLIER) cc_final: 0.8093 (mtm-85) REVERT: C 4172 GLU cc_start: 0.8284 (OUTLIER) cc_final: 0.7505 (mp0) REVERT: C 4202 ARG cc_start: 0.8406 (OUTLIER) cc_final: 0.6795 (tpp80) REVERT: C 4232 GLU cc_start: 0.9035 (OUTLIER) cc_final: 0.8173 (tt0) REVERT: C 4244 GLU cc_start: 0.8919 (OUTLIER) cc_final: 0.8081 (mm-30) REVERT: C 4632 LEU cc_start: 0.8799 (OUTLIER) cc_final: 0.8458 (tt) REVERT: C 4704 LEU cc_start: 0.9455 (OUTLIER) cc_final: 0.9073 (mp) REVERT: C 4718 LYS cc_start: 0.8898 (OUTLIER) cc_final: 0.8591 (mmtm) REVERT: C 4741 LEU cc_start: 0.9237 (OUTLIER) cc_final: 0.8765 (mp) REVERT: C 4836 GLN cc_start: 0.9158 (OUTLIER) cc_final: 0.8364 (mt0) REVERT: C 4839 MET cc_start: 0.9216 (mmm) cc_final: 0.8950 (mtp) REVERT: C 4869 GLU cc_start: 0.9178 (OUTLIER) cc_final: 0.8422 (tm-30) REVERT: C 4948 GLU cc_start: 0.8805 (OUTLIER) cc_final: 0.8109 (mp0) REVERT: D 65 CYS cc_start: 0.8374 (m) cc_final: 0.7904 (t) REVERT: D 169 LEU cc_start: 0.7068 (OUTLIER) cc_final: 0.6709 (mt) REVERT: D 189 LEU cc_start: 0.8322 (OUTLIER) cc_final: 0.8010 (mt) REVERT: D 197 GLN cc_start: 0.8422 (OUTLIER) cc_final: 0.7944 (tt0) REVERT: D 218 HIS cc_start: 0.7454 (OUTLIER) cc_final: 0.7049 (m90) REVERT: D 246 TYR cc_start: 0.6953 (m-80) cc_final: 0.6505 (m-80) REVERT: D 317 ARG cc_start: 0.7504 (OUTLIER) cc_final: 0.6356 (mmp80) REVERT: D 334 MET cc_start: 0.6883 (OUTLIER) cc_final: 0.6286 (mmp) REVERT: D 346 CYS cc_start: 0.6212 (OUTLIER) cc_final: 0.5422 (p) REVERT: D 392 ARG cc_start: 0.5883 (OUTLIER) cc_final: 0.5392 (ptt-90) REVERT: D 396 GLU cc_start: 0.7546 (OUTLIER) cc_final: 0.7136 (pp20) REVERT: D 481 GLU cc_start: 0.7959 (OUTLIER) cc_final: 0.7285 (mp0) REVERT: D 510 GLU cc_start: 0.6649 (OUTLIER) cc_final: 0.6019 (mm-30) REVERT: D 513 GLU cc_start: 0.8412 (mp0) cc_final: 0.8112 (mp0) REVERT: D 521 LEU cc_start: 0.8806 (OUTLIER) cc_final: 0.8053 (mp) REVERT: D 575 LEU cc_start: 0.9012 (OUTLIER) cc_final: 0.8783 (mp) REVERT: D 625 LEU cc_start: 0.6237 (OUTLIER) cc_final: 0.5443 (tp) REVERT: D 629 ARG cc_start: 0.8542 (OUTLIER) cc_final: 0.6320 (mmt90) REVERT: D 645 ARG cc_start: 0.7122 (OUTLIER) cc_final: 0.6759 (ptm160) REVERT: D 662 TRP cc_start: 0.5459 (m100) cc_final: 0.4852 (m100) REVERT: D 710 ASP cc_start: 0.8285 (OUTLIER) cc_final: 0.7990 (p0) REVERT: D 757 PHE cc_start: 0.7510 (OUTLIER) cc_final: 0.7149 (m-80) REVERT: D 788 LYS cc_start: 0.5887 (OUTLIER) cc_final: 0.5501 (mtmt) REVERT: D 800 PHE cc_start: 0.6490 (OUTLIER) cc_final: 0.5461 (m-10) REVERT: D 801 LYS cc_start: 0.6504 (OUTLIER) cc_final: 0.6277 (mmtt) REVERT: D 822 ARG cc_start: 0.6747 (OUTLIER) cc_final: 0.5414 (ptt-90) REVERT: D 831 ARG cc_start: 0.7770 (OUTLIER) cc_final: 0.7486 (ptp-110) REVERT: D 917 GLU cc_start: 0.1204 (OUTLIER) cc_final: 0.0574 (tt0) REVERT: D 961 MET cc_start: 0.4719 (OUTLIER) cc_final: 0.4252 (ptt) REVERT: D 1106 ARG cc_start: 0.8273 (OUTLIER) cc_final: 0.7897 (mmt-90) REVERT: D 1127 HIS cc_start: 0.6727 (OUTLIER) cc_final: 0.5851 (t70) REVERT: D 1131 ARG cc_start: 0.7328 (OUTLIER) cc_final: 0.6840 (ptt180) REVERT: D 1137 GLU cc_start: 0.7964 (OUTLIER) cc_final: 0.7474 (mm-30) REVERT: D 1152 MET cc_start: 0.7309 (OUTLIER) cc_final: 0.7057 (mmm) REVERT: D 1198 GLN cc_start: 0.7638 (OUTLIER) cc_final: 0.7352 (mp10) REVERT: D 1259 ARG cc_start: 0.8552 (OUTLIER) cc_final: 0.7788 (mtt90) REVERT: D 1271 ARG cc_start: 0.7616 (OUTLIER) cc_final: 0.6973 (ttp-110) REVERT: D 1462 MET cc_start: 0.7911 (ttm) cc_final: 0.7498 (mtt) REVERT: D 1580 PHE cc_start: 0.8519 (OUTLIER) cc_final: 0.6415 (t80) REVERT: D 1600 LEU cc_start: 0.8885 (OUTLIER) cc_final: 0.7861 (tp) REVERT: D 1671 ARG cc_start: 0.8641 (OUTLIER) cc_final: 0.8045 (mtm-85) REVERT: D 1700 ASP cc_start: 0.8645 (OUTLIER) cc_final: 0.8263 (m-30) REVERT: D 1720 LEU cc_start: 0.9055 (OUTLIER) cc_final: 0.8341 (mp) REVERT: D 1733 GLU cc_start: 0.8250 (OUTLIER) cc_final: 0.7140 (mt-10) REVERT: D 1771 LEU cc_start: 0.9196 (OUTLIER) cc_final: 0.8970 (mp) REVERT: D 1772 ARG cc_start: 0.8788 (OUTLIER) cc_final: 0.8478 (mtt-85) REVERT: D 1815 LEU cc_start: 0.9032 (OUTLIER) cc_final: 0.8337 (mp) REVERT: D 1930 LYS cc_start: 0.8650 (OUTLIER) cc_final: 0.8086 (ttpp) REVERT: D 1981 MET cc_start: 0.5745 (mpp) cc_final: 0.4913 (mtt) REVERT: D 2039 LEU cc_start: 0.8676 (OUTLIER) cc_final: 0.8266 (mp) REVERT: D 2092 GLN cc_start: 0.7591 (mm-40) cc_final: 0.7352 (mm-40) REVERT: D 2161 GLN cc_start: 0.8696 (OUTLIER) cc_final: 0.7809 (tm-30) REVERT: D 2169 GLN cc_start: 0.8785 (OUTLIER) cc_final: 0.8038 (tt0) REVERT: D 2170 MET cc_start: 0.7743 (OUTLIER) cc_final: 0.6848 (tmm) REVERT: D 2173 GLN cc_start: 0.7941 (OUTLIER) cc_final: 0.7722 (tt0) REVERT: D 2197 LEU cc_start: 0.8481 (OUTLIER) cc_final: 0.8149 (mp) REVERT: D 2199 ARG cc_start: 0.8480 (OUTLIER) cc_final: 0.7263 (mtm-85) REVERT: D 2221 LYS cc_start: 0.6501 (OUTLIER) cc_final: 0.6018 (tttt) REVERT: D 2225 PHE cc_start: 0.7850 (OUTLIER) cc_final: 0.7620 (m-80) REVERT: D 2227 LYS cc_start: 0.8647 (OUTLIER) cc_final: 0.8305 (ttmm) REVERT: D 2244 ARG cc_start: 0.8116 (OUTLIER) cc_final: 0.7244 (mtp85) REVERT: D 2245 GLN cc_start: 0.8359 (OUTLIER) cc_final: 0.8001 (mp10) REVERT: D 2248 ARG cc_start: 0.7586 (OUTLIER) cc_final: 0.7051 (ttm-80) REVERT: D 2295 LEU cc_start: 0.7939 (OUTLIER) cc_final: 0.7594 (mm) REVERT: D 2296 GLU cc_start: 0.8804 (OUTLIER) cc_final: 0.8330 (tp30) REVERT: D 2330 ARG cc_start: 0.8407 (OUTLIER) cc_final: 0.7538 (mpt-90) REVERT: D 2377 LEU cc_start: 0.5354 (OUTLIER) cc_final: 0.5135 (mm) REVERT: D 2416 VAL cc_start: 0.8101 (OUTLIER) cc_final: 0.7871 (t) REVERT: D 2458 ARG cc_start: 0.7321 (OUTLIER) cc_final: 0.6882 (tpm170) REVERT: D 3670 GLU cc_start: 0.8550 (OUTLIER) cc_final: 0.8096 (mp0) REVERT: D 3694 LYS cc_start: 0.8491 (OUTLIER) cc_final: 0.8002 (ptmm) REVERT: D 3758 MET cc_start: 0.7623 (tpp) cc_final: 0.7191 (tpp) REVERT: D 3787 LYS cc_start: 0.9186 (OUTLIER) cc_final: 0.8593 (mttp) REVERT: D 3837 GLN cc_start: 0.9057 (OUTLIER) cc_final: 0.8646 (mt0) REVERT: D 3850 GLN cc_start: 0.8667 (OUTLIER) cc_final: 0.8094 (tp-100) REVERT: D 3904 ARG cc_start: 0.9191 (OUTLIER) cc_final: 0.8735 (ttp-110) REVERT: D 3916 ILE cc_start: 0.8824 (OUTLIER) cc_final: 0.8597 (mt) REVERT: D 3924 LEU cc_start: 0.8965 (OUTLIER) cc_final: 0.8602 (tt) REVERT: D 3970 GLN cc_start: 0.8245 (OUTLIER) cc_final: 0.7847 (tt0) REVERT: D 4005 GLN cc_start: 0.7005 (OUTLIER) cc_final: 0.6207 (mt0) REVERT: D 4014 LYS cc_start: 0.6115 (OUTLIER) cc_final: 0.5653 (ptmt) REVERT: D 4069 LYS cc_start: 0.5320 (OUTLIER) cc_final: 0.5117 (tptm) REVERT: D 4100 GLN cc_start: 0.5378 (OUTLIER) cc_final: 0.4504 (mm-40) REVERT: D 4110 PHE cc_start: 0.3543 (OUTLIER) cc_final: 0.2842 (m-80) REVERT: D 4125 PHE cc_start: 0.2167 (OUTLIER) cc_final: 0.0964 (p90) REVERT: D 4135 PRO cc_start: 0.7580 (OUTLIER) cc_final: 0.7310 (Cg_endo) REVERT: D 4159 ARG cc_start: 0.8824 (OUTLIER) cc_final: 0.8119 (mtm-85) REVERT: D 4172 GLU cc_start: 0.8275 (OUTLIER) cc_final: 0.7552 (mp0) REVERT: D 4232 GLU cc_start: 0.9024 (OUTLIER) cc_final: 0.8163 (tt0) REVERT: D 4244 GLU cc_start: 0.8913 (OUTLIER) cc_final: 0.8065 (mm-30) REVERT: D 4632 LEU cc_start: 0.8803 (OUTLIER) cc_final: 0.8466 (tt) REVERT: D 4704 LEU cc_start: 0.9456 (OUTLIER) cc_final: 0.9056 (mp) REVERT: D 4718 LYS cc_start: 0.8911 (OUTLIER) cc_final: 0.8606 (mmtm) REVERT: D 4741 LEU cc_start: 0.9242 (OUTLIER) cc_final: 0.8766 (mp) REVERT: D 4836 GLN cc_start: 0.9155 (OUTLIER) cc_final: 0.8358 (mt0) REVERT: D 4839 MET cc_start: 0.9213 (mmm) cc_final: 0.8957 (mtp) REVERT: D 4869 GLU cc_start: 0.9158 (OUTLIER) cc_final: 0.8370 (tm-30) REVERT: D 4874 MET cc_start: 0.9330 (OUTLIER) cc_final: 0.8281 (mmm) REVERT: D 4948 GLU cc_start: 0.8810 (OUTLIER) cc_final: 0.8143 (mp0) outliers start: 2295 outliers final: 1795 residues processed: 2895 average time/residue: 0.8681 time to fit residues: 4448.1163 Evaluate side-chains 2991 residues out of total 10876 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2168 poor density : 823 time to evaluate : 8.641 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 13 PHE Chi-restraints excluded: chain A residue 18 ASP Chi-restraints excluded: chain A residue 24 CYS Chi-restraints excluded: chain A residue 25 SER 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 47 CYS Chi-restraints excluded: chain A residue 54 ASN Chi-restraints excluded: chain A residue 58 VAL Chi-restraints excluded: chain A residue 66 CYS Chi-restraints excluded: chain A residue 68 THR Chi-restraints excluded: chain A residue 75 VAL Chi-restraints excluded: chain A residue 78 LEU Chi-restraints excluded: chain A residue 81 MET Chi-restraints excluded: chain A residue 82 LEU Chi-restraints excluded: chain A residue 99 ARG Chi-restraints excluded: chain A residue 109 LEU Chi-restraints excluded: chain A residue 115 ARG Chi-restraints excluded: chain A residue 118 LEU Chi-restraints excluded: chain A residue 119 SER Chi-restraints excluded: chain A residue 120 CYS Chi-restraints excluded: chain A residue 125 ARG Chi-restraints excluded: chain A residue 128 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 146 CYS Chi-restraints excluded: chain A residue 149 THR Chi-restraints excluded: chain A residue 150 MET Chi-restraints excluded: chain A residue 156 GLN Chi-restraints excluded: chain A residue 167 ASP Chi-restraints excluded: chain A residue 169 LEU Chi-restraints excluded: chain A residue 184 THR Chi-restraints excluded: chain A residue 188 GLU Chi-restraints excluded: chain A residue 189 LEU Chi-restraints excluded: chain A residue 190 GLN Chi-restraints excluded: chain A residue 197 GLN Chi-restraints excluded: chain A residue 203 ASN Chi-restraints excluded: chain A residue 205 ILE Chi-restraints excluded: chain A residue 210 GLU Chi-restraints excluded: chain A residue 214 VAL Chi-restraints excluded: chain A residue 215 THR Chi-restraints excluded: chain A residue 218 HIS Chi-restraints excluded: chain A residue 220 LEU Chi-restraints excluded: chain A residue 232 THR Chi-restraints excluded: chain A residue 237 ASP Chi-restraints excluded: chain A residue 253 CYS Chi-restraints excluded: chain A residue 255 HIS Chi-restraints excluded: chain A residue 257 ARG Chi-restraints excluded: chain A residue 258 SER Chi-restraints excluded: chain A residue 264 PRO Chi-restraints excluded: chain A residue 266 ARG Chi-restraints excluded: chain A residue 268 SER Chi-restraints excluded: chain A residue 272 SER Chi-restraints excluded: chain A residue 276 TRP Chi-restraints excluded: chain A residue 281 ARG Chi-restraints excluded: chain A residue 286 THR Chi-restraints excluded: chain A residue 290 TYR Chi-restraints excluded: chain A residue 291 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 305 CYS Chi-restraints excluded: chain A residue 309 THR Chi-restraints excluded: chain A residue 312 THR Chi-restraints excluded: chain A residue 313 SER Chi-restraints excluded: chain A residue 315 CYS Chi-restraints excluded: chain A residue 317 ARG Chi-restraints excluded: chain A residue 318 VAL Chi-restraints excluded: chain A residue 319 SER Chi-restraints excluded: chain A residue 320 LYS Chi-restraints excluded: chain A residue 321 GLU Chi-restraints excluded: chain A residue 322 LYS Chi-restraints excluded: chain A residue 334 MET Chi-restraints excluded: chain A residue 339 ILE Chi-restraints excluded: chain A residue 346 CYS Chi-restraints excluded: chain A residue 348 VAL Chi-restraints excluded: chain A residue 353 SER Chi-restraints excluded: chain A residue 358 THR Chi-restraints excluded: chain A residue 359 TYR Chi-restraints excluded: chain A residue 363 ASP Chi-restraints excluded: chain A residue 377 ILE Chi-restraints excluded: chain A residue 386 ASP Chi-restraints excluded: chain A residue 389 PHE Chi-restraints excluded: chain A residue 392 ARG Chi-restraints excluded: chain A residue 397 GLU Chi-restraints excluded: chain A residue 404 ILE Chi-restraints excluded: chain A residue 405 HIS Chi-restraints excluded: chain A residue 407 THR Chi-restraints excluded: chain A residue 413 GLN Chi-restraints excluded: chain A residue 420 SER Chi-restraints excluded: chain A residue 441 VAL Chi-restraints excluded: chain A residue 442 ILE Chi-restraints excluded: chain A residue 447 ASP Chi-restraints excluded: chain A residue 448 LEU Chi-restraints excluded: chain A residue 456 SER Chi-restraints excluded: chain A residue 470 SER Chi-restraints excluded: chain A residue 473 ASN Chi-restraints excluded: chain A residue 477 LEU Chi-restraints excluded: chain A residue 479 GLN Chi-restraints excluded: chain A residue 481 GLU Chi-restraints excluded: chain A residue 487 VAL Chi-restraints excluded: chain A residue 494 LEU Chi-restraints excluded: chain A residue 495 ASN Chi-restraints excluded: chain A residue 496 VAL Chi-restraints excluded: chain A residue 505 GLU Chi-restraints excluded: chain A residue 510 GLU Chi-restraints excluded: chain A residue 521 LEU Chi-restraints excluded: chain A residue 528 SER 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 540 PHE Chi-restraints excluded: chain A residue 545 ASP Chi-restraints excluded: chain A residue 549 SER Chi-restraints excluded: chain A residue 560 ILE Chi-restraints excluded: chain A residue 569 ILE Chi-restraints excluded: chain A residue 575 LEU Chi-restraints excluded: chain A residue 577 ILE Chi-restraints excluded: chain A residue 578 ILE Chi-restraints excluded: chain A residue 580 GLU Chi-restraints excluded: chain A residue 587 ILE Chi-restraints excluded: chain A residue 605 SER Chi-restraints excluded: chain A residue 612 VAL Chi-restraints excluded: chain A residue 621 ILE Chi-restraints excluded: chain A residue 625 LEU Chi-restraints excluded: chain A residue 629 ARG Chi-restraints excluded: chain A residue 637 LEU Chi-restraints excluded: chain A residue 652 ARG Chi-restraints excluded: chain A residue 657 THR Chi-restraints excluded: chain A residue 659 TYR Chi-restraints excluded: chain A residue 663 TYR Chi-restraints excluded: chain A residue 666 VAL Chi-restraints excluded: chain A residue 667 MET Chi-restraints excluded: chain A residue 668 VAL Chi-restraints excluded: chain A residue 672 VAL Chi-restraints excluded: chain A residue 675 LEU 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 707 VAL Chi-restraints excluded: chain A residue 709 ASP Chi-restraints excluded: chain A residue 710 ASP Chi-restraints excluded: chain A residue 721 LEU Chi-restraints excluded: chain A residue 723 THR Chi-restraints excluded: chain A residue 735 GLN Chi-restraints excluded: chain A residue 751 SER Chi-restraints excluded: chain A residue 752 VAL Chi-restraints excluded: chain A residue 755 ILE Chi-restraints excluded: chain A residue 756 SER Chi-restraints excluded: chain A residue 758 ARG Chi-restraints excluded: chain A residue 760 ASN Chi-restraints excluded: chain A residue 768 PHE Chi-restraints excluded: chain A residue 773 LEU Chi-restraints excluded: chain A residue 778 PHE Chi-restraints excluded: chain A residue 781 VAL Chi-restraints excluded: chain A residue 789 VAL Chi-restraints excluded: chain A residue 800 PHE Chi-restraints excluded: chain A residue 801 LYS Chi-restraints excluded: chain A residue 802 PHE Chi-restraints excluded: chain A residue 803 LEU Chi-restraints excluded: chain A residue 822 ARG Chi-restraints excluded: chain A residue 823 LEU Chi-restraints excluded: chain A residue 826 ILE Chi-restraints excluded: chain A residue 831 ARG Chi-restraints excluded: chain A residue 840 VAL Chi-restraints excluded: chain A residue 870 ILE Chi-restraints excluded: chain A residue 921 ASN Chi-restraints excluded: chain A residue 925 SER Chi-restraints excluded: chain A residue 932 LEU Chi-restraints excluded: chain A residue 933 LEU Chi-restraints excluded: chain A residue 961 MET Chi-restraints excluded: chain A residue 970 LEU Chi-restraints excluded: chain A residue 974 HIS Chi-restraints excluded: chain A residue 978 THR Chi-restraints excluded: chain A residue 1029 GLU Chi-restraints excluded: chain A residue 1034 SER Chi-restraints excluded: chain A residue 1043 VAL Chi-restraints excluded: chain A residue 1072 VAL Chi-restraints excluded: chain A residue 1074 ILE Chi-restraints excluded: chain A residue 1085 SER 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 1106 ARG Chi-restraints excluded: chain A residue 1109 LEU Chi-restraints excluded: chain A residue 1113 VAL Chi-restraints excluded: chain A residue 1114 GLU Chi-restraints excluded: chain A residue 1123 VAL Chi-restraints excluded: chain A residue 1127 HIS Chi-restraints excluded: chain A residue 1128 ARG Chi-restraints excluded: chain A residue 1136 SER Chi-restraints excluded: chain A residue 1137 GLU Chi-restraints excluded: chain A residue 1143 TRP Chi-restraints excluded: chain A residue 1145 SER Chi-restraints excluded: chain A residue 1147 ASP Chi-restraints excluded: chain A residue 1151 CYS Chi-restraints excluded: chain A residue 1153 ILE Chi-restraints excluded: chain A residue 1154 ASP Chi-restraints excluded: chain A residue 1155 LEU Chi-restraints excluded: chain A residue 1163 THR Chi-restraints excluded: chain A residue 1164 LEU Chi-restraints excluded: chain A residue 1168 VAL Chi-restraints excluded: chain A residue 1171 SER Chi-restraints excluded: chain A residue 1173 SER Chi-restraints excluded: chain A residue 1179 PHE Chi-restraints excluded: chain A residue 1190 PRO Chi-restraints excluded: chain A residue 1192 CYS Chi-restraints excluded: chain A residue 1193 SER Chi-restraints excluded: chain A residue 1198 GLN Chi-restraints excluded: chain A residue 1202 LEU Chi-restraints excluded: chain A residue 1204 LEU Chi-restraints excluded: chain A residue 1208 VAL Chi-restraints excluded: chain A residue 1216 ILE Chi-restraints excluded: chain A residue 1219 LEU Chi-restraints excluded: chain A residue 1234 VAL Chi-restraints excluded: chain A residue 1238 PHE Chi-restraints excluded: chain A residue 1241 SER 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 1259 ARG Chi-restraints excluded: chain A residue 1269 CYS Chi-restraints excluded: chain A residue 1271 ARG Chi-restraints excluded: chain A residue 1272 LEU Chi-restraints excluded: chain A residue 1282 SER Chi-restraints excluded: chain A residue 1283 LEU Chi-restraints excluded: chain A residue 1287 LEU Chi-restraints excluded: chain A residue 1293 LEU Chi-restraints excluded: chain A residue 1431 THR Chi-restraints excluded: chain A residue 1437 VAL Chi-restraints excluded: chain A residue 1439 VAL Chi-restraints excluded: chain A residue 1444 GLU Chi-restraints excluded: chain A residue 1453 VAL Chi-restraints excluded: chain A residue 1457 TYR Chi-restraints excluded: chain A residue 1460 HIS Chi-restraints excluded: chain A residue 1462 MET Chi-restraints excluded: chain A residue 1466 LEU Chi-restraints excluded: chain A residue 1467 SER Chi-restraints excluded: chain A residue 1468 LYS Chi-restraints excluded: chain A residue 1469 VAL Chi-restraints excluded: chain A residue 1483 VAL Chi-restraints excluded: chain A residue 1485 SER Chi-restraints excluded: chain A residue 1486 SER Chi-restraints excluded: chain A residue 1576 SER Chi-restraints excluded: chain A residue 1580 PHE Chi-restraints excluded: chain A residue 1595 LEU Chi-restraints excluded: chain A residue 1597 VAL Chi-restraints excluded: chain A residue 1599 MET Chi-restraints excluded: chain A residue 1600 LEU Chi-restraints excluded: chain A residue 1603 VAL Chi-restraints excluded: chain A residue 1607 ARG Chi-restraints excluded: chain A residue 1610 ASN Chi-restraints excluded: chain A residue 1632 ASP Chi-restraints excluded: chain A residue 1634 LEU Chi-restraints excluded: chain A residue 1636 MET Chi-restraints excluded: chain A residue 1641 ILE Chi-restraints excluded: chain A residue 1642 PRO Chi-restraints excluded: chain A residue 1647 CYS 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 1671 ARG Chi-restraints excluded: chain A residue 1673 VAL Chi-restraints excluded: chain A residue 1679 ASN Chi-restraints excluded: chain A residue 1685 LEU Chi-restraints excluded: chain A residue 1687 SER Chi-restraints excluded: chain A residue 1698 LEU Chi-restraints excluded: chain A residue 1699 GLU Chi-restraints excluded: chain A residue 1700 ASP Chi-restraints excluded: chain A residue 1704 PRO Chi-restraints excluded: chain A residue 1706 PRO Chi-restraints excluded: chain A residue 1717 SER Chi-restraints excluded: chain A residue 1720 LEU Chi-restraints excluded: chain A residue 1733 GLU Chi-restraints excluded: chain A residue 1736 VAL Chi-restraints excluded: chain A residue 1738 LEU Chi-restraints excluded: chain A residue 1739 THR Chi-restraints excluded: chain A residue 1760 HIS Chi-restraints excluded: chain A residue 1770 SER Chi-restraints excluded: chain A residue 1771 LEU Chi-restraints excluded: chain A residue 1772 ARG Chi-restraints excluded: chain A residue 1778 SER Chi-restraints excluded: chain A residue 1802 ILE Chi-restraints excluded: chain A residue 1812 LEU Chi-restraints excluded: chain A residue 1815 LEU Chi-restraints excluded: chain A residue 1830 VAL Chi-restraints excluded: chain A residue 1834 VAL Chi-restraints excluded: chain A residue 1835 GLU Chi-restraints excluded: chain A residue 1837 GLN Chi-restraints excluded: chain A residue 1849 LEU Chi-restraints excluded: chain A residue 1857 GLU Chi-restraints excluded: chain A residue 1858 ASP Chi-restraints excluded: chain A residue 1869 GLU Chi-restraints excluded: chain A residue 1872 THR Chi-restraints excluded: chain A residue 1873 GLU Chi-restraints excluded: chain A residue 1929 MET Chi-restraints excluded: chain A residue 1930 LYS Chi-restraints excluded: chain A residue 1934 SER Chi-restraints excluded: chain A residue 1955 VAL Chi-restraints excluded: chain A residue 1961 PHE Chi-restraints excluded: chain A residue 1966 VAL Chi-restraints excluded: chain A residue 1969 LEU Chi-restraints excluded: chain A residue 1981 MET Chi-restraints excluded: chain A residue 1987 SER Chi-restraints excluded: chain A residue 1996 ARG Chi-restraints excluded: chain A residue 2014 ASP Chi-restraints excluded: chain A residue 2027 ILE Chi-restraints excluded: chain A residue 2037 ASP Chi-restraints excluded: chain A residue 2039 LEU Chi-restraints excluded: chain A residue 2093 SER Chi-restraints excluded: chain A residue 2094 LEU Chi-restraints excluded: chain A residue 2095 GLN Chi-restraints excluded: chain A residue 2097 LEU Chi-restraints excluded: chain A residue 2098 VAL Chi-restraints excluded: chain A residue 2111 VAL Chi-restraints excluded: chain A residue 2120 MET Chi-restraints excluded: chain A residue 2122 SER Chi-restraints excluded: chain A residue 2131 LEU Chi-restraints excluded: chain A residue 2136 ARG 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 2156 LEU Chi-restraints excluded: chain A residue 2161 GLN Chi-restraints excluded: chain A residue 2166 LEU Chi-restraints excluded: chain A residue 2167 ILE Chi-restraints excluded: chain A residue 2169 GLN Chi-restraints excluded: chain A residue 2170 MET Chi-restraints excluded: chain A residue 2175 GLU Chi-restraints excluded: chain A residue 2186 MET Chi-restraints excluded: chain A residue 2187 ASN Chi-restraints excluded: chain A residue 2197 LEU Chi-restraints excluded: chain A residue 2199 ARG Chi-restraints excluded: chain A residue 2203 MET Chi-restraints excluded: chain A residue 2221 LYS Chi-restraints excluded: chain A residue 2225 PHE Chi-restraints excluded: chain A residue 2227 LYS Chi-restraints excluded: chain A residue 2228 MET Chi-restraints excluded: chain A residue 2229 VAL Chi-restraints excluded: chain A residue 2230 THR Chi-restraints excluded: chain A residue 2231 SER Chi-restraints excluded: chain A residue 2238 TYR Chi-restraints excluded: chain A residue 2241 ARG Chi-restraints excluded: chain A residue 2242 ILE Chi-restraints excluded: chain A residue 2244 ARG Chi-restraints excluded: chain A residue 2249 SER Chi-restraints excluded: chain A residue 2252 ASP Chi-restraints excluded: chain A residue 2259 GLU Chi-restraints excluded: chain A residue 2270 SER Chi-restraints excluded: chain A residue 2274 ASP Chi-restraints excluded: chain A residue 2275 VAL Chi-restraints excluded: chain A residue 2280 VAL Chi-restraints excluded: chain A residue 2281 ILE Chi-restraints excluded: chain A residue 2284 ASN Chi-restraints excluded: chain A residue 2290 LEU Chi-restraints excluded: chain A residue 2293 GLN Chi-restraints excluded: chain A residue 2294 ASP Chi-restraints excluded: chain A residue 2295 LEU Chi-restraints excluded: chain A residue 2296 GLU Chi-restraints excluded: chain A residue 2299 VAL Chi-restraints excluded: chain A residue 2300 SER Chi-restraints excluded: chain A residue 2312 MET Chi-restraints excluded: chain A residue 2324 ASN Chi-restraints excluded: chain A residue 2330 ARG Chi-restraints excluded: chain A residue 2333 ASP Chi-restraints excluded: chain A residue 2336 ARG Chi-restraints excluded: chain A residue 2341 VAL Chi-restraints excluded: chain A residue 2345 SER Chi-restraints excluded: chain A residue 2346 VAL Chi-restraints excluded: chain A residue 2352 VAL Chi-restraints excluded: chain A residue 2353 VAL Chi-restraints excluded: chain A residue 2368 LEU Chi-restraints excluded: chain A residue 2387 SER Chi-restraints excluded: chain A residue 2416 VAL Chi-restraints excluded: chain A residue 2423 MET Chi-restraints excluded: chain A residue 2430 ILE Chi-restraints excluded: chain A residue 2442 LEU Chi-restraints excluded: chain A residue 2454 ARG Chi-restraints excluded: chain A residue 2458 ARG Chi-restraints excluded: chain A residue 2460 LEU Chi-restraints excluded: chain A residue 2461 VAL Chi-restraints excluded: chain A residue 2479 LEU Chi-restraints excluded: chain A residue 3644 LEU Chi-restraints excluded: chain A residue 3652 MET Chi-restraints excluded: chain A residue 3656 SER Chi-restraints excluded: chain A residue 3661 TRP Chi-restraints excluded: chain A residue 3662 ILE Chi-restraints excluded: chain A residue 3663 LEU Chi-restraints excluded: chain A residue 3669 PHE Chi-restraints excluded: chain A residue 3670 GLU Chi-restraints excluded: chain A residue 3678 SER Chi-restraints excluded: chain A residue 3694 LYS Chi-restraints excluded: chain A residue 3696 ASP Chi-restraints excluded: chain A residue 3707 ARG Chi-restraints excluded: chain A residue 3711 THR Chi-restraints excluded: chain A residue 3719 ASP Chi-restraints excluded: chain A residue 3732 SER Chi-restraints excluded: chain A residue 3752 SER Chi-restraints excluded: chain A residue 3754 GLU Chi-restraints excluded: chain A residue 3756 LYS Chi-restraints excluded: chain A residue 3764 LEU Chi-restraints excluded: chain A residue 3772 THR Chi-restraints excluded: chain A residue 3779 VAL Chi-restraints excluded: chain A residue 3787 LYS Chi-restraints excluded: chain A residue 3793 MET Chi-restraints excluded: chain A residue 3795 SER Chi-restraints excluded: chain A residue 3803 SER Chi-restraints excluded: chain A residue 3822 ASP Chi-restraints excluded: chain A residue 3826 VAL Chi-restraints excluded: chain A residue 3837 GLN Chi-restraints excluded: chain A residue 3869 GLN Chi-restraints excluded: chain A residue 3873 LYS Chi-restraints excluded: chain A residue 3875 MET Chi-restraints excluded: chain A residue 3881 THR Chi-restraints excluded: chain A residue 3893 GLU Chi-restraints excluded: chain A residue 3904 ARG Chi-restraints excluded: chain A residue 3905 THR Chi-restraints excluded: chain A residue 3907 THR Chi-restraints excluded: chain A residue 3916 ILE Chi-restraints excluded: chain A residue 3924 LEU Chi-restraints excluded: chain A residue 3929 SER Chi-restraints excluded: chain A residue 3930 ILE Chi-restraints excluded: chain A residue 3933 PHE Chi-restraints excluded: chain A residue 3938 SER Chi-restraints excluded: chain A residue 3942 VAL Chi-restraints excluded: chain A residue 3945 GLU Chi-restraints excluded: chain A residue 3952 SER Chi-restraints excluded: chain A residue 3967 GLU Chi-restraints excluded: chain A residue 3969 ILE Chi-restraints excluded: chain A residue 3970 GLN Chi-restraints excluded: chain A residue 3995 VAL Chi-restraints excluded: chain A residue 4005 GLN Chi-restraints excluded: chain A residue 4007 SER Chi-restraints excluded: chain A residue 4008 SER Chi-restraints excluded: chain A residue 4015 GLU Chi-restraints excluded: chain A residue 4018 ASP Chi-restraints excluded: chain A residue 4019 LEU Chi-restraints excluded: chain A residue 4026 MET 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 4048 LEU Chi-restraints excluded: chain A residue 4049 VAL Chi-restraints excluded: chain A residue 4051 SER Chi-restraints excluded: chain A residue 4052 SER Chi-restraints excluded: chain A residue 4053 SER Chi-restraints excluded: chain A residue 4055 VAL Chi-restraints excluded: chain A residue 4064 MET Chi-restraints excluded: chain A residue 4067 LYS Chi-restraints excluded: chain A residue 4072 VAL Chi-restraints excluded: chain A residue 4075 GLU Chi-restraints excluded: chain A residue 4100 GLN Chi-restraints excluded: chain A residue 4102 GLN Chi-restraints excluded: chain A residue 4107 GLU Chi-restraints excluded: chain A residue 4109 GLN Chi-restraints excluded: chain A residue 4110 PHE Chi-restraints excluded: chain A residue 4112 LEU Chi-restraints excluded: chain A residue 4113 SER Chi-restraints excluded: chain A residue 4115 SER Chi-restraints excluded: chain A residue 4120 ASN Chi-restraints excluded: chain A residue 4123 ILE Chi-restraints excluded: chain A residue 4125 PHE Chi-restraints excluded: chain A residue 4127 GLU Chi-restraints excluded: chain A residue 4135 PRO Chi-restraints excluded: chain A residue 4139 ILE Chi-restraints excluded: chain A residue 4145 VAL Chi-restraints excluded: chain A residue 4154 VAL Chi-restraints excluded: chain A residue 4159 ARG Chi-restraints excluded: chain A residue 4170 ILE Chi-restraints excluded: chain A residue 4172 GLU Chi-restraints excluded: chain A residue 4176 PRO Chi-restraints excluded: chain A residue 4178 LEU Chi-restraints excluded: chain A residue 4184 MET Chi-restraints excluded: chain A residue 4196 GLU Chi-restraints excluded: chain A residue 4200 THR Chi-restraints excluded: chain A residue 4220 ASP Chi-restraints excluded: chain A residue 4221 VAL Chi-restraints excluded: chain A residue 4232 GLU Chi-restraints excluded: chain A residue 4242 ILE Chi-restraints excluded: chain A residue 4244 GLU Chi-restraints excluded: chain A residue 4251 ILE Chi-restraints excluded: chain A residue 4546 VAL 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 4565 LEU Chi-restraints excluded: chain A residue 4582 VAL Chi-restraints excluded: chain A residue 4632 LEU Chi-restraints excluded: chain A residue 4634 GLU Chi-restraints excluded: chain A residue 4645 CYS Chi-restraints excluded: chain A residue 4647 SER Chi-restraints excluded: chain A residue 4648 LEU Chi-restraints excluded: chain A residue 4653 VAL Chi-restraints excluded: chain A residue 4662 ASN Chi-restraints excluded: chain A residue 4667 PRO Chi-restraints excluded: chain A residue 4669 VAL Chi-restraints excluded: chain A residue 4684 ASP Chi-restraints excluded: chain A residue 4688 ILE Chi-restraints excluded: chain A residue 4689 THR Chi-restraints excluded: chain A residue 4690 GLU Chi-restraints excluded: chain A residue 4694 ASP Chi-restraints excluded: chain A residue 4695 ASP Chi-restraints excluded: chain A residue 4698 LYS Chi-restraints excluded: chain A residue 4704 LEU Chi-restraints excluded: chain A residue 4707 ASN Chi-restraints excluded: chain A residue 4710 SER Chi-restraints excluded: chain A residue 4713 SER Chi-restraints excluded: chain A residue 4718 LYS Chi-restraints excluded: chain A residue 4722 ARG Chi-restraints excluded: chain A residue 4737 ILE Chi-restraints excluded: chain A residue 4741 LEU Chi-restraints excluded: chain A residue 4743 MET Chi-restraints excluded: chain A residue 4745 LEU Chi-restraints excluded: chain A residue 4766 THR Chi-restraints excluded: chain A residue 4788 SER Chi-restraints excluded: chain A residue 4796 MET Chi-restraints excluded: chain A residue 4816 ILE Chi-restraints excluded: chain A residue 4818 MET Chi-restraints excluded: chain A residue 4825 THR Chi-restraints excluded: chain A residue 4836 GLN Chi-restraints excluded: chain A residue 4838 VAL Chi-restraints excluded: chain A residue 4850 LEU Chi-restraints excluded: chain A residue 4879 MET Chi-restraints excluded: chain A residue 4880 MET Chi-restraints excluded: chain A residue 4881 THR Chi-restraints excluded: chain A residue 4901 ILE Chi-restraints excluded: chain A residue 4918 ILE Chi-restraints excluded: chain A residue 4919 THR Chi-restraints excluded: chain A residue 4948 GLU Chi-restraints excluded: chain A residue 4952 GLU Chi-restraints excluded: chain A residue 4954 MET Chi-restraints excluded: chain A residue 4956 THR Chi-restraints excluded: chain A residue 4957 LYS Chi-restraints excluded: chain A residue 4961 CYS Chi-restraints excluded: chain A residue 4965 SER Chi-restraints excluded: chain A residue 4966 ASP Chi-restraints excluded: chain A residue 4980 LEU Chi-restraints excluded: chain A residue 4992 LEU Chi-restraints excluded: chain A residue 5002 GLU Chi-restraints excluded: chain A residue 5008 SER Chi-restraints excluded: chain A residue 5023 PRO Chi-restraints excluded: chain B residue 13 PHE Chi-restraints excluded: chain B residue 18 ASP Chi-restraints excluded: chain B residue 23 GLN Chi-restraints excluded: chain B residue 24 CYS Chi-restraints excluded: chain B residue 25 SER Chi-restraints excluded: chain B residue 29 LEU Chi-restraints excluded: chain B residue 32 GLN Chi-restraints excluded: chain B residue 33 LEU Chi-restraints excluded: chain B residue 35 LEU Chi-restraints excluded: chain B residue 47 CYS Chi-restraints excluded: chain B residue 54 ASN Chi-restraints excluded: chain B residue 66 CYS Chi-restraints excluded: chain B residue 68 THR Chi-restraints excluded: chain B residue 75 VAL Chi-restraints excluded: chain B residue 78 LEU Chi-restraints excluded: chain B residue 81 MET Chi-restraints excluded: chain B residue 82 LEU Chi-restraints excluded: chain B residue 99 ARG Chi-restraints excluded: chain B residue 109 LEU Chi-restraints excluded: chain B residue 115 ARG Chi-restraints excluded: chain B residue 118 LEU Chi-restraints excluded: chain B residue 119 SER Chi-restraints excluded: chain B residue 120 CYS Chi-restraints excluded: chain B residue 125 ARG Chi-restraints excluded: chain B residue 128 THR Chi-restraints excluded: chain B residue 129 ASP 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 146 CYS Chi-restraints excluded: chain B residue 149 THR Chi-restraints excluded: chain B residue 156 GLN Chi-restraints excluded: chain B residue 167 ASP Chi-restraints excluded: chain B residue 169 LEU Chi-restraints excluded: chain B residue 184 THR Chi-restraints excluded: chain B residue 188 GLU Chi-restraints excluded: chain B residue 189 LEU Chi-restraints excluded: chain B residue 190 GLN Chi-restraints excluded: chain B residue 197 GLN Chi-restraints excluded: chain B residue 202 MET Chi-restraints excluded: chain B residue 203 ASN Chi-restraints excluded: chain B residue 205 ILE Chi-restraints excluded: chain B residue 210 GLU Chi-restraints excluded: chain B residue 214 VAL Chi-restraints excluded: chain B residue 215 THR Chi-restraints excluded: chain B residue 218 HIS Chi-restraints excluded: chain B residue 220 LEU Chi-restraints excluded: chain B residue 232 THR Chi-restraints excluded: chain B residue 237 ASP Chi-restraints excluded: chain B residue 253 CYS Chi-restraints excluded: chain B residue 255 HIS Chi-restraints excluded: chain B residue 257 ARG Chi-restraints excluded: chain B residue 264 PRO Chi-restraints excluded: chain B residue 265 LEU Chi-restraints excluded: chain B residue 266 ARG Chi-restraints excluded: chain B residue 268 SER Chi-restraints excluded: chain B residue 272 SER Chi-restraints excluded: chain B residue 281 ARG Chi-restraints excluded: chain B residue 287 THR Chi-restraints excluded: chain B residue 290 TYR Chi-restraints excluded: chain B residue 291 LEU Chi-restraints excluded: chain B residue 301 VAL Chi-restraints excluded: chain B residue 303 ASP Chi-restraints excluded: chain B residue 305 CYS Chi-restraints excluded: chain B residue 309 THR Chi-restraints excluded: chain B residue 310 LYS Chi-restraints excluded: chain B residue 312 THR Chi-restraints excluded: chain B residue 315 CYS Chi-restraints excluded: chain B residue 317 ARG Chi-restraints excluded: chain B residue 318 VAL Chi-restraints excluded: chain B residue 319 SER Chi-restraints excluded: chain B residue 321 GLU Chi-restraints excluded: chain B residue 334 MET Chi-restraints excluded: chain B residue 339 ILE Chi-restraints excluded: chain B residue 346 CYS Chi-restraints excluded: chain B residue 348 VAL Chi-restraints excluded: chain B residue 353 SER Chi-restraints excluded: chain B residue 358 THR Chi-restraints excluded: chain B residue 359 TYR Chi-restraints excluded: chain B residue 363 ASP Chi-restraints excluded: chain B residue 377 ILE Chi-restraints excluded: chain B residue 384 MET Chi-restraints excluded: chain B residue 386 ASP Chi-restraints excluded: chain B residue 389 PHE Chi-restraints excluded: chain B residue 392 ARG Chi-restraints excluded: chain B residue 396 GLU Chi-restraints excluded: chain B residue 397 GLU Chi-restraints excluded: chain B residue 404 ILE Chi-restraints excluded: chain B residue 405 HIS Chi-restraints excluded: chain B residue 407 THR Chi-restraints excluded: chain B residue 413 GLN Chi-restraints excluded: chain B residue 420 SER Chi-restraints excluded: chain B residue 441 VAL Chi-restraints excluded: chain B residue 442 ILE Chi-restraints excluded: chain B residue 447 ASP Chi-restraints excluded: chain B residue 448 LEU Chi-restraints excluded: chain B residue 456 SER Chi-restraints excluded: chain B residue 470 SER Chi-restraints excluded: chain B residue 479 GLN Chi-restraints excluded: chain B residue 487 VAL Chi-restraints excluded: chain B residue 494 LEU Chi-restraints excluded: chain B residue 495 ASN Chi-restraints excluded: chain B residue 496 VAL Chi-restraints excluded: chain B residue 503 PHE Chi-restraints excluded: chain B residue 505 GLU Chi-restraints excluded: chain B residue 510 GLU Chi-restraints excluded: chain B residue 521 LEU Chi-restraints excluded: chain B residue 528 SER Chi-restraints excluded: chain B residue 529 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 540 PHE Chi-restraints excluded: chain B residue 545 ASP Chi-restraints excluded: chain B residue 549 SER Chi-restraints excluded: chain B residue 560 ILE Chi-restraints excluded: chain B residue 569 ILE Chi-restraints excluded: chain B residue 575 LEU Chi-restraints excluded: chain B residue 577 ILE Chi-restraints excluded: chain B residue 578 ILE Chi-restraints excluded: chain B residue 580 GLU Chi-restraints excluded: chain B residue 587 ILE Chi-restraints excluded: chain B residue 605 SER Chi-restraints excluded: chain B residue 612 VAL Chi-restraints excluded: chain B residue 621 ILE Chi-restraints excluded: chain B residue 625 LEU Chi-restraints excluded: chain B residue 629 ARG Chi-restraints excluded: chain B residue 637 LEU Chi-restraints excluded: chain B residue 645 ARG Chi-restraints excluded: chain B residue 657 THR Chi-restraints excluded: chain B residue 659 TYR Chi-restraints excluded: chain B residue 663 TYR Chi-restraints excluded: chain B residue 666 VAL Chi-restraints excluded: chain B residue 667 MET Chi-restraints excluded: chain B residue 668 VAL Chi-restraints excluded: chain B residue 675 LEU 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 707 VAL Chi-restraints excluded: chain B residue 709 ASP Chi-restraints excluded: chain B residue 710 ASP Chi-restraints excluded: chain B residue 714 TYR Chi-restraints excluded: chain B residue 723 THR Chi-restraints excluded: chain B residue 735 GLN Chi-restraints excluded: chain B residue 751 SER Chi-restraints excluded: chain B residue 752 VAL Chi-restraints excluded: chain B residue 755 ILE Chi-restraints excluded: chain B residue 756 SER Chi-restraints excluded: chain B residue 758 ARG Chi-restraints excluded: chain B residue 760 ASN Chi-restraints excluded: chain B residue 768 PHE Chi-restraints excluded: chain B residue 773 LEU Chi-restraints excluded: chain B residue 781 VAL Chi-restraints excluded: chain B residue 788 LYS Chi-restraints excluded: chain B residue 800 PHE Chi-restraints excluded: chain B residue 801 LYS Chi-restraints excluded: chain B residue 802 PHE Chi-restraints excluded: chain B residue 803 LEU Chi-restraints excluded: chain B residue 822 ARG Chi-restraints excluded: chain B residue 823 LEU Chi-restraints excluded: chain B residue 826 ILE Chi-restraints excluded: chain B residue 831 ARG Chi-restraints excluded: chain B residue 840 VAL Chi-restraints excluded: chain B residue 921 ASN Chi-restraints excluded: chain B residue 925 SER Chi-restraints excluded: chain B residue 932 LEU Chi-restraints excluded: chain B residue 933 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 993 HIS Chi-restraints excluded: chain B residue 1043 VAL Chi-restraints excluded: chain B residue 1072 VAL Chi-restraints excluded: chain B residue 1074 ILE Chi-restraints excluded: chain B residue 1085 SER 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 1106 ARG Chi-restraints excluded: chain B residue 1109 LEU Chi-restraints excluded: chain B residue 1113 VAL Chi-restraints excluded: chain B residue 1114 GLU Chi-restraints excluded: chain B residue 1123 VAL Chi-restraints excluded: chain B residue 1127 HIS Chi-restraints excluded: chain B residue 1131 ARG Chi-restraints excluded: chain B residue 1136 SER Chi-restraints excluded: chain B residue 1137 GLU Chi-restraints excluded: chain B residue 1143 TRP Chi-restraints excluded: chain B residue 1145 SER Chi-restraints excluded: chain B residue 1147 ASP Chi-restraints excluded: chain B residue 1151 CYS Chi-restraints excluded: chain B residue 1152 MET Chi-restraints excluded: chain B residue 1153 ILE Chi-restraints excluded: chain B residue 1154 ASP Chi-restraints excluded: chain B residue 1155 LEU Chi-restraints excluded: chain B residue 1163 THR Chi-restraints excluded: chain B residue 1164 LEU Chi-restraints excluded: chain B residue 1168 VAL Chi-restraints excluded: chain B residue 1169 LEU Chi-restraints excluded: chain B residue 1173 SER Chi-restraints excluded: chain B residue 1179 PHE Chi-restraints excluded: chain B residue 1182 ILE Chi-restraints excluded: chain B residue 1190 PRO Chi-restraints excluded: chain B residue 1192 CYS Chi-restraints excluded: chain B residue 1193 SER Chi-restraints excluded: chain B residue 1198 GLN Chi-restraints excluded: chain B residue 1202 LEU Chi-restraints excluded: chain B residue 1204 LEU Chi-restraints excluded: chain B residue 1208 VAL Chi-restraints excluded: chain B residue 1216 ILE Chi-restraints excluded: chain B residue 1219 LEU Chi-restraints excluded: chain B residue 1221 GLU Chi-restraints excluded: chain B residue 1234 VAL Chi-restraints excluded: chain B residue 1238 PHE Chi-restraints excluded: chain B residue 1241 SER Chi-restraints excluded: chain B residue 1248 VAL Chi-restraints excluded: chain B residue 1251 GLU Chi-restraints excluded: chain B residue 1259 ARG Chi-restraints excluded: chain B residue 1269 CYS Chi-restraints excluded: chain B residue 1271 ARG Chi-restraints excluded: chain B residue 1272 LEU Chi-restraints excluded: chain B residue 1282 SER Chi-restraints excluded: chain B residue 1287 LEU Chi-restraints excluded: chain B residue 1431 THR Chi-restraints excluded: chain B residue 1437 VAL Chi-restraints excluded: chain B residue 1439 VAL Chi-restraints excluded: chain B residue 1444 GLU Chi-restraints excluded: chain B residue 1446 SER Chi-restraints excluded: chain B residue 1457 TYR Chi-restraints excluded: chain B residue 1460 HIS Chi-restraints excluded: chain B residue 1462 MET Chi-restraints excluded: chain B residue 1466 LEU Chi-restraints excluded: chain B residue 1467 SER Chi-restraints excluded: chain B residue 1468 LYS Chi-restraints excluded: chain B residue 1469 VAL Chi-restraints excluded: chain B residue 1485 SER Chi-restraints excluded: chain B residue 1486 SER Chi-restraints excluded: chain B residue 1489 CYS Chi-restraints excluded: chain B residue 1576 SER Chi-restraints excluded: chain B residue 1580 PHE Chi-restraints excluded: chain B residue 1581 LEU Chi-restraints excluded: chain B residue 1583 GLU Chi-restraints excluded: chain B residue 1585 LYS Chi-restraints excluded: chain B residue 1595 LEU Chi-restraints excluded: chain B residue 1597 VAL Chi-restraints excluded: chain B residue 1599 MET Chi-restraints excluded: chain B residue 1600 LEU Chi-restraints excluded: chain B residue 1603 VAL Chi-restraints excluded: chain B residue 1607 ARG Chi-restraints excluded: chain B residue 1610 ASN Chi-restraints excluded: chain B residue 1630 CYS Chi-restraints excluded: chain B residue 1632 ASP Chi-restraints excluded: chain B residue 1634 LEU Chi-restraints excluded: chain B residue 1636 MET Chi-restraints excluded: chain B residue 1641 ILE Chi-restraints excluded: chain B residue 1642 PRO Chi-restraints excluded: chain B residue 1647 CYS Chi-restraints excluded: chain B residue 1657 LEU Chi-restraints excluded: chain B residue 1666 THR Chi-restraints excluded: chain B residue 1668 ARG Chi-restraints excluded: chain B residue 1671 ARG Chi-restraints excluded: chain B residue 1673 VAL Chi-restraints excluded: chain B residue 1679 ASN Chi-restraints excluded: chain B residue 1685 LEU Chi-restraints excluded: chain B residue 1687 SER Chi-restraints excluded: chain B residue 1689 VAL Chi-restraints excluded: chain B residue 1698 LEU Chi-restraints excluded: chain B residue 1699 GLU Chi-restraints excluded: chain B residue 1700 ASP Chi-restraints excluded: chain B residue 1704 PRO Chi-restraints excluded: chain B residue 1706 PRO Chi-restraints excluded: chain B residue 1717 SER Chi-restraints excluded: chain B residue 1720 LEU Chi-restraints excluded: chain B residue 1733 GLU Chi-restraints excluded: chain B residue 1736 VAL Chi-restraints excluded: chain B residue 1738 LEU Chi-restraints excluded: chain B residue 1739 THR Chi-restraints excluded: chain B residue 1759 ARG Chi-restraints excluded: chain B residue 1770 SER Chi-restraints excluded: chain B residue 1771 LEU 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 1802 ILE Chi-restraints excluded: chain B residue 1812 LEU Chi-restraints excluded: chain B residue 1815 LEU Chi-restraints excluded: chain B residue 1830 VAL Chi-restraints excluded: chain B residue 1834 VAL Chi-restraints excluded: chain B residue 1835 GLU Chi-restraints excluded: chain B residue 1837 GLN Chi-restraints excluded: chain B residue 1849 LEU Chi-restraints excluded: chain B residue 1857 GLU Chi-restraints excluded: chain B residue 1858 ASP Chi-restraints excluded: chain B residue 1863 LEU Chi-restraints excluded: chain B residue 1869 GLU Chi-restraints excluded: chain B residue 1870 VAL Chi-restraints excluded: chain B residue 1873 GLU Chi-restraints excluded: chain B residue 1929 MET Chi-restraints excluded: chain B residue 1934 SER Chi-restraints excluded: chain B residue 1955 VAL Chi-restraints excluded: chain B residue 1961 PHE Chi-restraints excluded: chain B residue 1966 VAL Chi-restraints excluded: chain B residue 1969 LEU Chi-restraints excluded: chain B residue 1981 MET Chi-restraints excluded: chain B residue 1993 ARG Chi-restraints excluded: chain B residue 1995 THR Chi-restraints excluded: chain B residue 1996 ARG Chi-restraints excluded: chain B residue 2037 ASP Chi-restraints excluded: chain B residue 2039 LEU Chi-restraints excluded: chain B residue 2090 LYS Chi-restraints excluded: chain B residue 2093 SER Chi-restraints excluded: chain B residue 2094 LEU Chi-restraints excluded: chain B residue 2095 GLN Chi-restraints excluded: chain B residue 2097 LEU Chi-restraints excluded: chain B residue 2098 VAL Chi-restraints excluded: chain B residue 2100 HIS Chi-restraints excluded: chain B residue 2111 VAL Chi-restraints excluded: chain B residue 2122 SER Chi-restraints excluded: chain B residue 2136 ARG 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 2152 THR Chi-restraints excluded: chain B residue 2156 LEU Chi-restraints excluded: chain B residue 2161 GLN Chi-restraints excluded: chain B residue 2166 LEU Chi-restraints excluded: chain B residue 2167 ILE Chi-restraints excluded: chain B residue 2169 GLN Chi-restraints excluded: chain B residue 2170 MET Chi-restraints excluded: chain B residue 2175 GLU Chi-restraints excluded: chain B residue 2186 MET Chi-restraints excluded: chain B residue 2187 ASN Chi-restraints excluded: chain B residue 2197 LEU Chi-restraints excluded: chain B residue 2199 ARG Chi-restraints excluded: chain B residue 2221 LYS Chi-restraints excluded: chain B residue 2225 PHE Chi-restraints excluded: chain B residue 2227 LYS Chi-restraints excluded: chain B residue 2228 MET Chi-restraints excluded: chain B residue 2229 VAL Chi-restraints excluded: chain B residue 2230 THR Chi-restraints excluded: chain B residue 2231 SER Chi-restraints excluded: chain B residue 2238 TYR Chi-restraints excluded: chain B residue 2241 ARG Chi-restraints excluded: chain B residue 2242 ILE Chi-restraints excluded: chain B residue 2244 ARG Chi-restraints excluded: chain B residue 2248 ARG Chi-restraints excluded: chain B residue 2270 SER Chi-restraints excluded: chain B residue 2274 ASP Chi-restraints excluded: chain B residue 2275 VAL Chi-restraints excluded: chain B residue 2280 VAL Chi-restraints excluded: chain B residue 2281 ILE Chi-restraints excluded: chain B residue 2290 LEU Chi-restraints excluded: chain B residue 2294 ASP Chi-restraints excluded: chain B residue 2295 LEU Chi-restraints excluded: chain B residue 2296 GLU Chi-restraints excluded: chain B residue 2299 VAL Chi-restraints excluded: chain B residue 2300 SER Chi-restraints excluded: chain B residue 2309 SER Chi-restraints excluded: chain B residue 2312 MET Chi-restraints excluded: chain B residue 2316 LYS Chi-restraints excluded: chain B residue 2324 ASN Chi-restraints excluded: chain B residue 2330 ARG Chi-restraints excluded: chain B residue 2333 ASP Chi-restraints excluded: chain B residue 2336 ARG Chi-restraints excluded: chain B residue 2341 VAL Chi-restraints excluded: chain B residue 2345 SER Chi-restraints excluded: chain B residue 2346 VAL Chi-restraints excluded: chain B residue 2352 VAL Chi-restraints excluded: chain B residue 2353 VAL Chi-restraints excluded: chain B residue 2368 LEU Chi-restraints excluded: chain B residue 2377 LEU Chi-restraints excluded: chain B residue 2387 SER Chi-restraints excluded: chain B residue 2416 VAL Chi-restraints excluded: chain B residue 2423 MET Chi-restraints excluded: chain B residue 2430 ILE Chi-restraints excluded: chain B residue 2442 LEU Chi-restraints excluded: chain B residue 2454 ARG Chi-restraints excluded: chain B residue 2458 ARG Chi-restraints excluded: chain B residue 2460 LEU Chi-restraints excluded: chain B residue 2461 VAL Chi-restraints excluded: chain B residue 2474 LEU Chi-restraints excluded: chain B residue 2479 LEU Chi-restraints excluded: chain B residue 3641 LEU Chi-restraints excluded: chain B residue 3644 LEU Chi-restraints excluded: chain B residue 3646 THR Chi-restraints excluded: chain B residue 3648 ARG Chi-restraints excluded: chain B residue 3652 MET Chi-restraints excluded: chain B residue 3656 SER Chi-restraints excluded: chain B residue 3662 ILE Chi-restraints excluded: chain B residue 3667 HIS Chi-restraints excluded: chain B residue 3670 GLU Chi-restraints excluded: chain B residue 3678 SER Chi-restraints excluded: chain B residue 3694 LYS Chi-restraints excluded: chain B residue 3696 ASP Chi-restraints excluded: chain B residue 3707 ARG Chi-restraints excluded: chain B residue 3711 THR Chi-restraints excluded: chain B residue 3719 ASP Chi-restraints excluded: chain B residue 3732 SER Chi-restraints excluded: chain B residue 3733 CYS Chi-restraints excluded: chain B residue 3752 SER Chi-restraints excluded: chain B residue 3754 GLU Chi-restraints excluded: chain B residue 3764 LEU Chi-restraints excluded: chain B residue 3772 THR Chi-restraints excluded: chain B residue 3779 VAL Chi-restraints excluded: chain B residue 3793 MET Chi-restraints excluded: chain B residue 3795 SER Chi-restraints excluded: chain B residue 3803 SER Chi-restraints excluded: chain B residue 3822 ASP Chi-restraints excluded: chain B residue 3826 VAL Chi-restraints excluded: chain B residue 3837 GLN Chi-restraints excluded: chain B residue 3850 GLN Chi-restraints excluded: chain B residue 3852 LYS Chi-restraints excluded: chain B residue 3856 LEU Chi-restraints excluded: chain B residue 3869 GLN Chi-restraints excluded: chain B residue 3872 GLU Chi-restraints excluded: chain B residue 3881 THR Chi-restraints excluded: chain B residue 3893 GLU Chi-restraints excluded: chain B residue 3904 ARG Chi-restraints excluded: chain B residue 3905 THR Chi-restraints excluded: chain B residue 3907 THR Chi-restraints excluded: chain B residue 3916 ILE Chi-restraints excluded: chain B residue 3924 LEU Chi-restraints excluded: chain B residue 3929 SER Chi-restraints excluded: chain B residue 3930 ILE Chi-restraints excluded: chain B residue 3933 PHE Chi-restraints excluded: chain B residue 3938 SER Chi-restraints excluded: chain B residue 3942 VAL Chi-restraints excluded: chain B residue 3945 GLU Chi-restraints excluded: chain B residue 3952 SER Chi-restraints excluded: chain B residue 3967 GLU Chi-restraints excluded: chain B residue 3969 ILE Chi-restraints excluded: chain B residue 3970 GLN Chi-restraints excluded: chain B residue 3995 VAL Chi-restraints excluded: chain B residue 4005 GLN Chi-restraints excluded: chain B residue 4007 SER Chi-restraints excluded: chain B residue 4008 SER Chi-restraints excluded: chain B residue 4012 LEU Chi-restraints excluded: chain B residue 4014 LYS Chi-restraints excluded: chain B residue 4018 ASP 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 4048 LEU Chi-restraints excluded: chain B residue 4049 VAL Chi-restraints excluded: chain B residue 4051 SER Chi-restraints excluded: chain B residue 4052 SER Chi-restraints excluded: chain B residue 4053 SER Chi-restraints excluded: chain B residue 4055 VAL Chi-restraints excluded: chain B residue 4064 MET Chi-restraints excluded: chain B residue 4067 LYS Chi-restraints excluded: chain B residue 4072 VAL Chi-restraints excluded: chain B residue 4075 GLU Chi-restraints excluded: chain B residue 4082 THR Chi-restraints excluded: chain B residue 4083 ASP Chi-restraints excluded: chain B residue 4087 LEU Chi-restraints excluded: chain B residue 4088 ILE Chi-restraints excluded: chain B residue 4098 ASP Chi-restraints excluded: chain B residue 4100 GLN Chi-restraints excluded: chain B residue 4106 PRO Chi-restraints excluded: chain B residue 4107 GLU Chi-restraints excluded: chain B residue 4109 GLN Chi-restraints excluded: chain B residue 4110 PHE Chi-restraints excluded: chain B residue 4112 LEU Chi-restraints excluded: chain B residue 4113 SER Chi-restraints excluded: chain B residue 4115 SER Chi-restraints excluded: chain B residue 4120 ASN Chi-restraints excluded: chain B residue 4123 ILE Chi-restraints excluded: chain B residue 4125 PHE Chi-restraints excluded: chain B residue 4127 GLU Chi-restraints excluded: chain B residue 4135 PRO Chi-restraints excluded: chain B residue 4139 ILE Chi-restraints excluded: chain B residue 4145 VAL Chi-restraints excluded: chain B residue 4154 VAL Chi-restraints excluded: chain B residue 4159 ARG Chi-restraints excluded: chain B residue 4170 ILE Chi-restraints excluded: chain B residue 4172 GLU Chi-restraints excluded: chain B residue 4178 LEU Chi-restraints excluded: chain B residue 4184 MET Chi-restraints excluded: chain B residue 4196 GLU Chi-restraints excluded: chain B residue 4200 THR Chi-restraints excluded: chain B residue 4220 ASP Chi-restraints excluded: chain B residue 4221 VAL Chi-restraints excluded: chain B residue 4232 GLU Chi-restraints excluded: chain B residue 4242 ILE Chi-restraints excluded: chain B residue 4244 GLU Chi-restraints excluded: chain B residue 4251 ILE Chi-restraints excluded: chain B residue 4546 VAL 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 4565 LEU Chi-restraints excluded: chain B residue 4568 PHE Chi-restraints excluded: chain B residue 4582 VAL Chi-restraints excluded: chain B residue 4632 LEU Chi-restraints excluded: chain B residue 4634 GLU Chi-restraints excluded: chain B residue 4645 CYS Chi-restraints excluded: chain B residue 4647 SER Chi-restraints excluded: chain B residue 4653 VAL Chi-restraints excluded: chain B residue 4662 ASN Chi-restraints excluded: chain B residue 4667 PRO Chi-restraints excluded: chain B residue 4669 VAL Chi-restraints excluded: chain B residue 4684 ASP Chi-restraints excluded: chain B residue 4688 ILE Chi-restraints excluded: chain B residue 4689 THR Chi-restraints excluded: chain B residue 4694 ASP Chi-restraints excluded: chain B residue 4696 ASP Chi-restraints excluded: chain B residue 4697 VAL Chi-restraints excluded: chain B residue 4698 LYS Chi-restraints excluded: chain B residue 4700 GLN Chi-restraints excluded: chain B residue 4704 LEU Chi-restraints excluded: chain B residue 4707 ASN Chi-restraints excluded: chain B residue 4710 SER Chi-restraints excluded: chain B residue 4713 SER Chi-restraints excluded: chain B residue 4718 LYS Chi-restraints excluded: chain B residue 4722 ARG Chi-restraints excluded: chain B residue 4737 ILE Chi-restraints excluded: chain B residue 4741 LEU Chi-restraints excluded: chain B residue 4743 MET Chi-restraints excluded: chain B residue 4745 LEU Chi-restraints excluded: chain B residue 4766 THR Chi-restraints excluded: chain B residue 4788 SER Chi-restraints excluded: chain B residue 4796 MET Chi-restraints excluded: chain B residue 4816 ILE Chi-restraints excluded: chain B residue 4818 MET Chi-restraints excluded: chain B residue 4825 THR Chi-restraints excluded: chain B residue 4836 GLN Chi-restraints excluded: chain B residue 4838 VAL Chi-restraints excluded: chain B residue 4850 LEU Chi-restraints excluded: chain B residue 4869 GLU Chi-restraints excluded: chain B residue 4870 ASP Chi-restraints excluded: chain B residue 4876 CYS Chi-restraints excluded: chain B residue 4879 MET Chi-restraints excluded: chain B residue 4880 MET Chi-restraints excluded: chain B residue 4881 THR Chi-restraints excluded: chain B residue 4901 ILE Chi-restraints excluded: chain B residue 4918 ILE Chi-restraints excluded: chain B residue 4919 THR Chi-restraints excluded: chain B residue 4948 GLU Chi-restraints excluded: chain B residue 4952 GLU Chi-restraints excluded: chain B residue 4954 MET Chi-restraints excluded: chain B residue 4956 THR Chi-restraints excluded: chain B residue 4957 LYS Chi-restraints excluded: chain B residue 4961 CYS Chi-restraints excluded: chain B residue 4965 SER Chi-restraints excluded: chain B residue 4966 ASP Chi-restraints excluded: chain B residue 4980 LEU Chi-restraints excluded: chain B residue 4992 LEU Chi-restraints excluded: chain B residue 5002 GLU Chi-restraints excluded: chain B residue 5008 SER Chi-restraints excluded: chain B residue 5023 PRO Chi-restraints excluded: chain C residue 13 PHE Chi-restraints excluded: chain C residue 18 ASP Chi-restraints excluded: chain C residue 23 GLN Chi-restraints excluded: chain C residue 24 CYS Chi-restraints excluded: chain C residue 25 SER 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 47 CYS Chi-restraints excluded: chain C residue 54 ASN Chi-restraints excluded: chain C residue 66 CYS Chi-restraints excluded: chain C residue 68 THR Chi-restraints excluded: chain C residue 75 VAL Chi-restraints excluded: chain C residue 78 LEU Chi-restraints excluded: chain C residue 81 MET Chi-restraints excluded: chain C residue 82 LEU Chi-restraints excluded: chain C residue 99 ARG Chi-restraints excluded: chain C residue 109 LEU Chi-restraints excluded: chain C residue 115 ARG Chi-restraints excluded: chain C residue 118 LEU Chi-restraints excluded: chain C residue 119 SER Chi-restraints excluded: chain C residue 120 CYS Chi-restraints excluded: chain C residue 125 ARG Chi-restraints excluded: chain C residue 128 THR Chi-restraints excluded: chain C residue 129 ASP 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 146 CYS Chi-restraints excluded: chain C residue 149 THR Chi-restraints excluded: chain C residue 156 GLN Chi-restraints excluded: chain C residue 167 ASP Chi-restraints excluded: chain C residue 169 LEU Chi-restraints excluded: chain C residue 184 THR Chi-restraints excluded: chain C residue 188 GLU Chi-restraints excluded: chain C residue 190 GLN Chi-restraints excluded: chain C residue 194 SER Chi-restraints excluded: chain C residue 197 GLN Chi-restraints excluded: chain C residue 202 MET Chi-restraints excluded: chain C residue 203 ASN Chi-restraints excluded: chain C residue 205 ILE Chi-restraints excluded: chain C residue 210 GLU Chi-restraints excluded: chain C residue 214 VAL Chi-restraints excluded: chain C residue 215 THR Chi-restraints excluded: chain C residue 218 HIS Chi-restraints excluded: chain C residue 220 LEU Chi-restraints excluded: chain C residue 232 THR Chi-restraints excluded: chain C residue 237 ASP Chi-restraints excluded: chain C residue 253 CYS Chi-restraints excluded: chain C residue 255 HIS Chi-restraints excluded: chain C residue 257 ARG Chi-restraints excluded: chain C residue 258 SER Chi-restraints excluded: chain C residue 264 PRO Chi-restraints excluded: chain C residue 265 LEU Chi-restraints excluded: chain C residue 266 ARG Chi-restraints excluded: chain C residue 268 SER Chi-restraints excluded: chain C residue 272 SER Chi-restraints excluded: chain C residue 281 ARG Chi-restraints excluded: chain C residue 286 THR Chi-restraints excluded: chain C residue 290 TYR Chi-restraints excluded: chain C residue 291 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 305 CYS Chi-restraints excluded: chain C residue 309 THR 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 317 ARG Chi-restraints excluded: chain C residue 318 VAL Chi-restraints excluded: chain C residue 319 SER Chi-restraints excluded: chain C residue 320 LYS Chi-restraints excluded: chain C residue 321 GLU Chi-restraints excluded: chain C residue 322 LYS Chi-restraints excluded: chain C residue 334 MET Chi-restraints excluded: chain C residue 339 ILE Chi-restraints excluded: chain C residue 346 CYS Chi-restraints excluded: chain C residue 348 VAL Chi-restraints excluded: chain C residue 353 SER Chi-restraints excluded: chain C residue 359 TYR Chi-restraints excluded: chain C residue 374 LYS Chi-restraints excluded: chain C residue 377 ILE Chi-restraints excluded: chain C residue 379 HIS Chi-restraints excluded: chain C residue 386 ASP Chi-restraints excluded: chain C residue 389 PHE Chi-restraints excluded: chain C residue 392 ARG Chi-restraints excluded: chain C residue 396 GLU Chi-restraints excluded: chain C residue 397 GLU Chi-restraints excluded: chain C residue 404 ILE Chi-restraints excluded: chain C residue 405 HIS Chi-restraints excluded: chain C residue 407 THR Chi-restraints excluded: chain C residue 413 GLN Chi-restraints excluded: chain C residue 420 SER Chi-restraints excluded: chain C residue 441 VAL Chi-restraints excluded: chain C residue 442 ILE Chi-restraints excluded: chain C residue 447 ASP Chi-restraints excluded: chain C residue 448 LEU Chi-restraints excluded: chain C residue 456 SER Chi-restraints excluded: chain C residue 470 SER Chi-restraints excluded: chain C residue 473 ASN Chi-restraints excluded: chain C residue 479 GLN Chi-restraints excluded: chain C residue 481 GLU Chi-restraints excluded: chain C residue 484 LEU Chi-restraints excluded: chain C residue 487 VAL Chi-restraints excluded: chain C residue 494 LEU Chi-restraints excluded: chain C residue 495 ASN Chi-restraints excluded: chain C residue 503 PHE Chi-restraints excluded: chain C residue 505 GLU Chi-restraints excluded: chain C residue 521 LEU Chi-restraints excluded: chain C residue 528 SER 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 540 PHE Chi-restraints excluded: chain C residue 545 ASP Chi-restraints excluded: chain C residue 549 SER Chi-restraints excluded: chain C residue 551 LEU Chi-restraints excluded: chain C residue 552 ASP Chi-restraints excluded: chain C residue 560 ILE Chi-restraints excluded: chain C residue 569 ILE Chi-restraints excluded: chain C residue 575 LEU Chi-restraints excluded: chain C residue 577 ILE Chi-restraints excluded: chain C residue 578 ILE Chi-restraints excluded: chain C residue 580 GLU Chi-restraints excluded: chain C residue 587 ILE Chi-restraints excluded: chain C residue 590 LEU Chi-restraints excluded: chain C residue 605 SER Chi-restraints excluded: chain C residue 612 VAL Chi-restraints excluded: chain C residue 621 ILE Chi-restraints excluded: chain C residue 625 LEU Chi-restraints excluded: chain C residue 629 ARG Chi-restraints excluded: chain C residue 637 LEU Chi-restraints excluded: chain C residue 652 ARG Chi-restraints excluded: chain C residue 657 THR Chi-restraints excluded: chain C residue 663 TYR Chi-restraints excluded: chain C residue 666 VAL Chi-restraints excluded: chain C residue 667 MET Chi-restraints excluded: chain C residue 668 VAL Chi-restraints excluded: chain C residue 675 LEU 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 707 VAL Chi-restraints excluded: chain C residue 709 ASP Chi-restraints excluded: chain C residue 710 ASP Chi-restraints excluded: chain C residue 723 THR Chi-restraints excluded: chain C residue 736 HIS Chi-restraints excluded: chain C residue 751 SER Chi-restraints excluded: chain C residue 752 VAL Chi-restraints excluded: chain C residue 755 ILE Chi-restraints excluded: chain C residue 756 SER Chi-restraints excluded: chain C residue 758 ARG Chi-restraints excluded: chain C residue 760 ASN Chi-restraints excluded: chain C residue 768 PHE Chi-restraints excluded: chain C residue 773 LEU Chi-restraints excluded: chain C residue 778 PHE Chi-restraints excluded: chain C residue 781 VAL Chi-restraints excluded: chain C residue 788 LYS Chi-restraints excluded: chain C residue 800 PHE Chi-restraints excluded: chain C residue 801 LYS Chi-restraints excluded: chain C residue 802 PHE Chi-restraints excluded: chain C residue 803 LEU Chi-restraints excluded: chain C residue 822 ARG Chi-restraints excluded: chain C residue 823 LEU Chi-restraints excluded: chain C residue 826 ILE Chi-restraints excluded: chain C residue 831 ARG Chi-restraints excluded: chain C residue 840 VAL Chi-restraints excluded: chain C residue 870 ILE Chi-restraints excluded: chain C residue 921 ASN Chi-restraints excluded: chain C residue 924 MET Chi-restraints excluded: chain C residue 925 SER Chi-restraints excluded: chain C residue 928 THR Chi-restraints excluded: chain C residue 932 LEU Chi-restraints excluded: chain C residue 933 LEU Chi-restraints excluded: chain C residue 961 MET Chi-restraints excluded: chain C residue 974 HIS Chi-restraints excluded: chain C residue 978 THR Chi-restraints excluded: chain C residue 1043 VAL Chi-restraints excluded: chain C residue 1072 VAL Chi-restraints excluded: chain C residue 1074 ILE Chi-restraints excluded: chain C residue 1085 SER Chi-restraints excluded: chain C residue 1087 ARG Chi-restraints excluded: chain C residue 1093 GLU Chi-restraints excluded: chain C residue 1095 VAL Chi-restraints excluded: chain C residue 1106 ARG Chi-restraints excluded: chain C residue 1109 LEU Chi-restraints excluded: chain C residue 1113 VAL Chi-restraints excluded: chain C residue 1123 VAL Chi-restraints excluded: chain C residue 1127 HIS Chi-restraints excluded: chain C residue 1131 ARG Chi-restraints excluded: chain C residue 1137 GLU Chi-restraints excluded: chain C residue 1141 ARG Chi-restraints excluded: chain C residue 1143 TRP Chi-restraints excluded: chain C residue 1145 SER Chi-restraints excluded: chain C residue 1147 ASP Chi-restraints excluded: chain C residue 1151 CYS Chi-restraints excluded: chain C residue 1152 MET Chi-restraints excluded: chain C residue 1153 ILE Chi-restraints excluded: chain C residue 1154 ASP Chi-restraints excluded: chain C residue 1155 LEU Chi-restraints excluded: chain C residue 1163 THR Chi-restraints excluded: chain C residue 1164 LEU Chi-restraints excluded: chain C residue 1168 VAL Chi-restraints excluded: chain C residue 1170 MET Chi-restraints excluded: chain C residue 1173 SER Chi-restraints excluded: chain C residue 1179 PHE Chi-restraints excluded: chain C residue 1182 ILE Chi-restraints excluded: chain C residue 1190 PRO Chi-restraints excluded: chain C residue 1192 CYS Chi-restraints excluded: chain C residue 1193 SER Chi-restraints excluded: chain C residue 1198 GLN Chi-restraints excluded: chain C residue 1202 LEU Chi-restraints excluded: chain C residue 1204 LEU Chi-restraints excluded: chain C residue 1208 VAL Chi-restraints excluded: chain C residue 1216 ILE Chi-restraints excluded: chain C residue 1219 LEU Chi-restraints excluded: chain C residue 1221 GLU Chi-restraints excluded: chain C residue 1234 VAL Chi-restraints excluded: chain C residue 1238 PHE Chi-restraints excluded: chain C residue 1241 SER 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 1259 ARG Chi-restraints excluded: chain C residue 1269 CYS Chi-restraints excluded: chain C residue 1271 ARG Chi-restraints excluded: chain C residue 1272 LEU Chi-restraints excluded: chain C residue 1282 SER Chi-restraints excluded: chain C residue 1283 LEU Chi-restraints excluded: chain C residue 1287 LEU Chi-restraints excluded: chain C residue 1431 THR Chi-restraints excluded: chain C residue 1437 VAL Chi-restraints excluded: chain C residue 1439 VAL Chi-restraints excluded: chain C residue 1444 GLU Chi-restraints excluded: chain C residue 1457 TYR Chi-restraints excluded: chain C residue 1460 HIS Chi-restraints excluded: chain C residue 1462 MET Chi-restraints excluded: chain C residue 1466 LEU Chi-restraints excluded: chain C residue 1467 SER Chi-restraints excluded: chain C residue 1468 LYS Chi-restraints excluded: chain C residue 1469 VAL Chi-restraints excluded: chain C residue 1472 VAL Chi-restraints excluded: chain C residue 1485 SER Chi-restraints excluded: chain C residue 1486 SER Chi-restraints excluded: chain C residue 1576 SER Chi-restraints excluded: chain C residue 1580 PHE Chi-restraints excluded: chain C residue 1595 LEU Chi-restraints excluded: chain C residue 1597 VAL Chi-restraints excluded: chain C residue 1599 MET Chi-restraints excluded: chain C residue 1600 LEU Chi-restraints excluded: chain C residue 1603 VAL Chi-restraints excluded: chain C residue 1607 ARG Chi-restraints excluded: chain C residue 1610 ASN Chi-restraints excluded: chain C residue 1632 ASP Chi-restraints excluded: chain C residue 1634 LEU Chi-restraints excluded: chain C residue 1641 ILE Chi-restraints excluded: chain C residue 1642 PRO Chi-restraints excluded: chain C residue 1647 CYS Chi-restraints excluded: chain C residue 1657 LEU Chi-restraints excluded: chain C residue 1666 THR Chi-restraints excluded: chain C residue 1668 ARG Chi-restraints excluded: chain C residue 1671 ARG 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 1685 LEU Chi-restraints excluded: chain C residue 1687 SER Chi-restraints excluded: chain C residue 1689 VAL Chi-restraints excluded: chain C residue 1698 LEU Chi-restraints excluded: chain C residue 1699 GLU Chi-restraints excluded: chain C residue 1700 ASP Chi-restraints excluded: chain C residue 1704 PRO Chi-restraints excluded: chain C residue 1706 PRO Chi-restraints excluded: chain C residue 1717 SER Chi-restraints excluded: chain C residue 1720 LEU Chi-restraints excluded: chain C residue 1733 GLU Chi-restraints excluded: chain C residue 1736 VAL Chi-restraints excluded: chain C residue 1738 LEU Chi-restraints excluded: chain C residue 1739 THR Chi-restraints excluded: chain C residue 1760 HIS Chi-restraints excluded: chain C residue 1770 SER Chi-restraints excluded: chain C residue 1771 LEU 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 1802 ILE Chi-restraints excluded: chain C residue 1812 LEU Chi-restraints excluded: chain C residue 1815 LEU Chi-restraints excluded: chain C residue 1830 VAL Chi-restraints excluded: chain C residue 1834 VAL Chi-restraints excluded: chain C residue 1835 GLU Chi-restraints excluded: chain C residue 1837 GLN Chi-restraints excluded: chain C residue 1849 LEU Chi-restraints excluded: chain C residue 1857 GLU Chi-restraints excluded: chain C residue 1858 ASP Chi-restraints excluded: chain C residue 1869 GLU Chi-restraints excluded: chain C residue 1872 THR Chi-restraints excluded: chain C residue 1873 GLU Chi-restraints excluded: chain C residue 1929 MET Chi-restraints excluded: chain C residue 1930 LYS Chi-restraints excluded: chain C residue 1934 SER Chi-restraints excluded: chain C residue 1955 VAL Chi-restraints excluded: chain C residue 1961 PHE Chi-restraints excluded: chain C residue 1966 VAL Chi-restraints excluded: chain C residue 1969 LEU Chi-restraints excluded: chain C residue 1987 SER Chi-restraints excluded: chain C residue 1995 THR Chi-restraints excluded: chain C residue 2020 ASP Chi-restraints excluded: chain C residue 2037 ASP Chi-restraints excluded: chain C residue 2039 LEU Chi-restraints excluded: chain C residue 2044 ILE Chi-restraints excluded: chain C residue 2093 SER Chi-restraints excluded: chain C residue 2094 LEU Chi-restraints excluded: chain C residue 2095 GLN Chi-restraints excluded: chain C residue 2097 LEU Chi-restraints excluded: chain C residue 2098 VAL Chi-restraints excluded: chain C residue 2111 VAL Chi-restraints excluded: chain C residue 2122 SER Chi-restraints excluded: chain C residue 2136 ARG 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 2156 LEU Chi-restraints excluded: chain C residue 2161 GLN Chi-restraints excluded: chain C residue 2166 LEU Chi-restraints excluded: chain C residue 2167 ILE Chi-restraints excluded: chain C residue 2169 GLN Chi-restraints excluded: chain C residue 2170 MET Chi-restraints excluded: chain C residue 2175 GLU Chi-restraints excluded: chain C residue 2186 MET Chi-restraints excluded: chain C residue 2187 ASN Chi-restraints excluded: chain C residue 2197 LEU Chi-restraints excluded: chain C residue 2199 ARG Chi-restraints excluded: chain C residue 2221 LYS Chi-restraints excluded: chain C residue 2225 PHE Chi-restraints excluded: chain C residue 2227 LYS Chi-restraints excluded: chain C residue 2228 MET Chi-restraints excluded: chain C residue 2229 VAL Chi-restraints excluded: chain C residue 2230 THR Chi-restraints excluded: chain C residue 2231 SER Chi-restraints excluded: chain C residue 2238 TYR Chi-restraints excluded: chain C residue 2241 ARG Chi-restraints excluded: chain C residue 2242 ILE Chi-restraints excluded: chain C residue 2244 ARG Chi-restraints excluded: chain C residue 2245 GLN Chi-restraints excluded: chain C residue 2248 ARG Chi-restraints excluded: chain C residue 2270 SER Chi-restraints excluded: chain C residue 2274 ASP Chi-restraints excluded: chain C residue 2275 VAL Chi-restraints excluded: chain C residue 2280 VAL Chi-restraints excluded: chain C residue 2281 ILE Chi-restraints excluded: chain C residue 2290 LEU Chi-restraints excluded: chain C residue 2293 GLN Chi-restraints excluded: chain C residue 2294 ASP Chi-restraints excluded: chain C residue 2295 LEU Chi-restraints excluded: chain C residue 2296 GLU Chi-restraints excluded: chain C residue 2299 VAL Chi-restraints excluded: chain C residue 2300 SER Chi-restraints excluded: chain C residue 2312 MET Chi-restraints excluded: chain C residue 2316 LYS Chi-restraints excluded: chain C residue 2324 ASN Chi-restraints excluded: chain C residue 2330 ARG Chi-restraints excluded: chain C residue 2333 ASP Chi-restraints excluded: chain C residue 2336 ARG Chi-restraints excluded: chain C residue 2341 VAL Chi-restraints excluded: chain C residue 2345 SER Chi-restraints excluded: chain C residue 2346 VAL Chi-restraints excluded: chain C residue 2352 VAL Chi-restraints excluded: chain C residue 2353 VAL Chi-restraints excluded: chain C residue 2359 ARG Chi-restraints excluded: chain C residue 2368 LEU Chi-restraints excluded: chain C residue 2377 LEU Chi-restraints excluded: chain C residue 2387 SER Chi-restraints excluded: chain C residue 2416 VAL Chi-restraints excluded: chain C residue 2423 MET Chi-restraints excluded: chain C residue 2430 ILE Chi-restraints excluded: chain C residue 2442 LEU Chi-restraints excluded: chain C residue 2454 ARG Chi-restraints excluded: chain C residue 2460 LEU Chi-restraints excluded: chain C residue 2461 VAL Chi-restraints excluded: chain C residue 2474 LEU Chi-restraints excluded: chain C residue 2479 LEU Chi-restraints excluded: chain C residue 3646 THR Chi-restraints excluded: chain C residue 3652 MET Chi-restraints excluded: chain C residue 3656 SER Chi-restraints excluded: chain C residue 3661 TRP Chi-restraints excluded: chain C residue 3662 ILE Chi-restraints excluded: chain C residue 3669 PHE Chi-restraints excluded: chain C residue 3670 GLU Chi-restraints excluded: chain C residue 3678 SER Chi-restraints excluded: chain C residue 3694 LYS Chi-restraints excluded: chain C residue 3696 ASP Chi-restraints excluded: chain C residue 3707 ARG Chi-restraints excluded: chain C residue 3711 THR Chi-restraints excluded: chain C residue 3719 ASP Chi-restraints excluded: chain C residue 3732 SER Chi-restraints excluded: chain C residue 3733 CYS Chi-restraints excluded: chain C residue 3752 SER Chi-restraints excluded: chain C residue 3754 GLU Chi-restraints excluded: chain C residue 3764 LEU Chi-restraints excluded: chain C residue 3772 THR Chi-restraints excluded: chain C residue 3779 VAL Chi-restraints excluded: chain C residue 3793 MET Chi-restraints excluded: chain C residue 3795 SER Chi-restraints excluded: chain C residue 3803 SER Chi-restraints excluded: chain C residue 3822 ASP Chi-restraints excluded: chain C residue 3826 VAL Chi-restraints excluded: chain C residue 3837 GLN Chi-restraints excluded: chain C residue 3850 GLN Chi-restraints excluded: chain C residue 3852 LYS Chi-restraints excluded: chain C residue 3873 LYS Chi-restraints excluded: chain C residue 3893 GLU Chi-restraints excluded: chain C residue 3904 ARG Chi-restraints excluded: chain C residue 3905 THR Chi-restraints excluded: chain C residue 3907 THR Chi-restraints excluded: chain C residue 3916 ILE Chi-restraints excluded: chain C residue 3924 LEU Chi-restraints excluded: chain C residue 3929 SER Chi-restraints excluded: chain C residue 3930 ILE Chi-restraints excluded: chain C residue 3933 PHE Chi-restraints excluded: chain C residue 3938 SER Chi-restraints excluded: chain C residue 3942 VAL Chi-restraints excluded: chain C residue 3945 GLU Chi-restraints excluded: chain C residue 3952 SER Chi-restraints excluded: chain C residue 3967 GLU Chi-restraints excluded: chain C residue 3969 ILE Chi-restraints excluded: chain C residue 3970 GLN Chi-restraints excluded: chain C residue 3995 VAL Chi-restraints excluded: chain C residue 4005 GLN Chi-restraints excluded: chain C residue 4007 SER Chi-restraints excluded: chain C residue 4008 SER Chi-restraints excluded: chain C residue 4014 LYS Chi-restraints excluded: chain C residue 4018 ASP 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 4048 LEU Chi-restraints excluded: chain C residue 4049 VAL Chi-restraints excluded: chain C residue 4051 SER Chi-restraints excluded: chain C residue 4052 SER Chi-restraints excluded: chain C residue 4053 SER Chi-restraints excluded: chain C residue 4055 VAL Chi-restraints excluded: chain C residue 4064 MET Chi-restraints excluded: chain C residue 4067 LYS Chi-restraints excluded: chain C residue 4072 VAL Chi-restraints excluded: chain C residue 4075 GLU Chi-restraints excluded: chain C residue 4082 THR Chi-restraints excluded: chain C residue 4083 ASP Chi-restraints excluded: chain C residue 4088 ILE Chi-restraints excluded: chain C residue 4098 ASP Chi-restraints excluded: chain C residue 4100 GLN Chi-restraints excluded: chain C residue 4106 PRO Chi-restraints excluded: chain C residue 4107 GLU Chi-restraints excluded: chain C residue 4109 GLN Chi-restraints excluded: chain C residue 4110 PHE Chi-restraints excluded: chain C residue 4113 SER Chi-restraints excluded: chain C residue 4120 ASN Chi-restraints excluded: chain C residue 4123 ILE Chi-restraints excluded: chain C residue 4125 PHE Chi-restraints excluded: chain C residue 4127 GLU Chi-restraints excluded: chain C residue 4135 PRO Chi-restraints excluded: chain C residue 4139 ILE Chi-restraints excluded: chain C residue 4145 VAL Chi-restraints excluded: chain C residue 4154 VAL Chi-restraints excluded: chain C residue 4159 ARG Chi-restraints excluded: chain C residue 4170 ILE Chi-restraints excluded: chain C residue 4172 GLU Chi-restraints excluded: chain C residue 4176 PRO 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 4184 MET Chi-restraints excluded: chain C residue 4196 GLU Chi-restraints excluded: chain C residue 4200 THR Chi-restraints excluded: chain C residue 4202 ARG Chi-restraints excluded: chain C residue 4220 ASP Chi-restraints excluded: chain C residue 4221 VAL Chi-restraints excluded: chain C residue 4232 GLU Chi-restraints excluded: chain C residue 4242 ILE Chi-restraints excluded: chain C residue 4244 GLU Chi-restraints excluded: chain C residue 4251 ILE Chi-restraints excluded: chain C residue 4546 VAL 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 4565 LEU Chi-restraints excluded: chain C residue 4582 VAL Chi-restraints excluded: chain C residue 4632 LEU Chi-restraints excluded: chain C residue 4634 GLU Chi-restraints excluded: chain C residue 4645 CYS Chi-restraints excluded: chain C residue 4647 SER Chi-restraints excluded: chain C residue 4653 VAL Chi-restraints excluded: chain C residue 4662 ASN Chi-restraints excluded: chain C residue 4667 PRO Chi-restraints excluded: chain C residue 4669 VAL Chi-restraints excluded: chain C residue 4684 ASP Chi-restraints excluded: chain C residue 4688 ILE Chi-restraints excluded: chain C residue 4689 THR Chi-restraints excluded: chain C residue 4690 GLU Chi-restraints excluded: chain C residue 4694 ASP Chi-restraints excluded: chain C residue 4695 ASP Chi-restraints excluded: chain C residue 4698 LYS Chi-restraints excluded: chain C residue 4704 LEU Chi-restraints excluded: chain C residue 4707 ASN Chi-restraints excluded: chain C residue 4710 SER Chi-restraints excluded: chain C residue 4713 SER Chi-restraints excluded: chain C residue 4718 LYS Chi-restraints excluded: chain C residue 4722 ARG Chi-restraints excluded: chain C residue 4737 ILE Chi-restraints excluded: chain C residue 4741 LEU Chi-restraints excluded: chain C residue 4743 MET Chi-restraints excluded: chain C residue 4745 LEU Chi-restraints excluded: chain C residue 4766 THR Chi-restraints excluded: chain C residue 4788 SER Chi-restraints excluded: chain C residue 4816 ILE Chi-restraints excluded: chain C residue 4818 MET Chi-restraints excluded: chain C residue 4825 THR Chi-restraints excluded: chain C residue 4836 GLN Chi-restraints excluded: chain C residue 4838 VAL Chi-restraints excluded: chain C residue 4850 LEU Chi-restraints excluded: chain C residue 4869 GLU Chi-restraints excluded: chain C residue 4870 ASP Chi-restraints excluded: chain C residue 4876 CYS Chi-restraints excluded: chain C residue 4879 MET Chi-restraints excluded: chain C residue 4880 MET Chi-restraints excluded: chain C residue 4881 THR Chi-restraints excluded: chain C residue 4901 ILE Chi-restraints excluded: chain C residue 4918 ILE Chi-restraints excluded: chain C residue 4919 THR Chi-restraints excluded: chain C residue 4942 GLU Chi-restraints excluded: chain C residue 4948 GLU Chi-restraints excluded: chain C residue 4952 GLU Chi-restraints excluded: chain C residue 4954 MET Chi-restraints excluded: chain C residue 4956 THR Chi-restraints excluded: chain C residue 4957 LYS Chi-restraints excluded: chain C residue 4961 CYS Chi-restraints excluded: chain C residue 4965 SER Chi-restraints excluded: chain C residue 4966 ASP Chi-restraints excluded: chain C residue 4980 LEU Chi-restraints excluded: chain C residue 4992 LEU Chi-restraints excluded: chain C residue 5002 GLU Chi-restraints excluded: chain C residue 5008 SER Chi-restraints excluded: chain C residue 5023 PRO Chi-restraints excluded: chain D residue 13 PHE Chi-restraints excluded: chain D residue 18 ASP Chi-restraints excluded: chain D residue 24 CYS Chi-restraints excluded: chain D residue 25 SER Chi-restraints excluded: chain D residue 35 LEU Chi-restraints excluded: chain D residue 47 CYS Chi-restraints excluded: chain D residue 54 ASN Chi-restraints excluded: chain D residue 58 VAL Chi-restraints excluded: chain D residue 66 CYS Chi-restraints excluded: chain D residue 68 THR Chi-restraints excluded: chain D residue 75 VAL Chi-restraints excluded: chain D residue 78 LEU Chi-restraints excluded: chain D residue 81 MET Chi-restraints excluded: chain D residue 82 LEU Chi-restraints excluded: chain D residue 99 ARG Chi-restraints excluded: chain D residue 109 LEU Chi-restraints excluded: chain D residue 115 ARG Chi-restraints excluded: chain D residue 118 LEU Chi-restraints excluded: chain D residue 119 SER Chi-restraints excluded: chain D residue 120 CYS Chi-restraints excluded: chain D residue 125 ARG Chi-restraints excluded: chain D residue 128 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 146 CYS Chi-restraints excluded: chain D residue 149 THR Chi-restraints excluded: chain D residue 156 GLN Chi-restraints excluded: chain D residue 167 ASP Chi-restraints excluded: chain D residue 169 LEU Chi-restraints excluded: chain D residue 184 THR Chi-restraints excluded: chain D residue 188 GLU Chi-restraints excluded: chain D residue 189 LEU Chi-restraints excluded: chain D residue 190 GLN Chi-restraints excluded: chain D residue 194 SER Chi-restraints excluded: chain D residue 197 GLN Chi-restraints excluded: chain D residue 202 MET Chi-restraints excluded: chain D residue 203 ASN Chi-restraints excluded: chain D residue 205 ILE Chi-restraints excluded: chain D residue 210 GLU Chi-restraints excluded: chain D residue 214 VAL Chi-restraints excluded: chain D residue 215 THR Chi-restraints excluded: chain D residue 218 HIS Chi-restraints excluded: chain D residue 220 LEU Chi-restraints excluded: chain D residue 232 THR Chi-restraints excluded: chain D residue 237 ASP Chi-restraints excluded: chain D residue 253 CYS Chi-restraints excluded: chain D residue 255 HIS Chi-restraints excluded: chain D residue 257 ARG Chi-restraints excluded: chain D residue 258 SER Chi-restraints excluded: chain D residue 264 PRO Chi-restraints excluded: chain D residue 265 LEU Chi-restraints excluded: chain D residue 266 ARG Chi-restraints excluded: chain D residue 268 SER Chi-restraints excluded: chain D residue 272 SER Chi-restraints excluded: chain D residue 281 ARG Chi-restraints excluded: chain D residue 286 THR Chi-restraints excluded: chain D residue 290 TYR Chi-restraints excluded: chain D residue 291 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 305 CYS Chi-restraints excluded: chain D residue 309 THR Chi-restraints excluded: chain D residue 315 CYS Chi-restraints excluded: chain D residue 317 ARG Chi-restraints excluded: chain D residue 318 VAL Chi-restraints excluded: chain D residue 319 SER Chi-restraints excluded: chain D residue 321 GLU Chi-restraints excluded: chain D residue 334 MET Chi-restraints excluded: chain D residue 339 ILE Chi-restraints excluded: chain D residue 346 CYS Chi-restraints excluded: chain D residue 348 VAL Chi-restraints excluded: chain D residue 353 SER Chi-restraints excluded: chain D residue 358 THR Chi-restraints excluded: chain D residue 359 TYR Chi-restraints excluded: chain D residue 377 ILE Chi-restraints excluded: chain D residue 384 MET Chi-restraints excluded: chain D residue 386 ASP Chi-restraints excluded: chain D residue 389 PHE Chi-restraints excluded: chain D residue 392 ARG Chi-restraints excluded: chain D residue 396 GLU Chi-restraints excluded: chain D residue 397 GLU Chi-restraints excluded: chain D residue 404 ILE Chi-restraints excluded: chain D residue 405 HIS Chi-restraints excluded: chain D residue 407 THR Chi-restraints excluded: chain D residue 413 GLN Chi-restraints excluded: chain D residue 420 SER Chi-restraints excluded: chain D residue 441 VAL Chi-restraints excluded: chain D residue 442 ILE Chi-restraints excluded: chain D residue 447 ASP Chi-restraints excluded: chain D residue 448 LEU Chi-restraints excluded: chain D residue 456 SER Chi-restraints excluded: chain D residue 470 SER Chi-restraints excluded: chain D residue 473 ASN Chi-restraints excluded: chain D residue 479 GLN Chi-restraints excluded: chain D residue 481 GLU Chi-restraints excluded: chain D residue 487 VAL Chi-restraints excluded: chain D residue 494 LEU Chi-restraints excluded: chain D residue 495 ASN Chi-restraints excluded: chain D residue 505 GLU Chi-restraints excluded: chain D residue 510 GLU Chi-restraints excluded: chain D residue 521 LEU Chi-restraints excluded: chain D residue 528 SER 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 540 PHE Chi-restraints excluded: chain D residue 545 ASP Chi-restraints excluded: chain D residue 549 SER Chi-restraints excluded: chain D residue 554 LEU Chi-restraints excluded: chain D residue 560 ILE Chi-restraints excluded: chain D residue 569 ILE Chi-restraints excluded: chain D residue 575 LEU Chi-restraints excluded: chain D residue 577 ILE Chi-restraints excluded: chain D residue 578 ILE Chi-restraints excluded: chain D residue 580 GLU Chi-restraints excluded: chain D residue 587 ILE Chi-restraints excluded: chain D residue 605 SER Chi-restraints excluded: chain D residue 612 VAL Chi-restraints excluded: chain D residue 621 ILE Chi-restraints excluded: chain D residue 625 LEU Chi-restraints excluded: chain D residue 629 ARG Chi-restraints excluded: chain D residue 637 LEU Chi-restraints excluded: chain D residue 645 ARG Chi-restraints excluded: chain D residue 652 ARG Chi-restraints excluded: chain D residue 657 THR Chi-restraints excluded: chain D residue 666 VAL Chi-restraints excluded: chain D residue 667 MET Chi-restraints excluded: chain D residue 668 VAL Chi-restraints excluded: chain D residue 672 VAL Chi-restraints excluded: chain D residue 675 LEU 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 707 VAL Chi-restraints excluded: chain D residue 709 ASP Chi-restraints excluded: chain D residue 710 ASP Chi-restraints excluded: chain D residue 723 THR Chi-restraints excluded: chain D residue 751 SER Chi-restraints excluded: chain D residue 755 ILE 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 768 PHE Chi-restraints excluded: chain D residue 773 LEU Chi-restraints excluded: chain D residue 778 PHE Chi-restraints excluded: chain D residue 781 VAL Chi-restraints excluded: chain D residue 788 LYS Chi-restraints excluded: chain D residue 800 PHE Chi-restraints excluded: chain D residue 801 LYS Chi-restraints excluded: chain D residue 803 LEU Chi-restraints excluded: chain D residue 821 LEU Chi-restraints excluded: chain D residue 822 ARG Chi-restraints excluded: chain D residue 826 ILE Chi-restraints excluded: chain D residue 831 ARG Chi-restraints excluded: chain D residue 840 VAL Chi-restraints excluded: chain D residue 870 ILE Chi-restraints excluded: chain D residue 917 GLU Chi-restraints excluded: chain D residue 921 ASN Chi-restraints excluded: chain D residue 924 MET Chi-restraints excluded: chain D residue 925 SER Chi-restraints excluded: chain D residue 932 LEU Chi-restraints excluded: chain D residue 961 MET Chi-restraints excluded: chain D residue 978 THR Chi-restraints excluded: chain D residue 1043 VAL Chi-restraints excluded: chain D residue 1072 VAL Chi-restraints excluded: chain D residue 1074 ILE Chi-restraints excluded: chain D residue 1085 SER Chi-restraints excluded: chain D residue 1087 ARG Chi-restraints excluded: chain D residue 1093 GLU Chi-restraints excluded: chain D residue 1095 VAL Chi-restraints excluded: chain D residue 1106 ARG Chi-restraints excluded: chain D residue 1113 VAL Chi-restraints excluded: chain D residue 1123 VAL Chi-restraints excluded: chain D residue 1127 HIS Chi-restraints excluded: chain D residue 1131 ARG Chi-restraints excluded: chain D residue 1137 GLU Chi-restraints excluded: chain D residue 1139 PHE Chi-restraints excluded: chain D residue 1143 TRP Chi-restraints excluded: chain D residue 1145 SER Chi-restraints excluded: chain D residue 1147 ASP Chi-restraints excluded: chain D residue 1151 CYS Chi-restraints excluded: chain D residue 1152 MET Chi-restraints excluded: chain D residue 1153 ILE Chi-restraints excluded: chain D residue 1154 ASP Chi-restraints excluded: chain D residue 1155 LEU Chi-restraints excluded: chain D residue 1163 THR Chi-restraints excluded: chain D residue 1164 LEU Chi-restraints excluded: chain D residue 1168 VAL Chi-restraints excluded: chain D residue 1169 LEU Chi-restraints excluded: chain D residue 1173 SER Chi-restraints excluded: chain D residue 1179 PHE Chi-restraints excluded: chain D residue 1182 ILE Chi-restraints excluded: chain D residue 1190 PRO Chi-restraints excluded: chain D residue 1192 CYS Chi-restraints excluded: chain D residue 1193 SER Chi-restraints excluded: chain D residue 1198 GLN Chi-restraints excluded: chain D residue 1202 LEU Chi-restraints excluded: chain D residue 1204 LEU Chi-restraints excluded: chain D residue 1208 VAL Chi-restraints excluded: chain D residue 1219 LEU Chi-restraints excluded: chain D residue 1234 VAL Chi-restraints excluded: chain D residue 1238 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 1259 ARG Chi-restraints excluded: chain D residue 1260 MET Chi-restraints excluded: chain D residue 1269 CYS Chi-restraints excluded: chain D residue 1271 ARG Chi-restraints excluded: chain D residue 1272 LEU Chi-restraints excluded: chain D residue 1282 SER Chi-restraints excluded: chain D residue 1283 LEU Chi-restraints excluded: chain D residue 1287 LEU Chi-restraints excluded: chain D residue 1431 THR Chi-restraints excluded: chain D residue 1437 VAL Chi-restraints excluded: chain D residue 1439 VAL Chi-restraints excluded: chain D residue 1457 TYR Chi-restraints excluded: chain D residue 1460 HIS Chi-restraints excluded: chain D residue 1466 LEU Chi-restraints excluded: chain D residue 1467 SER Chi-restraints excluded: chain D residue 1468 LYS Chi-restraints excluded: chain D residue 1469 VAL Chi-restraints excluded: chain D residue 1472 VAL Chi-restraints excluded: chain D residue 1483 VAL Chi-restraints excluded: chain D residue 1485 SER Chi-restraints excluded: chain D residue 1486 SER Chi-restraints excluded: chain D residue 1576 SER Chi-restraints excluded: chain D residue 1580 PHE Chi-restraints excluded: chain D residue 1595 LEU Chi-restraints excluded: chain D residue 1597 VAL Chi-restraints excluded: chain D residue 1599 MET Chi-restraints excluded: chain D residue 1600 LEU Chi-restraints excluded: chain D residue 1603 VAL Chi-restraints excluded: chain D residue 1607 ARG Chi-restraints excluded: chain D residue 1610 ASN Chi-restraints excluded: chain D residue 1634 LEU Chi-restraints excluded: chain D residue 1641 ILE Chi-restraints excluded: chain D residue 1642 PRO Chi-restraints excluded: chain D residue 1647 CYS Chi-restraints excluded: chain D residue 1657 LEU Chi-restraints excluded: chain D residue 1666 THR Chi-restraints excluded: chain D residue 1671 ARG Chi-restraints excluded: chain D residue 1673 VAL Chi-restraints excluded: chain D residue 1674 CYS Chi-restraints excluded: chain D residue 1679 ASN Chi-restraints excluded: chain D residue 1685 LEU Chi-restraints excluded: chain D residue 1687 SER Chi-restraints excluded: chain D residue 1689 VAL Chi-restraints excluded: chain D residue 1698 LEU Chi-restraints excluded: chain D residue 1699 GLU Chi-restraints excluded: chain D residue 1700 ASP Chi-restraints excluded: chain D residue 1704 PRO Chi-restraints excluded: chain D residue 1706 PRO Chi-restraints excluded: chain D residue 1717 SER Chi-restraints excluded: chain D residue 1720 LEU Chi-restraints excluded: chain D residue 1733 GLU Chi-restraints excluded: chain D residue 1736 VAL Chi-restraints excluded: chain D residue 1738 LEU Chi-restraints excluded: chain D residue 1739 THR Chi-restraints excluded: chain D residue 1760 HIS Chi-restraints excluded: chain D residue 1770 SER Chi-restraints excluded: chain D residue 1771 LEU Chi-restraints excluded: chain D residue 1772 ARG Chi-restraints excluded: chain D residue 1778 SER Chi-restraints excluded: chain D residue 1802 ILE Chi-restraints excluded: chain D residue 1812 LEU Chi-restraints excluded: chain D residue 1815 LEU Chi-restraints excluded: chain D residue 1830 VAL Chi-restraints excluded: chain D residue 1834 VAL Chi-restraints excluded: chain D residue 1849 LEU Chi-restraints excluded: chain D residue 1857 GLU Chi-restraints excluded: chain D residue 1858 ASP Chi-restraints excluded: chain D residue 1869 GLU Chi-restraints excluded: chain D residue 1872 THR Chi-restraints excluded: chain D residue 1873 GLU Chi-restraints excluded: chain D residue 1929 MET Chi-restraints excluded: chain D residue 1930 LYS Chi-restraints excluded: chain D residue 1934 SER Chi-restraints excluded: chain D residue 1955 VAL Chi-restraints excluded: chain D residue 1961 PHE Chi-restraints excluded: chain D residue 1966 VAL Chi-restraints excluded: chain D residue 1969 LEU Chi-restraints excluded: chain D residue 1993 ARG Chi-restraints excluded: chain D residue 1996 ARG Chi-restraints excluded: chain D residue 2020 ASP Chi-restraints excluded: chain D residue 2027 ILE Chi-restraints excluded: chain D residue 2037 ASP Chi-restraints excluded: chain D residue 2039 LEU Chi-restraints excluded: chain D residue 2046 LEU Chi-restraints excluded: chain D residue 2093 SER Chi-restraints excluded: chain D residue 2094 LEU Chi-restraints excluded: chain D residue 2095 GLN Chi-restraints excluded: chain D residue 2097 LEU Chi-restraints excluded: chain D residue 2098 VAL Chi-restraints excluded: chain D residue 2110 TYR Chi-restraints excluded: chain D residue 2111 VAL Chi-restraints excluded: chain D residue 2122 SER Chi-restraints excluded: chain D residue 2136 ARG 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 2156 LEU Chi-restraints excluded: chain D residue 2161 GLN Chi-restraints excluded: chain D residue 2166 LEU Chi-restraints excluded: chain D residue 2167 ILE Chi-restraints excluded: chain D residue 2169 GLN Chi-restraints excluded: chain D residue 2170 MET Chi-restraints excluded: chain D residue 2173 GLN Chi-restraints excluded: chain D residue 2175 GLU Chi-restraints excluded: chain D residue 2186 MET Chi-restraints excluded: chain D residue 2187 ASN Chi-restraints excluded: chain D residue 2197 LEU Chi-restraints excluded: chain D residue 2199 ARG Chi-restraints excluded: chain D residue 2221 LYS Chi-restraints excluded: chain D residue 2225 PHE Chi-restraints excluded: chain D residue 2227 LYS Chi-restraints excluded: chain D residue 2228 MET Chi-restraints excluded: chain D residue 2229 VAL Chi-restraints excluded: chain D residue 2230 THR Chi-restraints excluded: chain D residue 2231 SER Chi-restraints excluded: chain D residue 2238 TYR Chi-restraints excluded: chain D residue 2241 ARG Chi-restraints excluded: chain D residue 2242 ILE Chi-restraints excluded: chain D residue 2244 ARG Chi-restraints excluded: chain D residue 2245 GLN Chi-restraints excluded: chain D residue 2248 ARG Chi-restraints excluded: chain D residue 2270 SER Chi-restraints excluded: chain D residue 2274 ASP Chi-restraints excluded: chain D residue 2275 VAL Chi-restraints excluded: chain D residue 2280 VAL Chi-restraints excluded: chain D residue 2281 ILE Chi-restraints excluded: chain D residue 2290 LEU Chi-restraints excluded: chain D residue 2293 GLN Chi-restraints excluded: chain D residue 2294 ASP Chi-restraints excluded: chain D residue 2295 LEU Chi-restraints excluded: chain D residue 2296 GLU Chi-restraints excluded: chain D residue 2299 VAL Chi-restraints excluded: chain D residue 2300 SER Chi-restraints excluded: chain D residue 2312 MET Chi-restraints excluded: chain D residue 2324 ASN Chi-restraints excluded: chain D residue 2330 ARG Chi-restraints excluded: chain D residue 2333 ASP Chi-restraints excluded: chain D residue 2336 ARG Chi-restraints excluded: chain D residue 2341 VAL Chi-restraints excluded: chain D residue 2345 SER Chi-restraints excluded: chain D residue 2346 VAL Chi-restraints excluded: chain D residue 2352 VAL Chi-restraints excluded: chain D residue 2353 VAL Chi-restraints excluded: chain D residue 2368 LEU Chi-restraints excluded: chain D residue 2377 LEU Chi-restraints excluded: chain D residue 2387 SER Chi-restraints excluded: chain D residue 2416 VAL Chi-restraints excluded: chain D residue 2423 MET Chi-restraints excluded: chain D residue 2430 ILE Chi-restraints excluded: chain D residue 2442 LEU Chi-restraints excluded: chain D residue 2454 ARG Chi-restraints excluded: chain D residue 2458 ARG Chi-restraints excluded: chain D residue 2460 LEU Chi-restraints excluded: chain D residue 2461 VAL Chi-restraints excluded: chain D residue 2479 LEU Chi-restraints excluded: chain D residue 3644 LEU Chi-restraints excluded: chain D residue 3652 MET Chi-restraints excluded: chain D residue 3656 SER Chi-restraints excluded: chain D residue 3661 TRP Chi-restraints excluded: chain D residue 3662 ILE Chi-restraints excluded: chain D residue 3663 LEU Chi-restraints excluded: chain D residue 3669 PHE Chi-restraints excluded: chain D residue 3670 GLU Chi-restraints excluded: chain D residue 3678 SER Chi-restraints excluded: chain D residue 3694 LYS Chi-restraints excluded: chain D residue 3696 ASP Chi-restraints excluded: chain D residue 3707 ARG Chi-restraints excluded: chain D residue 3711 THR Chi-restraints excluded: chain D residue 3719 ASP Chi-restraints excluded: chain D residue 3732 SER Chi-restraints excluded: chain D residue 3733 CYS Chi-restraints excluded: chain D residue 3752 SER Chi-restraints excluded: chain D residue 3754 GLU Chi-restraints excluded: chain D residue 3764 LEU Chi-restraints excluded: chain D residue 3772 THR Chi-restraints excluded: chain D residue 3779 VAL Chi-restraints excluded: chain D residue 3787 LYS Chi-restraints excluded: chain D residue 3793 MET Chi-restraints excluded: chain D residue 3795 SER Chi-restraints excluded: chain D residue 3803 SER Chi-restraints excluded: chain D residue 3822 ASP Chi-restraints excluded: chain D residue 3826 VAL Chi-restraints excluded: chain D residue 3837 GLN Chi-restraints excluded: chain D residue 3841 VAL Chi-restraints excluded: chain D residue 3850 GLN Chi-restraints excluded: chain D residue 3852 LYS Chi-restraints excluded: chain D residue 3867 ASN Chi-restraints excluded: chain D residue 3869 GLN Chi-restraints excluded: chain D residue 3870 ASN Chi-restraints excluded: chain D residue 3873 LYS Chi-restraints excluded: chain D residue 3874 VAL Chi-restraints excluded: chain D residue 3881 THR Chi-restraints excluded: chain D residue 3893 GLU Chi-restraints excluded: chain D residue 3904 ARG Chi-restraints excluded: chain D residue 3905 THR Chi-restraints excluded: chain D residue 3907 THR Chi-restraints excluded: chain D residue 3916 ILE Chi-restraints excluded: chain D residue 3924 LEU Chi-restraints excluded: chain D residue 3929 SER Chi-restraints excluded: chain D residue 3930 ILE Chi-restraints excluded: chain D residue 3933 PHE Chi-restraints excluded: chain D residue 3938 SER Chi-restraints excluded: chain D residue 3942 VAL Chi-restraints excluded: chain D residue 3945 GLU Chi-restraints excluded: chain D residue 3952 SER Chi-restraints excluded: chain D residue 3967 GLU Chi-restraints excluded: chain D residue 3969 ILE Chi-restraints excluded: chain D residue 3970 GLN Chi-restraints excluded: chain D residue 3995 VAL Chi-restraints excluded: chain D residue 4005 GLN Chi-restraints excluded: chain D residue 4007 SER Chi-restraints excluded: chain D residue 4008 SER Chi-restraints excluded: chain D residue 4014 LYS Chi-restraints excluded: chain D residue 4018 ASP 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 4048 LEU Chi-restraints excluded: chain D residue 4049 VAL Chi-restraints excluded: chain D residue 4051 SER Chi-restraints excluded: chain D residue 4052 SER Chi-restraints excluded: chain D residue 4053 SER Chi-restraints excluded: chain D residue 4055 VAL Chi-restraints excluded: chain D residue 4064 MET Chi-restraints excluded: chain D residue 4067 LYS Chi-restraints excluded: chain D residue 4069 LYS Chi-restraints excluded: chain D residue 4072 VAL Chi-restraints excluded: chain D residue 4075 GLU Chi-restraints excluded: chain D residue 4082 THR Chi-restraints excluded: chain D residue 4088 ILE Chi-restraints excluded: chain D residue 4098 ASP Chi-restraints excluded: chain D residue 4100 GLN Chi-restraints excluded: chain D residue 4106 PRO Chi-restraints excluded: chain D residue 4107 GLU Chi-restraints excluded: chain D residue 4109 GLN Chi-restraints excluded: chain D residue 4110 PHE Chi-restraints excluded: chain D residue 4111 LEU Chi-restraints excluded: chain D residue 4112 LEU Chi-restraints excluded: chain D residue 4113 SER Chi-restraints excluded: chain D residue 4115 SER Chi-restraints excluded: chain D residue 4123 ILE Chi-restraints excluded: chain D residue 4125 PHE Chi-restraints excluded: chain D residue 4127 GLU Chi-restraints excluded: chain D residue 4135 PRO Chi-restraints excluded: chain D residue 4139 ILE Chi-restraints excluded: chain D residue 4145 VAL Chi-restraints excluded: chain D residue 4154 VAL Chi-restraints excluded: chain D residue 4159 ARG Chi-restraints excluded: chain D residue 4170 ILE Chi-restraints excluded: chain D residue 4172 GLU Chi-restraints excluded: chain D residue 4178 LEU Chi-restraints excluded: chain D residue 4184 MET Chi-restraints excluded: chain D residue 4196 GLU Chi-restraints excluded: chain D residue 4200 THR Chi-restraints excluded: chain D residue 4220 ASP Chi-restraints excluded: chain D residue 4221 VAL Chi-restraints excluded: chain D residue 4232 GLU Chi-restraints excluded: chain D residue 4242 ILE Chi-restraints excluded: chain D residue 4244 GLU Chi-restraints excluded: chain D residue 4251 ILE Chi-restraints excluded: chain D residue 4546 VAL 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 4565 LEU Chi-restraints excluded: chain D residue 4582 VAL Chi-restraints excluded: chain D residue 4632 LEU Chi-restraints excluded: chain D residue 4634 GLU Chi-restraints excluded: chain D residue 4645 CYS Chi-restraints excluded: chain D residue 4647 SER Chi-restraints excluded: chain D residue 4653 VAL Chi-restraints excluded: chain D residue 4662 ASN Chi-restraints excluded: chain D residue 4667 PRO Chi-restraints excluded: chain D residue 4669 VAL Chi-restraints excluded: chain D residue 4688 ILE Chi-restraints excluded: chain D residue 4689 THR Chi-restraints excluded: chain D residue 4690 GLU Chi-restraints excluded: chain D residue 4694 ASP Chi-restraints excluded: chain D residue 4695 ASP Chi-restraints excluded: chain D residue 4698 LYS Chi-restraints excluded: chain D residue 4704 LEU Chi-restraints excluded: chain D residue 4707 ASN Chi-restraints excluded: chain D residue 4710 SER Chi-restraints excluded: chain D residue 4713 SER Chi-restraints excluded: chain D residue 4718 LYS Chi-restraints excluded: chain D residue 4722 ARG Chi-restraints excluded: chain D residue 4737 ILE Chi-restraints excluded: chain D residue 4741 LEU Chi-restraints excluded: chain D residue 4743 MET Chi-restraints excluded: chain D residue 4745 LEU Chi-restraints excluded: chain D residue 4766 THR Chi-restraints excluded: chain D residue 4788 SER Chi-restraints excluded: chain D residue 4816 ILE Chi-restraints excluded: chain D residue 4818 MET Chi-restraints excluded: chain D residue 4825 THR Chi-restraints excluded: chain D residue 4836 GLN Chi-restraints excluded: chain D residue 4838 VAL Chi-restraints excluded: chain D residue 4850 LEU Chi-restraints excluded: chain D residue 4869 GLU Chi-restraints excluded: chain D residue 4870 ASP Chi-restraints excluded: chain D residue 4874 MET Chi-restraints excluded: chain D residue 4879 MET Chi-restraints excluded: chain D residue 4880 MET Chi-restraints excluded: chain D residue 4881 THR Chi-restraints excluded: chain D residue 4901 ILE Chi-restraints excluded: chain D residue 4918 ILE Chi-restraints excluded: chain D residue 4919 THR Chi-restraints excluded: chain D residue 4948 GLU Chi-restraints excluded: chain D residue 4952 GLU Chi-restraints excluded: chain D residue 4954 MET Chi-restraints excluded: chain D residue 4956 THR Chi-restraints excluded: chain D residue 4957 LYS Chi-restraints excluded: chain D residue 4961 CYS Chi-restraints excluded: chain D residue 4965 SER Chi-restraints excluded: chain D residue 4966 ASP Chi-restraints excluded: chain D residue 4980 LEU Chi-restraints excluded: chain D residue 4992 LEU Chi-restraints excluded: chain D residue 5002 GLU Chi-restraints excluded: chain D residue 5008 SER Chi-restraints excluded: chain D residue 5023 PRO Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 0 random chunks: chunk None optimal weight: 5.9990 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 379 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 383 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A 413 GLN ** A 624 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2260 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2268 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2444 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4094 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4806 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A5003 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 379 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B 413 GLN ** B 624 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B1231 GLN B1688 HIS ** B2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2193 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2260 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2268 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2444 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4094 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4806 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 379 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C 413 GLN ** C 624 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C1231 GLN ** C1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2193 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2260 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C2284 ASN ** C2444 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4094 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4806 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C5003 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 297 GLN ** 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 413 GLN ** D 624 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2193 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2260 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2293 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2444 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3869 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3946 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4094 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4806 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D5003 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 8 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7821 moved from start: 0.8940 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.060 0.669 113365 Z= 3.863 Angle : 2.907 42.513 154462 Z= 1.536 Chirality : 0.185 1.327 18087 Planarity : 0.021 0.437 20349 Dihedral : 14.421 177.404 17057 Min Nonbonded Distance : 0.652 Molprobity Statistics. All-atom Clashscore : 52.44 Ramachandran Plot: Outliers : 2.67 % Allowed : 26.57 % Favored : 70.76 % Rotamer: Outliers : 23.01 % Allowed : 25.41 % Favored : 51.58 % Cbeta Deviations : 1.02 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 6.21 % Twisted General : 2.91 % 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: -6.89 (0.05), residues: 12368 helix: -4.29 (0.04), residues: 5696 sheet: -3.59 (0.12), residues: 1344 loop : -5.14 (0.06), residues: 5328 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.066 0.012 TRP D4794 HIS 0.041 0.007 HIS C4650 PHE 0.089 0.013 PHE C1288 TYR 0.087 0.012 TYR A 359 ARG 0.032 0.003 ARG D4892 ********************** REFINEMENT MACRO_CYCLE 10 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 24736 Ramachandran restraints generated. 12368 Oldfield, 0 Emsley, 12368 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 24736 Ramachandran restraints generated. 12368 Oldfield, 0 Emsley, 12368 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3055 residues out of total 10876 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2236 poor density : 819 time to evaluate : 8.827 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: A 32 GLN cc_start: 0.6841 (OUTLIER) cc_final: 0.6026 (mt0) REVERT: A 65 CYS cc_start: 0.8409 (m) cc_final: 0.7914 (t) REVERT: A 115 ARG cc_start: 0.8374 (OUTLIER) cc_final: 0.7501 (mmm-85) REVERT: A 129 ASP cc_start: 0.5086 (OUTLIER) cc_final: 0.4692 (m-30) REVERT: A 169 LEU cc_start: 0.7024 (OUTLIER) cc_final: 0.6669 (mt) REVERT: A 189 LEU cc_start: 0.8279 (OUTLIER) cc_final: 0.7955 (mt) REVERT: A 197 GLN cc_start: 0.8470 (OUTLIER) cc_final: 0.8176 (tt0) REVERT: A 218 HIS cc_start: 0.7358 (OUTLIER) cc_final: 0.6962 (m90) REVERT: A 276 TRP cc_start: 0.5928 (OUTLIER) cc_final: 0.5675 (m-10) REVERT: A 281 ARG cc_start: 0.5712 (OUTLIER) cc_final: 0.4629 (mtp180) REVERT: A 317 ARG cc_start: 0.7486 (OUTLIER) cc_final: 0.6374 (mmp80) REVERT: A 334 MET cc_start: 0.6940 (OUTLIER) cc_final: 0.6279 (mmp) REVERT: A 346 CYS cc_start: 0.6153 (OUTLIER) cc_final: 0.5335 (p) REVERT: A 392 ARG cc_start: 0.5792 (OUTLIER) cc_final: 0.5280 (ptt-90) REVERT: A 477 LEU cc_start: 0.8288 (OUTLIER) cc_final: 0.7992 (mt) REVERT: A 481 GLU cc_start: 0.7958 (OUTLIER) cc_final: 0.7292 (mp0) REVERT: A 483 MET cc_start: 0.8561 (mmt) cc_final: 0.8266 (mmt) REVERT: A 510 GLU cc_start: 0.6740 (OUTLIER) cc_final: 0.6255 (mm-30) REVERT: A 513 GLU cc_start: 0.8191 (mp0) cc_final: 0.7893 (mp0) REVERT: A 521 LEU cc_start: 0.8805 (OUTLIER) cc_final: 0.8048 (mp) REVERT: A 575 LEU cc_start: 0.9008 (OUTLIER) cc_final: 0.8777 (mp) REVERT: A 625 LEU cc_start: 0.6156 (OUTLIER) cc_final: 0.5290 (tp) REVERT: A 629 ARG cc_start: 0.8545 (OUTLIER) cc_final: 0.6535 (mmt90) REVERT: A 663 TYR cc_start: 0.3945 (OUTLIER) cc_final: 0.1275 (t80) REVERT: A 667 MET cc_start: 0.6807 (OUTLIER) cc_final: 0.6142 (tmm) REVERT: A 710 ASP cc_start: 0.8247 (OUTLIER) cc_final: 0.7967 (p0) REVERT: A 800 PHE cc_start: 0.6711 (OUTLIER) cc_final: 0.5605 (m-10) REVERT: A 801 LYS cc_start: 0.7881 (OUTLIER) cc_final: 0.6360 (mmtt) REVERT: A 802 PHE cc_start: 0.6856 (OUTLIER) cc_final: 0.5529 (t80) REVERT: A 822 ARG cc_start: 0.6648 (OUTLIER) cc_final: 0.5350 (ptt-90) REVERT: A 831 ARG cc_start: 0.7782 (OUTLIER) cc_final: 0.7351 (ptp-110) REVERT: A 933 LEU cc_start: 0.4022 (OUTLIER) cc_final: 0.3745 (pp) REVERT: A 961 MET cc_start: 0.5098 (OUTLIER) cc_final: 0.4025 (ptt) REVERT: A 1029 GLU cc_start: 0.4360 (OUTLIER) cc_final: 0.3943 (mp0) REVERT: A 1127 HIS cc_start: 0.6514 (OUTLIER) cc_final: 0.5845 (t70) REVERT: A 1128 ARG cc_start: 0.8274 (OUTLIER) cc_final: 0.7850 (tpp-160) REVERT: A 1137 GLU cc_start: 0.8093 (OUTLIER) cc_final: 0.7594 (mm-30) REVERT: A 1259 ARG cc_start: 0.8543 (OUTLIER) cc_final: 0.7561 (mtt90) REVERT: A 1271 ARG cc_start: 0.7683 (OUTLIER) cc_final: 0.7110 (ttp-110) REVERT: A 1580 PHE cc_start: 0.8510 (OUTLIER) cc_final: 0.6381 (t80) REVERT: A 1600 LEU cc_start: 0.8902 (OUTLIER) cc_final: 0.7916 (tp) REVERT: A 1654 SER cc_start: 0.8474 (OUTLIER) cc_final: 0.8093 (t) REVERT: A 1657 LEU cc_start: 0.9306 (OUTLIER) cc_final: 0.9028 (mp) REVERT: A 1671 ARG cc_start: 0.8651 (OUTLIER) cc_final: 0.8056 (mtm-85) REVERT: A 1700 ASP cc_start: 0.8593 (OUTLIER) cc_final: 0.8189 (m-30) REVERT: A 1720 LEU cc_start: 0.9051 (OUTLIER) cc_final: 0.8333 (mp) REVERT: A 1733 GLU cc_start: 0.8252 (OUTLIER) cc_final: 0.7157 (mt-10) REVERT: A 1772 ARG cc_start: 0.8785 (OUTLIER) cc_final: 0.8463 (mtt-85) REVERT: A 1815 LEU cc_start: 0.9055 (OUTLIER) cc_final: 0.8319 (mp) REVERT: A 1930 LYS cc_start: 0.8674 (OUTLIER) cc_final: 0.8104 (ttpp) REVERT: A 2039 LEU cc_start: 0.8655 (OUTLIER) cc_final: 0.8240 (mp) REVERT: A 2092 GLN cc_start: 0.7608 (mm-40) cc_final: 0.7354 (mm-40) REVERT: A 2161 GLN cc_start: 0.8697 (OUTLIER) cc_final: 0.7809 (tm-30) REVERT: A 2169 GLN cc_start: 0.8769 (OUTLIER) cc_final: 0.8023 (tt0) REVERT: A 2170 MET cc_start: 0.7714 (OUTLIER) cc_final: 0.6814 (tmm) REVERT: A 2197 LEU cc_start: 0.8485 (OUTLIER) cc_final: 0.8154 (mp) REVERT: A 2199 ARG cc_start: 0.8482 (OUTLIER) cc_final: 0.7273 (mtm-85) REVERT: A 2221 LYS cc_start: 0.6537 (OUTLIER) cc_final: 0.6059 (tttt) REVERT: A 2225 PHE cc_start: 0.7853 (OUTLIER) cc_final: 0.7623 (m-80) REVERT: A 2227 LYS cc_start: 0.8656 (OUTLIER) cc_final: 0.8314 (ttmm) REVERT: A 2244 ARG cc_start: 0.8097 (OUTLIER) cc_final: 0.7263 (mtp85) REVERT: A 2245 GLN cc_start: 0.8486 (OUTLIER) cc_final: 0.8126 (mp10) REVERT: A 2259 GLU cc_start: 0.8477 (OUTLIER) cc_final: 0.7749 (pm20) REVERT: A 2284 ASN cc_start: 0.7856 (OUTLIER) cc_final: 0.7159 (t0) REVERT: A 2295 LEU cc_start: 0.7935 (OUTLIER) cc_final: 0.7592 (mm) REVERT: A 2296 GLU cc_start: 0.8805 (OUTLIER) cc_final: 0.8333 (tp30) REVERT: A 2330 ARG cc_start: 0.8413 (OUTLIER) cc_final: 0.7532 (mpt-90) REVERT: A 2416 VAL cc_start: 0.8103 (OUTLIER) cc_final: 0.7874 (t) REVERT: A 2458 ARG cc_start: 0.7324 (OUTLIER) cc_final: 0.6847 (tpm170) REVERT: A 3669 PHE cc_start: 0.8613 (OUTLIER) cc_final: 0.8133 (p90) REVERT: A 3670 GLU cc_start: 0.8526 (OUTLIER) cc_final: 0.8038 (mp0) REVERT: A 3694 LYS cc_start: 0.8486 (OUTLIER) cc_final: 0.7612 (ptmm) REVERT: A 3707 ARG cc_start: 0.8453 (OUTLIER) cc_final: 0.7652 (ptt90) REVERT: A 3756 LYS cc_start: 0.7047 (OUTLIER) cc_final: 0.6833 (pttt) REVERT: A 3758 MET cc_start: 0.7631 (tpp) cc_final: 0.7203 (tpp) REVERT: A 3787 LYS cc_start: 0.9181 (OUTLIER) cc_final: 0.8597 (mttp) REVERT: A 3837 GLN cc_start: 0.9014 (OUTLIER) cc_final: 0.8562 (mt0) REVERT: A 3904 ARG cc_start: 0.9186 (OUTLIER) cc_final: 0.8735 (ttp-110) REVERT: A 3916 ILE cc_start: 0.8825 (OUTLIER) cc_final: 0.8596 (mt) REVERT: A 3924 LEU cc_start: 0.8967 (OUTLIER) cc_final: 0.8596 (tt) REVERT: A 3970 GLN cc_start: 0.8243 (OUTLIER) cc_final: 0.7868 (tt0) REVERT: A 4005 GLN cc_start: 0.7031 (OUTLIER) cc_final: 0.6258 (mt0) REVERT: A 4015 GLU cc_start: 0.7882 (OUTLIER) cc_final: 0.7541 (mm-30) REVERT: A 4026 MET cc_start: 0.8894 (OUTLIER) cc_final: 0.8503 (tmm) REVERT: A 4100 GLN cc_start: 0.5323 (OUTLIER) cc_final: 0.4589 (mm110) REVERT: A 4102 GLN cc_start: 0.4681 (OUTLIER) cc_final: 0.4144 (pt0) REVERT: A 4110 PHE cc_start: 0.3463 (OUTLIER) cc_final: 0.2739 (m-80) REVERT: A 4125 PHE cc_start: 0.2189 (OUTLIER) cc_final: 0.1131 (p90) REVERT: A 4135 PRO cc_start: 0.7588 (OUTLIER) cc_final: 0.7301 (Cg_endo) REVERT: A 4159 ARG cc_start: 0.8820 (OUTLIER) cc_final: 0.8126 (mtm-85) REVERT: A 4172 GLU cc_start: 0.8285 (OUTLIER) cc_final: 0.7537 (mp0) REVERT: A 4196 GLU cc_start: 0.8830 (OUTLIER) cc_final: 0.8618 (tt0) REVERT: A 4232 GLU cc_start: 0.9022 (OUTLIER) cc_final: 0.8159 (tt0) REVERT: A 4244 GLU cc_start: 0.8920 (OUTLIER) cc_final: 0.8077 (mm-30) REVERT: A 4632 LEU cc_start: 0.8803 (OUTLIER) cc_final: 0.8463 (tt) REVERT: A 4704 LEU cc_start: 0.9456 (OUTLIER) cc_final: 0.9060 (mp) REVERT: A 4718 LYS cc_start: 0.8913 (OUTLIER) cc_final: 0.8609 (mmtm) REVERT: A 4741 LEU cc_start: 0.9238 (OUTLIER) cc_final: 0.8727 (mp) REVERT: A 4796 MET cc_start: 0.8916 (OUTLIER) cc_final: 0.8047 (tpt) REVERT: A 4836 GLN cc_start: 0.9155 (OUTLIER) cc_final: 0.8348 (mt0) REVERT: A 4839 MET cc_start: 0.9230 (mmm) cc_final: 0.8977 (mtp) REVERT: A 4948 GLU cc_start: 0.8804 (OUTLIER) cc_final: 0.8177 (mp0) REVERT: B 32 GLN cc_start: 0.6666 (OUTLIER) cc_final: 0.6397 (tp40) REVERT: B 65 CYS cc_start: 0.8375 (m) cc_final: 0.7916 (t) REVERT: B 115 ARG cc_start: 0.8340 (OUTLIER) cc_final: 0.7472 (mmm-85) REVERT: B 129 ASP cc_start: 0.5033 (OUTLIER) cc_final: 0.4617 (m-30) REVERT: B 169 LEU cc_start: 0.7058 (OUTLIER) cc_final: 0.6704 (mt) REVERT: B 189 LEU cc_start: 0.8258 (OUTLIER) cc_final: 0.8014 (mt) REVERT: B 197 GLN cc_start: 0.8446 (OUTLIER) cc_final: 0.8138 (tt0) REVERT: B 218 HIS cc_start: 0.7461 (OUTLIER) cc_final: 0.7065 (m90) REVERT: B 317 ARG cc_start: 0.7523 (OUTLIER) cc_final: 0.6385 (mmp80) REVERT: B 334 MET cc_start: 0.6965 (OUTLIER) cc_final: 0.6000 (mmp) REVERT: B 346 CYS cc_start: 0.6155 (OUTLIER) cc_final: 0.5298 (p) REVERT: B 392 ARG cc_start: 0.5987 (OUTLIER) cc_final: 0.5593 (ptt-90) REVERT: B 396 GLU cc_start: 0.7159 (OUTLIER) cc_final: 0.6835 (pp20) REVERT: B 521 LEU cc_start: 0.8804 (OUTLIER) cc_final: 0.8045 (mp) REVERT: B 575 LEU cc_start: 0.9009 (OUTLIER) cc_final: 0.8774 (mp) REVERT: B 625 LEU cc_start: 0.6193 (OUTLIER) cc_final: 0.5363 (tp) REVERT: B 629 ARG cc_start: 0.8529 (OUTLIER) cc_final: 0.6573 (mmt90) REVERT: B 663 TYR cc_start: 0.4101 (OUTLIER) cc_final: 0.1283 (t80) REVERT: B 710 ASP cc_start: 0.8275 (OUTLIER) cc_final: 0.8009 (p0) REVERT: B 714 TYR cc_start: 0.6821 (OUTLIER) cc_final: 0.6126 (m-80) REVERT: B 768 PHE cc_start: 0.6718 (OUTLIER) cc_final: 0.5610 (m-80) REVERT: B 788 LYS cc_start: 0.5841 (OUTLIER) cc_final: 0.5461 (mtmt) REVERT: B 800 PHE cc_start: 0.6673 (OUTLIER) cc_final: 0.5591 (m-10) REVERT: B 801 LYS cc_start: 0.7879 (OUTLIER) cc_final: 0.6598 (mmtt) REVERT: B 802 PHE cc_start: 0.6678 (OUTLIER) cc_final: 0.5824 (m-80) REVERT: B 822 ARG cc_start: 0.6434 (OUTLIER) cc_final: 0.5174 (ptt-90) REVERT: B 831 ARG cc_start: 0.7817 (OUTLIER) cc_final: 0.7353 (ptp-110) REVERT: B 933 LEU cc_start: 0.4031 (OUTLIER) cc_final: 0.3742 (pp) REVERT: B 1122 TYR cc_start: 0.7957 (m-80) cc_final: 0.7712 (m-10) REVERT: B 1127 HIS cc_start: 0.6634 (OUTLIER) cc_final: 0.5953 (t70) REVERT: B 1131 ARG cc_start: 0.7463 (OUTLIER) cc_final: 0.7224 (ptt180) REVERT: B 1137 GLU cc_start: 0.7925 (OUTLIER) cc_final: 0.7386 (mm-30) REVERT: B 1198 GLN cc_start: 0.7622 (OUTLIER) cc_final: 0.7297 (mp10) REVERT: B 1219 LEU cc_start: 0.7846 (OUTLIER) cc_final: 0.7197 (mm) REVERT: B 1259 ARG cc_start: 0.8567 (OUTLIER) cc_final: 0.7765 (mtt90) REVERT: B 1271 ARG cc_start: 0.7685 (OUTLIER) cc_final: 0.7086 (ttp-110) REVERT: B 1457 TYR cc_start: 0.7882 (OUTLIER) cc_final: 0.7547 (m-80) REVERT: B 1580 PHE cc_start: 0.8603 (OUTLIER) cc_final: 0.6597 (t80) REVERT: B 1583 GLU cc_start: 0.5870 (OUTLIER) cc_final: 0.4314 (mm-30) REVERT: B 1600 LEU cc_start: 0.8897 (OUTLIER) cc_final: 0.7897 (tp) REVERT: B 1657 LEU cc_start: 0.9301 (OUTLIER) cc_final: 0.9019 (mp) REVERT: B 1668 ARG cc_start: 0.9076 (OUTLIER) cc_final: 0.8383 (ttm-80) REVERT: B 1671 ARG cc_start: 0.8645 (OUTLIER) cc_final: 0.8053 (mtm-85) REVERT: B 1700 ASP cc_start: 0.8624 (OUTLIER) cc_final: 0.8230 (m-30) REVERT: B 1720 LEU cc_start: 0.9053 (OUTLIER) cc_final: 0.8338 (mp) REVERT: B 1733 GLU cc_start: 0.8260 (OUTLIER) cc_final: 0.7149 (mt-10) REVERT: B 1772 ARG cc_start: 0.8792 (OUTLIER) cc_final: 0.8438 (mtt-85) REVERT: B 1782 PHE cc_start: 0.7531 (OUTLIER) cc_final: 0.7060 (p90) REVERT: B 1815 LEU cc_start: 0.9050 (OUTLIER) cc_final: 0.8309 (mp) REVERT: B 1873 GLU cc_start: 0.6423 (OUTLIER) cc_final: 0.6128 (tm-30) REVERT: B 1996 ARG cc_start: 0.6838 (OUTLIER) cc_final: 0.6027 (ptm160) REVERT: B 2092 GLN cc_start: 0.7546 (mm-40) cc_final: 0.7279 (mm110) REVERT: B 2161 GLN cc_start: 0.8699 (OUTLIER) cc_final: 0.7814 (tm-30) REVERT: B 2169 GLN cc_start: 0.8767 (OUTLIER) cc_final: 0.8025 (tt0) REVERT: B 2170 MET cc_start: 0.7707 (OUTLIER) cc_final: 0.6800 (tmm) REVERT: B 2197 LEU cc_start: 0.8488 (OUTLIER) cc_final: 0.8158 (mp) REVERT: B 2199 ARG cc_start: 0.8492 (OUTLIER) cc_final: 0.7259 (mtm-85) REVERT: B 2221 LYS cc_start: 0.6506 (OUTLIER) cc_final: 0.6025 (tttt) REVERT: B 2225 PHE cc_start: 0.7845 (OUTLIER) cc_final: 0.7617 (m-80) REVERT: B 2227 LYS cc_start: 0.8630 (OUTLIER) cc_final: 0.8298 (ttmm) REVERT: B 2244 ARG cc_start: 0.8096 (OUTLIER) cc_final: 0.7313 (mtp85) REVERT: B 2248 ARG cc_start: 0.7682 (OUTLIER) cc_final: 0.7079 (ttm-80) REVERT: B 2259 GLU cc_start: 0.8462 (OUTLIER) cc_final: 0.7718 (pm20) REVERT: B 2295 LEU cc_start: 0.7977 (OUTLIER) cc_final: 0.7582 (mm) REVERT: B 2296 GLU cc_start: 0.8705 (OUTLIER) cc_final: 0.8186 (tp30) REVERT: B 2330 ARG cc_start: 0.8400 (OUTLIER) cc_final: 0.7545 (mpt-90) REVERT: B 2377 LEU cc_start: 0.5227 (OUTLIER) cc_final: 0.5001 (mm) REVERT: B 2416 VAL cc_start: 0.8098 (OUTLIER) cc_final: 0.7872 (t) REVERT: B 3648 ARG cc_start: 0.8557 (OUTLIER) cc_final: 0.7454 (mtm-85) REVERT: B 3670 GLU cc_start: 0.8543 (OUTLIER) cc_final: 0.8061 (mp0) REVERT: B 3694 LYS cc_start: 0.8476 (OUTLIER) cc_final: 0.7666 (ptmm) REVERT: B 3707 ARG cc_start: 0.8434 (OUTLIER) cc_final: 0.7635 (ptt90) REVERT: B 3758 MET cc_start: 0.7603 (tpp) cc_final: 0.7168 (tpp) REVERT: B 3837 GLN cc_start: 0.9010 (OUTLIER) cc_final: 0.8558 (mt0) REVERT: B 3850 GLN cc_start: 0.8700 (OUTLIER) cc_final: 0.8148 (tp-100) REVERT: B 3872 GLU cc_start: 0.7934 (OUTLIER) cc_final: 0.7434 (pm20) REVERT: B 3904 ARG cc_start: 0.9191 (OUTLIER) cc_final: 0.8722 (ttp-110) REVERT: B 3916 ILE cc_start: 0.8816 (OUTLIER) cc_final: 0.8593 (mt) REVERT: B 3924 LEU cc_start: 0.8962 (OUTLIER) cc_final: 0.8592 (tt) REVERT: B 3970 GLN cc_start: 0.8220 (OUTLIER) cc_final: 0.7840 (tt0) REVERT: B 4005 GLN cc_start: 0.7050 (OUTLIER) cc_final: 0.6311 (mt0) REVERT: B 4014 LYS cc_start: 0.6192 (OUTLIER) cc_final: 0.5739 (ptmt) REVERT: B 4087 LEU cc_start: 0.5944 (OUTLIER) cc_final: 0.5654 (tt) REVERT: B 4100 GLN cc_start: 0.5308 (OUTLIER) cc_final: 0.4444 (mm-40) REVERT: B 4110 PHE cc_start: 0.3581 (OUTLIER) cc_final: 0.2868 (m-80) REVERT: B 4125 PHE cc_start: 0.1915 (OUTLIER) cc_final: 0.0507 (p90) REVERT: B 4135 PRO cc_start: 0.7636 (OUTLIER) cc_final: 0.7357 (Cg_endo) REVERT: B 4159 ARG cc_start: 0.8820 (OUTLIER) cc_final: 0.8078 (mtm-85) REVERT: B 4172 GLU cc_start: 0.8269 (OUTLIER) cc_final: 0.7504 (mp0) REVERT: B 4232 GLU cc_start: 0.9026 (OUTLIER) cc_final: 0.8165 (tt0) REVERT: B 4244 GLU cc_start: 0.8924 (OUTLIER) cc_final: 0.8104 (mm-30) REVERT: B 4568 PHE cc_start: 0.8813 (OUTLIER) cc_final: 0.7996 (t80) REVERT: B 4632 LEU cc_start: 0.8819 (OUTLIER) cc_final: 0.8474 (tt) REVERT: B 4700 GLN cc_start: 0.9195 (OUTLIER) cc_final: 0.8943 (mm-40) REVERT: B 4704 LEU cc_start: 0.9453 (OUTLIER) cc_final: 0.9061 (mp) REVERT: B 4718 LYS cc_start: 0.8892 (OUTLIER) cc_final: 0.8587 (mmtm) REVERT: B 4741 LEU cc_start: 0.9230 (OUTLIER) cc_final: 0.8719 (mp) REVERT: B 4796 MET cc_start: 0.8914 (OUTLIER) cc_final: 0.8035 (tpt) REVERT: B 4836 GLN cc_start: 0.9158 (OUTLIER) cc_final: 0.8351 (mt0) REVERT: B 4839 MET cc_start: 0.9234 (mmm) cc_final: 0.8953 (mtp) REVERT: B 4869 GLU cc_start: 0.9144 (OUTLIER) cc_final: 0.8427 (tm-30) REVERT: B 4948 GLU cc_start: 0.8819 (OUTLIER) cc_final: 0.8155 (mp0) REVERT: C 23 GLN cc_start: 0.7212 (OUTLIER) cc_final: 0.7003 (pt0) REVERT: C 32 GLN cc_start: 0.6711 (OUTLIER) cc_final: 0.6483 (tp40) REVERT: C 65 CYS cc_start: 0.8415 (m) cc_final: 0.7929 (t) REVERT: C 115 ARG cc_start: 0.8353 (OUTLIER) cc_final: 0.7478 (mmm-85) REVERT: C 169 LEU cc_start: 0.7070 (OUTLIER) cc_final: 0.6698 (mt) REVERT: C 197 GLN cc_start: 0.8420 (OUTLIER) cc_final: 0.7944 (tt0) REVERT: C 218 HIS cc_start: 0.7321 (OUTLIER) cc_final: 0.6962 (m90) REVERT: C 246 TYR cc_start: 0.6851 (m-80) cc_final: 0.6412 (m-80) REVERT: C 317 ARG cc_start: 0.7489 (OUTLIER) cc_final: 0.6277 (mmp80) REVERT: C 334 MET cc_start: 0.6934 (OUTLIER) cc_final: 0.6328 (mmp) REVERT: C 346 CYS cc_start: 0.6236 (OUTLIER) cc_final: 0.5543 (p) REVERT: C 392 ARG cc_start: 0.5927 (OUTLIER) cc_final: 0.5548 (ptt-90) REVERT: C 396 GLU cc_start: 0.7182 (OUTLIER) cc_final: 0.6861 (pp20) REVERT: C 481 GLU cc_start: 0.7945 (OUTLIER) cc_final: 0.7281 (mp0) REVERT: C 484 LEU cc_start: 0.8647 (OUTLIER) cc_final: 0.8437 (tt) REVERT: C 521 LEU cc_start: 0.8803 (OUTLIER) cc_final: 0.8047 (mp) REVERT: C 575 LEU cc_start: 0.9013 (OUTLIER) cc_final: 0.8775 (mp) REVERT: C 590 LEU cc_start: 0.9038 (OUTLIER) cc_final: 0.8807 (mt) REVERT: C 625 LEU cc_start: 0.6124 (OUTLIER) cc_final: 0.5323 (tp) REVERT: C 629 ARG cc_start: 0.8552 (OUTLIER) cc_final: 0.6585 (mmt90) REVERT: C 663 TYR cc_start: 0.4043 (OUTLIER) cc_final: 0.1208 (t80) REVERT: C 710 ASP cc_start: 0.8222 (OUTLIER) cc_final: 0.7917 (p0) REVERT: C 788 LYS cc_start: 0.5885 (OUTLIER) cc_final: 0.5486 (mtmt) REVERT: C 800 PHE cc_start: 0.6840 (OUTLIER) cc_final: 0.5719 (m-80) REVERT: C 801 LYS cc_start: 0.7823 (OUTLIER) cc_final: 0.6634 (mmtt) REVERT: C 802 PHE cc_start: 0.6674 (OUTLIER) cc_final: 0.5813 (m-80) REVERT: C 822 ARG cc_start: 0.6386 (OUTLIER) cc_final: 0.5171 (ptt-90) REVERT: C 831 ARG cc_start: 0.7803 (OUTLIER) cc_final: 0.7368 (ptp-110) REVERT: C 933 LEU cc_start: 0.4237 (OUTLIER) cc_final: 0.3994 (pp) REVERT: C 961 MET cc_start: 0.4946 (OUTLIER) cc_final: 0.3984 (ptm) REVERT: C 1106 ARG cc_start: 0.8264 (OUTLIER) cc_final: 0.7863 (mmt-90) REVERT: C 1127 HIS cc_start: 0.6776 (OUTLIER) cc_final: 0.6029 (t70) REVERT: C 1131 ARG cc_start: 0.7455 (OUTLIER) cc_final: 0.7234 (ptt180) REVERT: C 1137 GLU cc_start: 0.7910 (OUTLIER) cc_final: 0.7393 (mm-30) REVERT: C 1198 GLN cc_start: 0.7623 (OUTLIER) cc_final: 0.7331 (mp10) REVERT: C 1219 LEU cc_start: 0.7820 (OUTLIER) cc_final: 0.7198 (mm) REVERT: C 1259 ARG cc_start: 0.8557 (OUTLIER) cc_final: 0.7579 (mtt90) REVERT: C 1271 ARG cc_start: 0.7658 (OUTLIER) cc_final: 0.7027 (ttp-110) REVERT: C 1600 LEU cc_start: 0.8889 (OUTLIER) cc_final: 0.7871 (tp) REVERT: C 1657 LEU cc_start: 0.9303 (OUTLIER) cc_final: 0.9026 (mp) REVERT: C 1668 ARG cc_start: 0.9074 (OUTLIER) cc_final: 0.8380 (ttm-80) REVERT: C 1671 ARG cc_start: 0.8648 (OUTLIER) cc_final: 0.8053 (mtm-85) REVERT: C 1700 ASP cc_start: 0.8620 (OUTLIER) cc_final: 0.8229 (m-30) REVERT: C 1720 LEU cc_start: 0.9059 (OUTLIER) cc_final: 0.8346 (mp) REVERT: C 1733 GLU cc_start: 0.8247 (OUTLIER) cc_final: 0.7143 (mt-10) REVERT: C 1772 ARG cc_start: 0.8795 (OUTLIER) cc_final: 0.8463 (mtt-85) REVERT: C 1782 PHE cc_start: 0.7211 (OUTLIER) cc_final: 0.6829 (p90) REVERT: C 1815 LEU cc_start: 0.9057 (OUTLIER) cc_final: 0.8319 (mp) REVERT: C 1930 LYS cc_start: 0.8680 (OUTLIER) cc_final: 0.8158 (ttpp) REVERT: C 2039 LEU cc_start: 0.8657 (OUTLIER) cc_final: 0.8272 (mp) REVERT: C 2092 GLN cc_start: 0.7607 (mm-40) cc_final: 0.7364 (mm-40) REVERT: C 2161 GLN cc_start: 0.8703 (OUTLIER) cc_final: 0.7820 (tm-30) REVERT: C 2169 GLN cc_start: 0.8773 (OUTLIER) cc_final: 0.8032 (tt0) REVERT: C 2170 MET cc_start: 0.7716 (OUTLIER) cc_final: 0.6806 (tmm) REVERT: C 2197 LEU cc_start: 0.8506 (OUTLIER) cc_final: 0.8181 (mp) REVERT: C 2199 ARG cc_start: 0.8487 (OUTLIER) cc_final: 0.7343 (mtm-85) REVERT: C 2221 LYS cc_start: 0.6525 (OUTLIER) cc_final: 0.6040 (tttt) REVERT: C 2225 PHE cc_start: 0.7819 (OUTLIER) cc_final: 0.7574 (m-80) REVERT: C 2227 LYS cc_start: 0.8638 (OUTLIER) cc_final: 0.8308 (ttmm) REVERT: C 2244 ARG cc_start: 0.8089 (OUTLIER) cc_final: 0.7207 (mtp85) REVERT: C 2245 GLN cc_start: 0.8387 (OUTLIER) cc_final: 0.8027 (mp10) REVERT: C 2248 ARG cc_start: 0.7548 (OUTLIER) cc_final: 0.7008 (ttm-80) REVERT: C 2295 LEU cc_start: 0.7903 (OUTLIER) cc_final: 0.7554 (mm) REVERT: C 2296 GLU cc_start: 0.8806 (OUTLIER) cc_final: 0.8335 (tp30) REVERT: C 2330 ARG cc_start: 0.8391 (OUTLIER) cc_final: 0.7539 (mpt-90) REVERT: C 2377 LEU cc_start: 0.5277 (OUTLIER) cc_final: 0.5048 (mm) REVERT: C 2416 VAL cc_start: 0.8096 (OUTLIER) cc_final: 0.7870 (t) REVERT: C 3670 GLU cc_start: 0.8544 (OUTLIER) cc_final: 0.8061 (mp0) REVERT: C 3694 LYS cc_start: 0.8469 (OUTLIER) cc_final: 0.7831 (ptmm) REVERT: C 3707 ARG cc_start: 0.8446 (OUTLIER) cc_final: 0.7651 (ptt90) REVERT: C 3758 MET cc_start: 0.7629 (tpp) cc_final: 0.7194 (tpp) REVERT: C 3837 GLN cc_start: 0.9010 (OUTLIER) cc_final: 0.8556 (mt0) REVERT: C 3850 GLN cc_start: 0.8691 (OUTLIER) cc_final: 0.8182 (tp-100) REVERT: C 3873 LYS cc_start: 0.8220 (OUTLIER) cc_final: 0.7519 (tppt) REVERT: C 3904 ARG cc_start: 0.9187 (OUTLIER) cc_final: 0.8732 (ttp-110) REVERT: C 3916 ILE cc_start: 0.8820 (OUTLIER) cc_final: 0.8596 (mt) REVERT: C 3924 LEU cc_start: 0.8955 (OUTLIER) cc_final: 0.8589 (tt) REVERT: C 3970 GLN cc_start: 0.8251 (OUTLIER) cc_final: 0.7879 (tt0) REVERT: C 4005 GLN cc_start: 0.7055 (OUTLIER) cc_final: 0.6319 (mt0) REVERT: C 4014 LYS cc_start: 0.6097 (OUTLIER) cc_final: 0.5679 (ptmt) REVERT: C 4100 GLN cc_start: 0.5317 (OUTLIER) cc_final: 0.4461 (mm-40) REVERT: C 4110 PHE cc_start: 0.3612 (OUTLIER) cc_final: 0.2887 (m-80) REVERT: C 4125 PHE cc_start: 0.1900 (OUTLIER) cc_final: 0.0477 (p90) REVERT: C 4135 PRO cc_start: 0.7580 (OUTLIER) cc_final: 0.7296 (Cg_endo) REVERT: C 4159 ARG cc_start: 0.8825 (OUTLIER) cc_final: 0.8086 (mtm-85) REVERT: C 4172 GLU cc_start: 0.8260 (OUTLIER) cc_final: 0.7479 (mp0) REVERT: C 4202 ARG cc_start: 0.8406 (OUTLIER) cc_final: 0.6795 (tpp80) REVERT: C 4232 GLU cc_start: 0.9033 (OUTLIER) cc_final: 0.8174 (tt0) REVERT: C 4244 GLU cc_start: 0.8924 (OUTLIER) cc_final: 0.8095 (mm-30) REVERT: C 4632 LEU cc_start: 0.8790 (OUTLIER) cc_final: 0.8448 (tt) REVERT: C 4704 LEU cc_start: 0.9471 (OUTLIER) cc_final: 0.9073 (mp) REVERT: C 4718 LYS cc_start: 0.8895 (OUTLIER) cc_final: 0.8592 (mmtm) REVERT: C 4741 LEU cc_start: 0.9238 (OUTLIER) cc_final: 0.8764 (mp) REVERT: C 4836 GLN cc_start: 0.9157 (OUTLIER) cc_final: 0.8363 (mt0) REVERT: C 4839 MET cc_start: 0.9215 (mmm) cc_final: 0.8949 (mtp) REVERT: C 4869 GLU cc_start: 0.9170 (OUTLIER) cc_final: 0.8425 (tm-30) REVERT: C 4948 GLU cc_start: 0.8805 (OUTLIER) cc_final: 0.8107 (mp0) REVERT: C 4952 GLU cc_start: 0.8422 (OUTLIER) cc_final: 0.7231 (tm-30) REVERT: D 65 CYS cc_start: 0.8384 (m) cc_final: 0.7910 (t) REVERT: D 115 ARG cc_start: 0.8352 (OUTLIER) cc_final: 0.7475 (mmm-85) REVERT: D 169 LEU cc_start: 0.7071 (OUTLIER) cc_final: 0.6716 (mt) REVERT: D 189 LEU cc_start: 0.8307 (OUTLIER) cc_final: 0.8006 (mt) REVERT: D 197 GLN cc_start: 0.8467 (OUTLIER) cc_final: 0.7961 (tt0) REVERT: D 218 HIS cc_start: 0.7464 (OUTLIER) cc_final: 0.7053 (m90) REVERT: D 246 TYR cc_start: 0.6907 (m-80) cc_final: 0.6445 (m-80) REVERT: D 317 ARG cc_start: 0.7503 (OUTLIER) cc_final: 0.6358 (mmp80) REVERT: D 334 MET cc_start: 0.6888 (OUTLIER) cc_final: 0.6286 (mmp) REVERT: D 346 CYS cc_start: 0.6291 (OUTLIER) cc_final: 0.5558 (p) REVERT: D 392 ARG cc_start: 0.5882 (OUTLIER) cc_final: 0.5408 (ptt-90) REVERT: D 396 GLU cc_start: 0.7422 (OUTLIER) cc_final: 0.7010 (pp20) REVERT: D 481 GLU cc_start: 0.7959 (OUTLIER) cc_final: 0.7286 (mp0) REVERT: D 510 GLU cc_start: 0.6651 (OUTLIER) cc_final: 0.5936 (mm-30) REVERT: D 513 GLU cc_start: 0.8417 (mp0) cc_final: 0.8107 (mp0) REVERT: D 521 LEU cc_start: 0.8805 (OUTLIER) cc_final: 0.8054 (mp) REVERT: D 575 LEU cc_start: 0.9017 (OUTLIER) cc_final: 0.8787 (mp) REVERT: D 625 LEU cc_start: 0.6191 (OUTLIER) cc_final: 0.5369 (tp) REVERT: D 629 ARG cc_start: 0.8537 (OUTLIER) cc_final: 0.6287 (mmt90) REVERT: D 645 ARG cc_start: 0.7127 (OUTLIER) cc_final: 0.6758 (ptm160) REVERT: D 662 TRP cc_start: 0.5550 (m100) cc_final: 0.4931 (m100) REVERT: D 710 ASP cc_start: 0.8288 (OUTLIER) cc_final: 0.7991 (p0) REVERT: D 757 PHE cc_start: 0.7502 (OUTLIER) cc_final: 0.7140 (m-80) REVERT: D 788 LYS cc_start: 0.5891 (OUTLIER) cc_final: 0.5505 (mtmt) REVERT: D 800 PHE cc_start: 0.6545 (OUTLIER) cc_final: 0.5533 (m-80) REVERT: D 801 LYS cc_start: 0.6494 (OUTLIER) cc_final: 0.6215 (mmtt) REVERT: D 822 ARG cc_start: 0.6746 (OUTLIER) cc_final: 0.5401 (ptt-90) REVERT: D 831 ARG cc_start: 0.7788 (OUTLIER) cc_final: 0.7395 (ptp-110) REVERT: D 917 GLU cc_start: 0.1216 (OUTLIER) cc_final: 0.0626 (tt0) REVERT: D 961 MET cc_start: 0.4709 (mtt) cc_final: 0.4242 (ptt) REVERT: D 1106 ARG cc_start: 0.8283 (OUTLIER) cc_final: 0.7897 (mmt-90) REVERT: D 1127 HIS cc_start: 0.6823 (OUTLIER) cc_final: 0.5985 (t70) REVERT: D 1131 ARG cc_start: 0.7331 (OUTLIER) cc_final: 0.6846 (ptt180) REVERT: D 1137 GLU cc_start: 0.7980 (OUTLIER) cc_final: 0.7493 (mm-30) REVERT: D 1152 MET cc_start: 0.7311 (OUTLIER) cc_final: 0.7059 (mmm) REVERT: D 1198 GLN cc_start: 0.7638 (OUTLIER) cc_final: 0.7348 (mp10) REVERT: D 1259 ARG cc_start: 0.8565 (OUTLIER) cc_final: 0.7886 (mtt90) REVERT: D 1271 ARG cc_start: 0.7632 (OUTLIER) cc_final: 0.6991 (ttp-110) REVERT: D 1462 MET cc_start: 0.7969 (ttm) cc_final: 0.7570 (mtt) REVERT: D 1580 PHE cc_start: 0.8521 (OUTLIER) cc_final: 0.6421 (t80) REVERT: D 1600 LEU cc_start: 0.8885 (OUTLIER) cc_final: 0.7864 (tp) REVERT: D 1671 ARG cc_start: 0.8641 (OUTLIER) cc_final: 0.8046 (mtm-85) REVERT: D 1700 ASP cc_start: 0.8623 (OUTLIER) cc_final: 0.8240 (m-30) REVERT: D 1720 LEU cc_start: 0.9055 (OUTLIER) cc_final: 0.8340 (mp) REVERT: D 1733 GLU cc_start: 0.8250 (OUTLIER) cc_final: 0.7142 (mt-10) REVERT: D 1771 LEU cc_start: 0.9194 (OUTLIER) cc_final: 0.8969 (mp) REVERT: D 1772 ARG cc_start: 0.8789 (OUTLIER) cc_final: 0.8479 (mtt-85) REVERT: D 1782 PHE cc_start: 0.7217 (OUTLIER) cc_final: 0.6758 (p90) REVERT: D 1815 LEU cc_start: 0.9027 (OUTLIER) cc_final: 0.8328 (mp) REVERT: D 1930 LYS cc_start: 0.8639 (OUTLIER) cc_final: 0.8080 (ttpp) REVERT: D 1981 MET cc_start: 0.5570 (mpp) cc_final: 0.4826 (mtt) REVERT: D 2039 LEU cc_start: 0.8674 (OUTLIER) cc_final: 0.8265 (mp) REVERT: D 2092 GLN cc_start: 0.7590 (mm-40) cc_final: 0.7351 (mm-40) REVERT: D 2161 GLN cc_start: 0.8695 (OUTLIER) cc_final: 0.7809 (tm-30) REVERT: D 2169 GLN cc_start: 0.8785 (OUTLIER) cc_final: 0.8042 (tt0) REVERT: D 2170 MET cc_start: 0.7745 (OUTLIER) cc_final: 0.6853 (tmm) REVERT: D 2173 GLN cc_start: 0.7944 (OUTLIER) cc_final: 0.7727 (tt0) REVERT: D 2197 LEU cc_start: 0.8480 (OUTLIER) cc_final: 0.8147 (mp) REVERT: D 2199 ARG cc_start: 0.8490 (OUTLIER) cc_final: 0.7276 (mtm-85) REVERT: D 2221 LYS cc_start: 0.6503 (OUTLIER) cc_final: 0.6021 (tttt) REVERT: D 2225 PHE cc_start: 0.7823 (OUTLIER) cc_final: 0.7582 (m-80) REVERT: D 2227 LYS cc_start: 0.8645 (OUTLIER) cc_final: 0.8305 (ttmm) REVERT: D 2244 ARG cc_start: 0.8106 (OUTLIER) cc_final: 0.7257 (mtp85) REVERT: D 2245 GLN cc_start: 0.8357 (OUTLIER) cc_final: 0.7999 (mp10) REVERT: D 2248 ARG cc_start: 0.7584 (OUTLIER) cc_final: 0.7049 (ttm-80) REVERT: D 2295 LEU cc_start: 0.7939 (OUTLIER) cc_final: 0.7596 (mm) REVERT: D 2296 GLU cc_start: 0.8806 (OUTLIER) cc_final: 0.8337 (tp30) REVERT: D 2330 ARG cc_start: 0.8406 (OUTLIER) cc_final: 0.7537 (mpt-90) REVERT: D 2416 VAL cc_start: 0.8100 (OUTLIER) cc_final: 0.7872 (t) REVERT: D 2458 ARG cc_start: 0.7323 (OUTLIER) cc_final: 0.6884 (tpm170) REVERT: D 3670 GLU cc_start: 0.8550 (OUTLIER) cc_final: 0.8127 (mp0) REVERT: D 3694 LYS cc_start: 0.8529 (OUTLIER) cc_final: 0.8038 (ptmm) REVERT: D 3758 MET cc_start: 0.7617 (tpp) cc_final: 0.7187 (tpp) REVERT: D 3787 LYS cc_start: 0.9181 (OUTLIER) cc_final: 0.8583 (mttp) REVERT: D 3837 GLN cc_start: 0.9056 (OUTLIER) cc_final: 0.8646 (mt0) REVERT: D 3850 GLN cc_start: 0.8672 (OUTLIER) cc_final: 0.8098 (tp-100) REVERT: D 3904 ARG cc_start: 0.9190 (OUTLIER) cc_final: 0.8733 (ttp-110) REVERT: D 3916 ILE cc_start: 0.8825 (OUTLIER) cc_final: 0.8598 (mt) REVERT: D 3924 LEU cc_start: 0.8965 (OUTLIER) cc_final: 0.8602 (tt) REVERT: D 3970 GLN cc_start: 0.8242 (OUTLIER) cc_final: 0.7842 (tt0) REVERT: D 4005 GLN cc_start: 0.7035 (OUTLIER) cc_final: 0.6299 (mt0) REVERT: D 4014 LYS cc_start: 0.6104 (OUTLIER) cc_final: 0.5654 (ptmt) REVERT: D 4069 LYS cc_start: 0.5336 (OUTLIER) cc_final: 0.5133 (tptm) REVERT: D 4100 GLN cc_start: 0.5388 (OUTLIER) cc_final: 0.4515 (mm-40) REVERT: D 4110 PHE cc_start: 0.3537 (OUTLIER) cc_final: 0.2839 (m-80) REVERT: D 4125 PHE cc_start: 0.2087 (OUTLIER) cc_final: 0.0818 (p90) REVERT: D 4135 PRO cc_start: 0.7568 (OUTLIER) cc_final: 0.7296 (Cg_endo) REVERT: D 4159 ARG cc_start: 0.8827 (OUTLIER) cc_final: 0.8121 (mtm-85) REVERT: D 4172 GLU cc_start: 0.8279 (OUTLIER) cc_final: 0.7520 (mp0) REVERT: D 4232 GLU cc_start: 0.9024 (OUTLIER) cc_final: 0.8163 (tt0) REVERT: D 4244 GLU cc_start: 0.8921 (OUTLIER) cc_final: 0.8069 (mm-30) REVERT: D 4632 LEU cc_start: 0.8797 (OUTLIER) cc_final: 0.8454 (tt) REVERT: D 4704 LEU cc_start: 0.9458 (OUTLIER) cc_final: 0.9058 (mp) REVERT: D 4718 LYS cc_start: 0.8917 (OUTLIER) cc_final: 0.8610 (mmtm) REVERT: D 4741 LEU cc_start: 0.9240 (OUTLIER) cc_final: 0.8764 (mp) REVERT: D 4836 GLN cc_start: 0.9155 (OUTLIER) cc_final: 0.8358 (mt0) REVERT: D 4839 MET cc_start: 0.9213 (mmm) cc_final: 0.8955 (mtp) REVERT: D 4869 GLU cc_start: 0.9155 (OUTLIER) cc_final: 0.8358 (tm-30) REVERT: D 4874 MET cc_start: 0.9329 (OUTLIER) cc_final: 0.8269 (mmm) REVERT: D 4948 GLU cc_start: 0.8810 (OUTLIER) cc_final: 0.8144 (mp0) outliers start: 2236 outliers final: 1793 residues processed: 2830 average time/residue: 0.8869 time to fit residues: 4433.8101 Evaluate side-chains 2987 residues out of total 10876 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2169 poor density : 818 time to evaluate : 8.731 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 13 PHE Chi-restraints excluded: chain A residue 18 ASP Chi-restraints excluded: chain A residue 24 CYS Chi-restraints excluded: chain A residue 25 SER 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 47 CYS Chi-restraints excluded: chain A residue 54 ASN Chi-restraints excluded: chain A residue 58 VAL Chi-restraints excluded: chain A residue 66 CYS Chi-restraints excluded: chain A residue 68 THR Chi-restraints excluded: chain A residue 75 VAL Chi-restraints excluded: chain A residue 78 LEU Chi-restraints excluded: chain A residue 81 MET Chi-restraints excluded: chain A residue 82 LEU Chi-restraints excluded: chain A residue 99 ARG Chi-restraints excluded: chain A residue 109 LEU Chi-restraints excluded: chain A residue 115 ARG Chi-restraints excluded: chain A residue 118 LEU Chi-restraints excluded: chain A residue 119 SER Chi-restraints excluded: chain A residue 120 CYS Chi-restraints excluded: chain A residue 125 ARG Chi-restraints excluded: chain A residue 128 THR Chi-restraints excluded: chain A residue 129 ASP 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 146 CYS Chi-restraints excluded: chain A residue 149 THR Chi-restraints excluded: chain A residue 156 GLN Chi-restraints excluded: chain A residue 167 ASP Chi-restraints excluded: chain A residue 169 LEU Chi-restraints excluded: chain A residue 184 THR Chi-restraints excluded: chain A residue 188 GLU Chi-restraints excluded: chain A residue 189 LEU Chi-restraints excluded: chain A residue 190 GLN Chi-restraints excluded: chain A residue 197 GLN Chi-restraints excluded: chain A residue 203 ASN Chi-restraints excluded: chain A residue 205 ILE Chi-restraints excluded: chain A residue 210 GLU Chi-restraints excluded: chain A residue 214 VAL Chi-restraints excluded: chain A residue 215 THR Chi-restraints excluded: chain A residue 218 HIS Chi-restraints excluded: chain A residue 220 LEU Chi-restraints excluded: chain A residue 232 THR Chi-restraints excluded: chain A residue 237 ASP Chi-restraints excluded: chain A residue 253 CYS Chi-restraints excluded: chain A residue 255 HIS Chi-restraints excluded: chain A residue 257 ARG Chi-restraints excluded: chain A residue 258 SER Chi-restraints excluded: chain A residue 264 PRO Chi-restraints excluded: chain A residue 266 ARG Chi-restraints excluded: chain A residue 268 SER Chi-restraints excluded: chain A residue 272 SER Chi-restraints excluded: chain A residue 276 TRP Chi-restraints excluded: chain A residue 281 ARG Chi-restraints excluded: chain A residue 286 THR Chi-restraints excluded: chain A residue 290 TYR Chi-restraints excluded: chain A residue 291 LEU Chi-restraints excluded: chain A residue 301 VAL Chi-restraints excluded: chain A residue 303 ASP Chi-restraints excluded: chain A residue 305 CYS Chi-restraints excluded: chain A residue 309 THR Chi-restraints excluded: chain A residue 312 THR Chi-restraints excluded: chain A residue 313 SER Chi-restraints excluded: chain A residue 315 CYS Chi-restraints excluded: chain A residue 317 ARG Chi-restraints excluded: chain A residue 318 VAL Chi-restraints excluded: chain A residue 319 SER Chi-restraints excluded: chain A residue 321 GLU Chi-restraints excluded: chain A residue 322 LYS Chi-restraints excluded: chain A residue 334 MET Chi-restraints excluded: chain A residue 339 ILE Chi-restraints excluded: chain A residue 346 CYS Chi-restraints excluded: chain A residue 348 VAL Chi-restraints excluded: chain A residue 353 SER Chi-restraints excluded: chain A residue 358 THR Chi-restraints excluded: chain A residue 359 TYR Chi-restraints excluded: chain A residue 363 ASP Chi-restraints excluded: chain A residue 377 ILE Chi-restraints excluded: chain A residue 386 ASP Chi-restraints excluded: chain A residue 389 PHE Chi-restraints excluded: chain A residue 392 ARG Chi-restraints excluded: chain A residue 397 GLU Chi-restraints excluded: chain A residue 404 ILE Chi-restraints excluded: chain A residue 405 HIS Chi-restraints excluded: chain A residue 407 THR Chi-restraints excluded: chain A residue 420 SER Chi-restraints excluded: chain A residue 441 VAL Chi-restraints excluded: chain A residue 442 ILE Chi-restraints excluded: chain A residue 447 ASP Chi-restraints excluded: chain A residue 448 LEU Chi-restraints excluded: chain A residue 456 SER Chi-restraints excluded: chain A residue 470 SER Chi-restraints excluded: chain A residue 473 ASN Chi-restraints excluded: chain A residue 477 LEU Chi-restraints excluded: chain A residue 479 GLN Chi-restraints excluded: chain A residue 481 GLU Chi-restraints excluded: chain A residue 487 VAL Chi-restraints excluded: chain A residue 494 LEU Chi-restraints excluded: chain A residue 495 ASN Chi-restraints excluded: chain A residue 496 VAL Chi-restraints excluded: chain A residue 505 GLU Chi-restraints excluded: chain A residue 510 GLU Chi-restraints excluded: chain A residue 521 LEU Chi-restraints excluded: chain A residue 528 SER 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 540 PHE Chi-restraints excluded: chain A residue 545 ASP Chi-restraints excluded: chain A residue 549 SER Chi-restraints excluded: chain A residue 560 ILE Chi-restraints excluded: chain A residue 569 ILE Chi-restraints excluded: chain A residue 575 LEU Chi-restraints excluded: chain A residue 577 ILE Chi-restraints excluded: chain A residue 578 ILE Chi-restraints excluded: chain A residue 580 GLU Chi-restraints excluded: chain A residue 587 ILE Chi-restraints excluded: chain A residue 605 SER Chi-restraints excluded: chain A residue 612 VAL Chi-restraints excluded: chain A residue 621 ILE Chi-restraints excluded: chain A residue 625 LEU Chi-restraints excluded: chain A residue 629 ARG Chi-restraints excluded: chain A residue 637 LEU Chi-restraints excluded: chain A residue 652 ARG Chi-restraints excluded: chain A residue 657 THR Chi-restraints excluded: chain A residue 659 TYR Chi-restraints excluded: chain A residue 663 TYR Chi-restraints excluded: chain A residue 666 VAL Chi-restraints excluded: chain A residue 667 MET Chi-restraints excluded: chain A residue 668 VAL Chi-restraints excluded: chain A residue 672 VAL Chi-restraints excluded: chain A residue 675 LEU 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 707 VAL Chi-restraints excluded: chain A residue 709 ASP Chi-restraints excluded: chain A residue 710 ASP Chi-restraints excluded: chain A residue 721 LEU Chi-restraints excluded: chain A residue 723 THR Chi-restraints excluded: chain A residue 735 GLN Chi-restraints excluded: chain A residue 751 SER Chi-restraints excluded: chain A residue 752 VAL Chi-restraints excluded: chain A residue 755 ILE Chi-restraints excluded: chain A residue 756 SER Chi-restraints excluded: chain A residue 758 ARG Chi-restraints excluded: chain A residue 760 ASN Chi-restraints excluded: chain A residue 768 PHE Chi-restraints excluded: chain A residue 773 LEU Chi-restraints excluded: chain A residue 778 PHE Chi-restraints excluded: chain A residue 781 VAL Chi-restraints excluded: chain A residue 789 VAL Chi-restraints excluded: chain A residue 800 PHE Chi-restraints excluded: chain A residue 801 LYS Chi-restraints excluded: chain A residue 802 PHE Chi-restraints excluded: chain A residue 803 LEU Chi-restraints excluded: chain A residue 822 ARG Chi-restraints excluded: chain A residue 823 LEU Chi-restraints excluded: chain A residue 826 ILE Chi-restraints excluded: chain A residue 831 ARG Chi-restraints excluded: chain A residue 840 VAL Chi-restraints excluded: chain A residue 870 ILE Chi-restraints excluded: chain A residue 921 ASN Chi-restraints excluded: chain A residue 925 SER Chi-restraints excluded: chain A residue 932 LEU Chi-restraints excluded: chain A residue 933 LEU Chi-restraints excluded: chain A residue 961 MET Chi-restraints excluded: chain A residue 970 LEU Chi-restraints excluded: chain A residue 974 HIS Chi-restraints excluded: chain A residue 978 THR Chi-restraints excluded: chain A residue 1029 GLU Chi-restraints excluded: chain A residue 1034 SER Chi-restraints excluded: chain A residue 1043 VAL Chi-restraints excluded: chain A residue 1072 VAL Chi-restraints excluded: chain A residue 1074 ILE Chi-restraints excluded: chain A residue 1085 SER 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 1106 ARG Chi-restraints excluded: chain A residue 1109 LEU Chi-restraints excluded: chain A residue 1113 VAL Chi-restraints excluded: chain A residue 1114 GLU Chi-restraints excluded: chain A residue 1123 VAL Chi-restraints excluded: chain A residue 1127 HIS Chi-restraints excluded: chain A residue 1128 ARG Chi-restraints excluded: chain A residue 1136 SER Chi-restraints excluded: chain A residue 1137 GLU Chi-restraints excluded: chain A residue 1143 TRP Chi-restraints excluded: chain A residue 1145 SER Chi-restraints excluded: chain A residue 1147 ASP Chi-restraints excluded: chain A residue 1151 CYS Chi-restraints excluded: chain A residue 1153 ILE Chi-restraints excluded: chain A residue 1154 ASP Chi-restraints excluded: chain A residue 1155 LEU Chi-restraints excluded: chain A residue 1163 THR Chi-restraints excluded: chain A residue 1164 LEU Chi-restraints excluded: chain A residue 1168 VAL Chi-restraints excluded: chain A residue 1171 SER Chi-restraints excluded: chain A residue 1173 SER Chi-restraints excluded: chain A residue 1179 PHE Chi-restraints excluded: chain A residue 1190 PRO Chi-restraints excluded: chain A residue 1192 CYS Chi-restraints excluded: chain A residue 1193 SER Chi-restraints excluded: chain A residue 1198 GLN Chi-restraints excluded: chain A residue 1202 LEU Chi-restraints excluded: chain A residue 1204 LEU Chi-restraints excluded: chain A residue 1208 VAL Chi-restraints excluded: chain A residue 1216 ILE Chi-restraints excluded: chain A residue 1219 LEU Chi-restraints excluded: chain A residue 1226 PHE Chi-restraints excluded: chain A residue 1234 VAL Chi-restraints excluded: chain A residue 1238 PHE Chi-restraints excluded: chain A residue 1241 SER 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 1259 ARG Chi-restraints excluded: chain A residue 1269 CYS Chi-restraints excluded: chain A residue 1271 ARG Chi-restraints excluded: chain A residue 1272 LEU Chi-restraints excluded: chain A residue 1282 SER Chi-restraints excluded: chain A residue 1283 LEU Chi-restraints excluded: chain A residue 1287 LEU Chi-restraints excluded: chain A residue 1293 LEU Chi-restraints excluded: chain A residue 1431 THR Chi-restraints excluded: chain A residue 1437 VAL Chi-restraints excluded: chain A residue 1439 VAL Chi-restraints excluded: chain A residue 1444 GLU Chi-restraints excluded: chain A residue 1453 VAL Chi-restraints excluded: chain A residue 1457 TYR Chi-restraints excluded: chain A residue 1460 HIS Chi-restraints excluded: chain A residue 1462 MET Chi-restraints excluded: chain A residue 1466 LEU Chi-restraints excluded: chain A residue 1467 SER Chi-restraints excluded: chain A residue 1468 LYS Chi-restraints excluded: chain A residue 1469 VAL Chi-restraints excluded: chain A residue 1483 VAL Chi-restraints excluded: chain A residue 1485 SER Chi-restraints excluded: chain A residue 1486 SER Chi-restraints excluded: chain A residue 1576 SER Chi-restraints excluded: chain A residue 1580 PHE Chi-restraints excluded: chain A residue 1595 LEU Chi-restraints excluded: chain A residue 1597 VAL Chi-restraints excluded: chain A residue 1599 MET Chi-restraints excluded: chain A residue 1600 LEU Chi-restraints excluded: chain A residue 1603 VAL Chi-restraints excluded: chain A residue 1607 ARG Chi-restraints excluded: chain A residue 1610 ASN Chi-restraints excluded: chain A residue 1632 ASP Chi-restraints excluded: chain A residue 1634 LEU Chi-restraints excluded: chain A residue 1636 MET Chi-restraints excluded: chain A residue 1641 ILE Chi-restraints excluded: chain A residue 1642 PRO Chi-restraints excluded: chain A residue 1647 CYS 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 1671 ARG Chi-restraints excluded: chain A residue 1673 VAL Chi-restraints excluded: chain A residue 1679 ASN Chi-restraints excluded: chain A residue 1685 LEU Chi-restraints excluded: chain A residue 1687 SER Chi-restraints excluded: chain A residue 1698 LEU Chi-restraints excluded: chain A residue 1699 GLU Chi-restraints excluded: chain A residue 1700 ASP Chi-restraints excluded: chain A residue 1704 PRO Chi-restraints excluded: chain A residue 1706 PRO Chi-restraints excluded: chain A residue 1717 SER Chi-restraints excluded: chain A residue 1720 LEU Chi-restraints excluded: chain A residue 1733 GLU Chi-restraints excluded: chain A residue 1736 VAL Chi-restraints excluded: chain A residue 1738 LEU Chi-restraints excluded: chain A residue 1739 THR Chi-restraints excluded: chain A residue 1760 HIS Chi-restraints excluded: chain A residue 1770 SER Chi-restraints excluded: chain A residue 1771 LEU Chi-restraints excluded: chain A residue 1772 ARG Chi-restraints excluded: chain A residue 1778 SER Chi-restraints excluded: chain A residue 1802 ILE Chi-restraints excluded: chain A residue 1812 LEU Chi-restraints excluded: chain A residue 1815 LEU Chi-restraints excluded: chain A residue 1830 VAL Chi-restraints excluded: chain A residue 1834 VAL Chi-restraints excluded: chain A residue 1835 GLU Chi-restraints excluded: chain A residue 1837 GLN Chi-restraints excluded: chain A residue 1849 LEU Chi-restraints excluded: chain A residue 1857 GLU Chi-restraints excluded: chain A residue 1858 ASP Chi-restraints excluded: chain A residue 1869 GLU Chi-restraints excluded: chain A residue 1872 THR Chi-restraints excluded: chain A residue 1873 GLU Chi-restraints excluded: chain A residue 1929 MET Chi-restraints excluded: chain A residue 1930 LYS Chi-restraints excluded: chain A residue 1934 SER Chi-restraints excluded: chain A residue 1955 VAL Chi-restraints excluded: chain A residue 1961 PHE Chi-restraints excluded: chain A residue 1966 VAL Chi-restraints excluded: chain A residue 1969 LEU Chi-restraints excluded: chain A residue 1981 MET Chi-restraints excluded: chain A residue 1987 SER Chi-restraints excluded: chain A residue 1996 ARG Chi-restraints excluded: chain A residue 2014 ASP Chi-restraints excluded: chain A residue 2020 ASP Chi-restraints excluded: chain A residue 2027 ILE Chi-restraints excluded: chain A residue 2037 ASP Chi-restraints excluded: chain A residue 2039 LEU Chi-restraints excluded: chain A residue 2046 LEU Chi-restraints excluded: chain A residue 2093 SER Chi-restraints excluded: chain A residue 2094 LEU Chi-restraints excluded: chain A residue 2095 GLN Chi-restraints excluded: chain A residue 2097 LEU Chi-restraints excluded: chain A residue 2098 VAL Chi-restraints excluded: chain A residue 2111 VAL Chi-restraints excluded: chain A residue 2120 MET Chi-restraints excluded: chain A residue 2122 SER Chi-restraints excluded: chain A residue 2131 LEU Chi-restraints excluded: chain A residue 2136 ARG 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 2156 LEU Chi-restraints excluded: chain A residue 2161 GLN Chi-restraints excluded: chain A residue 2166 LEU Chi-restraints excluded: chain A residue 2167 ILE Chi-restraints excluded: chain A residue 2169 GLN Chi-restraints excluded: chain A residue 2170 MET Chi-restraints excluded: chain A residue 2175 GLU Chi-restraints excluded: chain A residue 2186 MET Chi-restraints excluded: chain A residue 2187 ASN Chi-restraints excluded: chain A residue 2197 LEU Chi-restraints excluded: chain A residue 2199 ARG Chi-restraints excluded: chain A residue 2203 MET Chi-restraints excluded: chain A residue 2221 LYS Chi-restraints excluded: chain A residue 2225 PHE Chi-restraints excluded: chain A residue 2227 LYS Chi-restraints excluded: chain A residue 2228 MET Chi-restraints excluded: chain A residue 2229 VAL Chi-restraints excluded: chain A residue 2230 THR Chi-restraints excluded: chain A residue 2231 SER Chi-restraints excluded: chain A residue 2238 TYR Chi-restraints excluded: chain A residue 2241 ARG Chi-restraints excluded: chain A residue 2242 ILE Chi-restraints excluded: chain A residue 2244 ARG Chi-restraints excluded: chain A residue 2245 GLN Chi-restraints excluded: chain A residue 2249 SER Chi-restraints excluded: chain A residue 2252 ASP Chi-restraints excluded: chain A residue 2259 GLU Chi-restraints excluded: chain A residue 2270 SER Chi-restraints excluded: chain A residue 2274 ASP Chi-restraints excluded: chain A residue 2275 VAL Chi-restraints excluded: chain A residue 2280 VAL Chi-restraints excluded: chain A residue 2281 ILE Chi-restraints excluded: chain A residue 2284 ASN Chi-restraints excluded: chain A residue 2290 LEU Chi-restraints excluded: chain A residue 2293 GLN Chi-restraints excluded: chain A residue 2294 ASP Chi-restraints excluded: chain A residue 2295 LEU Chi-restraints excluded: chain A residue 2296 GLU Chi-restraints excluded: chain A residue 2299 VAL Chi-restraints excluded: chain A residue 2300 SER Chi-restraints excluded: chain A residue 2309 SER Chi-restraints excluded: chain A residue 2312 MET Chi-restraints excluded: chain A residue 2316 LYS Chi-restraints excluded: chain A residue 2324 ASN Chi-restraints excluded: chain A residue 2330 ARG Chi-restraints excluded: chain A residue 2333 ASP Chi-restraints excluded: chain A residue 2336 ARG Chi-restraints excluded: chain A residue 2341 VAL Chi-restraints excluded: chain A residue 2345 SER Chi-restraints excluded: chain A residue 2346 VAL Chi-restraints excluded: chain A residue 2352 VAL Chi-restraints excluded: chain A residue 2353 VAL Chi-restraints excluded: chain A residue 2368 LEU Chi-restraints excluded: chain A residue 2387 SER Chi-restraints excluded: chain A residue 2416 VAL Chi-restraints excluded: chain A residue 2423 MET Chi-restraints excluded: chain A residue 2430 ILE Chi-restraints excluded: chain A residue 2442 LEU Chi-restraints excluded: chain A residue 2454 ARG Chi-restraints excluded: chain A residue 2458 ARG Chi-restraints excluded: chain A residue 2460 LEU Chi-restraints excluded: chain A residue 2461 VAL Chi-restraints excluded: chain A residue 2479 LEU Chi-restraints excluded: chain A residue 3644 LEU Chi-restraints excluded: chain A residue 3652 MET Chi-restraints excluded: chain A residue 3656 SER Chi-restraints excluded: chain A residue 3661 TRP Chi-restraints excluded: chain A residue 3662 ILE Chi-restraints excluded: chain A residue 3663 LEU Chi-restraints excluded: chain A residue 3669 PHE Chi-restraints excluded: chain A residue 3670 GLU Chi-restraints excluded: chain A residue 3678 SER Chi-restraints excluded: chain A residue 3694 LYS Chi-restraints excluded: chain A residue 3696 ASP Chi-restraints excluded: chain A residue 3707 ARG Chi-restraints excluded: chain A residue 3711 THR Chi-restraints excluded: chain A residue 3719 ASP Chi-restraints excluded: chain A residue 3732 SER Chi-restraints excluded: chain A residue 3752 SER Chi-restraints excluded: chain A residue 3754 GLU Chi-restraints excluded: chain A residue 3756 LYS Chi-restraints excluded: chain A residue 3764 LEU Chi-restraints excluded: chain A residue 3772 THR Chi-restraints excluded: chain A residue 3779 VAL Chi-restraints excluded: chain A residue 3784 SER Chi-restraints excluded: chain A residue 3787 LYS Chi-restraints excluded: chain A residue 3793 MET Chi-restraints excluded: chain A residue 3795 SER Chi-restraints excluded: chain A residue 3803 SER Chi-restraints excluded: chain A residue 3822 ASP Chi-restraints excluded: chain A residue 3826 VAL Chi-restraints excluded: chain A residue 3837 GLN Chi-restraints excluded: chain A residue 3869 GLN Chi-restraints excluded: chain A residue 3873 LYS Chi-restraints excluded: chain A residue 3875 MET Chi-restraints excluded: chain A residue 3881 THR Chi-restraints excluded: chain A residue 3893 GLU Chi-restraints excluded: chain A residue 3904 ARG Chi-restraints excluded: chain A residue 3905 THR Chi-restraints excluded: chain A residue 3907 THR Chi-restraints excluded: chain A residue 3916 ILE Chi-restraints excluded: chain A residue 3924 LEU Chi-restraints excluded: chain A residue 3929 SER Chi-restraints excluded: chain A residue 3930 ILE Chi-restraints excluded: chain A residue 3933 PHE Chi-restraints excluded: chain A residue 3938 SER Chi-restraints excluded: chain A residue 3942 VAL Chi-restraints excluded: chain A residue 3945 GLU Chi-restraints excluded: chain A residue 3952 SER Chi-restraints excluded: chain A residue 3967 GLU Chi-restraints excluded: chain A residue 3969 ILE Chi-restraints excluded: chain A residue 3970 GLN Chi-restraints excluded: chain A residue 3995 VAL Chi-restraints excluded: chain A residue 4005 GLN Chi-restraints excluded: chain A residue 4007 SER Chi-restraints excluded: chain A residue 4008 SER Chi-restraints excluded: chain A residue 4015 GLU Chi-restraints excluded: chain A residue 4018 ASP Chi-restraints excluded: chain A residue 4019 LEU Chi-restraints excluded: chain A residue 4026 MET 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 4048 LEU Chi-restraints excluded: chain A residue 4049 VAL Chi-restraints excluded: chain A residue 4051 SER Chi-restraints excluded: chain A residue 4052 SER Chi-restraints excluded: chain A residue 4053 SER Chi-restraints excluded: chain A residue 4055 VAL Chi-restraints excluded: chain A residue 4064 MET Chi-restraints excluded: chain A residue 4067 LYS Chi-restraints excluded: chain A residue 4072 VAL Chi-restraints excluded: chain A residue 4100 GLN Chi-restraints excluded: chain A residue 4102 GLN Chi-restraints excluded: chain A residue 4107 GLU Chi-restraints excluded: chain A residue 4109 GLN Chi-restraints excluded: chain A residue 4110 PHE Chi-restraints excluded: chain A residue 4112 LEU Chi-restraints excluded: chain A residue 4113 SER Chi-restraints excluded: chain A residue 4115 SER Chi-restraints excluded: chain A residue 4120 ASN Chi-restraints excluded: chain A residue 4123 ILE Chi-restraints excluded: chain A residue 4125 PHE Chi-restraints excluded: chain A residue 4127 GLU Chi-restraints excluded: chain A residue 4135 PRO Chi-restraints excluded: chain A residue 4139 ILE Chi-restraints excluded: chain A residue 4145 VAL Chi-restraints excluded: chain A residue 4154 VAL Chi-restraints excluded: chain A residue 4159 ARG Chi-restraints excluded: chain A residue 4170 ILE Chi-restraints excluded: chain A residue 4172 GLU Chi-restraints excluded: chain A residue 4176 PRO Chi-restraints excluded: chain A residue 4178 LEU Chi-restraints excluded: chain A residue 4184 MET Chi-restraints excluded: chain A residue 4196 GLU Chi-restraints excluded: chain A residue 4200 THR Chi-restraints excluded: chain A residue 4220 ASP Chi-restraints excluded: chain A residue 4221 VAL Chi-restraints excluded: chain A residue 4232 GLU Chi-restraints excluded: chain A residue 4242 ILE Chi-restraints excluded: chain A residue 4244 GLU Chi-restraints excluded: chain A residue 4251 ILE Chi-restraints excluded: chain A residue 4546 VAL Chi-restraints excluded: chain A residue 4552 LEU Chi-restraints excluded: chain A residue 4558 ASN Chi-restraints excluded: chain A residue 4565 LEU Chi-restraints excluded: chain A residue 4582 VAL Chi-restraints excluded: chain A residue 4632 LEU Chi-restraints excluded: chain A residue 4634 GLU Chi-restraints excluded: chain A residue 4645 CYS Chi-restraints excluded: chain A residue 4647 SER Chi-restraints excluded: chain A residue 4648 LEU Chi-restraints excluded: chain A residue 4653 VAL Chi-restraints excluded: chain A residue 4662 ASN Chi-restraints excluded: chain A residue 4667 PRO Chi-restraints excluded: chain A residue 4669 VAL Chi-restraints excluded: chain A residue 4684 ASP Chi-restraints excluded: chain A residue 4688 ILE Chi-restraints excluded: chain A residue 4689 THR Chi-restraints excluded: chain A residue 4690 GLU Chi-restraints excluded: chain A residue 4694 ASP Chi-restraints excluded: chain A residue 4695 ASP Chi-restraints excluded: chain A residue 4698 LYS Chi-restraints excluded: chain A residue 4704 LEU Chi-restraints excluded: chain A residue 4707 ASN Chi-restraints excluded: chain A residue 4710 SER Chi-restraints excluded: chain A residue 4713 SER Chi-restraints excluded: chain A residue 4718 LYS Chi-restraints excluded: chain A residue 4722 ARG Chi-restraints excluded: chain A residue 4737 ILE Chi-restraints excluded: chain A residue 4741 LEU Chi-restraints excluded: chain A residue 4743 MET Chi-restraints excluded: chain A residue 4745 LEU Chi-restraints excluded: chain A residue 4766 THR Chi-restraints excluded: chain A residue 4788 SER Chi-restraints excluded: chain A residue 4796 MET Chi-restraints excluded: chain A residue 4816 ILE Chi-restraints excluded: chain A residue 4818 MET Chi-restraints excluded: chain A residue 4825 THR Chi-restraints excluded: chain A residue 4836 GLN Chi-restraints excluded: chain A residue 4838 VAL Chi-restraints excluded: chain A residue 4850 LEU Chi-restraints excluded: chain A residue 4879 MET Chi-restraints excluded: chain A residue 4880 MET Chi-restraints excluded: chain A residue 4881 THR Chi-restraints excluded: chain A residue 4901 ILE Chi-restraints excluded: chain A residue 4918 ILE Chi-restraints excluded: chain A residue 4919 THR Chi-restraints excluded: chain A residue 4948 GLU Chi-restraints excluded: chain A residue 4952 GLU Chi-restraints excluded: chain A residue 4954 MET Chi-restraints excluded: chain A residue 4956 THR Chi-restraints excluded: chain A residue 4957 LYS Chi-restraints excluded: chain A residue 4961 CYS Chi-restraints excluded: chain A residue 4965 SER Chi-restraints excluded: chain A residue 4966 ASP Chi-restraints excluded: chain A residue 4980 LEU Chi-restraints excluded: chain A residue 4992 LEU Chi-restraints excluded: chain A residue 5002 GLU Chi-restraints excluded: chain A residue 5008 SER Chi-restraints excluded: chain A residue 5023 PRO Chi-restraints excluded: chain B residue 13 PHE Chi-restraints excluded: chain B residue 18 ASP Chi-restraints excluded: chain B residue 23 GLN Chi-restraints excluded: chain B residue 24 CYS Chi-restraints excluded: chain B residue 25 SER Chi-restraints excluded: chain B residue 29 LEU Chi-restraints excluded: chain B residue 32 GLN Chi-restraints excluded: chain B residue 33 LEU Chi-restraints excluded: chain B residue 35 LEU Chi-restraints excluded: chain B residue 47 CYS Chi-restraints excluded: chain B residue 54 ASN Chi-restraints excluded: chain B residue 66 CYS Chi-restraints excluded: chain B residue 68 THR Chi-restraints excluded: chain B residue 75 VAL Chi-restraints excluded: chain B residue 78 LEU Chi-restraints excluded: chain B residue 81 MET Chi-restraints excluded: chain B residue 82 LEU Chi-restraints excluded: chain B residue 99 ARG Chi-restraints excluded: chain B residue 109 LEU Chi-restraints excluded: chain B residue 115 ARG Chi-restraints excluded: chain B residue 118 LEU Chi-restraints excluded: chain B residue 119 SER Chi-restraints excluded: chain B residue 120 CYS Chi-restraints excluded: chain B residue 125 ARG Chi-restraints excluded: chain B residue 128 THR Chi-restraints excluded: chain B residue 129 ASP 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 146 CYS Chi-restraints excluded: chain B residue 149 THR Chi-restraints excluded: chain B residue 150 MET Chi-restraints excluded: chain B residue 156 GLN Chi-restraints excluded: chain B residue 167 ASP Chi-restraints excluded: chain B residue 169 LEU Chi-restraints excluded: chain B residue 184 THR Chi-restraints excluded: chain B residue 188 GLU Chi-restraints excluded: chain B residue 189 LEU Chi-restraints excluded: chain B residue 190 GLN Chi-restraints excluded: chain B residue 197 GLN Chi-restraints excluded: chain B residue 202 MET Chi-restraints excluded: chain B residue 203 ASN Chi-restraints excluded: chain B residue 205 ILE Chi-restraints excluded: chain B residue 210 GLU Chi-restraints excluded: chain B residue 214 VAL Chi-restraints excluded: chain B residue 215 THR Chi-restraints excluded: chain B residue 218 HIS Chi-restraints excluded: chain B residue 220 LEU Chi-restraints excluded: chain B residue 232 THR Chi-restraints excluded: chain B residue 237 ASP Chi-restraints excluded: chain B residue 253 CYS Chi-restraints excluded: chain B residue 255 HIS Chi-restraints excluded: chain B residue 257 ARG Chi-restraints excluded: chain B residue 264 PRO Chi-restraints excluded: chain B residue 265 LEU Chi-restraints excluded: chain B residue 266 ARG Chi-restraints excluded: chain B residue 268 SER Chi-restraints excluded: chain B residue 272 SER Chi-restraints excluded: chain B residue 281 ARG Chi-restraints excluded: chain B residue 285 VAL Chi-restraints excluded: chain B residue 287 THR Chi-restraints excluded: chain B residue 290 TYR Chi-restraints excluded: chain B residue 291 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 305 CYS Chi-restraints excluded: chain B residue 309 THR Chi-restraints excluded: chain B residue 310 LYS Chi-restraints excluded: chain B residue 312 THR Chi-restraints excluded: chain B residue 315 CYS Chi-restraints excluded: chain B residue 317 ARG Chi-restraints excluded: chain B residue 318 VAL Chi-restraints excluded: chain B residue 321 GLU Chi-restraints excluded: chain B residue 334 MET Chi-restraints excluded: chain B residue 339 ILE Chi-restraints excluded: chain B residue 346 CYS Chi-restraints excluded: chain B residue 348 VAL Chi-restraints excluded: chain B residue 353 SER Chi-restraints excluded: chain B residue 358 THR Chi-restraints excluded: chain B residue 359 TYR Chi-restraints excluded: chain B residue 363 ASP Chi-restraints excluded: chain B residue 377 ILE Chi-restraints excluded: chain B residue 384 MET Chi-restraints excluded: chain B residue 386 ASP Chi-restraints excluded: chain B residue 389 PHE Chi-restraints excluded: chain B residue 392 ARG Chi-restraints excluded: chain B residue 396 GLU Chi-restraints excluded: chain B residue 397 GLU Chi-restraints excluded: chain B residue 404 ILE Chi-restraints excluded: chain B residue 405 HIS Chi-restraints excluded: chain B residue 407 THR Chi-restraints excluded: chain B residue 420 SER Chi-restraints excluded: chain B residue 441 VAL Chi-restraints excluded: chain B residue 442 ILE Chi-restraints excluded: chain B residue 447 ASP Chi-restraints excluded: chain B residue 448 LEU Chi-restraints excluded: chain B residue 456 SER Chi-restraints excluded: chain B residue 470 SER Chi-restraints excluded: chain B residue 473 ASN Chi-restraints excluded: chain B residue 479 GLN Chi-restraints excluded: chain B residue 487 VAL Chi-restraints excluded: chain B residue 494 LEU Chi-restraints excluded: chain B residue 495 ASN Chi-restraints excluded: chain B residue 496 VAL Chi-restraints excluded: chain B residue 503 PHE Chi-restraints excluded: chain B residue 505 GLU Chi-restraints excluded: chain B residue 510 GLU Chi-restraints excluded: chain B residue 521 LEU Chi-restraints excluded: chain B residue 528 SER Chi-restraints excluded: chain B residue 529 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 540 PHE Chi-restraints excluded: chain B residue 545 ASP Chi-restraints excluded: chain B residue 549 SER Chi-restraints excluded: chain B residue 560 ILE Chi-restraints excluded: chain B residue 569 ILE Chi-restraints excluded: chain B residue 575 LEU Chi-restraints excluded: chain B residue 577 ILE Chi-restraints excluded: chain B residue 578 ILE Chi-restraints excluded: chain B residue 580 GLU Chi-restraints excluded: chain B residue 587 ILE Chi-restraints excluded: chain B residue 612 VAL Chi-restraints excluded: chain B residue 621 ILE Chi-restraints excluded: chain B residue 625 LEU Chi-restraints excluded: chain B residue 629 ARG Chi-restraints excluded: chain B residue 637 LEU Chi-restraints excluded: chain B residue 645 ARG Chi-restraints excluded: chain B residue 657 THR Chi-restraints excluded: chain B residue 659 TYR Chi-restraints excluded: chain B residue 663 TYR Chi-restraints excluded: chain B residue 666 VAL Chi-restraints excluded: chain B residue 667 MET Chi-restraints excluded: chain B residue 668 VAL Chi-restraints excluded: chain B residue 675 LEU 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 707 VAL Chi-restraints excluded: chain B residue 709 ASP Chi-restraints excluded: chain B residue 710 ASP Chi-restraints excluded: chain B residue 714 TYR Chi-restraints excluded: chain B residue 723 THR Chi-restraints excluded: chain B residue 735 GLN Chi-restraints excluded: chain B residue 751 SER Chi-restraints excluded: chain B residue 752 VAL Chi-restraints excluded: chain B residue 755 ILE Chi-restraints excluded: chain B residue 756 SER Chi-restraints excluded: chain B residue 760 ASN Chi-restraints excluded: chain B residue 768 PHE Chi-restraints excluded: chain B residue 773 LEU Chi-restraints excluded: chain B residue 781 VAL Chi-restraints excluded: chain B residue 788 LYS Chi-restraints excluded: chain B residue 800 PHE Chi-restraints excluded: chain B residue 801 LYS Chi-restraints excluded: chain B residue 802 PHE Chi-restraints excluded: chain B residue 803 LEU Chi-restraints excluded: chain B residue 822 ARG Chi-restraints excluded: chain B residue 823 LEU Chi-restraints excluded: chain B residue 826 ILE Chi-restraints excluded: chain B residue 831 ARG Chi-restraints excluded: chain B residue 840 VAL Chi-restraints excluded: chain B residue 921 ASN Chi-restraints excluded: chain B residue 925 SER Chi-restraints excluded: chain B residue 932 LEU Chi-restraints excluded: chain B residue 933 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 993 HIS Chi-restraints excluded: chain B residue 1043 VAL Chi-restraints excluded: chain B residue 1072 VAL Chi-restraints excluded: chain B residue 1074 ILE Chi-restraints excluded: chain B residue 1085 SER 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 1106 ARG Chi-restraints excluded: chain B residue 1109 LEU Chi-restraints excluded: chain B residue 1113 VAL Chi-restraints excluded: chain B residue 1114 GLU Chi-restraints excluded: chain B residue 1123 VAL Chi-restraints excluded: chain B residue 1127 HIS Chi-restraints excluded: chain B residue 1131 ARG Chi-restraints excluded: chain B residue 1136 SER Chi-restraints excluded: chain B residue 1137 GLU Chi-restraints excluded: chain B residue 1143 TRP Chi-restraints excluded: chain B residue 1145 SER Chi-restraints excluded: chain B residue 1147 ASP Chi-restraints excluded: chain B residue 1151 CYS Chi-restraints excluded: chain B residue 1152 MET Chi-restraints excluded: chain B residue 1153 ILE Chi-restraints excluded: chain B residue 1154 ASP Chi-restraints excluded: chain B residue 1155 LEU Chi-restraints excluded: chain B residue 1163 THR Chi-restraints excluded: chain B residue 1164 LEU Chi-restraints excluded: chain B residue 1168 VAL Chi-restraints excluded: chain B residue 1169 LEU Chi-restraints excluded: chain B residue 1173 SER Chi-restraints excluded: chain B residue 1179 PHE Chi-restraints excluded: chain B residue 1182 ILE Chi-restraints excluded: chain B residue 1190 PRO Chi-restraints excluded: chain B residue 1192 CYS Chi-restraints excluded: chain B residue 1193 SER Chi-restraints excluded: chain B residue 1198 GLN Chi-restraints excluded: chain B residue 1202 LEU Chi-restraints excluded: chain B residue 1204 LEU Chi-restraints excluded: chain B residue 1208 VAL Chi-restraints excluded: chain B residue 1216 ILE Chi-restraints excluded: chain B residue 1219 LEU Chi-restraints excluded: chain B residue 1221 GLU Chi-restraints excluded: chain B residue 1226 PHE Chi-restraints excluded: chain B residue 1234 VAL Chi-restraints excluded: chain B residue 1238 PHE Chi-restraints excluded: chain B residue 1241 SER Chi-restraints excluded: chain B residue 1248 VAL Chi-restraints excluded: chain B residue 1251 GLU Chi-restraints excluded: chain B residue 1259 ARG Chi-restraints excluded: chain B residue 1269 CYS Chi-restraints excluded: chain B residue 1271 ARG Chi-restraints excluded: chain B residue 1272 LEU Chi-restraints excluded: chain B residue 1282 SER Chi-restraints excluded: chain B residue 1287 LEU Chi-restraints excluded: chain B residue 1431 THR Chi-restraints excluded: chain B residue 1437 VAL Chi-restraints excluded: chain B residue 1439 VAL Chi-restraints excluded: chain B residue 1444 GLU Chi-restraints excluded: chain B residue 1457 TYR Chi-restraints excluded: chain B residue 1460 HIS Chi-restraints excluded: chain B residue 1462 MET Chi-restraints excluded: chain B residue 1466 LEU Chi-restraints excluded: chain B residue 1467 SER Chi-restraints excluded: chain B residue 1468 LYS Chi-restraints excluded: chain B residue 1469 VAL Chi-restraints excluded: chain B residue 1485 SER Chi-restraints excluded: chain B residue 1486 SER Chi-restraints excluded: chain B residue 1489 CYS Chi-restraints excluded: chain B residue 1576 SER Chi-restraints excluded: chain B residue 1580 PHE Chi-restraints excluded: chain B residue 1581 LEU Chi-restraints excluded: chain B residue 1583 GLU Chi-restraints excluded: chain B residue 1585 LYS Chi-restraints excluded: chain B residue 1595 LEU Chi-restraints excluded: chain B residue 1597 VAL Chi-restraints excluded: chain B residue 1599 MET Chi-restraints excluded: chain B residue 1600 LEU Chi-restraints excluded: chain B residue 1603 VAL Chi-restraints excluded: chain B residue 1607 ARG Chi-restraints excluded: chain B residue 1610 ASN Chi-restraints excluded: chain B residue 1630 CYS Chi-restraints excluded: chain B residue 1634 LEU Chi-restraints excluded: chain B residue 1636 MET Chi-restraints excluded: chain B residue 1641 ILE Chi-restraints excluded: chain B residue 1642 PRO Chi-restraints excluded: chain B residue 1647 CYS Chi-restraints excluded: chain B residue 1657 LEU Chi-restraints excluded: chain B residue 1666 THR Chi-restraints excluded: chain B residue 1668 ARG Chi-restraints excluded: chain B residue 1671 ARG Chi-restraints excluded: chain B residue 1673 VAL Chi-restraints excluded: chain B residue 1679 ASN Chi-restraints excluded: chain B residue 1685 LEU Chi-restraints excluded: chain B residue 1687 SER Chi-restraints excluded: chain B residue 1689 VAL Chi-restraints excluded: chain B residue 1698 LEU Chi-restraints excluded: chain B residue 1699 GLU Chi-restraints excluded: chain B residue 1700 ASP Chi-restraints excluded: chain B residue 1704 PRO Chi-restraints excluded: chain B residue 1706 PRO Chi-restraints excluded: chain B residue 1717 SER Chi-restraints excluded: chain B residue 1720 LEU Chi-restraints excluded: chain B residue 1733 GLU Chi-restraints excluded: chain B residue 1736 VAL Chi-restraints excluded: chain B residue 1738 LEU Chi-restraints excluded: chain B residue 1739 THR Chi-restraints excluded: chain B residue 1759 ARG Chi-restraints excluded: chain B residue 1770 SER Chi-restraints excluded: chain B residue 1771 LEU 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 1802 ILE Chi-restraints excluded: chain B residue 1812 LEU Chi-restraints excluded: chain B residue 1815 LEU Chi-restraints excluded: chain B residue 1830 VAL Chi-restraints excluded: chain B residue 1834 VAL Chi-restraints excluded: chain B residue 1835 GLU Chi-restraints excluded: chain B residue 1837 GLN Chi-restraints excluded: chain B residue 1849 LEU Chi-restraints excluded: chain B residue 1857 GLU Chi-restraints excluded: chain B residue 1858 ASP Chi-restraints excluded: chain B residue 1863 LEU Chi-restraints excluded: chain B residue 1869 GLU Chi-restraints excluded: chain B residue 1870 VAL Chi-restraints excluded: chain B residue 1873 GLU Chi-restraints excluded: chain B residue 1929 MET Chi-restraints excluded: chain B residue 1934 SER Chi-restraints excluded: chain B residue 1955 VAL Chi-restraints excluded: chain B residue 1961 PHE Chi-restraints excluded: chain B residue 1966 VAL Chi-restraints excluded: chain B residue 1969 LEU Chi-restraints excluded: chain B residue 1981 MET Chi-restraints excluded: chain B residue 1985 THR Chi-restraints excluded: chain B residue 1993 ARG Chi-restraints excluded: chain B residue 1995 THR Chi-restraints excluded: chain B residue 1996 ARG Chi-restraints excluded: chain B residue 2020 ASP Chi-restraints excluded: chain B residue 2037 ASP Chi-restraints excluded: chain B residue 2090 LYS Chi-restraints excluded: chain B residue 2093 SER Chi-restraints excluded: chain B residue 2094 LEU Chi-restraints excluded: chain B residue 2095 GLN Chi-restraints excluded: chain B residue 2097 LEU Chi-restraints excluded: chain B residue 2098 VAL Chi-restraints excluded: chain B residue 2100 HIS Chi-restraints excluded: chain B residue 2111 VAL Chi-restraints excluded: chain B residue 2122 SER Chi-restraints excluded: chain B residue 2136 ARG 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 2152 THR Chi-restraints excluded: chain B residue 2156 LEU Chi-restraints excluded: chain B residue 2161 GLN Chi-restraints excluded: chain B residue 2166 LEU Chi-restraints excluded: chain B residue 2167 ILE Chi-restraints excluded: chain B residue 2169 GLN Chi-restraints excluded: chain B residue 2170 MET Chi-restraints excluded: chain B residue 2175 GLU Chi-restraints excluded: chain B residue 2186 MET Chi-restraints excluded: chain B residue 2187 ASN Chi-restraints excluded: chain B residue 2197 LEU Chi-restraints excluded: chain B residue 2199 ARG Chi-restraints excluded: chain B residue 2221 LYS Chi-restraints excluded: chain B residue 2225 PHE Chi-restraints excluded: chain B residue 2227 LYS Chi-restraints excluded: chain B residue 2228 MET Chi-restraints excluded: chain B residue 2229 VAL Chi-restraints excluded: chain B residue 2230 THR Chi-restraints excluded: chain B residue 2231 SER Chi-restraints excluded: chain B residue 2238 TYR Chi-restraints excluded: chain B residue 2241 ARG Chi-restraints excluded: chain B residue 2242 ILE Chi-restraints excluded: chain B residue 2244 ARG Chi-restraints excluded: chain B residue 2248 ARG Chi-restraints excluded: chain B residue 2259 GLU Chi-restraints excluded: chain B residue 2270 SER Chi-restraints excluded: chain B residue 2274 ASP Chi-restraints excluded: chain B residue 2275 VAL Chi-restraints excluded: chain B residue 2280 VAL Chi-restraints excluded: chain B residue 2281 ILE Chi-restraints excluded: chain B residue 2290 LEU Chi-restraints excluded: chain B residue 2294 ASP Chi-restraints excluded: chain B residue 2295 LEU Chi-restraints excluded: chain B residue 2296 GLU Chi-restraints excluded: chain B residue 2299 VAL Chi-restraints excluded: chain B residue 2300 SER Chi-restraints excluded: chain B residue 2309 SER Chi-restraints excluded: chain B residue 2312 MET Chi-restraints excluded: chain B residue 2316 LYS Chi-restraints excluded: chain B residue 2324 ASN Chi-restraints excluded: chain B residue 2330 ARG Chi-restraints excluded: chain B residue 2333 ASP Chi-restraints excluded: chain B residue 2336 ARG Chi-restraints excluded: chain B residue 2341 VAL Chi-restraints excluded: chain B residue 2345 SER Chi-restraints excluded: chain B residue 2346 VAL Chi-restraints excluded: chain B residue 2352 VAL Chi-restraints excluded: chain B residue 2353 VAL Chi-restraints excluded: chain B residue 2368 LEU Chi-restraints excluded: chain B residue 2377 LEU Chi-restraints excluded: chain B residue 2387 SER Chi-restraints excluded: chain B residue 2416 VAL Chi-restraints excluded: chain B residue 2423 MET Chi-restraints excluded: chain B residue 2430 ILE Chi-restraints excluded: chain B residue 2442 LEU Chi-restraints excluded: chain B residue 2454 ARG Chi-restraints excluded: chain B residue 2460 LEU Chi-restraints excluded: chain B residue 2461 VAL Chi-restraints excluded: chain B residue 2474 LEU Chi-restraints excluded: chain B residue 2479 LEU Chi-restraints excluded: chain B residue 3641 LEU Chi-restraints excluded: chain B residue 3644 LEU Chi-restraints excluded: chain B residue 3646 THR Chi-restraints excluded: chain B residue 3648 ARG Chi-restraints excluded: chain B residue 3652 MET Chi-restraints excluded: chain B residue 3656 SER Chi-restraints excluded: chain B residue 3662 ILE Chi-restraints excluded: chain B residue 3667 HIS Chi-restraints excluded: chain B residue 3670 GLU Chi-restraints excluded: chain B residue 3678 SER Chi-restraints excluded: chain B residue 3694 LYS Chi-restraints excluded: chain B residue 3696 ASP Chi-restraints excluded: chain B residue 3707 ARG Chi-restraints excluded: chain B residue 3711 THR Chi-restraints excluded: chain B residue 3719 ASP Chi-restraints excluded: chain B residue 3732 SER Chi-restraints excluded: chain B residue 3733 CYS Chi-restraints excluded: chain B residue 3752 SER Chi-restraints excluded: chain B residue 3754 GLU Chi-restraints excluded: chain B residue 3764 LEU Chi-restraints excluded: chain B residue 3772 THR Chi-restraints excluded: chain B residue 3779 VAL Chi-restraints excluded: chain B residue 3793 MET Chi-restraints excluded: chain B residue 3795 SER Chi-restraints excluded: chain B residue 3803 SER Chi-restraints excluded: chain B residue 3822 ASP Chi-restraints excluded: chain B residue 3826 VAL Chi-restraints excluded: chain B residue 3837 GLN Chi-restraints excluded: chain B residue 3850 GLN Chi-restraints excluded: chain B residue 3852 LYS Chi-restraints excluded: chain B residue 3856 LEU Chi-restraints excluded: chain B residue 3869 GLN Chi-restraints excluded: chain B residue 3872 GLU Chi-restraints excluded: chain B residue 3881 THR Chi-restraints excluded: chain B residue 3893 GLU Chi-restraints excluded: chain B residue 3904 ARG Chi-restraints excluded: chain B residue 3905 THR Chi-restraints excluded: chain B residue 3907 THR Chi-restraints excluded: chain B residue 3916 ILE Chi-restraints excluded: chain B residue 3924 LEU Chi-restraints excluded: chain B residue 3929 SER Chi-restraints excluded: chain B residue 3930 ILE Chi-restraints excluded: chain B residue 3933 PHE Chi-restraints excluded: chain B residue 3938 SER Chi-restraints excluded: chain B residue 3942 VAL Chi-restraints excluded: chain B residue 3945 GLU Chi-restraints excluded: chain B residue 3952 SER Chi-restraints excluded: chain B residue 3967 GLU Chi-restraints excluded: chain B residue 3969 ILE Chi-restraints excluded: chain B residue 3970 GLN Chi-restraints excluded: chain B residue 3995 VAL Chi-restraints excluded: chain B residue 4005 GLN Chi-restraints excluded: chain B residue 4007 SER Chi-restraints excluded: chain B residue 4008 SER Chi-restraints excluded: chain B residue 4012 LEU Chi-restraints excluded: chain B residue 4014 LYS Chi-restraints excluded: chain B residue 4018 ASP 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 4048 LEU Chi-restraints excluded: chain B residue 4049 VAL Chi-restraints excluded: chain B residue 4051 SER Chi-restraints excluded: chain B residue 4052 SER Chi-restraints excluded: chain B residue 4053 SER Chi-restraints excluded: chain B residue 4055 VAL Chi-restraints excluded: chain B residue 4064 MET Chi-restraints excluded: chain B residue 4067 LYS Chi-restraints excluded: chain B residue 4072 VAL Chi-restraints excluded: chain B residue 4075 GLU Chi-restraints excluded: chain B residue 4082 THR Chi-restraints excluded: chain B residue 4083 ASP Chi-restraints excluded: chain B residue 4087 LEU Chi-restraints excluded: chain B residue 4088 ILE Chi-restraints excluded: chain B residue 4098 ASP Chi-restraints excluded: chain B residue 4100 GLN Chi-restraints excluded: chain B residue 4106 PRO Chi-restraints excluded: chain B residue 4107 GLU Chi-restraints excluded: chain B residue 4109 GLN Chi-restraints excluded: chain B residue 4110 PHE Chi-restraints excluded: chain B residue 4112 LEU Chi-restraints excluded: chain B residue 4113 SER Chi-restraints excluded: chain B residue 4115 SER Chi-restraints excluded: chain B residue 4120 ASN Chi-restraints excluded: chain B residue 4123 ILE Chi-restraints excluded: chain B residue 4125 PHE Chi-restraints excluded: chain B residue 4127 GLU Chi-restraints excluded: chain B residue 4135 PRO Chi-restraints excluded: chain B residue 4139 ILE Chi-restraints excluded: chain B residue 4145 VAL Chi-restraints excluded: chain B residue 4154 VAL Chi-restraints excluded: chain B residue 4159 ARG Chi-restraints excluded: chain B residue 4170 ILE Chi-restraints excluded: chain B residue 4172 GLU Chi-restraints excluded: chain B residue 4178 LEU Chi-restraints excluded: chain B residue 4184 MET Chi-restraints excluded: chain B residue 4196 GLU Chi-restraints excluded: chain B residue 4200 THR Chi-restraints excluded: chain B residue 4220 ASP Chi-restraints excluded: chain B residue 4221 VAL Chi-restraints excluded: chain B residue 4232 GLU Chi-restraints excluded: chain B residue 4242 ILE Chi-restraints excluded: chain B residue 4244 GLU Chi-restraints excluded: chain B residue 4251 ILE Chi-restraints excluded: chain B residue 4546 VAL 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 4565 LEU Chi-restraints excluded: chain B residue 4568 PHE Chi-restraints excluded: chain B residue 4582 VAL Chi-restraints excluded: chain B residue 4632 LEU Chi-restraints excluded: chain B residue 4634 GLU Chi-restraints excluded: chain B residue 4645 CYS Chi-restraints excluded: chain B residue 4647 SER Chi-restraints excluded: chain B residue 4653 VAL Chi-restraints excluded: chain B residue 4662 ASN Chi-restraints excluded: chain B residue 4667 PRO Chi-restraints excluded: chain B residue 4669 VAL Chi-restraints excluded: chain B residue 4684 ASP Chi-restraints excluded: chain B residue 4688 ILE Chi-restraints excluded: chain B residue 4689 THR Chi-restraints excluded: chain B residue 4694 ASP Chi-restraints excluded: chain B residue 4696 ASP Chi-restraints excluded: chain B residue 4697 VAL Chi-restraints excluded: chain B residue 4698 LYS Chi-restraints excluded: chain B residue 4700 GLN Chi-restraints excluded: chain B residue 4704 LEU Chi-restraints excluded: chain B residue 4707 ASN Chi-restraints excluded: chain B residue 4710 SER Chi-restraints excluded: chain B residue 4713 SER Chi-restraints excluded: chain B residue 4718 LYS Chi-restraints excluded: chain B residue 4722 ARG Chi-restraints excluded: chain B residue 4737 ILE Chi-restraints excluded: chain B residue 4741 LEU Chi-restraints excluded: chain B residue 4743 MET Chi-restraints excluded: chain B residue 4745 LEU Chi-restraints excluded: chain B residue 4766 THR Chi-restraints excluded: chain B residue 4788 SER Chi-restraints excluded: chain B residue 4796 MET Chi-restraints excluded: chain B residue 4816 ILE Chi-restraints excluded: chain B residue 4818 MET Chi-restraints excluded: chain B residue 4825 THR Chi-restraints excluded: chain B residue 4836 GLN Chi-restraints excluded: chain B residue 4838 VAL Chi-restraints excluded: chain B residue 4850 LEU Chi-restraints excluded: chain B residue 4869 GLU Chi-restraints excluded: chain B residue 4870 ASP Chi-restraints excluded: chain B residue 4876 CYS Chi-restraints excluded: chain B residue 4879 MET Chi-restraints excluded: chain B residue 4880 MET Chi-restraints excluded: chain B residue 4881 THR Chi-restraints excluded: chain B residue 4901 ILE Chi-restraints excluded: chain B residue 4918 ILE Chi-restraints excluded: chain B residue 4919 THR Chi-restraints excluded: chain B residue 4948 GLU Chi-restraints excluded: chain B residue 4952 GLU Chi-restraints excluded: chain B residue 4954 MET Chi-restraints excluded: chain B residue 4956 THR Chi-restraints excluded: chain B residue 4957 LYS Chi-restraints excluded: chain B residue 4961 CYS Chi-restraints excluded: chain B residue 4965 SER Chi-restraints excluded: chain B residue 4966 ASP Chi-restraints excluded: chain B residue 4980 LEU Chi-restraints excluded: chain B residue 4992 LEU Chi-restraints excluded: chain B residue 5002 GLU Chi-restraints excluded: chain B residue 5008 SER Chi-restraints excluded: chain B residue 5023 PRO Chi-restraints excluded: chain C residue 13 PHE Chi-restraints excluded: chain C residue 18 ASP Chi-restraints excluded: chain C residue 23 GLN Chi-restraints excluded: chain C residue 24 CYS Chi-restraints excluded: chain C residue 25 SER Chi-restraints excluded: chain C residue 32 GLN Chi-restraints excluded: chain C residue 35 LEU Chi-restraints excluded: chain C residue 47 CYS Chi-restraints excluded: chain C residue 54 ASN Chi-restraints excluded: chain C residue 66 CYS Chi-restraints excluded: chain C residue 68 THR Chi-restraints excluded: chain C residue 75 VAL Chi-restraints excluded: chain C residue 78 LEU Chi-restraints excluded: chain C residue 82 LEU Chi-restraints excluded: chain C residue 99 ARG Chi-restraints excluded: chain C residue 109 LEU Chi-restraints excluded: chain C residue 115 ARG Chi-restraints excluded: chain C residue 118 LEU Chi-restraints excluded: chain C residue 119 SER Chi-restraints excluded: chain C residue 120 CYS Chi-restraints excluded: chain C residue 125 ARG Chi-restraints excluded: chain C residue 128 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 146 CYS Chi-restraints excluded: chain C residue 149 THR Chi-restraints excluded: chain C residue 156 GLN Chi-restraints excluded: chain C residue 167 ASP Chi-restraints excluded: chain C residue 169 LEU Chi-restraints excluded: chain C residue 184 THR Chi-restraints excluded: chain C residue 188 GLU Chi-restraints excluded: chain C residue 190 GLN Chi-restraints excluded: chain C residue 194 SER Chi-restraints excluded: chain C residue 197 GLN Chi-restraints excluded: chain C residue 202 MET Chi-restraints excluded: chain C residue 203 ASN Chi-restraints excluded: chain C residue 205 ILE Chi-restraints excluded: chain C residue 210 GLU Chi-restraints excluded: chain C residue 214 VAL Chi-restraints excluded: chain C residue 215 THR Chi-restraints excluded: chain C residue 218 HIS Chi-restraints excluded: chain C residue 220 LEU Chi-restraints excluded: chain C residue 232 THR Chi-restraints excluded: chain C residue 237 ASP Chi-restraints excluded: chain C residue 253 CYS Chi-restraints excluded: chain C residue 255 HIS Chi-restraints excluded: chain C residue 257 ARG Chi-restraints excluded: chain C residue 258 SER Chi-restraints excluded: chain C residue 264 PRO Chi-restraints excluded: chain C residue 265 LEU Chi-restraints excluded: chain C residue 266 ARG Chi-restraints excluded: chain C residue 268 SER Chi-restraints excluded: chain C residue 272 SER Chi-restraints excluded: chain C residue 281 ARG Chi-restraints excluded: chain C residue 286 THR Chi-restraints excluded: chain C residue 290 TYR Chi-restraints excluded: chain C residue 291 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 305 CYS Chi-restraints excluded: chain C residue 309 THR 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 317 ARG Chi-restraints excluded: chain C residue 318 VAL Chi-restraints excluded: chain C residue 319 SER Chi-restraints excluded: chain C residue 320 LYS Chi-restraints excluded: chain C residue 321 GLU Chi-restraints excluded: chain C residue 322 LYS Chi-restraints excluded: chain C residue 334 MET Chi-restraints excluded: chain C residue 339 ILE Chi-restraints excluded: chain C residue 346 CYS Chi-restraints excluded: chain C residue 348 VAL Chi-restraints excluded: chain C residue 353 SER Chi-restraints excluded: chain C residue 359 TYR Chi-restraints excluded: chain C residue 377 ILE Chi-restraints excluded: chain C residue 379 HIS Chi-restraints excluded: chain C residue 386 ASP Chi-restraints excluded: chain C residue 389 PHE Chi-restraints excluded: chain C residue 392 ARG Chi-restraints excluded: chain C residue 396 GLU Chi-restraints excluded: chain C residue 397 GLU Chi-restraints excluded: chain C residue 404 ILE Chi-restraints excluded: chain C residue 405 HIS Chi-restraints excluded: chain C residue 407 THR Chi-restraints excluded: chain C residue 420 SER Chi-restraints excluded: chain C residue 441 VAL Chi-restraints excluded: chain C residue 442 ILE Chi-restraints excluded: chain C residue 447 ASP Chi-restraints excluded: chain C residue 448 LEU Chi-restraints excluded: chain C residue 456 SER Chi-restraints excluded: chain C residue 470 SER Chi-restraints excluded: chain C residue 473 ASN Chi-restraints excluded: chain C residue 479 GLN Chi-restraints excluded: chain C residue 481 GLU Chi-restraints excluded: chain C residue 484 LEU Chi-restraints excluded: chain C residue 487 VAL Chi-restraints excluded: chain C residue 494 LEU Chi-restraints excluded: chain C residue 495 ASN Chi-restraints excluded: chain C residue 503 PHE Chi-restraints excluded: chain C residue 505 GLU Chi-restraints excluded: chain C residue 521 LEU Chi-restraints excluded: chain C residue 528 SER 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 540 PHE Chi-restraints excluded: chain C residue 545 ASP Chi-restraints excluded: chain C residue 549 SER Chi-restraints excluded: chain C residue 551 LEU Chi-restraints excluded: chain C residue 552 ASP Chi-restraints excluded: chain C residue 560 ILE Chi-restraints excluded: chain C residue 569 ILE Chi-restraints excluded: chain C residue 575 LEU Chi-restraints excluded: chain C residue 577 ILE Chi-restraints excluded: chain C residue 578 ILE Chi-restraints excluded: chain C residue 580 GLU Chi-restraints excluded: chain C residue 587 ILE Chi-restraints excluded: chain C residue 590 LEU Chi-restraints excluded: chain C residue 605 SER Chi-restraints excluded: chain C residue 612 VAL Chi-restraints excluded: chain C residue 621 ILE Chi-restraints excluded: chain C residue 625 LEU Chi-restraints excluded: chain C residue 629 ARG Chi-restraints excluded: chain C residue 637 LEU Chi-restraints excluded: chain C residue 652 ARG Chi-restraints excluded: chain C residue 657 THR Chi-restraints excluded: chain C residue 659 TYR Chi-restraints excluded: chain C residue 663 TYR Chi-restraints excluded: chain C residue 666 VAL Chi-restraints excluded: chain C residue 667 MET Chi-restraints excluded: chain C residue 668 VAL Chi-restraints excluded: chain C residue 675 LEU Chi-restraints excluded: chain C residue 682 LEU Chi-restraints excluded: chain C residue 684 VAL Chi-restraints excluded: chain C residue 707 VAL Chi-restraints excluded: chain C residue 709 ASP Chi-restraints excluded: chain C residue 710 ASP Chi-restraints excluded: chain C residue 723 THR Chi-restraints excluded: chain C residue 736 HIS Chi-restraints excluded: chain C residue 751 SER Chi-restraints excluded: chain C residue 752 VAL Chi-restraints excluded: chain C residue 755 ILE Chi-restraints excluded: chain C residue 756 SER Chi-restraints excluded: chain C residue 758 ARG Chi-restraints excluded: chain C residue 760 ASN Chi-restraints excluded: chain C residue 768 PHE Chi-restraints excluded: chain C residue 773 LEU Chi-restraints excluded: chain C residue 778 PHE Chi-restraints excluded: chain C residue 781 VAL Chi-restraints excluded: chain C residue 788 LYS Chi-restraints excluded: chain C residue 800 PHE Chi-restraints excluded: chain C residue 801 LYS Chi-restraints excluded: chain C residue 802 PHE Chi-restraints excluded: chain C residue 803 LEU Chi-restraints excluded: chain C residue 822 ARG Chi-restraints excluded: chain C residue 823 LEU Chi-restraints excluded: chain C residue 826 ILE Chi-restraints excluded: chain C residue 831 ARG Chi-restraints excluded: chain C residue 840 VAL Chi-restraints excluded: chain C residue 870 ILE Chi-restraints excluded: chain C residue 921 ASN Chi-restraints excluded: chain C residue 924 MET Chi-restraints excluded: chain C residue 925 SER Chi-restraints excluded: chain C residue 928 THR Chi-restraints excluded: chain C residue 932 LEU Chi-restraints excluded: chain C residue 933 LEU Chi-restraints excluded: chain C residue 961 MET Chi-restraints excluded: chain C residue 974 HIS Chi-restraints excluded: chain C residue 978 THR Chi-restraints excluded: chain C residue 1043 VAL Chi-restraints excluded: chain C residue 1072 VAL Chi-restraints excluded: chain C residue 1074 ILE Chi-restraints excluded: chain C residue 1085 SER Chi-restraints excluded: chain C residue 1087 ARG Chi-restraints excluded: chain C residue 1093 GLU Chi-restraints excluded: chain C residue 1095 VAL Chi-restraints excluded: chain C residue 1106 ARG Chi-restraints excluded: chain C residue 1109 LEU Chi-restraints excluded: chain C residue 1113 VAL Chi-restraints excluded: chain C residue 1123 VAL Chi-restraints excluded: chain C residue 1127 HIS Chi-restraints excluded: chain C residue 1131 ARG Chi-restraints excluded: chain C residue 1136 SER Chi-restraints excluded: chain C residue 1137 GLU Chi-restraints excluded: chain C residue 1141 ARG Chi-restraints excluded: chain C residue 1143 TRP Chi-restraints excluded: chain C residue 1145 SER Chi-restraints excluded: chain C residue 1147 ASP Chi-restraints excluded: chain C residue 1151 CYS Chi-restraints excluded: chain C residue 1152 MET Chi-restraints excluded: chain C residue 1153 ILE Chi-restraints excluded: chain C residue 1154 ASP Chi-restraints excluded: chain C residue 1155 LEU Chi-restraints excluded: chain C residue 1163 THR Chi-restraints excluded: chain C residue 1164 LEU Chi-restraints excluded: chain C residue 1168 VAL Chi-restraints excluded: chain C residue 1170 MET Chi-restraints excluded: chain C residue 1173 SER Chi-restraints excluded: chain C residue 1179 PHE Chi-restraints excluded: chain C residue 1190 PRO Chi-restraints excluded: chain C residue 1192 CYS Chi-restraints excluded: chain C residue 1193 SER Chi-restraints excluded: chain C residue 1198 GLN Chi-restraints excluded: chain C residue 1202 LEU Chi-restraints excluded: chain C residue 1204 LEU Chi-restraints excluded: chain C residue 1208 VAL Chi-restraints excluded: chain C residue 1216 ILE Chi-restraints excluded: chain C residue 1219 LEU Chi-restraints excluded: chain C residue 1221 GLU Chi-restraints excluded: chain C residue 1226 PHE Chi-restraints excluded: chain C residue 1234 VAL Chi-restraints excluded: chain C residue 1238 PHE Chi-restraints excluded: chain C residue 1241 SER 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 1259 ARG Chi-restraints excluded: chain C residue 1269 CYS Chi-restraints excluded: chain C residue 1271 ARG Chi-restraints excluded: chain C residue 1272 LEU Chi-restraints excluded: chain C residue 1282 SER Chi-restraints excluded: chain C residue 1283 LEU Chi-restraints excluded: chain C residue 1287 LEU Chi-restraints excluded: chain C residue 1431 THR Chi-restraints excluded: chain C residue 1437 VAL Chi-restraints excluded: chain C residue 1439 VAL Chi-restraints excluded: chain C residue 1444 GLU Chi-restraints excluded: chain C residue 1457 TYR Chi-restraints excluded: chain C residue 1460 HIS Chi-restraints excluded: chain C residue 1462 MET Chi-restraints excluded: chain C residue 1466 LEU Chi-restraints excluded: chain C residue 1467 SER Chi-restraints excluded: chain C residue 1468 LYS Chi-restraints excluded: chain C residue 1469 VAL Chi-restraints excluded: chain C residue 1472 VAL Chi-restraints excluded: chain C residue 1485 SER Chi-restraints excluded: chain C residue 1486 SER Chi-restraints excluded: chain C residue 1576 SER Chi-restraints excluded: chain C residue 1580 PHE Chi-restraints excluded: chain C residue 1595 LEU Chi-restraints excluded: chain C residue 1597 VAL Chi-restraints excluded: chain C residue 1599 MET Chi-restraints excluded: chain C residue 1600 LEU Chi-restraints excluded: chain C residue 1603 VAL Chi-restraints excluded: chain C residue 1607 ARG Chi-restraints excluded: chain C residue 1610 ASN Chi-restraints excluded: chain C residue 1634 LEU Chi-restraints excluded: chain C residue 1641 ILE Chi-restraints excluded: chain C residue 1642 PRO Chi-restraints excluded: chain C residue 1647 CYS Chi-restraints excluded: chain C residue 1657 LEU Chi-restraints excluded: chain C residue 1666 THR Chi-restraints excluded: chain C residue 1668 ARG Chi-restraints excluded: chain C residue 1671 ARG Chi-restraints excluded: chain C residue 1673 VAL Chi-restraints excluded: chain C residue 1674 CYS Chi-restraints excluded: chain C residue 1679 ASN Chi-restraints excluded: chain C residue 1680 ARG Chi-restraints excluded: chain C residue 1685 LEU Chi-restraints excluded: chain C residue 1687 SER Chi-restraints excluded: chain C residue 1689 VAL Chi-restraints excluded: chain C residue 1698 LEU Chi-restraints excluded: chain C residue 1699 GLU Chi-restraints excluded: chain C residue 1700 ASP Chi-restraints excluded: chain C residue 1704 PRO Chi-restraints excluded: chain C residue 1706 PRO Chi-restraints excluded: chain C residue 1717 SER Chi-restraints excluded: chain C residue 1720 LEU Chi-restraints excluded: chain C residue 1733 GLU Chi-restraints excluded: chain C residue 1736 VAL Chi-restraints excluded: chain C residue 1738 LEU Chi-restraints excluded: chain C residue 1739 THR Chi-restraints excluded: chain C residue 1760 HIS Chi-restraints excluded: chain C residue 1770 SER Chi-restraints excluded: chain C residue 1771 LEU 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 1802 ILE Chi-restraints excluded: chain C residue 1812 LEU Chi-restraints excluded: chain C residue 1815 LEU Chi-restraints excluded: chain C residue 1830 VAL Chi-restraints excluded: chain C residue 1834 VAL Chi-restraints excluded: chain C residue 1835 GLU Chi-restraints excluded: chain C residue 1837 GLN Chi-restraints excluded: chain C residue 1849 LEU Chi-restraints excluded: chain C residue 1857 GLU Chi-restraints excluded: chain C residue 1858 ASP Chi-restraints excluded: chain C residue 1869 GLU Chi-restraints excluded: chain C residue 1872 THR Chi-restraints excluded: chain C residue 1873 GLU Chi-restraints excluded: chain C residue 1929 MET Chi-restraints excluded: chain C residue 1930 LYS Chi-restraints excluded: chain C residue 1934 SER Chi-restraints excluded: chain C residue 1955 VAL Chi-restraints excluded: chain C residue 1961 PHE Chi-restraints excluded: chain C residue 1966 VAL Chi-restraints excluded: chain C residue 1969 LEU Chi-restraints excluded: chain C residue 1987 SER Chi-restraints excluded: chain C residue 1995 THR Chi-restraints excluded: chain C residue 2020 ASP Chi-restraints excluded: chain C residue 2037 ASP Chi-restraints excluded: chain C residue 2039 LEU Chi-restraints excluded: chain C residue 2044 ILE Chi-restraints excluded: chain C residue 2093 SER Chi-restraints excluded: chain C residue 2094 LEU Chi-restraints excluded: chain C residue 2095 GLN Chi-restraints excluded: chain C residue 2097 LEU Chi-restraints excluded: chain C residue 2098 VAL Chi-restraints excluded: chain C residue 2111 VAL Chi-restraints excluded: chain C residue 2122 SER Chi-restraints excluded: chain C residue 2136 ARG 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 2156 LEU Chi-restraints excluded: chain C residue 2161 GLN Chi-restraints excluded: chain C residue 2166 LEU Chi-restraints excluded: chain C residue 2167 ILE Chi-restraints excluded: chain C residue 2169 GLN Chi-restraints excluded: chain C residue 2170 MET Chi-restraints excluded: chain C residue 2175 GLU Chi-restraints excluded: chain C residue 2186 MET Chi-restraints excluded: chain C residue 2187 ASN Chi-restraints excluded: chain C residue 2197 LEU Chi-restraints excluded: chain C residue 2199 ARG Chi-restraints excluded: chain C residue 2221 LYS Chi-restraints excluded: chain C residue 2225 PHE Chi-restraints excluded: chain C residue 2227 LYS Chi-restraints excluded: chain C residue 2228 MET Chi-restraints excluded: chain C residue 2229 VAL Chi-restraints excluded: chain C residue 2230 THR Chi-restraints excluded: chain C residue 2231 SER Chi-restraints excluded: chain C residue 2238 TYR Chi-restraints excluded: chain C residue 2241 ARG Chi-restraints excluded: chain C residue 2242 ILE Chi-restraints excluded: chain C residue 2244 ARG Chi-restraints excluded: chain C residue 2245 GLN Chi-restraints excluded: chain C residue 2248 ARG Chi-restraints excluded: chain C residue 2270 SER Chi-restraints excluded: chain C residue 2274 ASP Chi-restraints excluded: chain C residue 2275 VAL Chi-restraints excluded: chain C residue 2280 VAL Chi-restraints excluded: chain C residue 2281 ILE Chi-restraints excluded: chain C residue 2290 LEU Chi-restraints excluded: chain C residue 2293 GLN Chi-restraints excluded: chain C residue 2294 ASP Chi-restraints excluded: chain C residue 2295 LEU Chi-restraints excluded: chain C residue 2296 GLU Chi-restraints excluded: chain C residue 2299 VAL Chi-restraints excluded: chain C residue 2300 SER Chi-restraints excluded: chain C residue 2312 MET Chi-restraints excluded: chain C residue 2316 LYS Chi-restraints excluded: chain C residue 2324 ASN Chi-restraints excluded: chain C residue 2330 ARG Chi-restraints excluded: chain C residue 2333 ASP Chi-restraints excluded: chain C residue 2336 ARG Chi-restraints excluded: chain C residue 2341 VAL Chi-restraints excluded: chain C residue 2345 SER Chi-restraints excluded: chain C residue 2346 VAL Chi-restraints excluded: chain C residue 2352 VAL Chi-restraints excluded: chain C residue 2353 VAL Chi-restraints excluded: chain C residue 2359 ARG Chi-restraints excluded: chain C residue 2368 LEU Chi-restraints excluded: chain C residue 2377 LEU Chi-restraints excluded: chain C residue 2387 SER Chi-restraints excluded: chain C residue 2416 VAL Chi-restraints excluded: chain C residue 2423 MET Chi-restraints excluded: chain C residue 2430 ILE Chi-restraints excluded: chain C residue 2442 LEU Chi-restraints excluded: chain C residue 2454 ARG Chi-restraints excluded: chain C residue 2460 LEU Chi-restraints excluded: chain C residue 2461 VAL Chi-restraints excluded: chain C residue 2474 LEU Chi-restraints excluded: chain C residue 2479 LEU Chi-restraints excluded: chain C residue 3646 THR Chi-restraints excluded: chain C residue 3652 MET Chi-restraints excluded: chain C residue 3656 SER Chi-restraints excluded: chain C residue 3661 TRP Chi-restraints excluded: chain C residue 3662 ILE Chi-restraints excluded: chain C residue 3669 PHE Chi-restraints excluded: chain C residue 3670 GLU Chi-restraints excluded: chain C residue 3678 SER Chi-restraints excluded: chain C residue 3694 LYS Chi-restraints excluded: chain C residue 3696 ASP Chi-restraints excluded: chain C residue 3707 ARG Chi-restraints excluded: chain C residue 3711 THR Chi-restraints excluded: chain C residue 3719 ASP Chi-restraints excluded: chain C residue 3732 SER Chi-restraints excluded: chain C residue 3733 CYS Chi-restraints excluded: chain C residue 3752 SER Chi-restraints excluded: chain C residue 3754 GLU Chi-restraints excluded: chain C residue 3764 LEU Chi-restraints excluded: chain C residue 3772 THR Chi-restraints excluded: chain C residue 3779 VAL Chi-restraints excluded: chain C residue 3793 MET Chi-restraints excluded: chain C residue 3795 SER Chi-restraints excluded: chain C residue 3803 SER Chi-restraints excluded: chain C residue 3822 ASP Chi-restraints excluded: chain C residue 3826 VAL Chi-restraints excluded: chain C residue 3837 GLN Chi-restraints excluded: chain C residue 3841 VAL Chi-restraints excluded: chain C residue 3850 GLN Chi-restraints excluded: chain C residue 3873 LYS Chi-restraints excluded: chain C residue 3893 GLU Chi-restraints excluded: chain C residue 3904 ARG Chi-restraints excluded: chain C residue 3905 THR Chi-restraints excluded: chain C residue 3907 THR Chi-restraints excluded: chain C residue 3916 ILE Chi-restraints excluded: chain C residue 3924 LEU Chi-restraints excluded: chain C residue 3929 SER Chi-restraints excluded: chain C residue 3930 ILE Chi-restraints excluded: chain C residue 3933 PHE Chi-restraints excluded: chain C residue 3938 SER Chi-restraints excluded: chain C residue 3942 VAL Chi-restraints excluded: chain C residue 3945 GLU Chi-restraints excluded: chain C residue 3952 SER Chi-restraints excluded: chain C residue 3967 GLU Chi-restraints excluded: chain C residue 3969 ILE Chi-restraints excluded: chain C residue 3970 GLN Chi-restraints excluded: chain C residue 3995 VAL Chi-restraints excluded: chain C residue 4005 GLN Chi-restraints excluded: chain C residue 4007 SER Chi-restraints excluded: chain C residue 4008 SER Chi-restraints excluded: chain C residue 4014 LYS Chi-restraints excluded: chain C residue 4018 ASP 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 4048 LEU Chi-restraints excluded: chain C residue 4049 VAL Chi-restraints excluded: chain C residue 4051 SER Chi-restraints excluded: chain C residue 4052 SER Chi-restraints excluded: chain C residue 4053 SER Chi-restraints excluded: chain C residue 4055 VAL Chi-restraints excluded: chain C residue 4064 MET Chi-restraints excluded: chain C residue 4067 LYS Chi-restraints excluded: chain C residue 4072 VAL Chi-restraints excluded: chain C residue 4075 GLU Chi-restraints excluded: chain C residue 4082 THR Chi-restraints excluded: chain C residue 4088 ILE Chi-restraints excluded: chain C residue 4098 ASP Chi-restraints excluded: chain C residue 4100 GLN Chi-restraints excluded: chain C residue 4106 PRO Chi-restraints excluded: chain C residue 4107 GLU Chi-restraints excluded: chain C residue 4109 GLN Chi-restraints excluded: chain C residue 4110 PHE Chi-restraints excluded: chain C residue 4112 LEU Chi-restraints excluded: chain C residue 4113 SER Chi-restraints excluded: chain C residue 4115 SER Chi-restraints excluded: chain C residue 4120 ASN Chi-restraints excluded: chain C residue 4123 ILE Chi-restraints excluded: chain C residue 4125 PHE Chi-restraints excluded: chain C residue 4127 GLU Chi-restraints excluded: chain C residue 4135 PRO Chi-restraints excluded: chain C residue 4139 ILE Chi-restraints excluded: chain C residue 4145 VAL Chi-restraints excluded: chain C residue 4154 VAL Chi-restraints excluded: chain C residue 4159 ARG Chi-restraints excluded: chain C residue 4170 ILE Chi-restraints excluded: chain C residue 4172 GLU Chi-restraints excluded: chain C residue 4176 PRO 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 4184 MET Chi-restraints excluded: chain C residue 4196 GLU Chi-restraints excluded: chain C residue 4200 THR Chi-restraints excluded: chain C residue 4202 ARG Chi-restraints excluded: chain C residue 4220 ASP Chi-restraints excluded: chain C residue 4221 VAL Chi-restraints excluded: chain C residue 4232 GLU Chi-restraints excluded: chain C residue 4242 ILE Chi-restraints excluded: chain C residue 4244 GLU Chi-restraints excluded: chain C residue 4251 ILE Chi-restraints excluded: chain C residue 4546 VAL 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 4565 LEU Chi-restraints excluded: chain C residue 4582 VAL Chi-restraints excluded: chain C residue 4632 LEU Chi-restraints excluded: chain C residue 4634 GLU Chi-restraints excluded: chain C residue 4645 CYS Chi-restraints excluded: chain C residue 4647 SER Chi-restraints excluded: chain C residue 4653 VAL Chi-restraints excluded: chain C residue 4662 ASN Chi-restraints excluded: chain C residue 4667 PRO Chi-restraints excluded: chain C residue 4669 VAL Chi-restraints excluded: chain C residue 4684 ASP Chi-restraints excluded: chain C residue 4688 ILE Chi-restraints excluded: chain C residue 4689 THR Chi-restraints excluded: chain C residue 4690 GLU Chi-restraints excluded: chain C residue 4694 ASP Chi-restraints excluded: chain C residue 4695 ASP Chi-restraints excluded: chain C residue 4698 LYS Chi-restraints excluded: chain C residue 4704 LEU Chi-restraints excluded: chain C residue 4707 ASN Chi-restraints excluded: chain C residue 4708 THR Chi-restraints excluded: chain C residue 4710 SER Chi-restraints excluded: chain C residue 4713 SER Chi-restraints excluded: chain C residue 4718 LYS Chi-restraints excluded: chain C residue 4722 ARG Chi-restraints excluded: chain C residue 4737 ILE Chi-restraints excluded: chain C residue 4741 LEU Chi-restraints excluded: chain C residue 4743 MET Chi-restraints excluded: chain C residue 4745 LEU Chi-restraints excluded: chain C residue 4766 THR Chi-restraints excluded: chain C residue 4788 SER Chi-restraints excluded: chain C residue 4816 ILE Chi-restraints excluded: chain C residue 4818 MET Chi-restraints excluded: chain C residue 4825 THR Chi-restraints excluded: chain C residue 4836 GLN Chi-restraints excluded: chain C residue 4838 VAL Chi-restraints excluded: chain C residue 4850 LEU Chi-restraints excluded: chain C residue 4869 GLU Chi-restraints excluded: chain C residue 4870 ASP Chi-restraints excluded: chain C residue 4876 CYS Chi-restraints excluded: chain C residue 4879 MET Chi-restraints excluded: chain C residue 4880 MET Chi-restraints excluded: chain C residue 4881 THR Chi-restraints excluded: chain C residue 4901 ILE Chi-restraints excluded: chain C residue 4918 ILE Chi-restraints excluded: chain C residue 4919 THR Chi-restraints excluded: chain C residue 4942 GLU Chi-restraints excluded: chain C residue 4948 GLU Chi-restraints excluded: chain C residue 4952 GLU Chi-restraints excluded: chain C residue 4954 MET Chi-restraints excluded: chain C residue 4956 THR Chi-restraints excluded: chain C residue 4957 LYS Chi-restraints excluded: chain C residue 4961 CYS Chi-restraints excluded: chain C residue 4965 SER Chi-restraints excluded: chain C residue 4966 ASP Chi-restraints excluded: chain C residue 4980 LEU Chi-restraints excluded: chain C residue 4992 LEU Chi-restraints excluded: chain C residue 5002 GLU Chi-restraints excluded: chain C residue 5008 SER Chi-restraints excluded: chain C residue 5023 PRO Chi-restraints excluded: chain D residue 13 PHE Chi-restraints excluded: chain D residue 18 ASP Chi-restraints excluded: chain D residue 24 CYS Chi-restraints excluded: chain D residue 25 SER Chi-restraints excluded: chain D residue 35 LEU Chi-restraints excluded: chain D residue 47 CYS Chi-restraints excluded: chain D residue 54 ASN Chi-restraints excluded: chain D residue 58 VAL Chi-restraints excluded: chain D residue 66 CYS Chi-restraints excluded: chain D residue 68 THR Chi-restraints excluded: chain D residue 75 VAL Chi-restraints excluded: chain D residue 78 LEU Chi-restraints excluded: chain D residue 81 MET Chi-restraints excluded: chain D residue 82 LEU Chi-restraints excluded: chain D residue 99 ARG Chi-restraints excluded: chain D residue 109 LEU Chi-restraints excluded: chain D residue 115 ARG Chi-restraints excluded: chain D residue 118 LEU Chi-restraints excluded: chain D residue 119 SER Chi-restraints excluded: chain D residue 120 CYS Chi-restraints excluded: chain D residue 125 ARG Chi-restraints excluded: chain D residue 128 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 146 CYS Chi-restraints excluded: chain D residue 149 THR Chi-restraints excluded: chain D residue 156 GLN Chi-restraints excluded: chain D residue 167 ASP Chi-restraints excluded: chain D residue 169 LEU Chi-restraints excluded: chain D residue 184 THR Chi-restraints excluded: chain D residue 188 GLU Chi-restraints excluded: chain D residue 189 LEU Chi-restraints excluded: chain D residue 190 GLN Chi-restraints excluded: chain D residue 194 SER Chi-restraints excluded: chain D residue 197 GLN Chi-restraints excluded: chain D residue 202 MET Chi-restraints excluded: chain D residue 203 ASN Chi-restraints excluded: chain D residue 205 ILE Chi-restraints excluded: chain D residue 210 GLU Chi-restraints excluded: chain D residue 214 VAL Chi-restraints excluded: chain D residue 215 THR Chi-restraints excluded: chain D residue 218 HIS Chi-restraints excluded: chain D residue 220 LEU Chi-restraints excluded: chain D residue 232 THR Chi-restraints excluded: chain D residue 237 ASP Chi-restraints excluded: chain D residue 253 CYS Chi-restraints excluded: chain D residue 255 HIS Chi-restraints excluded: chain D residue 257 ARG Chi-restraints excluded: chain D residue 258 SER Chi-restraints excluded: chain D residue 264 PRO Chi-restraints excluded: chain D residue 265 LEU Chi-restraints excluded: chain D residue 266 ARG Chi-restraints excluded: chain D residue 268 SER Chi-restraints excluded: chain D residue 272 SER Chi-restraints excluded: chain D residue 281 ARG Chi-restraints excluded: chain D residue 286 THR Chi-restraints excluded: chain D residue 290 TYR Chi-restraints excluded: chain D residue 291 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 305 CYS Chi-restraints excluded: chain D residue 309 THR Chi-restraints excluded: chain D residue 315 CYS Chi-restraints excluded: chain D residue 317 ARG Chi-restraints excluded: chain D residue 318 VAL Chi-restraints excluded: chain D residue 321 GLU Chi-restraints excluded: chain D residue 334 MET Chi-restraints excluded: chain D residue 339 ILE Chi-restraints excluded: chain D residue 346 CYS Chi-restraints excluded: chain D residue 348 VAL Chi-restraints excluded: chain D residue 353 SER Chi-restraints excluded: chain D residue 358 THR Chi-restraints excluded: chain D residue 359 TYR Chi-restraints excluded: chain D residue 377 ILE Chi-restraints excluded: chain D residue 384 MET Chi-restraints excluded: chain D residue 386 ASP Chi-restraints excluded: chain D residue 389 PHE Chi-restraints excluded: chain D residue 392 ARG Chi-restraints excluded: chain D residue 396 GLU Chi-restraints excluded: chain D residue 397 GLU Chi-restraints excluded: chain D residue 404 ILE Chi-restraints excluded: chain D residue 405 HIS Chi-restraints excluded: chain D residue 407 THR Chi-restraints excluded: chain D residue 420 SER Chi-restraints excluded: chain D residue 441 VAL Chi-restraints excluded: chain D residue 442 ILE Chi-restraints excluded: chain D residue 447 ASP Chi-restraints excluded: chain D residue 448 LEU Chi-restraints excluded: chain D residue 456 SER Chi-restraints excluded: chain D residue 470 SER Chi-restraints excluded: chain D residue 473 ASN Chi-restraints excluded: chain D residue 479 GLN Chi-restraints excluded: chain D residue 481 GLU Chi-restraints excluded: chain D residue 487 VAL Chi-restraints excluded: chain D residue 494 LEU Chi-restraints excluded: chain D residue 495 ASN Chi-restraints excluded: chain D residue 505 GLU Chi-restraints excluded: chain D residue 510 GLU Chi-restraints excluded: chain D residue 521 LEU Chi-restraints excluded: chain D residue 528 SER 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 540 PHE Chi-restraints excluded: chain D residue 545 ASP Chi-restraints excluded: chain D residue 549 SER Chi-restraints excluded: chain D residue 554 LEU Chi-restraints excluded: chain D residue 560 ILE Chi-restraints excluded: chain D residue 569 ILE Chi-restraints excluded: chain D residue 575 LEU Chi-restraints excluded: chain D residue 577 ILE Chi-restraints excluded: chain D residue 578 ILE Chi-restraints excluded: chain D residue 580 GLU Chi-restraints excluded: chain D residue 587 ILE Chi-restraints excluded: chain D residue 605 SER Chi-restraints excluded: chain D residue 612 VAL Chi-restraints excluded: chain D residue 621 ILE Chi-restraints excluded: chain D residue 625 LEU Chi-restraints excluded: chain D residue 629 ARG Chi-restraints excluded: chain D residue 637 LEU Chi-restraints excluded: chain D residue 645 ARG Chi-restraints excluded: chain D residue 652 ARG Chi-restraints excluded: chain D residue 657 THR Chi-restraints excluded: chain D residue 666 VAL Chi-restraints excluded: chain D residue 667 MET Chi-restraints excluded: chain D residue 668 VAL Chi-restraints excluded: chain D residue 672 VAL Chi-restraints excluded: chain D residue 675 LEU 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 707 VAL Chi-restraints excluded: chain D residue 709 ASP Chi-restraints excluded: chain D residue 710 ASP Chi-restraints excluded: chain D residue 723 THR Chi-restraints excluded: chain D residue 751 SER Chi-restraints excluded: chain D residue 755 ILE 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 768 PHE Chi-restraints excluded: chain D residue 773 LEU Chi-restraints excluded: chain D residue 778 PHE Chi-restraints excluded: chain D residue 781 VAL Chi-restraints excluded: chain D residue 788 LYS Chi-restraints excluded: chain D residue 800 PHE Chi-restraints excluded: chain D residue 801 LYS Chi-restraints excluded: chain D residue 821 LEU Chi-restraints excluded: chain D residue 822 ARG Chi-restraints excluded: chain D residue 826 ILE Chi-restraints excluded: chain D residue 831 ARG Chi-restraints excluded: chain D residue 840 VAL Chi-restraints excluded: chain D residue 870 ILE Chi-restraints excluded: chain D residue 917 GLU Chi-restraints excluded: chain D residue 921 ASN Chi-restraints excluded: chain D residue 924 MET Chi-restraints excluded: chain D residue 925 SER Chi-restraints excluded: chain D residue 932 LEU Chi-restraints excluded: chain D residue 978 THR Chi-restraints excluded: chain D residue 1043 VAL Chi-restraints excluded: chain D residue 1072 VAL Chi-restraints excluded: chain D residue 1074 ILE Chi-restraints excluded: chain D residue 1085 SER Chi-restraints excluded: chain D residue 1087 ARG Chi-restraints excluded: chain D residue 1093 GLU Chi-restraints excluded: chain D residue 1095 VAL Chi-restraints excluded: chain D residue 1106 ARG Chi-restraints excluded: chain D residue 1113 VAL Chi-restraints excluded: chain D residue 1123 VAL Chi-restraints excluded: chain D residue 1127 HIS Chi-restraints excluded: chain D residue 1131 ARG Chi-restraints excluded: chain D residue 1137 GLU Chi-restraints excluded: chain D residue 1139 PHE Chi-restraints excluded: chain D residue 1143 TRP Chi-restraints excluded: chain D residue 1145 SER Chi-restraints excluded: chain D residue 1147 ASP Chi-restraints excluded: chain D residue 1151 CYS Chi-restraints excluded: chain D residue 1152 MET Chi-restraints excluded: chain D residue 1153 ILE Chi-restraints excluded: chain D residue 1154 ASP Chi-restraints excluded: chain D residue 1155 LEU Chi-restraints excluded: chain D residue 1163 THR Chi-restraints excluded: chain D residue 1164 LEU Chi-restraints excluded: chain D residue 1168 VAL Chi-restraints excluded: chain D residue 1169 LEU Chi-restraints excluded: chain D residue 1173 SER Chi-restraints excluded: chain D residue 1179 PHE Chi-restraints excluded: chain D residue 1182 ILE Chi-restraints excluded: chain D residue 1190 PRO Chi-restraints excluded: chain D residue 1192 CYS Chi-restraints excluded: chain D residue 1193 SER Chi-restraints excluded: chain D residue 1198 GLN Chi-restraints excluded: chain D residue 1202 LEU Chi-restraints excluded: chain D residue 1204 LEU Chi-restraints excluded: chain D residue 1208 VAL Chi-restraints excluded: chain D residue 1219 LEU Chi-restraints excluded: chain D residue 1226 PHE Chi-restraints excluded: chain D residue 1234 VAL Chi-restraints excluded: chain D residue 1238 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 1259 ARG Chi-restraints excluded: chain D residue 1260 MET Chi-restraints excluded: chain D residue 1269 CYS Chi-restraints excluded: chain D residue 1271 ARG Chi-restraints excluded: chain D residue 1272 LEU Chi-restraints excluded: chain D residue 1282 SER Chi-restraints excluded: chain D residue 1283 LEU Chi-restraints excluded: chain D residue 1287 LEU Chi-restraints excluded: chain D residue 1431 THR Chi-restraints excluded: chain D residue 1437 VAL Chi-restraints excluded: chain D residue 1439 VAL Chi-restraints excluded: chain D residue 1457 TYR Chi-restraints excluded: chain D residue 1460 HIS Chi-restraints excluded: chain D residue 1466 LEU Chi-restraints excluded: chain D residue 1467 SER Chi-restraints excluded: chain D residue 1468 LYS Chi-restraints excluded: chain D residue 1469 VAL Chi-restraints excluded: chain D residue 1472 VAL Chi-restraints excluded: chain D residue 1483 VAL Chi-restraints excluded: chain D residue 1485 SER Chi-restraints excluded: chain D residue 1486 SER Chi-restraints excluded: chain D residue 1576 SER Chi-restraints excluded: chain D residue 1580 PHE Chi-restraints excluded: chain D residue 1595 LEU Chi-restraints excluded: chain D residue 1597 VAL Chi-restraints excluded: chain D residue 1599 MET Chi-restraints excluded: chain D residue 1600 LEU Chi-restraints excluded: chain D residue 1603 VAL Chi-restraints excluded: chain D residue 1607 ARG Chi-restraints excluded: chain D residue 1610 ASN Chi-restraints excluded: chain D residue 1634 LEU Chi-restraints excluded: chain D residue 1641 ILE Chi-restraints excluded: chain D residue 1642 PRO Chi-restraints excluded: chain D residue 1647 CYS Chi-restraints excluded: chain D residue 1657 LEU Chi-restraints excluded: chain D residue 1666 THR Chi-restraints excluded: chain D residue 1671 ARG Chi-restraints excluded: chain D residue 1673 VAL Chi-restraints excluded: chain D residue 1679 ASN Chi-restraints excluded: chain D residue 1685 LEU Chi-restraints excluded: chain D residue 1687 SER Chi-restraints excluded: chain D residue 1689 VAL Chi-restraints excluded: chain D residue 1698 LEU Chi-restraints excluded: chain D residue 1699 GLU Chi-restraints excluded: chain D residue 1700 ASP Chi-restraints excluded: chain D residue 1704 PRO Chi-restraints excluded: chain D residue 1706 PRO Chi-restraints excluded: chain D residue 1717 SER Chi-restraints excluded: chain D residue 1720 LEU Chi-restraints excluded: chain D residue 1733 GLU Chi-restraints excluded: chain D residue 1736 VAL Chi-restraints excluded: chain D residue 1738 LEU Chi-restraints excluded: chain D residue 1739 THR Chi-restraints excluded: chain D residue 1760 HIS Chi-restraints excluded: chain D residue 1770 SER Chi-restraints excluded: chain D residue 1771 LEU 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 1802 ILE Chi-restraints excluded: chain D residue 1812 LEU Chi-restraints excluded: chain D residue 1815 LEU Chi-restraints excluded: chain D residue 1830 VAL Chi-restraints excluded: chain D residue 1834 VAL Chi-restraints excluded: chain D residue 1849 LEU Chi-restraints excluded: chain D residue 1857 GLU Chi-restraints excluded: chain D residue 1858 ASP Chi-restraints excluded: chain D residue 1869 GLU Chi-restraints excluded: chain D residue 1872 THR Chi-restraints excluded: chain D residue 1873 GLU Chi-restraints excluded: chain D residue 1929 MET Chi-restraints excluded: chain D residue 1930 LYS Chi-restraints excluded: chain D residue 1934 SER Chi-restraints excluded: chain D residue 1955 VAL Chi-restraints excluded: chain D residue 1961 PHE Chi-restraints excluded: chain D residue 1966 VAL Chi-restraints excluded: chain D residue 1969 LEU Chi-restraints excluded: chain D residue 1993 ARG Chi-restraints excluded: chain D residue 1995 THR Chi-restraints excluded: chain D residue 1996 ARG Chi-restraints excluded: chain D residue 2020 ASP Chi-restraints excluded: chain D residue 2027 ILE Chi-restraints excluded: chain D residue 2037 ASP Chi-restraints excluded: chain D residue 2039 LEU Chi-restraints excluded: chain D residue 2046 LEU Chi-restraints excluded: chain D residue 2093 SER Chi-restraints excluded: chain D residue 2094 LEU Chi-restraints excluded: chain D residue 2095 GLN Chi-restraints excluded: chain D residue 2097 LEU Chi-restraints excluded: chain D residue 2098 VAL Chi-restraints excluded: chain D residue 2110 TYR Chi-restraints excluded: chain D residue 2111 VAL Chi-restraints excluded: chain D residue 2122 SER Chi-restraints excluded: chain D residue 2131 LEU Chi-restraints excluded: chain D residue 2136 ARG 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 2156 LEU Chi-restraints excluded: chain D residue 2161 GLN Chi-restraints excluded: chain D residue 2166 LEU Chi-restraints excluded: chain D residue 2167 ILE Chi-restraints excluded: chain D residue 2169 GLN Chi-restraints excluded: chain D residue 2170 MET Chi-restraints excluded: chain D residue 2173 GLN Chi-restraints excluded: chain D residue 2175 GLU Chi-restraints excluded: chain D residue 2186 MET Chi-restraints excluded: chain D residue 2187 ASN Chi-restraints excluded: chain D residue 2197 LEU Chi-restraints excluded: chain D residue 2199 ARG Chi-restraints excluded: chain D residue 2221 LYS Chi-restraints excluded: chain D residue 2223 ILE Chi-restraints excluded: chain D residue 2225 PHE Chi-restraints excluded: chain D residue 2227 LYS Chi-restraints excluded: chain D residue 2228 MET Chi-restraints excluded: chain D residue 2229 VAL Chi-restraints excluded: chain D residue 2230 THR Chi-restraints excluded: chain D residue 2231 SER Chi-restraints excluded: chain D residue 2238 TYR Chi-restraints excluded: chain D residue 2241 ARG Chi-restraints excluded: chain D residue 2242 ILE Chi-restraints excluded: chain D residue 2244 ARG Chi-restraints excluded: chain D residue 2245 GLN Chi-restraints excluded: chain D residue 2248 ARG Chi-restraints excluded: chain D residue 2270 SER Chi-restraints excluded: chain D residue 2274 ASP Chi-restraints excluded: chain D residue 2275 VAL Chi-restraints excluded: chain D residue 2280 VAL Chi-restraints excluded: chain D residue 2281 ILE Chi-restraints excluded: chain D residue 2290 LEU Chi-restraints excluded: chain D residue 2293 GLN Chi-restraints excluded: chain D residue 2294 ASP Chi-restraints excluded: chain D residue 2295 LEU Chi-restraints excluded: chain D residue 2296 GLU Chi-restraints excluded: chain D residue 2299 VAL Chi-restraints excluded: chain D residue 2300 SER Chi-restraints excluded: chain D residue 2312 MET Chi-restraints excluded: chain D residue 2316 LYS Chi-restraints excluded: chain D residue 2324 ASN Chi-restraints excluded: chain D residue 2330 ARG Chi-restraints excluded: chain D residue 2333 ASP Chi-restraints excluded: chain D residue 2336 ARG Chi-restraints excluded: chain D residue 2341 VAL Chi-restraints excluded: chain D residue 2345 SER Chi-restraints excluded: chain D residue 2346 VAL Chi-restraints excluded: chain D residue 2352 VAL Chi-restraints excluded: chain D residue 2353 VAL Chi-restraints excluded: chain D residue 2368 LEU Chi-restraints excluded: chain D residue 2387 SER Chi-restraints excluded: chain D residue 2416 VAL Chi-restraints excluded: chain D residue 2423 MET Chi-restraints excluded: chain D residue 2430 ILE Chi-restraints excluded: chain D residue 2442 LEU Chi-restraints excluded: chain D residue 2454 ARG Chi-restraints excluded: chain D residue 2458 ARG Chi-restraints excluded: chain D residue 2460 LEU Chi-restraints excluded: chain D residue 2461 VAL Chi-restraints excluded: chain D residue 2479 LEU Chi-restraints excluded: chain D residue 3644 LEU Chi-restraints excluded: chain D residue 3652 MET Chi-restraints excluded: chain D residue 3656 SER Chi-restraints excluded: chain D residue 3661 TRP Chi-restraints excluded: chain D residue 3662 ILE Chi-restraints excluded: chain D residue 3663 LEU Chi-restraints excluded: chain D residue 3669 PHE Chi-restraints excluded: chain D residue 3670 GLU Chi-restraints excluded: chain D residue 3678 SER Chi-restraints excluded: chain D residue 3694 LYS Chi-restraints excluded: chain D residue 3696 ASP Chi-restraints excluded: chain D residue 3707 ARG Chi-restraints excluded: chain D residue 3711 THR Chi-restraints excluded: chain D residue 3719 ASP Chi-restraints excluded: chain D residue 3732 SER Chi-restraints excluded: chain D residue 3733 CYS Chi-restraints excluded: chain D residue 3752 SER Chi-restraints excluded: chain D residue 3754 GLU Chi-restraints excluded: chain D residue 3764 LEU Chi-restraints excluded: chain D residue 3772 THR Chi-restraints excluded: chain D residue 3779 VAL Chi-restraints excluded: chain D residue 3787 LYS Chi-restraints excluded: chain D residue 3793 MET Chi-restraints excluded: chain D residue 3795 SER Chi-restraints excluded: chain D residue 3803 SER Chi-restraints excluded: chain D residue 3822 ASP Chi-restraints excluded: chain D residue 3826 VAL Chi-restraints excluded: chain D residue 3837 GLN Chi-restraints excluded: chain D residue 3841 VAL Chi-restraints excluded: chain D residue 3850 GLN Chi-restraints excluded: chain D residue 3852 LYS Chi-restraints excluded: chain D residue 3867 ASN Chi-restraints excluded: chain D residue 3869 GLN Chi-restraints excluded: chain D residue 3870 ASN Chi-restraints excluded: chain D residue 3873 LYS Chi-restraints excluded: chain D residue 3874 VAL Chi-restraints excluded: chain D residue 3881 THR Chi-restraints excluded: chain D residue 3893 GLU Chi-restraints excluded: chain D residue 3904 ARG Chi-restraints excluded: chain D residue 3905 THR Chi-restraints excluded: chain D residue 3907 THR Chi-restraints excluded: chain D residue 3916 ILE Chi-restraints excluded: chain D residue 3924 LEU Chi-restraints excluded: chain D residue 3929 SER Chi-restraints excluded: chain D residue 3930 ILE Chi-restraints excluded: chain D residue 3933 PHE Chi-restraints excluded: chain D residue 3938 SER Chi-restraints excluded: chain D residue 3942 VAL Chi-restraints excluded: chain D residue 3945 GLU Chi-restraints excluded: chain D residue 3952 SER Chi-restraints excluded: chain D residue 3967 GLU Chi-restraints excluded: chain D residue 3969 ILE Chi-restraints excluded: chain D residue 3970 GLN Chi-restraints excluded: chain D residue 3995 VAL Chi-restraints excluded: chain D residue 4005 GLN Chi-restraints excluded: chain D residue 4007 SER Chi-restraints excluded: chain D residue 4008 SER Chi-restraints excluded: chain D residue 4014 LYS Chi-restraints excluded: chain D residue 4018 ASP 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 4048 LEU Chi-restraints excluded: chain D residue 4049 VAL Chi-restraints excluded: chain D residue 4051 SER Chi-restraints excluded: chain D residue 4052 SER Chi-restraints excluded: chain D residue 4053 SER Chi-restraints excluded: chain D residue 4055 VAL Chi-restraints excluded: chain D residue 4064 MET Chi-restraints excluded: chain D residue 4067 LYS Chi-restraints excluded: chain D residue 4069 LYS Chi-restraints excluded: chain D residue 4072 VAL Chi-restraints excluded: chain D residue 4075 GLU Chi-restraints excluded: chain D residue 4082 THR Chi-restraints excluded: chain D residue 4088 ILE Chi-restraints excluded: chain D residue 4098 ASP Chi-restraints excluded: chain D residue 4100 GLN Chi-restraints excluded: chain D residue 4106 PRO Chi-restraints excluded: chain D residue 4107 GLU Chi-restraints excluded: chain D residue 4109 GLN Chi-restraints excluded: chain D residue 4110 PHE Chi-restraints excluded: chain D residue 4111 LEU Chi-restraints excluded: chain D residue 4112 LEU Chi-restraints excluded: chain D residue 4113 SER Chi-restraints excluded: chain D residue 4115 SER Chi-restraints excluded: chain D residue 4123 ILE Chi-restraints excluded: chain D residue 4125 PHE Chi-restraints excluded: chain D residue 4127 GLU Chi-restraints excluded: chain D residue 4135 PRO Chi-restraints excluded: chain D residue 4139 ILE Chi-restraints excluded: chain D residue 4145 VAL Chi-restraints excluded: chain D residue 4154 VAL Chi-restraints excluded: chain D residue 4159 ARG Chi-restraints excluded: chain D residue 4170 ILE Chi-restraints excluded: chain D residue 4172 GLU Chi-restraints excluded: chain D residue 4178 LEU Chi-restraints excluded: chain D residue 4184 MET Chi-restraints excluded: chain D residue 4196 GLU Chi-restraints excluded: chain D residue 4200 THR Chi-restraints excluded: chain D residue 4220 ASP Chi-restraints excluded: chain D residue 4221 VAL Chi-restraints excluded: chain D residue 4232 GLU Chi-restraints excluded: chain D residue 4242 ILE Chi-restraints excluded: chain D residue 4244 GLU Chi-restraints excluded: chain D residue 4251 ILE Chi-restraints excluded: chain D residue 4546 VAL 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 4565 LEU Chi-restraints excluded: chain D residue 4582 VAL Chi-restraints excluded: chain D residue 4632 LEU Chi-restraints excluded: chain D residue 4634 GLU Chi-restraints excluded: chain D residue 4645 CYS Chi-restraints excluded: chain D residue 4647 SER Chi-restraints excluded: chain D residue 4653 VAL Chi-restraints excluded: chain D residue 4662 ASN Chi-restraints excluded: chain D residue 4667 PRO Chi-restraints excluded: chain D residue 4669 VAL Chi-restraints excluded: chain D residue 4684 ASP Chi-restraints excluded: chain D residue 4688 ILE Chi-restraints excluded: chain D residue 4689 THR Chi-restraints excluded: chain D residue 4690 GLU Chi-restraints excluded: chain D residue 4694 ASP Chi-restraints excluded: chain D residue 4695 ASP Chi-restraints excluded: chain D residue 4698 LYS Chi-restraints excluded: chain D residue 4704 LEU Chi-restraints excluded: chain D residue 4707 ASN Chi-restraints excluded: chain D residue 4710 SER Chi-restraints excluded: chain D residue 4713 SER Chi-restraints excluded: chain D residue 4718 LYS Chi-restraints excluded: chain D residue 4722 ARG Chi-restraints excluded: chain D residue 4737 ILE Chi-restraints excluded: chain D residue 4741 LEU Chi-restraints excluded: chain D residue 4743 MET Chi-restraints excluded: chain D residue 4745 LEU Chi-restraints excluded: chain D residue 4766 THR Chi-restraints excluded: chain D residue 4788 SER Chi-restraints excluded: chain D residue 4816 ILE Chi-restraints excluded: chain D residue 4818 MET Chi-restraints excluded: chain D residue 4825 THR Chi-restraints excluded: chain D residue 4836 GLN Chi-restraints excluded: chain D residue 4838 VAL Chi-restraints excluded: chain D residue 4850 LEU Chi-restraints excluded: chain D residue 4869 GLU Chi-restraints excluded: chain D residue 4870 ASP Chi-restraints excluded: chain D residue 4874 MET Chi-restraints excluded: chain D residue 4879 MET Chi-restraints excluded: chain D residue 4880 MET Chi-restraints excluded: chain D residue 4881 THR Chi-restraints excluded: chain D residue 4901 ILE Chi-restraints excluded: chain D residue 4918 ILE Chi-restraints excluded: chain D residue 4919 THR Chi-restraints excluded: chain D residue 4948 GLU Chi-restraints excluded: chain D residue 4952 GLU Chi-restraints excluded: chain D residue 4954 MET Chi-restraints excluded: chain D residue 4956 THR Chi-restraints excluded: chain D residue 4957 LYS Chi-restraints excluded: chain D residue 4961 CYS Chi-restraints excluded: chain D residue 4965 SER Chi-restraints excluded: chain D residue 4966 ASP Chi-restraints excluded: chain D residue 4980 LEU Chi-restraints excluded: chain D residue 4992 LEU Chi-restraints excluded: chain D residue 5002 GLU Chi-restraints excluded: chain D residue 5008 SER Chi-restraints excluded: chain D residue 5023 PRO Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 0 random chunks: chunk None optimal weight: 5.9990 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 379 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 383 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 624 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2107 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2260 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2268 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2444 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4094 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4806 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A5003 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 379 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 624 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B1231 GLN ** B2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2193 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2260 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2268 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2444 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4094 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4806 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 379 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 624 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C1231 GLN ** C1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2260 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C2284 ASN ** C2444 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4094 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4806 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C5003 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 624 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D1688 HIS ** D2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2193 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2260 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D2284 ASN ** D2293 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2444 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3869 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3946 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4094 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4806 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D5003 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 5 ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.4157 r_free = 0.4157 target = 0.163083 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 47)----------------| | r_work = 0.3643 r_free = 0.3643 target = 0.118714 restraints weight = 198829.485| |-----------------------------------------------------------------------------| r_work (start): 0.3509 rms_B_bonded: 3.53 r_work: 0.2876 rms_B_bonded: 3.21 restraints_weight: 0.5000 r_work (final): 0.2876 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8415 moved from start: 0.8959 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.060 0.669 113365 Z= 3.864 Angle : 2.909 42.532 154462 Z= 1.536 Chirality : 0.185 1.325 18087 Planarity : 0.021 0.437 20349 Dihedral : 14.414 177.383 17057 Min Nonbonded Distance : 0.739 Molprobity Statistics. All-atom Clashscore : 52.46 Ramachandran Plot: Outliers : 2.60 % Allowed : 26.66 % Favored : 70.75 % Rotamer: Outliers : 23.20 % Allowed : 25.39 % Favored : 51.40 % Cbeta Deviations : 0.99 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 6.21 % Twisted General : 2.90 % 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: -6.91 (0.05), residues: 12368 helix: -4.29 (0.04), residues: 5692 sheet: -3.61 (0.12), residues: 1344 loop : -5.15 (0.06), residues: 5332 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.092 0.012 TRP D4767 HIS 0.041 0.007 HIS C4650 PHE 0.106 0.013 PHE A4103 TYR 0.087 0.012 TYR A 359 ARG 0.032 0.003 ARG C4892 Origin is already at (0, 0, 0), no shifts will be applied =============================================================================== Job complete usr+sys time: 72114.37 seconds wall clock time: 1230 minutes 51.19 seconds (73851.19 seconds total)