Starting phenix.real_space_refine on Thu Feb 15 16:36:25 2024 by dcliebschner =============================================================================== Processing files: ------------------------------------------------------------------------------- Found model, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7tdg_25828/02_2024/7tdg_25828_updated.pdb Found real_map, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7tdg_25828/02_2024/7tdg_25828.map Processing PHIL parameters: ------------------------------------------------------------------------------- Adding command-line PHIL: ------------------------- refinement.macro_cycles=10 scattering_table=electron resolution=3.8 write_initial_geo_file=False Final processed PHIL parameters: ------------------------------------------------------------------------------- data_manager { real_map_files = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7tdg_25828/02_2024/7tdg_25828.map" default_real_map = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7tdg_25828/02_2024/7tdg_25828.map" model { file = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7tdg_25828/02_2024/7tdg_25828_updated.pdb" } default_model = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7tdg_25828/02_2024/7tdg_25828_updated.pdb" } resolution = 3.8 write_initial_geo_file = False refinement { macro_cycles = 10 } qi { qm_restraints { package { program = *test } } } Starting job =============================================================================== ------------------------------------------------------------------------------- Citation: ********* Afonine PV, Poon BK, Read RJ, Sobolev OV, Terwilliger TC, Urzhumtsev A, Adams PD. (2018) Real-space refinement in PHENIX for cryo-EM and crystallography. Acta Cryst. D74:531-544. Validating inputs Origin is already at (0, 0, 0), no shifts will be applied ------------------------------------------------------------------------------- Processing inputs ***************** Set random seed Set to: 0 Set model cs if undefined Decide on map wrapping Map wrapping is set to: False Normalize map: mean=0, sd=1 Input map: mean= 0.001 sd= 0.009 Set stop_for_unknowns flag Set to: True Assert model is a single copy model Assert all atoms have isotropic ADPs Construct map_model_manager Extract box with map and model Check model and map are aligned Set scattering table Set to: electron Number of scattering types: 7 Type Number sf(0) Gaussians Ca 8 9.91 5 Zn 4 6.06 5 P 16 5.49 5 S 628 5.16 5 C 74290 2.51 5 N 20743 2.21 5 O 21656 1.98 5 sf(0) = scattering factor at diffraction angle 0. Process input model Symmetric amino acids flipped Residue "A GLU 19": "OE1" <-> "OE2" Residue "A GLU 139": "OE1" <-> "OE2" Residue "A GLU 159": "OE1" <-> "OE2" Residue "A GLU 555": "OE1" <-> "OE2" Residue "A GLU 562": "OE1" <-> "OE2" Residue "A GLU 580": "OE1" <-> "OE2" Residue "A GLU 1944": "OE1" <-> "OE2" Residue "A GLU 2115": "OE1" <-> "OE2" Residue "A GLU 2347": "OE1" <-> "OE2" Residue "A GLU 2348": "OE1" <-> "OE2" Residue "A GLU 2803": "OE1" <-> "OE2" Residue "A GLU 2915": "OE1" <-> "OE2" Residue "A GLU 3665": "OE1" <-> "OE2" Residue "A GLU 3777": "OE1" <-> "OE2" Residue "A GLU 3789": "OE1" <-> "OE2" Residue "A GLU 3811": "OE1" <-> "OE2" Residue "A GLU 3848": "OE1" <-> "OE2" Residue "A GLU 3893": "OE1" <-> "OE2" Residue "A GLU 3928": "OE1" <-> "OE2" Residue "A GLU 4015": "OE1" <-> "OE2" Residue "A PHE 4631": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A GLU 4739": "OE1" <-> "OE2" Residue "A TYR 4849": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A GLU 4976": "OE1" <-> "OE2" Residue "A GLU 4982": "OE1" <-> "OE2" Residue "C GLU 19": "OE1" <-> "OE2" Residue "C GLU 139": "OE1" <-> "OE2" Residue "C GLU 159": "OE1" <-> "OE2" Residue "C GLU 555": "OE1" <-> "OE2" Residue "C GLU 562": "OE1" <-> "OE2" Residue "C GLU 580": "OE1" <-> "OE2" Residue "C TYR 640": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C GLU 1944": "OE1" <-> "OE2" Residue "C GLU 2347": "OE1" <-> "OE2" Residue "C GLU 2348": "OE1" <-> "OE2" Residue "C GLU 2803": "OE1" <-> "OE2" Residue "C GLU 2915": "OE1" <-> "OE2" Residue "C GLU 3665": "OE1" <-> "OE2" Residue "C GLU 3777": "OE1" <-> "OE2" Residue "C GLU 3789": "OE1" <-> "OE2" Residue "C GLU 3893": "OE1" <-> "OE2" Residue "C GLU 3928": "OE1" <-> "OE2" Residue "C GLU 4015": "OE1" <-> "OE2" Residue "C TYR 4629": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C PHE 4631": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C TYR 4849": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C GLU 4976": "OE1" <-> "OE2" Residue "C GLU 4982": "OE1" <-> "OE2" Residue "D GLU 19": "OE1" <-> "OE2" Residue "D GLU 139": "OE1" <-> "OE2" Residue "D GLU 562": "OE1" <-> "OE2" Residue "D TYR 640": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D GLU 1944": "OE1" <-> "OE2" Residue "D GLU 2115": "OE1" <-> "OE2" Residue "D GLU 2348": "OE1" <-> "OE2" Residue "D GLU 2803": "OE1" <-> "OE2" Residue "D GLU 2915": "OE1" <-> "OE2" Residue "D GLU 3665": "OE1" <-> "OE2" Residue "D GLU 3777": "OE1" <-> "OE2" Residue "D GLU 3789": "OE1" <-> "OE2" Residue "D GLU 3811": "OE1" <-> "OE2" Residue "D GLU 3893": "OE1" <-> "OE2" Residue "D GLU 3928": "OE1" <-> "OE2" Residue "D GLU 4015": "OE1" <-> "OE2" Residue "D TYR 4629": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D PHE 4631": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D TYR 4849": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D GLU 4900": "OE1" <-> "OE2" Residue "D GLU 4982": "OE1" <-> "OE2" Residue "B GLU 19": "OE1" <-> "OE2" Residue "B GLU 139": "OE1" <-> "OE2" Residue "B GLU 555": "OE1" <-> "OE2" Residue "B GLU 562": "OE1" <-> "OE2" Residue "B TYR 640": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B ARG 1797": "NH1" <-> "NH2" Residue "B GLU 1944": "OE1" <-> "OE2" Residue "B GLU 1956": "OE1" <-> "OE2" Residue "B GLU 2115": "OE1" <-> "OE2" Residue "B GLU 2347": "OE1" <-> "OE2" Residue "B GLU 2348": "OE1" <-> "OE2" Residue "B GLU 2803": "OE1" <-> "OE2" Residue "B GLU 2915": "OE1" <-> "OE2" Residue "B GLU 3665": "OE1" <-> "OE2" Residue "B GLU 3777": "OE1" <-> "OE2" Residue "B GLU 3789": "OE1" <-> "OE2" Residue "B GLU 3848": "OE1" <-> "OE2" Residue "B GLU 3893": "OE1" <-> "OE2" Residue "B GLU 3928": "OE1" <-> "OE2" Residue "B GLU 4015": "OE1" <-> "OE2" Residue "B TYR 4629": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B PHE 4631": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B TYR 4849": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B ARG 4892": "NH1" <-> "NH2" Residue "B GLU 4976": "OE1" <-> "OE2" Residue "B GLU 4982": "OE1" <-> "OE2" Time to flip residues: 0.31s Monomer Library directory: "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5238/modules/chem_data/mon_lib" Total number of atoms: 117345 Number of models: 1 Model: "" Number of chains: 8 Chain: "A" Number of atoms: 29247 Number of conformers: 1 Conformer: "" Number of residues, atoms: 4134, 29247 Classifications: {'peptide': 4134} Modifications used: {'COO': 1} Incomplete info: {'truncation_to_alanine': 1200} Link IDs: {'PTRANS': 152, 'TRANS': 3981} Chain breaks: 24 Unresolved chain link angles: 2 Unresolved non-hydrogen bonds: 2879 Unresolved non-hydrogen angles: 4042 Unresolved non-hydrogen dihedrals: 1770 Unresolved non-hydrogen chiralities: 46 Planarities with less than four sites: {'GLN:plan1': 16, 'UNK:plan-1': 900, 'ASP:plan': 37, 'TYR:plan': 2, 'ASN:plan1': 13, 'TRP:plan': 4, 'HIS:plan': 5, 'PHE:plan': 4, 'GLU:plan': 77, 'ARG:plan': 28} Unresolved non-hydrogen planarities: 1661 Chain: "C" Number of atoms: 29244 Number of conformers: 1 Conformer: "" Number of residues, atoms: 4134, 29244 Classifications: {'peptide': 4134} Modifications used: {'COO': 1} Incomplete info: {'truncation_to_alanine': 1200} Link IDs: {'PTRANS': 152, 'TRANS': 3981} Chain breaks: 24 Unresolved chain link angles: 2 Unresolved non-hydrogen bonds: 2882 Unresolved non-hydrogen angles: 4045 Unresolved non-hydrogen dihedrals: 1773 Unresolved non-hydrogen chiralities: 45 Planarities with less than four sites: {'GLN:plan1': 16, 'UNK:plan-1': 900, 'ASP:plan': 37, 'TYR:plan': 2, 'ASN:plan1': 13, 'TRP:plan': 4, 'HIS:plan': 5, 'PHE:plan': 4, 'GLU:plan': 77, 'ARG:plan': 29} Unresolved non-hydrogen planarities: 1666 Chain: "D" Number of atoms: 29228 Number of conformers: 1 Conformer: "" Number of residues, atoms: 4134, 29228 Classifications: {'peptide': 4134} Modifications used: {'COO': 1} Incomplete info: {'truncation_to_alanine': 1204} Link IDs: {'PTRANS': 152, 'TRANS': 3981} Chain breaks: 24 Unresolved chain link angles: 2 Unresolved non-hydrogen bonds: 2898 Unresolved non-hydrogen angles: 4065 Unresolved non-hydrogen dihedrals: 1785 Unresolved non-hydrogen chiralities: 47 Planarities with less than four sites: {'GLN:plan1': 16, 'UNK:plan-1': 900, 'ASP:plan': 37, 'TYR:plan': 2, 'ASN:plan1': 13, 'TRP:plan': 4, 'HIS:plan': 5, 'PHE:plan': 4, 'GLU:plan': 78, 'ARG:plan': 30} Unresolved non-hydrogen planarities: 1675 Chain: "B" Number of atoms: 29246 Number of conformers: 1 Conformer: "" Number of residues, atoms: 4134, 29246 Classifications: {'peptide': 4134} Modifications used: {'COO': 1} Incomplete info: {'truncation_to_alanine': 1200} Link IDs: {'PTRANS': 152, 'TRANS': 3981} Chain breaks: 24 Unresolved chain link angles: 2 Unresolved non-hydrogen bonds: 2880 Unresolved non-hydrogen angles: 4043 Unresolved non-hydrogen dihedrals: 1771 Unresolved non-hydrogen chiralities: 45 Planarities with less than four sites: {'GLN:plan1': 16, 'UNK:plan-1': 900, 'ASP:plan': 37, 'TYR:plan': 2, 'ASN:plan1': 13, 'TRP:plan': 4, 'HIS:plan': 5, 'PHE:plan': 4, 'GLU:plan': 78, 'ARG:plan': 28} Unresolved non-hydrogen planarities: 1665 Chain: "A" Number of atoms: 95 Number of conformers: 1 Conformer: "" Number of residues, atoms: 6, 95 Unusual residues: {' CA': 2, ' ZN': 1, 'ACP': 1, 'POV': 2} Classifications: {'undetermined': 6} Link IDs: {None: 5} Unresolved non-hydrogen bonds: 44 Unresolved non-hydrogen angles: 54 Unresolved non-hydrogen dihedrals: 40 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'POV:plan-3': 1, 'POV:plan-2': 1, 'POV:plan-1': 1} Unresolved non-hydrogen planarities: 10 Chain: "C" Number of atoms: 111 Number of conformers: 1 Conformer: "" Number of residues, atoms: 7, 111 Unusual residues: {' CA': 2, ' ZN': 1, 'ACP': 1, 'POV': 3} Classifications: {'undetermined': 7} Link IDs: {None: 6} Unresolved non-hydrogen bonds: 81 Unresolved non-hydrogen angles: 101 Unresolved non-hydrogen dihedrals: 73 Unresolved non-hydrogen chiralities: 2 Planarities with less than four sites: {'POV:plan-3': 2, 'POV:plan-2': 2, 'POV:plan-1': 2} Unresolved non-hydrogen planarities: 20 Chain: "D" Number of atoms: 79 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 79 Unusual residues: {' CA': 2, ' ZN': 1, 'ACP': 1, 'POV': 1} Classifications: {'undetermined': 5} Link IDs: {None: 4} Unresolved non-hydrogen bonds: 7 Unresolved non-hydrogen angles: 7 Unresolved non-hydrogen dihedrals: 7 Chain: "B" Number of atoms: 95 Number of conformers: 1 Conformer: "" Number of residues, atoms: 6, 95 Unusual residues: {' CA': 2, ' ZN': 1, 'ACP': 1, 'POV': 2} Classifications: {'undetermined': 6} Link IDs: {None: 5} Unresolved non-hydrogen bonds: 44 Unresolved non-hydrogen angles: 54 Unresolved non-hydrogen dihedrals: 40 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'POV:plan-3': 1, 'POV:plan-2': 1, 'POV:plan-1': 1} Unresolved non-hydrogen planarities: 10 List of CYS excluded from plausible disulfide bonds: (reason: may participate in coordination) ATOM 28572 SG CYS A4958 180.001 205.446 101.633 1.00 44.07 S ATOM 28597 SG CYS A4961 178.459 204.576 98.160 1.00 55.95 S ATOM 57816 SG CYS C4958 206.635 181.010 101.616 1.00 45.51 S ATOM 57841 SG CYS C4961 208.431 182.300 98.433 1.00 58.59 S ATOM 87044 SG CYS D4958 205.431 206.761 101.625 1.00 44.61 S ATOM 87069 SG CYS D4961 204.550 208.298 98.154 1.00 57.76 S ATOM A0CKI SG CYS B4958 181.408 180.189 101.673 1.00 46.27 S ATOM A0CL7 SG CYS B4961 182.423 178.299 98.126 1.00 61.17 S Time building chain proxies: 44.01, per 1000 atoms: 0.38 Number of scatterers: 117345 At special positions: 0 Unit cell: (387.855, 387.855, 193.375, 90, 90, 90) Space group: P 1 (No. 1) Number of sites at special positions: 0 Number of scattering types: 7 Type Number sf(0) Zn 4 29.99 Ca 8 19.99 S 628 16.00 P 16 15.00 O 21656 8.00 N 20743 7.00 C 74290 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=2.04 Simple disulfide: pdb=" SG CYS C4876 " - pdb=" SG CYS C4882 " distance=2.04 Simple disulfide: pdb=" SG CYS D4876 " - pdb=" SG CYS D4882 " distance=2.04 Simple disulfide: pdb=" SG CYS B4876 " - pdb=" SG CYS B4882 " distance=2.04 Automatic linking Parameters for automatic linking Linking & cutoffs Metal : Auto - 3.50 Amino acid : False - 1.90 Carbohydrate : True - 1.99 Ligands : True - 1.99 Small molecules : False - 1.98 Amino acid - RNA/DNA : False Number of custom bonds: simple=0, symmetry=0 Time building additional restraints: 33.38 Conformation dependent library (CDL) restraints added in 13.2 seconds Dynamic metal coordination Zn2+ tetrahedral coordination pdb=" ZN A5101 " pdb="ZN ZN A5101 " - pdb=" NE2 HIS A4983 " pdb="ZN ZN A5101 " - pdb=" NE2 HIS A4978 " pdb="ZN ZN A5101 " - pdb=" SG CYS A4961 " pdb="ZN ZN A5101 " - pdb=" SG CYS A4958 " pdb=" ZN B5101 " pdb="ZN ZN B5101 " - pdb=" SG CYS B4961 " pdb="ZN ZN B5101 " - pdb=" NE2 HIS B4983 " pdb="ZN ZN B5101 " - pdb=" NE2 HIS B4978 " pdb="ZN ZN B5101 " - pdb=" SG CYS B4958 " pdb=" ZN C5101 " pdb="ZN ZN C5101 " - pdb=" NE2 HIS C4983 " pdb="ZN ZN C5101 " - pdb=" NE2 HIS C4978 " pdb="ZN ZN C5101 " - pdb=" SG CYS C4961 " pdb="ZN ZN C5101 " - pdb=" SG CYS C4958 " pdb=" ZN D5101 " pdb="ZN ZN D5101 " - pdb=" NE2 HIS D4983 " pdb="ZN ZN D5101 " - pdb=" NE2 HIS D4978 " pdb="ZN ZN D5101 " - pdb=" SG CYS D4961 " pdb="ZN ZN D5101 " - pdb=" SG CYS D4958 " Number of angles added : 8 25616 Ramachandran restraints generated. 12808 Oldfield, 0 Emsley, 12808 emsley8k and 0 Phi/Psi/2. Adding C-beta torsion restraints... Number of C-beta restraints generated: 31360 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: 488 helices and 56 sheets defined 54.4% alpha, 6.8% beta 0 base pairs and 0 stacking pairs defined. Time for finding SS restraints: 29.24 Creating SS restraints... Processing helix chain 'A' and resid 61 through 66 removed outlier: 4.451A pdb=" N CYS A 65 " --> pdb=" O ASP A 61 " (cutoff:3.500A) Processing helix chain 'A' and resid 74 through 84 removed outlier: 3.640A pdb=" N GLU A 80 " --> pdb=" O ARG A 76 " (cutoff:3.500A) Processing helix chain 'A' and resid 251 through 256 removed outlier: 4.818A pdb=" N HIS A 255 " --> pdb=" O ALA A 251 " (cutoff:3.500A) removed outlier: 5.714A 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: 6.181A pdb=" N THR A 312 " --> pdb=" O HIS A 308 " (cutoff:3.500A) removed outlier: 4.611A pdb=" N SER A 313 " --> pdb=" O THR A 309 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 308 through 313' Processing helix chain 'A' and resid 364 through 371 removed outlier: 3.679A pdb=" N LEU A 369 " --> pdb=" O LYS A 365 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N GLY A 370 " --> pdb=" O ALA A 366 " (cutoff:3.500A) removed outlier: 5.724A pdb=" N VAL A 371 " --> pdb=" O LEU A 367 " (cutoff:3.500A) Processing helix chain 'A' and resid 396 through 423 removed outlier: 3.780A pdb=" N ASP A 419 " --> pdb=" O ILE A 415 " (cutoff:3.500A) removed outlier: 4.172A pdb=" N SER A 420 " --> pdb=" O LYS A 416 " (cutoff:3.500A) removed outlier: 5.119A pdb=" N PHE A 421 " --> pdb=" O GLY A 417 " (cutoff:3.500A) removed outlier: 4.542A pdb=" N SER A 422 " --> pdb=" O LEU A 418 " (cutoff:3.500A) removed outlier: 5.103A pdb=" N GLY A 423 " --> pdb=" O ASP A 419 " (cutoff:3.500A) Processing helix chain 'A' and resid 437 through 453 removed outlier: 4.120A pdb=" N VAL A 441 " --> pdb=" O PRO A 437 " (cutoff:3.500A) removed outlier: 3.939A pdb=" N ILE A 442 " --> pdb=" O ILE A 438 " (cutoff:3.500A) removed outlier: 3.599A pdb=" N LEU A 443 " --> pdb=" O GLU A 439 " (cutoff:3.500A) removed outlier: 3.555A pdb=" N PHE A 452 " --> pdb=" O LEU A 448 " (cutoff:3.500A) removed outlier: 3.773A pdb=" N GLU A 453 " --> pdb=" O ILE A 449 " (cutoff:3.500A) Processing helix chain 'A' and resid 460 through 482 removed outlier: 4.170A pdb=" N SER A 466 " --> pdb=" O GLU A 462 " (cutoff:3.500A) removed outlier: 3.526A pdb=" N GLN A 479 " --> pdb=" O GLN A 475 " (cutoff:3.500A) removed outlier: 3.893A pdb=" N GLU A 480 " --> pdb=" O SER A 476 " (cutoff:3.500A) removed outlier: 4.340A pdb=" N GLU A 481 " --> pdb=" O LEU A 477 " (cutoff:3.500A) removed outlier: 4.452A pdb=" N GLY A 482 " --> pdb=" O PHE A 478 " (cutoff:3.500A) Processing helix chain 'A' and resid 483 through 496 removed outlier: 4.510A pdb=" N VAL A 487 " --> pdb=" O MET A 483 " (cutoff:3.500A) removed outlier: 3.946A pdb=" N CYS A 490 " --> pdb=" O LEU A 486 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N VAL A 496 " --> pdb=" O ASP A 492 " (cutoff:3.500A) Processing helix chain 'A' and resid 512 through 531 removed outlier: 4.292A pdb=" N LYS A 516 " --> pdb=" O ALA A 512 " (cutoff:3.500A) removed outlier: 4.691A pdb=" N GLU A 517 " --> pdb=" O GLU A 513 " (cutoff:3.500A) removed outlier: 3.538A pdb=" N TYR A 523 " --> pdb=" O VAL A 519 " (cutoff:3.500A) removed outlier: 3.611A pdb=" N GLU A 524 " --> pdb=" O ASN A 520 " (cutoff:3.500A) Processing helix chain 'A' and resid 533 through 541 removed outlier: 3.581A pdb=" N CYS A 537 " --> pdb=" O ASN A 533 " (cutoff:3.500A) removed outlier: 3.544A pdb=" N ALA A 538 " --> pdb=" O ARG A 534 " (cutoff:3.500A) removed outlier: 4.350A pdb=" N LEU A 539 " --> pdb=" O ALA A 535 " (cutoff:3.500A) removed outlier: 4.880A pdb=" N PHE A 540 " --> pdb=" O ASN A 536 " (cutoff:3.500A) removed outlier: 5.408A pdb=" N SER A 541 " --> pdb=" O CYS A 537 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 533 through 541' Processing helix chain 'A' and resid 543 through 551 removed outlier: 3.999A pdb=" N LYS A 550 " --> pdb=" O TRP A 546 " (cutoff:3.500A) removed outlier: 4.903A pdb=" N LEU A 551 " --> pdb=" O VAL A 547 " (cutoff:3.500A) Processing helix chain 'A' and resid 556 through 571 removed outlier: 3.752A pdb=" N ILE A 560 " --> pdb=" O ALA A 556 " (cutoff:3.500A) removed outlier: 3.773A pdb=" N LEU A 561 " --> pdb=" O SER A 557 " (cutoff:3.500A) removed outlier: 3.634A pdb=" N VAL A 567 " --> pdb=" O VAL A 563 " (cutoff:3.500A) removed outlier: 3.663A pdb=" N LEU A 568 " --> pdb=" O LEU A 564 " (cutoff:3.500A) removed outlier: 4.012A pdb=" N ILE A 569 " --> pdb=" O TYR A 565 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N GLU A 570 " --> pdb=" O CYS A 566 " (cutoff:3.500A) Processing helix chain 'A' and resid 572 through 578 removed outlier: 4.346A pdb=" N ASN A 576 " --> pdb=" O PRO A 572 " (cutoff:3.500A) removed outlier: 4.331A pdb=" N ILE A 577 " --> pdb=" O GLU A 573 " (cutoff:3.500A) removed outlier: 3.936A pdb=" N ILE A 578 " --> pdb=" O VAL A 574 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 572 through 578' Processing helix chain 'A' and resid 579 through 594 removed outlier: 3.644A pdb=" N LEU A 590 " --> pdb=" O ILE A 586 " (cutoff:3.500A) removed outlier: 3.663A pdb=" N ASP A 591 " --> pdb=" O ILE A 587 " (cutoff:3.500A) Processing helix chain 'A' and resid 596 through 609 removed outlier: 4.124A pdb=" N LEU A 600 " --> pdb=" O ASN A 596 " (cutoff:3.500A) removed outlier: 3.768A pdb=" N ASP A 601 " --> pdb=" O HIS A 597 " (cutoff:3.500A) removed outlier: 3.506A pdb=" N LEU A 606 " --> pdb=" O VAL A 602 " (cutoff:3.500A) removed outlier: 4.095A pdb=" N CYS A 607 " --> pdb=" O LEU A 603 " (cutoff:3.500A) removed outlier: 4.245A pdb=" N VAL A 608 " --> pdb=" O CYS A 604 " (cutoff:3.500A) removed outlier: 4.661A pdb=" N CYS A 609 " --> pdb=" O SER A 605 " (cutoff:3.500A) Processing helix chain 'A' and resid 614 through 625 removed outlier: 4.156A pdb=" N GLN A 618 " --> pdb=" O VAL A 614 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N THR A 622 " --> pdb=" O GLN A 618 " (cutoff:3.500A) Processing helix chain 'A' and resid 868 through 890 removed outlier: 4.147A pdb=" N GLU A 872 " --> pdb=" O GLU A 868 " (cutoff:3.500A) removed outlier: 4.339A pdb=" N LYS A 873 " --> pdb=" O ARG A 869 " (cutoff:3.500A) removed outlier: 3.719A pdb=" N TRP A 882 " --> pdb=" O ILE A 878 " (cutoff:3.500A) removed outlier: 4.046A pdb=" N ALA A 883 " --> pdb=" O HIS A 879 " (cutoff:3.500A) removed outlier: 4.550A pdb=" N GLU A 888 " --> pdb=" O LEU A 884 " (cutoff:3.500A) removed outlier: 5.361A pdb=" N GLN A 889 " --> pdb=" O THR A 885 " (cutoff:3.500A) Processing helix chain 'A' and resid 914 through 935 removed outlier: 5.325A pdb=" N LEU A 935 " --> pdb=" O THR A 931 " (cutoff:3.500A) Processing helix chain 'A' and resid 943 through 948 removed outlier: 6.413A pdb=" N GLU A 947 " --> pdb=" O ASP A 943 " (cutoff:3.500A) removed outlier: 3.917A pdb=" N ASP A 948 " --> pdb=" O GLU A 944 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 943 through 948' Processing helix chain 'A' and resid 956 through 961 Processing helix chain 'A' and resid 978 through 999 removed outlier: 3.973A pdb=" N THR A 982 " --> pdb=" O THR A 978 " (cutoff:3.500A) removed outlier: 3.776A pdb=" N VAL A 985 " --> pdb=" O GLN A 981 " (cutoff:3.500A) removed outlier: 3.830A pdb=" N ASP A 986 " --> pdb=" O THR A 982 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N ARG A 987 " --> pdb=" O THR A 983 " (cutoff:3.500A) removed outlier: 4.406A pdb=" N ASP A 999 " --> pdb=" O VAL A 995 " (cutoff:3.500A) Processing helix chain 'A' and resid 1000 through 1005 Processing helix chain 'A' and resid 1030 through 1047 removed outlier: 3.661A pdb=" N ASP A1037 " --> pdb=" O ARG A1033 " (cutoff:3.500A) removed outlier: 4.245A pdb=" N SER A1038 " --> pdb=" O SER A1034 " (cutoff:3.500A) removed outlier: 4.016A pdb=" N LEU A1039 " --> pdb=" O ASN A1035 " (cutoff:3.500A) removed outlier: 4.185A pdb=" N THR A1045 " --> pdb=" O GLN A1041 " (cutoff:3.500A) removed outlier: 4.182A pdb=" N LEU A1046 " --> pdb=" O ALA A1042 " (cutoff:3.500A) Processing helix chain 'A' and resid 1574 through 1581 removed outlier: 4.124A pdb=" N ALA A1578 " --> pdb=" O PRO A1574 " (cutoff:3.500A) removed outlier: 3.939A pdb=" N MET A1579 " --> pdb=" O LEU A1575 " (cutoff:3.500A) removed outlier: 3.687A pdb=" N PHE A1580 " --> pdb=" O SER A1576 " (cutoff:3.500A) removed outlier: 3.692A pdb=" N LEU A1581 " --> pdb=" O ALA A1577 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 1574 through 1581' Processing helix chain 'A' and resid 1649 through 1654 removed outlier: 4.245A pdb=" N LEU A1653 " --> pdb=" O ASP A1649 " (cutoff:3.500A) removed outlier: 5.302A pdb=" N SER A1654 " --> pdb=" O ILE A1650 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 1649 through 1654' Processing helix chain 'A' and resid 1656 through 1675 removed outlier: 5.924A pdb=" N GLN A1660 " --> pdb=" O ARG A1656 " (cutoff:3.500A) removed outlier: 4.807A pdb=" N ARG A1661 " --> pdb=" O LEU A1657 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N CYS A1674 " --> pdb=" O TYR A1670 " (cutoff:3.500A) Processing helix chain 'A' and resid 1678 through 1690 removed outlier: 4.708A pdb=" N ALA A1682 " --> pdb=" O ASN A1678 " (cutoff:3.500A) removed outlier: 4.071A pdb=" N HIS A1683 " --> pdb=" O ASN A1679 " (cutoff:3.500A) removed outlier: 3.977A pdb=" N ALA A1684 " --> pdb=" O ARG A1680 " (cutoff:3.500A) removed outlier: 3.504A pdb=" N HIS A1688 " --> pdb=" O ALA A1684 " (cutoff:3.500A) removed outlier: 3.944A pdb=" N ASP A1690 " --> pdb=" O CYS A1686 " (cutoff:3.500A) Processing helix chain 'A' and resid 1691 through 1700 removed outlier: 3.715A pdb=" N LEU A1698 " --> pdb=" O LEU A1694 " (cutoff:3.500A) removed outlier: 4.253A pdb=" N GLU A1699 " --> pdb=" O LEU A1695 " (cutoff:3.500A) removed outlier: 4.095A pdb=" N ASP A1700 " --> pdb=" O HIS A1696 " (cutoff:3.500A) Processing helix chain 'A' and resid 1704 through 1719 removed outlier: 6.763A pdb=" N ARG A1708 " --> pdb=" O PRO A1704 " (cutoff:3.500A) removed outlier: 3.896A pdb=" N ALA A1709 " --> pdb=" O GLY A1705 " (cutoff:3.500A) removed outlier: 3.660A pdb=" N HIS A1719 " --> pdb=" O LEU A1715 " (cutoff:3.500A) Processing helix chain 'A' and resid 1720 through 1732 removed outlier: 4.385A pdb=" N SER A1732 " --> pdb=" O ARG A1728 " (cutoff:3.500A) Processing helix chain 'A' and resid 1739 through 1745 removed outlier: 4.315A pdb=" N ILE A1745 " --> pdb=" O GLU A1741 " (cutoff:3.500A) Processing helix chain 'A' and resid 1754 through 1759 removed outlier: 4.437A pdb=" N ARG A1759 " --> pdb=" O GLY A1755 " (cutoff:3.500A) Processing helix chain 'A' and resid 1803 through 1825 removed outlier: 3.758A pdb=" N LEU A1807 " --> pdb=" O PRO A1803 " (cutoff:3.500A) removed outlier: 3.718A pdb=" N ASP A1809 " --> pdb=" O GLU A1805 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N LEU A1812 " --> pdb=" O ARG A1808 " (cutoff:3.500A) removed outlier: 3.663A pdb=" N VAL A1819 " --> pdb=" O LEU A1815 " (cutoff:3.500A) removed outlier: 3.869A pdb=" N ARG A1820 " --> pdb=" O GLY A1816 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N GLN A1824 " --> pdb=" O ARG A1820 " (cutoff:3.500A) removed outlier: 4.573A pdb=" N HIS A1825 " --> pdb=" O ASP A1821 " (cutoff:3.500A) Processing helix chain 'A' and resid 1833 through 1852 Proline residue: A1840 - end of helix removed outlier: 3.533A pdb=" N MET A1851 " --> pdb=" O THR A1847 " (cutoff:3.500A) removed outlier: 3.579A pdb=" N GLY A1852 " --> pdb=" O LEU A1848 " (cutoff:3.500A) Processing helix chain 'A' and resid 1855 through 1865 removed outlier: 4.352A pdb=" N MET A1865 " --> pdb=" O GLN A1861 " (cutoff:3.500A) Processing helix chain 'A' and resid 1866 through 1871 removed outlier: 3.628A pdb=" N PHE A1871 " --> pdb=" O GLU A1867 " (cutoff:3.500A) Processing helix chain 'A' and resid 1934 through 1984 removed outlier: 4.062A pdb=" N GLN A1938 " --> pdb=" O SER A1934 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N TYR A1945 " --> pdb=" O ASN A1941 " (cutoff:3.500A) removed outlier: 3.803A pdb=" N PHE A1946 " --> pdb=" O LEU A1942 " (cutoff:3.500A) removed outlier: 3.795A pdb=" N GLU A1950 " --> pdb=" O PHE A1946 " (cutoff:3.500A) removed outlier: 3.814A pdb=" N LEU A1951 " --> pdb=" O CYS A1947 " (cutoff:3.500A) removed outlier: 3.645A pdb=" N GLU A1963 " --> pdb=" O ALA A1959 " (cutoff:3.500A) removed outlier: 3.852A pdb=" N ARG A1964 " --> pdb=" O ALA A1960 " (cutoff:3.500A) removed outlier: 3.612A pdb=" N SER A1975 " --> pdb=" O ALA A1971 " (cutoff:3.500A) removed outlier: 5.217A pdb=" N PHE A1984 " --> pdb=" O LEU A1980 " (cutoff:3.500A) Processing helix chain 'A' and resid 1987 through 1999 removed outlier: 4.145A pdb=" N ARG A1996 " --> pdb=" O ALA A1992 " (cutoff:3.500A) removed outlier: 4.762A pdb=" N GLU A1997 " --> pdb=" O ARG A1993 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N PHE A1998 " --> pdb=" O ARG A1994 " (cutoff:3.500A) Processing helix chain 'A' and resid 2001 through 2015 removed outlier: 3.695A pdb=" N LEU A2009 " --> pdb=" O GLN A2005 " (cutoff:3.500A) removed outlier: 3.999A pdb=" N LEU A2010 " --> pdb=" O ILE A2006 " (cutoff:3.500A) removed outlier: 3.675A pdb=" N HIS A2011 " --> pdb=" O ASN A2007 " (cutoff:3.500A) removed outlier: 3.690A pdb=" N PHE A2012 " --> pdb=" O MET A2008 " (cutoff:3.500A) removed outlier: 3.555A pdb=" N LYS A2013 " --> pdb=" O LEU A2009 " (cutoff:3.500A) removed outlier: 3.929A pdb=" N GLU A2015 " --> pdb=" O HIS A2011 " (cutoff:3.500A) Processing helix chain 'A' and resid 2027 through 2043 removed outlier: 4.807A pdb=" N LEU A2031 " --> pdb=" O ILE A2027 " (cutoff:3.500A) removed outlier: 3.844A pdb=" N GLN A2032 " --> pdb=" O ARG A2028 " (cutoff:3.500A) removed outlier: 4.619A pdb=" N GLY A2043 " --> pdb=" O LEU A2039 " (cutoff:3.500A) Processing helix chain 'A' and resid 2093 through 2109 removed outlier: 3.698A pdb=" N VAL A2103 " --> pdb=" O SER A2099 " (cutoff:3.500A) removed outlier: 4.076A pdb=" N ASP A2109 " --> pdb=" O TRP A2105 " (cutoff:3.500A) Processing helix chain 'A' and resid 2113 through 2130 removed outlier: 3.738A pdb=" N VAL A2117 " --> pdb=" O SER A2113 " (cutoff:3.500A) removed outlier: 3.803A 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: 5.685A pdb=" N TYR A2142 " --> pdb=" O LEU A2138 " (cutoff:3.500A) Processing helix chain 'A' and resid 2148 through 2169 removed outlier: 3.714A pdb=" N THR A2152 " --> pdb=" O SER A2148 " (cutoff:3.500A) removed outlier: 3.694A pdb=" N SER A2154 " --> pdb=" O GLU A2150 " (cutoff:3.500A) removed outlier: 3.525A pdb=" N LEU A2155 " --> pdb=" O ASP A2151 " (cutoff:3.500A) removed outlier: 3.620A pdb=" N GLN A2161 " --> pdb=" O GLU A2157 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N LEU A2166 " --> pdb=" O ILE A2162 " (cutoff:3.500A) removed outlier: 4.607A pdb=" N ILE A2167 " --> pdb=" O ARG A2163 " (cutoff:3.500A) removed outlier: 4.651A pdb=" N VAL A2168 " --> pdb=" O SER A2164 " (cutoff:3.500A) removed outlier: 5.469A pdb=" N GLN A2169 " --> pdb=" O LEU A2165 " (cutoff:3.500A) Processing helix chain 'A' and resid 2171 through 2188 removed outlier: 3.695A pdb=" N ASN A2176 " --> pdb=" O PRO A2172 " (cutoff:3.500A) removed outlier: 3.596A pdb=" N LEU A2177 " --> pdb=" O GLN A2173 " (cutoff:3.500A) removed outlier: 3.606A pdb=" N MET A2186 " --> pdb=" O ILE A2182 " (cutoff:3.500A) removed outlier: 4.338A pdb=" N ASN A2187 " --> pdb=" O GLY A2183 " (cutoff:3.500A) removed outlier: 4.816A pdb=" N ASN A2188 " --> pdb=" O ASN A2184 " (cutoff:3.500A) Processing helix chain 'A' and resid 2189 through 2195 removed outlier: 4.478A pdb=" N GLN A2193 " --> pdb=" O LYS A2189 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N HIS A2194 " --> pdb=" O VAL A2190 " (cutoff:3.500A) Proline residue: A2195 - end of helix No H-bonds generated for 'chain 'A' and resid 2189 through 2195' Processing helix chain 'A' and resid 2196 through 2202 Processing helix chain 'A' and resid 2203 through 2216 removed outlier: 3.799A pdb=" N ASN A2213 " --> pdb=" O GLU A2209 " (cutoff:3.500A) removed outlier: 3.962A pdb=" N VAL A2214 " --> pdb=" O VAL A2210 " (cutoff:3.500A) removed outlier: 3.687A pdb=" N LEU A2215 " --> pdb=" O MET A2211 " (cutoff:3.500A) Processing helix chain 'A' and resid 2225 through 2244 removed outlier: 4.722A pdb=" N VAL A2229 " --> pdb=" O PHE A2225 " (cutoff:3.500A) removed outlier: 6.869A pdb=" N THR A2230 " --> pdb=" O PRO A2226 " (cutoff:3.500A) removed outlier: 4.217A pdb=" N SER A2231 " --> pdb=" O LYS A2227 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N ILE A2242 " --> pdb=" O TYR A2238 " (cutoff:3.500A) removed outlier: 4.584A pdb=" N SER A2243 " --> pdb=" O PHE A2239 " (cutoff:3.500A) removed outlier: 5.179A pdb=" N ARG A2244 " --> pdb=" O CYS A2240 " (cutoff:3.500A) Processing helix chain 'A' and resid 2245 through 2255 removed outlier: 3.751A pdb=" N SER A2249 " --> pdb=" O GLN A2245 " (cutoff:3.500A) removed outlier: 3.793A pdb=" N ASP A2252 " --> pdb=" O ARG A2248 " (cutoff:3.500A) removed outlier: 4.814A pdb=" N HIS A2253 " --> pdb=" O SER A2249 " (cutoff:3.500A) removed outlier: 4.431A pdb=" N LEU A2254 " --> pdb=" O MET A2250 " (cutoff:3.500A) removed outlier: 5.159A pdb=" N SER A2255 " --> pdb=" O PHE A2251 " (cutoff:3.500A) Processing helix chain 'A' and resid 2256 through 2265 removed outlier: 3.615A pdb=" N ASN A2260 " --> pdb=" O TYR A2256 " (cutoff:3.500A) removed outlier: 4.411A pdb=" N GLY A2262 " --> pdb=" O LEU A2258 " (cutoff:3.500A) removed outlier: 4.911A pdb=" N ILE A2263 " --> pdb=" O GLU A2259 " (cutoff:3.500A) removed outlier: 3.709A pdb=" N GLY A2264 " --> pdb=" O ASN A2260 " (cutoff:3.500A) removed outlier: 4.270A pdb=" N LEU A2265 " --> pdb=" O SER A2261 " (cutoff:3.500A) Processing helix chain 'A' and resid 2271 through 2282 removed outlier: 3.748A pdb=" N VAL A2275 " --> pdb=" O THR A2271 " (cutoff:3.500A) removed outlier: 3.855A pdb=" N ALA A2276 " --> pdb=" O PRO A2272 " (cutoff:3.500A) removed outlier: 4.020A pdb=" N VAL A2280 " --> pdb=" O ALA A2276 " (cutoff:3.500A) removed outlier: 4.097A pdb=" N ILE A2281 " --> pdb=" O ALA A2277 " (cutoff:3.500A) removed outlier: 5.349A pdb=" N ASP A2282 " --> pdb=" O ALA A2278 " (cutoff:3.500A) Processing helix chain 'A' and resid 2286 through 2291 removed outlier: 3.595A pdb=" N LEU A2290 " --> pdb=" O LEU A2286 " (cutoff:3.500A) removed outlier: 4.531A pdb=" N GLN A2291 " --> pdb=" O ALA A2287 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 2286 through 2291' Processing helix chain 'A' and resid 2294 through 2309 removed outlier: 3.619A pdb=" N VAL A2299 " --> pdb=" O LEU A2295 " (cutoff:3.500A) removed outlier: 4.133A pdb=" N SER A2300 " --> pdb=" O GLU A2296 " (cutoff:3.500A) removed outlier: 3.611A pdb=" N TYR A2301 " --> pdb=" O LYS A2297 " (cutoff:3.500A) removed outlier: 3.765A pdb=" N LEU A2302 " --> pdb=" O VAL A2298 " (cutoff:3.500A) removed outlier: 3.666A pdb=" N LEU A2307 " --> pdb=" O ALA A2303 " (cutoff:3.500A) removed outlier: 5.091A pdb=" N SER A2309 " --> pdb=" O CYS A2305 " (cutoff:3.500A) Processing helix chain 'A' and resid 2310 through 2315 removed outlier: 3.685A pdb=" N LEU A2314 " --> pdb=" O CYS A2310 " (cutoff:3.500A) Processing helix chain 'A' and resid 2324 through 2340 removed outlier: 3.567A pdb=" N ARG A2330 " --> pdb=" O CYS A2326 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N TYR A2331 " --> pdb=" O GLY A2327 " (cutoff:3.500A) removed outlier: 4.507A pdb=" N LEU A2332 " --> pdb=" O GLY A2328 " (cutoff:3.500A) removed outlier: 5.142A pdb=" N ASP A2333 " --> pdb=" O GLU A2329 " (cutoff:3.500A) removed outlier: 5.113A pdb=" N PHE A2334 " --> pdb=" O ARG A2330 " (cutoff:3.500A) removed outlier: 6.561A pdb=" N LEU A2335 " --> pdb=" O TYR A2331 " (cutoff:3.500A) removed outlier: 3.538A pdb=" N PHE A2337 " --> pdb=" O ASP A2333 " (cutoff:3.500A) Processing helix chain 'A' and resid 2346 through 2361 removed outlier: 3.891A pdb=" N VAL A2352 " --> pdb=" O GLU A2348 " (cutoff:3.500A) removed outlier: 3.789A pdb=" N ARG A2359 " --> pdb=" O ARG A2355 " (cutoff:3.500A) removed outlier: 4.537A 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 Proline residue: A2390 - end of helix Processing helix chain 'A' and resid 2417 through 2438 Proline residue: A2438 - end of helix Processing helix chain 'A' and resid 2440 through 2447 removed outlier: 3.634A pdb=" N GLY A2446 " --> pdb=" O LEU A2442 " (cutoff:3.500A) Processing helix chain 'A' and resid 2448 through 2462 removed outlier: 4.148A pdb=" N ARG A2452 " --> pdb=" O GLY A2448 " (cutoff:3.500A) removed outlier: 3.778A pdb=" N ILE A2453 " --> pdb=" O GLU A2449 " (cutoff:3.500A) Proline residue: A2462 - end of helix Processing helix chain 'A' and resid 2464 through 2472 removed outlier: 3.931A pdb=" N GLY A2468 " --> pdb=" O ASP A2464 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N ILE A2469 " --> pdb=" O ASP A2465 " (cutoff:3.500A) removed outlier: 3.551A pdb=" N SER A2471 " --> pdb=" O VAL A2467 " (cutoff:3.500A) removed outlier: 3.632A pdb=" N LEU A2472 " --> pdb=" O GLY A2468 " (cutoff:3.500A) Processing helix chain 'A' and resid 2751 through 2774 removed outlier: 4.422A pdb=" N ILE A2755 " --> pdb=" O LEU A2751 " (cutoff:3.500A) removed outlier: 3.657A pdb=" N PHE A2758 " --> pdb=" O PHE A2754 " (cutoff:3.500A) removed outlier: 4.083A pdb=" N ALA A2759 " --> pdb=" O ILE A2755 " (cutoff:3.500A) removed outlier: 3.769A pdb=" N THR A2762 " --> pdb=" O PHE A2758 " (cutoff:3.500A) removed outlier: 4.410A pdb=" N HIS A2763 " --> pdb=" O ALA A2759 " (cutoff:3.500A) removed outlier: 5.031A pdb=" N GLU A2764 " --> pdb=" O GLU A2760 " (cutoff:3.500A) removed outlier: 4.827A pdb=" N LYS A2765 " --> pdb=" O TYR A2761 " (cutoff:3.500A) removed outlier: 4.295A pdb=" N TRP A2766 " --> pdb=" O THR A2762 " (cutoff:3.500A) removed outlier: 4.439A pdb=" N ALA A2767 " --> pdb=" O HIS A2763 " (cutoff:3.500A) removed outlier: 4.012A pdb=" N PHE A2768 " --> pdb=" O GLU A2764 " (cutoff:3.500A) removed outlier: 4.701A pdb=" N ASP A2769 " --> pdb=" O LYS A2765 " (cutoff:3.500A) removed outlier: 5.465A pdb=" N LYS A2770 " --> pdb=" O TRP A2766 " (cutoff:3.500A) removed outlier: 5.472A pdb=" N ILE A2771 " --> pdb=" O ALA A2767 " (cutoff:3.500A) removed outlier: 3.893A pdb=" N GLN A2772 " --> pdb=" O PHE A2768 " (cutoff:3.500A) removed outlier: 3.934A pdb=" N ASN A2773 " --> pdb=" O ASP A2769 " (cutoff:3.500A) Processing helix chain 'A' and resid 2798 through 2804 removed outlier: 4.903A pdb=" N LYS A2802 " --> pdb=" O SER A2798 " (cutoff:3.500A) Processing helix chain 'A' and resid 2872 through 2896 removed outlier: 5.419A pdb=" N GLU A2876 " --> pdb=" O GLN A2872 " (cutoff:3.500A) removed outlier: 4.109A pdb=" N GLN A2877 " --> pdb=" O ALA A2873 " (cutoff:3.500A) removed outlier: 4.376A pdb=" N ALA A2879 " --> pdb=" O ALA A2875 " (cutoff:3.500A) removed outlier: 4.785A pdb=" N ASN A2881 " --> pdb=" O GLN A2877 " (cutoff:3.500A) removed outlier: 5.346A pdb=" N TYR A2882 " --> pdb=" O LEU A2878 " (cutoff:3.500A) removed outlier: 3.540A pdb=" N HIS A2883 " --> pdb=" O ALA A2879 " (cutoff:3.500A) removed outlier: 3.998A pdb=" N LYS A2890 " --> pdb=" O TRP A2886 " (cutoff:3.500A) removed outlier: 5.215A pdb=" N LYS A2891 " --> pdb=" O GLY A2887 " (cutoff:3.500A) removed outlier: 4.819A pdb=" N GLN A2892 " --> pdb=" O ARG A2888 " (cutoff:3.500A) removed outlier: 5.489A pdb=" N GLU A2893 " --> pdb=" O LYS A2889 " (cutoff:3.500A) removed outlier: 5.832A pdb=" N LEU A2894 " --> pdb=" O LYS A2890 " (cutoff:3.500A) removed outlier: 5.265A pdb=" N ALA A2896 " --> pdb=" O GLN A2892 " (cutoff:3.500A) Processing helix chain 'A' and resid 2919 through 2930 removed outlier: 4.243A pdb=" N ALA A2923 " --> pdb=" O ASP A2919 " (cutoff:3.500A) removed outlier: 3.984A pdb=" N GLU A2925 " --> pdb=" O GLU A2921 " (cutoff:3.500A) removed outlier: 4.506A pdb=" N LYS A2928 " --> pdb=" O GLN A2924 " (cutoff:3.500A) removed outlier: 4.089A pdb=" N PHE A2929 " --> pdb=" O GLU A2925 " (cutoff:3.500A) removed outlier: 4.116A pdb=" N LEU A2930 " --> pdb=" O LEU A2926 " (cutoff:3.500A) Processing helix chain 'A' and resid 3645 through 3657 removed outlier: 3.669A pdb=" N LEU A3654 " --> pdb=" O CYS A3650 " (cutoff:3.500A) removed outlier: 4.177A pdb=" N GLU A3655 " --> pdb=" O ASN A3651 " (cutoff:3.500A) removed outlier: 4.571A pdb=" N SER A3656 " --> pdb=" O MET A3652 " (cutoff:3.500A) removed outlier: 5.353A pdb=" N TYR A3657 " --> pdb=" O PHE A3653 " (cutoff:3.500A) Processing helix chain 'A' and resid 3668 through 3683 removed outlier: 5.370A pdb=" N ALA A3680 " --> pdb=" O ASP A3676 " (cutoff:3.500A) removed outlier: 6.868A pdb=" N GLY A3681 " --> pdb=" O LEU A3677 " (cutoff:3.500A) removed outlier: 4.234A pdb=" N GLU A3682 " --> pdb=" O SER A3678 " (cutoff:3.500A) Processing helix chain 'A' and resid 3696 through 3712 removed outlier: 5.685A pdb=" N GLU A3712 " --> pdb=" O THR A3708 " (cutoff:3.500A) Processing helix chain 'A' and resid 3719 through 3736 removed outlier: 3.523A pdb=" N MET A3723 " --> pdb=" O ASP A3719 " (cutoff:3.500A) removed outlier: 3.611A pdb=" N ASP A3727 " --> pdb=" O MET A3723 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N SER A3732 " --> pdb=" O ILE A3728 " (cutoff:3.500A) removed outlier: 3.805A pdb=" N CYS A3733 " --> pdb=" O MET A3729 " (cutoff:3.500A) removed outlier: 4.266A pdb=" N GLU A3736 " --> pdb=" O SER A3732 " (cutoff:3.500A) Processing helix chain 'A' and resid 3752 through 3761 Processing helix chain 'A' and resid 3764 through 3771 removed outlier: 4.824A pdb=" N SER A3768 " --> pdb=" O LEU A3764 " (cutoff:3.500A) removed outlier: 4.513A pdb=" N HIS A3771 " --> pdb=" O GLN A3767 " (cutoff:3.500A) Processing helix chain 'A' and resid 3772 through 3787 removed outlier: 3.622A pdb=" N ALA A3776 " --> pdb=" O THR A3772 " (cutoff:3.500A) removed outlier: 4.970A pdb=" N GLU A3777 " --> pdb=" O ARG A3773 " (cutoff:3.500A) removed outlier: 3.617A pdb=" N MET A3778 " --> pdb=" O GLY A3774 " (cutoff:3.500A) removed outlier: 3.502A pdb=" N LEU A3780 " --> pdb=" O ALA A3776 " (cutoff:3.500A) removed outlier: 3.905A pdb=" N CYS A3786 " --> pdb=" O MET A3782 " (cutoff:3.500A) removed outlier: 5.360A pdb=" N LYS A3787 " --> pdb=" O ILE A3783 " (cutoff:3.500A) Processing helix chain 'A' and resid 3791 through 3806 removed outlier: 3.946A pdb=" N LEU A3805 " --> pdb=" O GLY A3801 " (cutoff:3.500A) Processing helix chain 'A' and resid 3809 through 3824 removed outlier: 3.592A pdb=" N TYR A3819 " --> pdb=" O LYS A3815 " (cutoff:3.500A) Processing helix chain 'A' and resid 3826 through 3839 removed outlier: 7.081A pdb=" N GLN A3830 " --> pdb=" O VAL A3826 " (cutoff:3.500A) removed outlier: 3.516A pdb=" N THR A3838 " --> pdb=" O ALA A3834 " (cutoff:3.500A) removed outlier: 4.335A pdb=" N CYS A3839 " --> pdb=" O LEU A3835 " (cutoff:3.500A) Processing helix chain 'A' and resid 3843 through 3858 removed outlier: 3.661A pdb=" N GLY A3855 " --> pdb=" O ASN A3851 " (cutoff:3.500A) removed outlier: 4.413A pdb=" N LEU A3856 " --> pdb=" O LYS A3852 " (cutoff:3.500A) removed outlier: 4.534A pdb=" N GLY A3857 " --> pdb=" O ALA A3853 " (cutoff:3.500A) removed outlier: 5.586A pdb=" N MET A3858 " --> pdb=" O GLU A3854 " (cutoff:3.500A) Processing helix chain 'A' and resid 3877 through 3893 removed outlier: 3.844A pdb=" N ASP A3883 " --> pdb=" O GLU A3879 " (cutoff:3.500A) removed outlier: 4.323A pdb=" N CYS A3892 " --> pdb=" O LEU A3888 " (cutoff:3.500A) removed outlier: 3.586A pdb=" N GLU A3893 " --> pdb=" O GLN A3889 " (cutoff:3.500A) Processing helix chain 'A' and resid 3896 through 3905 removed outlier: 6.436A pdb=" N GLN A3900 " --> pdb=" O ASN A3896 " (cutoff:3.500A) removed outlier: 4.135A pdb=" N ASN A3901 " --> pdb=" O ASN A3897 " (cutoff:3.500A) removed outlier: 3.652A pdb=" N ARG A3904 " --> pdb=" O GLN A3900 " (cutoff:3.500A) removed outlier: 3.519A pdb=" N THR A3905 " --> pdb=" O ASN A3901 " (cutoff:3.500A) Processing helix chain 'A' and resid 3914 through 3939 removed outlier: 3.598A pdb=" N CYS A3918 " --> pdb=" O ASN A3914 " (cutoff:3.500A) removed outlier: 3.538A pdb=" N TRP A3935 " --> pdb=" O SER A3931 " (cutoff:3.500A) removed outlier: 3.721A pdb=" N TYR A3936 " --> pdb=" O ASP A3932 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N TYR A3937 " --> pdb=" O PHE A3933 " (cutoff:3.500A) removed outlier: 4.311A pdb=" N GLY A3939 " --> pdb=" O TRP A3935 " (cutoff:3.500A) Processing helix chain 'A' and resid 3944 through 3970 removed outlier: 3.695A pdb=" N LYS A3953 " --> pdb=" O ARG A3949 " (cutoff:3.500A) removed outlier: 4.146A pdb=" N ALA A3954 " --> pdb=" O ASN A3950 " (cutoff:3.500A) removed outlier: 4.032A pdb=" N MET A3955 " --> pdb=" O PHE A3951 " (cutoff:3.500A) removed outlier: 3.939A pdb=" N SER A3956 " --> pdb=" O SER A3952 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N VAL A3957 " --> pdb=" O LYS A3953 " (cutoff:3.500A) removed outlier: 3.969A pdb=" N GLU A3967 " --> pdb=" O ASN A3963 " (cutoff:3.500A) removed outlier: 3.899A pdb=" N TYR A3968 " --> pdb=" O SER A3964 " (cutoff:3.500A) removed outlier: 3.886A pdb=" N ILE A3969 " --> pdb=" O LEU A3965 " (cutoff:3.500A) Processing helix chain 'A' and resid 3973 through 3984 removed outlier: 5.110A pdb=" N ARG A3984 " --> pdb=" O LEU A3980 " (cutoff:3.500A) Processing helix chain 'A' and resid 3985 through 4006 removed outlier: 3.518A pdb=" N HIS A3998 " --> pdb=" O HIS A3994 " (cutoff:3.500A) removed outlier: 3.601A pdb=" N MET A4001 " --> pdb=" O ALA A3997 " (cutoff:3.500A) removed outlier: 4.458A pdb=" N GLN A4005 " --> pdb=" O MET A4001 " (cutoff:3.500A) removed outlier: 4.755A pdb=" N ASP A4006 " --> pdb=" O LYS A4002 " (cutoff:3.500A) Processing helix chain 'A' and resid 4009 through 4032 removed outlier: 3.578A pdb=" N LEU A4013 " --> pdb=" O GLN A4009 " (cutoff:3.500A) removed outlier: 3.738A pdb=" N LEU A4030 " --> pdb=" O MET A4026 " (cutoff:3.500A) removed outlier: 4.427A pdb=" N LEU A4031 " --> pdb=" O LEU A4027 " (cutoff:3.500A) removed outlier: 4.426A pdb=" N GLU A4032 " --> pdb=" O LEU A4028 " (cutoff:3.500A) Processing helix chain 'A' and resid 4038 through 4052 removed outlier: 6.328A pdb=" N ARG A4042 " --> pdb=" O GLY A4038 " (cutoff:3.500A) removed outlier: 4.269A pdb=" N GLN A4043 " --> pdb=" O MET A4039 " (cutoff:3.500A) Processing helix chain 'A' and resid 4053 through 4072 removed outlier: 3.852A pdb=" N MET A4057 " --> pdb=" O SER A4053 " (cutoff:3.500A) removed outlier: 3.548A pdb=" N PHE A4062 " --> pdb=" O ILE A4058 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N PHE A4065 " --> pdb=" O PHE A4061 " (cutoff:3.500A) removed outlier: 3.667A pdb=" N LYS A4069 " --> pdb=" O PHE A4065 " (cutoff:3.500A) removed outlier: 4.195A pdb=" N ASP A4070 " --> pdb=" O LEU A4066 " (cutoff:3.500A) removed outlier: 3.650A pdb=" N ILE A4071 " --> pdb=" O LYS A4067 " (cutoff:3.500A) Processing helix chain 'A' and resid 4074 through 4081 removed outlier: 5.022A pdb=" N TYR A4080 " --> pdb=" O ALA A4076 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N VAL A4081 " --> pdb=" O PHE A4077 " (cutoff:3.500A) Processing helix chain 'A' and resid 4090 through 4101 removed outlier: 3.734A pdb=" N GLN A4094 " --> pdb=" O LYS A4090 " (cutoff:3.500A) removed outlier: 4.265A pdb=" N LYS A4095 " --> pdb=" O LYS A4091 " (cutoff:3.500A) removed outlier: 3.690A pdb=" N GLN A4100 " --> pdb=" O ALA A4096 " (cutoff:3.500A) removed outlier: 4.666A pdb=" N LYS A4101 " --> pdb=" O MET A4097 " (cutoff:3.500A) Processing helix chain 'A' and resid 4104 through 4116 removed outlier: 3.790A pdb=" N ILE A4108 " --> pdb=" O THR A4104 " (cutoff:3.500A) removed outlier: 3.969A pdb=" N GLN A4109 " --> pdb=" O GLY A4105 " (cutoff:3.500A) removed outlier: 4.857A pdb=" N GLU A4116 " --> pdb=" O LEU A4112 " (cutoff:3.500A) Processing helix chain 'A' and resid 4124 through 4137 removed outlier: 5.353A pdb=" N PHE A4132 " --> pdb=" O PHE A4128 " (cutoff:3.500A) removed outlier: 4.868A pdb=" N GLN A4133 " --> pdb=" O ALA A4129 " (cutoff:3.500A) removed outlier: 4.379A pdb=" N GLU A4134 " --> pdb=" O ASN A4130 " (cutoff:3.500A) Proline residue: A4135 - end of helix Processing helix chain 'A' and resid 4138 through 4154 Processing helix chain 'A' and resid 4157 through 4168 removed outlier: 4.224A pdb=" N PHE A4163 " --> pdb=" O ARG A4159 " (cutoff:3.500A) removed outlier: 4.004A pdb=" N LEU A4164 " --> pdb=" O LEU A4160 " (cutoff:3.500A) removed outlier: 4.244A pdb=" N GLU A4165 " --> pdb=" O ARG A4161 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N LEU A4166 " --> pdb=" O ASN A4162 " (cutoff:3.500A) Processing helix chain 'A' and resid 4169 through 4175 Processing helix chain 'A' and resid 4198 through 4207 removed outlier: 4.116A pdb=" N ARG A4202 " --> pdb=" O SER A4198 " (cutoff:3.500A) removed outlier: 3.596A pdb=" N GLN A4204 " --> pdb=" O THR A4200 " (cutoff:3.500A) removed outlier: 4.689A pdb=" N MET A4207 " --> pdb=" O ALA A4203 " (cutoff:3.500A) Processing helix chain 'A' and resid 4208 through 4224 removed outlier: 3.554A pdb=" N ASN A4223 " --> pdb=" O PHE A4219 " (cutoff:3.500A) Processing helix chain 'A' and resid 4229 through 4252 removed outlier: 4.163A pdb=" N SER A4252 " --> pdb=" O ALA A4248 " (cutoff:3.500A) Processing helix chain 'A' and resid 4543 through 4559 removed outlier: 4.603A pdb=" N GLN A4547 " --> pdb=" O GLU A4543 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N ARG A4557 " --> pdb=" O ASN A4553 " (cutoff:3.500A) removed outlier: 3.972A pdb=" N ASN A4558 " --> pdb=" O TYR A4554 " (cutoff:3.500A) removed outlier: 3.707A pdb=" N PHE A4559 " --> pdb=" O LEU A4555 " (cutoff:3.500A) Processing helix chain 'A' and resid 4560 through 4579 removed outlier: 4.202A pdb=" N PHE A4579 " --> pdb=" O PHE A4575 " (cutoff:3.500A) Processing helix chain 'A' and resid 4643 through 4684 removed outlier: 3.576A pdb=" N THR A4651 " --> pdb=" O SER A4647 " (cutoff:3.500A) removed outlier: 3.659A pdb=" N ILE A4658 " --> pdb=" O ALA A4654 " (cutoff:3.500A) removed outlier: 3.562A pdb=" N ILE A4659 " --> pdb=" O PHE A4655 " (cutoff:3.500A) removed outlier: 3.530A pdb=" N CYS A4663 " --> pdb=" O ILE A4659 " (cutoff:3.500A) removed outlier: 3.509A pdb=" N LEU A4664 " --> pdb=" O GLY A4660 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N VAL A4666 " --> pdb=" O ASN A4662 " (cutoff:3.500A) Proline residue: A4667 - end of helix removed outlier: 3.595A pdb=" N ASP A4684 " --> pdb=" O LYS A4680 " (cutoff:3.500A) Processing helix chain 'A' and resid 4696 through 4707 removed outlier: 3.569A pdb=" N ARG A4703 " --> pdb=" O GLY A4699 " (cutoff:3.500A) removed outlier: 4.491A pdb=" N LEU A4704 " --> pdb=" O GLN A4700 " (cutoff:3.500A) removed outlier: 4.642A pdb=" N VAL A4705 " --> pdb=" O TRP A4701 " (cutoff:3.500A) removed outlier: 3.954A pdb=" N LEU A4706 " --> pdb=" O ASP A4702 " (cutoff:3.500A) removed outlier: 4.991A pdb=" N ASN A4707 " --> pdb=" O ARG A4703 " (cutoff:3.500A) Processing helix chain 'A' and resid 4719 through 4729 removed outlier: 3.502A pdb=" N LEU A4725 " --> pdb=" O LYS A4721 " (cutoff:3.500A) Processing helix chain 'A' and resid 4733 through 4742 removed outlier: 4.424A pdb=" N GLY A4742 " --> pdb=" O ALA A4738 " (cutoff:3.500A) Processing helix chain 'A' and resid 4749 through 4754 Processing helix chain 'A' and resid 4766 through 4771 removed outlier: 4.261A pdb=" N SER A4770 " --> pdb=" O THR A4766 " (cutoff:3.500A) removed outlier: 3.522A pdb=" N ILE A4771 " --> pdb=" O TRP A4767 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 4766 through 4771' Processing helix chain 'A' and resid 4772 through 4786 removed outlier: 3.984A pdb=" N ASP A4786 " --> pdb=" O VAL A4782 " (cutoff:3.500A) Processing helix chain 'A' and resid 4787 through 4803 removed outlier: 4.276A pdb=" N HIS A4803 " --> pdb=" O SER A4799 " (cutoff:3.500A) Processing helix chain 'A' and resid 4807 through 4820 removed outlier: 4.669A pdb=" N ALA A4811 " --> pdb=" O PHE A4807 " (cutoff:3.500A) removed outlier: 4.623A pdb=" N HIS A4812 " --> pdb=" O PHE A4808 " (cutoff:3.500A) removed outlier: 4.593A pdb=" N LEU A4813 " --> pdb=" O PHE A4809 " (cutoff:3.500A) removed outlier: 4.621A pdb=" N LEU A4814 " --> pdb=" O ALA A4810 " (cutoff:3.500A) removed outlier: 3.936A pdb=" N ASP A4815 " --> pdb=" O ALA A4811 " (cutoff:3.500A) removed outlier: 3.936A pdb=" N MET A4818 " --> pdb=" O LEU A4814 " (cutoff:3.500A) removed outlier: 4.696A pdb=" N GLY A4819 " --> pdb=" O ASP A4815 " (cutoff:3.500A) removed outlier: 4.791A pdb=" N VAL A4820 " --> pdb=" O ILE A4816 " (cutoff:3.500A) Processing helix chain 'A' and resid 4821 through 4832 removed outlier: 3.816A pdb=" N THR A4825 " --> pdb=" O LYS A4821 " (cutoff:3.500A) removed outlier: 3.586A pdb=" N ILE A4826 " --> pdb=" O THR A4822 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N SER A4829 " --> pdb=" O THR A4825 " (cutoff:3.500A) removed outlier: 4.256A pdb=" N VAL A4830 " --> pdb=" O ILE A4826 " (cutoff:3.500A) Processing helix chain 'A' and resid 4833 through 4858 Processing helix chain 'A' and resid 4878 through 4893 removed outlier: 3.506A pdb=" N MET A4887 " --> pdb=" O TYR A4883 " (cutoff:3.500A) removed outlier: 4.308A pdb=" N VAL A4891 " --> pdb=" O MET A4887 " (cutoff:3.500A) removed outlier: 4.870A pdb=" N ARG A4892 " --> pdb=" O TYR A4888 " (cutoff:3.500A) Processing helix chain 'A' and resid 4897 through 4902 removed outlier: 4.044A pdb=" N ILE A4901 " --> pdb=" O ILE A4897 " (cutoff:3.500A) removed outlier: 5.627A pdb=" N GLU A4902 " --> pdb=" O GLY A4898 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 4897 through 4902' Processing helix chain 'A' and resid 4909 through 4924 removed outlier: 6.251A pdb=" N VAL A4914 " --> pdb=" O GLU A4910 " (cutoff:3.500A) removed outlier: 4.423A pdb=" N VAL A4915 " --> pdb=" O LEU A4911 " (cutoff:3.500A) Processing helix chain 'A' and resid 4928 through 4957 removed outlier: 3.652A pdb=" N ILE A4936 " --> pdb=" O ILE A4932 " (cutoff:3.500A) removed outlier: 3.770A pdb=" N PHE A4940 " --> pdb=" O ILE A4936 " (cutoff:3.500A) removed outlier: 3.816A pdb=" N GLY A4941 " --> pdb=" O ILE A4937 " (cutoff:3.500A) removed outlier: 3.714A pdb=" N VAL A4950 " --> pdb=" O GLN A4946 " (cutoff:3.500A) removed outlier: 3.623A pdb=" N LYS A4951 " --> pdb=" O GLN A4947 " (cutoff:3.500A) removed outlier: 3.724A pdb=" N GLU A4955 " --> pdb=" O LYS A4951 " (cutoff:3.500A) Processing helix chain 'A' and resid 4964 through 4970 removed outlier: 3.850A pdb=" N PHE A4968 " --> pdb=" O GLY A4964 " (cutoff:3.500A) removed outlier: 3.860A 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 4998 removed outlier: 6.238A pdb=" N TYR A4988 " --> pdb=" O ASN A4984 " (cutoff:3.500A) removed outlier: 4.745A pdb=" N MET A4989 " --> pdb=" O LEU A4985 " (cutoff:3.500A) Processing helix chain 'A' and resid 5004 through 5017 removed outlier: 3.663A pdb=" N GLU A5016 " --> pdb=" O LYS A5012 " (cutoff:3.500A) Processing helix chain 'A' and resid 5027 through 5033 removed outlier: 6.432A pdb=" N GLN A5031 " --> pdb=" O CYS A5027 " (cutoff:3.500A) removed outlier: 4.046A pdb=" N TYR A5032 " --> pdb=" O PHE A5028 " (cutoff:3.500A) removed outlier: 3.507A pdb=" N GLU A5033 " --> pdb=" O ARG A5029 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 5027 through 5033' Processing helix chain 'A' and resid 3865 through 3870 removed outlier: 5.590A pdb=" N ARG A3868 " --> pdb=" O VAL A3865 " (cutoff:3.500A) removed outlier: 4.646A pdb=" N ASN A3870 " --> pdb=" O ASN A3867 " (cutoff:3.500A) Processing helix chain 'A' and resid 4685 through 4690 removed outlier: 3.780A pdb=" N GLU A4690 " --> pdb=" O GLY A4685 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 4685 through 4690' Processing helix chain 'C' and resid 61 through 66 removed outlier: 4.440A pdb=" N CYS C 65 " --> pdb=" O ASP C 61 " (cutoff:3.500A) Processing helix chain 'C' and resid 74 through 84 removed outlier: 3.622A pdb=" N GLU C 80 " --> pdb=" O ARG C 76 " (cutoff:3.500A) Processing helix chain 'C' and resid 251 through 256 removed outlier: 4.822A pdb=" N HIS C 255 " --> pdb=" O ALA C 251 " (cutoff:3.500A) removed outlier: 5.715A 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: 6.181A pdb=" N THR C 312 " --> pdb=" O HIS C 308 " (cutoff:3.500A) removed outlier: 4.611A pdb=" N SER C 313 " --> pdb=" O THR C 309 " (cutoff:3.500A) No H-bonds generated for 'chain 'C' and resid 308 through 313' Processing helix chain 'C' and resid 364 through 371 removed outlier: 3.685A pdb=" N LEU C 369 " --> pdb=" O LYS C 365 " (cutoff:3.500A) removed outlier: 3.823A pdb=" N GLY C 370 " --> pdb=" O ALA C 366 " (cutoff:3.500A) removed outlier: 5.733A pdb=" N VAL C 371 " --> pdb=" O LEU C 367 " (cutoff:3.500A) Processing helix chain 'C' and resid 396 through 423 removed outlier: 3.781A pdb=" N ASP C 419 " --> pdb=" O ILE C 415 " (cutoff:3.500A) removed outlier: 4.171A pdb=" N SER C 420 " --> pdb=" O LYS C 416 " (cutoff:3.500A) removed outlier: 5.119A pdb=" N PHE C 421 " --> pdb=" O GLY C 417 " (cutoff:3.500A) removed outlier: 4.541A pdb=" N SER C 422 " --> pdb=" O LEU C 418 " (cutoff:3.500A) removed outlier: 5.104A pdb=" N GLY C 423 " --> pdb=" O ASP C 419 " (cutoff:3.500A) Processing helix chain 'C' and resid 437 through 453 removed outlier: 4.096A pdb=" N VAL C 441 " --> pdb=" O PRO C 437 " (cutoff:3.500A) removed outlier: 3.954A pdb=" N ILE C 442 " --> pdb=" O ILE C 438 " (cutoff:3.500A) removed outlier: 3.654A pdb=" N LEU C 443 " --> pdb=" O GLU C 439 " (cutoff:3.500A) removed outlier: 3.519A pdb=" N PHE C 452 " --> pdb=" O LEU C 448 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N GLU C 453 " --> pdb=" O ILE C 449 " (cutoff:3.500A) Processing helix chain 'C' and resid 460 through 482 removed outlier: 4.169A pdb=" N SER C 466 " --> pdb=" O GLU C 462 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N GLN C 479 " --> pdb=" O GLN C 475 " (cutoff:3.500A) removed outlier: 3.899A pdb=" N GLU C 480 " --> pdb=" O SER C 476 " (cutoff:3.500A) removed outlier: 4.331A pdb=" N GLU C 481 " --> pdb=" O LEU C 477 " (cutoff:3.500A) removed outlier: 4.449A pdb=" N GLY C 482 " --> pdb=" O PHE C 478 " (cutoff:3.500A) Processing helix chain 'C' and resid 483 through 496 removed outlier: 4.510A pdb=" N VAL C 487 " --> pdb=" O MET C 483 " (cutoff:3.500A) removed outlier: 3.946A pdb=" N CYS C 490 " --> pdb=" O LEU C 486 " (cutoff:3.500A) removed outlier: 3.998A pdb=" N VAL C 496 " --> pdb=" O ASP C 492 " (cutoff:3.500A) Processing helix chain 'C' and resid 512 through 531 removed outlier: 4.285A pdb=" N LYS C 516 " --> pdb=" O ALA C 512 " (cutoff:3.500A) removed outlier: 4.691A pdb=" N GLU C 517 " --> pdb=" O GLU C 513 " (cutoff:3.500A) removed outlier: 3.518A pdb=" N TYR C 523 " --> pdb=" O VAL C 519 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N GLU C 524 " --> pdb=" O ASN C 520 " (cutoff:3.500A) Processing helix chain 'C' and resid 533 through 541 removed outlier: 3.617A pdb=" N CYS C 537 " --> pdb=" O ASN C 533 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N ALA C 538 " --> pdb=" O ARG C 534 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N LEU C 539 " --> pdb=" O ALA C 535 " (cutoff:3.500A) removed outlier: 4.886A pdb=" N PHE C 540 " --> pdb=" O ASN C 536 " (cutoff:3.500A) removed outlier: 5.406A pdb=" N SER C 541 " --> pdb=" O CYS C 537 " (cutoff:3.500A) No H-bonds generated for 'chain 'C' and resid 533 through 541' Processing helix chain 'C' and resid 543 through 551 removed outlier: 3.973A pdb=" N LYS C 550 " --> pdb=" O TRP C 546 " (cutoff:3.500A) removed outlier: 4.903A pdb=" N LEU C 551 " --> pdb=" O VAL C 547 " (cutoff:3.500A) Processing helix chain 'C' and resid 556 through 571 removed outlier: 3.694A pdb=" N ILE C 560 " --> pdb=" O ALA C 556 " (cutoff:3.500A) removed outlier: 3.704A pdb=" N LEU C 561 " --> pdb=" O SER C 557 " (cutoff:3.500A) removed outlier: 3.636A pdb=" N VAL C 567 " --> pdb=" O VAL C 563 " (cutoff:3.500A) removed outlier: 3.664A pdb=" N LEU C 568 " --> pdb=" O LEU C 564 " (cutoff:3.500A) removed outlier: 4.011A pdb=" N ILE C 569 " --> pdb=" O TYR C 565 " (cutoff:3.500A) removed outlier: 3.808A pdb=" N GLU C 570 " --> pdb=" O CYS C 566 " (cutoff:3.500A) Processing helix chain 'C' and resid 572 through 578 removed outlier: 4.352A pdb=" N ASN C 576 " --> pdb=" O PRO C 572 " (cutoff:3.500A) removed outlier: 4.321A pdb=" N ILE C 577 " --> pdb=" O GLU C 573 " (cutoff:3.500A) removed outlier: 3.965A pdb=" N ILE C 578 " --> pdb=" O VAL C 574 " (cutoff:3.500A) No H-bonds generated for 'chain 'C' and resid 572 through 578' Processing helix chain 'C' and resid 579 through 594 removed outlier: 3.644A pdb=" N LEU C 590 " --> pdb=" O ILE C 586 " (cutoff:3.500A) removed outlier: 3.661A pdb=" N ASP C 591 " --> pdb=" O ILE C 587 " (cutoff:3.500A) Processing helix chain 'C' and resid 596 through 609 removed outlier: 4.132A pdb=" N LEU C 600 " --> pdb=" O ASN C 596 " (cutoff:3.500A) removed outlier: 3.774A pdb=" N ASP C 601 " --> pdb=" O HIS C 597 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N LEU C 606 " --> pdb=" O VAL C 602 " (cutoff:3.500A) removed outlier: 4.040A pdb=" N CYS C 607 " --> pdb=" O LEU C 603 " (cutoff:3.500A) removed outlier: 4.186A pdb=" N VAL C 608 " --> pdb=" O CYS C 604 " (cutoff:3.500A) removed outlier: 4.520A pdb=" N CYS C 609 " --> pdb=" O SER C 605 " (cutoff:3.500A) Processing helix chain 'C' and resid 614 through 625 removed outlier: 4.159A pdb=" N GLN C 618 " --> pdb=" O VAL C 614 " (cutoff:3.500A) Processing helix chain 'C' and resid 868 through 890 removed outlier: 4.149A pdb=" N GLU C 872 " --> pdb=" O GLU C 868 " (cutoff:3.500A) removed outlier: 4.341A pdb=" N LYS C 873 " --> pdb=" O ARG C 869 " (cutoff:3.500A) removed outlier: 3.719A pdb=" N TRP C 882 " --> pdb=" O ILE C 878 " (cutoff:3.500A) removed outlier: 4.048A pdb=" N ALA C 883 " --> pdb=" O HIS C 879 " (cutoff:3.500A) removed outlier: 4.550A pdb=" N GLU C 888 " --> pdb=" O LEU C 884 " (cutoff:3.500A) removed outlier: 5.356A pdb=" N GLN C 889 " --> pdb=" O THR C 885 " (cutoff:3.500A) Processing helix chain 'C' and resid 914 through 935 removed outlier: 5.328A pdb=" N LEU C 935 " --> pdb=" O THR C 931 " (cutoff:3.500A) Processing helix chain 'C' and resid 943 through 948 removed outlier: 6.414A pdb=" N GLU C 947 " --> pdb=" O ASP C 943 " (cutoff:3.500A) removed outlier: 3.918A pdb=" N ASP C 948 " --> pdb=" O GLU C 944 " (cutoff:3.500A) No H-bonds generated for 'chain 'C' and resid 943 through 948' Processing helix chain 'C' and resid 956 through 961 Processing helix chain 'C' and resid 978 through 999 removed outlier: 3.972A pdb=" N THR C 982 " --> pdb=" O THR C 978 " (cutoff:3.500A) removed outlier: 3.776A pdb=" N VAL C 985 " --> pdb=" O GLN C 981 " (cutoff:3.500A) removed outlier: 3.831A pdb=" N ASP C 986 " --> pdb=" O THR C 982 " (cutoff:3.500A) removed outlier: 3.585A pdb=" N ARG C 987 " --> pdb=" O THR C 983 " (cutoff:3.500A) removed outlier: 4.406A pdb=" N ASP C 999 " --> pdb=" O VAL C 995 " (cutoff:3.500A) Processing helix chain 'C' and resid 1000 through 1005 Processing helix chain 'C' and resid 1030 through 1047 removed outlier: 3.662A pdb=" N ASP C1037 " --> pdb=" O ARG C1033 " (cutoff:3.500A) removed outlier: 4.245A pdb=" N SER C1038 " --> pdb=" O SER C1034 " (cutoff:3.500A) removed outlier: 4.018A pdb=" N LEU C1039 " --> pdb=" O ASN C1035 " (cutoff:3.500A) removed outlier: 4.184A pdb=" N THR C1045 " --> pdb=" O GLN C1041 " (cutoff:3.500A) removed outlier: 4.180A pdb=" N LEU C1046 " --> pdb=" O ALA C1042 " (cutoff:3.500A) Processing helix chain 'C' and resid 1574 through 1581 removed outlier: 4.124A pdb=" N ALA C1578 " --> pdb=" O PRO C1574 " (cutoff:3.500A) removed outlier: 3.939A pdb=" N MET C1579 " --> pdb=" O LEU C1575 " (cutoff:3.500A) removed outlier: 3.681A pdb=" N PHE C1580 " --> pdb=" O SER C1576 " (cutoff:3.500A) removed outlier: 3.693A pdb=" N LEU C1581 " --> pdb=" O ALA C1577 " (cutoff:3.500A) No H-bonds generated for 'chain 'C' and resid 1574 through 1581' Processing helix chain 'C' and resid 1649 through 1654 removed outlier: 4.230A pdb=" N LEU C1653 " --> pdb=" O ASP C1649 " (cutoff:3.500A) removed outlier: 5.307A pdb=" N SER C1654 " --> pdb=" O ILE C1650 " (cutoff:3.500A) No H-bonds generated for 'chain 'C' and resid 1649 through 1654' Processing helix chain 'C' and resid 1656 through 1675 removed outlier: 5.925A pdb=" N GLN C1660 " --> pdb=" O ARG C1656 " (cutoff:3.500A) removed outlier: 4.807A pdb=" N ARG C1661 " --> pdb=" O LEU C1657 " (cutoff:3.500A) removed outlier: 3.515A pdb=" N CYS C1674 " --> pdb=" O TYR C1670 " (cutoff:3.500A) Processing helix chain 'C' and resid 1678 through 1690 removed outlier: 4.712A pdb=" N ALA C1682 " --> pdb=" O ASN C1678 " (cutoff:3.500A) removed outlier: 4.070A pdb=" N HIS C1683 " --> pdb=" O ASN C1679 " (cutoff:3.500A) removed outlier: 3.974A pdb=" N ALA C1684 " --> pdb=" O ARG C1680 " (cutoff:3.500A) removed outlier: 3.502A pdb=" N HIS C1688 " --> pdb=" O ALA C1684 " (cutoff:3.500A) removed outlier: 3.964A pdb=" N ASP C1690 " --> pdb=" O CYS C1686 " (cutoff:3.500A) Processing helix chain 'C' and resid 1691 through 1700 removed outlier: 3.693A pdb=" N LEU C1698 " --> pdb=" O LEU C1694 " (cutoff:3.500A) removed outlier: 4.240A pdb=" N GLU C1699 " --> pdb=" O LEU C1695 " (cutoff:3.500A) removed outlier: 4.075A pdb=" N ASP C1700 " --> pdb=" O HIS C1696 " (cutoff:3.500A) Processing helix chain 'C' and resid 1704 through 1719 removed outlier: 6.753A pdb=" N ARG C1708 " --> pdb=" O PRO C1704 " (cutoff:3.500A) removed outlier: 3.899A pdb=" N ALA C1709 " --> pdb=" O GLY C1705 " (cutoff:3.500A) removed outlier: 3.661A pdb=" N HIS C1719 " --> pdb=" O LEU C1715 " (cutoff:3.500A) Processing helix chain 'C' and resid 1720 through 1732 removed outlier: 4.381A pdb=" N SER C1732 " --> pdb=" O ARG C1728 " (cutoff:3.500A) Processing helix chain 'C' and resid 1739 through 1745 removed outlier: 4.315A pdb=" N ILE C1745 " --> pdb=" O GLU C1741 " (cutoff:3.500A) Processing helix chain 'C' and resid 1754 through 1759 removed outlier: 4.437A pdb=" N ARG C1759 " --> pdb=" O GLY C1755 " (cutoff:3.500A) Processing helix chain 'C' and resid 1803 through 1825 removed outlier: 3.739A pdb=" N LEU C1807 " --> pdb=" O PRO C1803 " (cutoff:3.500A) removed outlier: 3.719A pdb=" N ASP C1809 " --> pdb=" O GLU C1805 " (cutoff:3.500A) removed outlier: 3.529A pdb=" N LEU C1812 " --> pdb=" O ARG C1808 " (cutoff:3.500A) removed outlier: 3.568A pdb=" N VAL C1819 " --> pdb=" O LEU C1815 " (cutoff:3.500A) removed outlier: 3.859A pdb=" N ARG C1820 " --> pdb=" O GLY C1816 " (cutoff:3.500A) removed outlier: 3.984A pdb=" N GLN C1824 " --> pdb=" O ARG C1820 " (cutoff:3.500A) removed outlier: 4.550A pdb=" N HIS C1825 " --> pdb=" O ASP C1821 " (cutoff:3.500A) Processing helix chain 'C' and resid 1833 through 1852 Proline residue: C1840 - end of helix removed outlier: 3.530A pdb=" N MET C1851 " --> pdb=" O THR C1847 " (cutoff:3.500A) removed outlier: 3.576A pdb=" N GLY C1852 " --> pdb=" O LEU C1848 " (cutoff:3.500A) Processing helix chain 'C' and resid 1855 through 1865 removed outlier: 4.344A pdb=" N MET C1865 " --> pdb=" O GLN C1861 " (cutoff:3.500A) Processing helix chain 'C' and resid 1866 through 1871 removed outlier: 3.633A pdb=" N PHE C1871 " --> pdb=" O GLU C1867 " (cutoff:3.500A) Processing helix chain 'C' and resid 1934 through 1984 removed outlier: 4.095A pdb=" N GLN C1938 " --> pdb=" O SER C1934 " (cutoff:3.500A) removed outlier: 3.682A pdb=" N TYR C1945 " --> pdb=" O ASN C1941 " (cutoff:3.500A) removed outlier: 3.798A pdb=" N PHE C1946 " --> pdb=" O LEU C1942 " (cutoff:3.500A) removed outlier: 3.795A pdb=" N GLU C1950 " --> pdb=" O PHE C1946 " (cutoff:3.500A) removed outlier: 3.815A pdb=" N LEU C1951 " --> pdb=" O CYS C1947 " (cutoff:3.500A) removed outlier: 3.645A pdb=" N GLU C1963 " --> pdb=" O ALA C1959 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N ARG C1964 " --> pdb=" O ALA C1960 " (cutoff:3.500A) removed outlier: 3.612A pdb=" N SER C1975 " --> pdb=" O ALA C1971 " (cutoff:3.500A) removed outlier: 5.218A pdb=" N PHE C1984 " --> pdb=" O LEU C1980 " (cutoff:3.500A) Processing helix chain 'C' and resid 1987 through 1999 removed outlier: 4.142A pdb=" N ARG C1996 " --> pdb=" O ALA C1992 " (cutoff:3.500A) removed outlier: 4.755A pdb=" N GLU C1997 " --> pdb=" O ARG C1993 " (cutoff:3.500A) removed outlier: 3.570A pdb=" N PHE C1998 " --> pdb=" O ARG C1994 " (cutoff:3.500A) Processing helix chain 'C' and resid 2001 through 2015 removed outlier: 3.695A pdb=" N LEU C2009 " --> pdb=" O GLN C2005 " (cutoff:3.500A) removed outlier: 3.999A pdb=" N LEU C2010 " --> pdb=" O ILE C2006 " (cutoff:3.500A) removed outlier: 3.675A pdb=" N HIS C2011 " --> pdb=" O ASN C2007 " (cutoff:3.500A) removed outlier: 3.690A pdb=" N PHE C2012 " --> pdb=" O MET C2008 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N LYS C2013 " --> pdb=" O LEU C2009 " (cutoff:3.500A) removed outlier: 3.929A pdb=" N GLU C2015 " --> pdb=" O HIS C2011 " (cutoff:3.500A) Processing helix chain 'C' and resid 2027 through 2043 removed outlier: 4.807A pdb=" N LEU C2031 " --> pdb=" O ILE C2027 " (cutoff:3.500A) removed outlier: 3.842A pdb=" N GLN C2032 " --> pdb=" O ARG C2028 " (cutoff:3.500A) removed outlier: 4.617A pdb=" N GLY C2043 " --> pdb=" O LEU C2039 " (cutoff:3.500A) Processing helix chain 'C' and resid 2093 through 2109 removed outlier: 3.698A pdb=" N VAL C2103 " --> pdb=" O SER C2099 " (cutoff:3.500A) removed outlier: 4.071A pdb=" N ASP C2109 " --> pdb=" O TRP C2105 " (cutoff:3.500A) Processing helix chain 'C' and resid 2113 through 2130 removed outlier: 3.742A pdb=" N VAL C2117 " --> pdb=" O SER C2113 " (cutoff:3.500A) removed outlier: 3.501A pdb=" N ARG C2126 " --> pdb=" O SER C2122 " (cutoff:3.500A) removed outlier: 3.800A 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: 5.685A pdb=" N TYR C2142 " --> pdb=" O LEU C2138 " (cutoff:3.500A) Processing helix chain 'C' and resid 2148 through 2169 removed outlier: 3.716A pdb=" N THR C2152 " --> pdb=" O SER C2148 " (cutoff:3.500A) removed outlier: 3.685A pdb=" N SER C2154 " --> pdb=" O GLU C2150 " (cutoff:3.500A) removed outlier: 3.504A pdb=" N LEU C2155 " --> pdb=" O ASP C2151 " (cutoff:3.500A) removed outlier: 3.620A pdb=" N GLN C2161 " --> pdb=" O GLU C2157 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N LEU C2166 " --> pdb=" O ILE C2162 " (cutoff:3.500A) removed outlier: 4.608A pdb=" N ILE C2167 " --> pdb=" O ARG C2163 " (cutoff:3.500A) removed outlier: 4.654A pdb=" N VAL C2168 " --> pdb=" O SER C2164 " (cutoff:3.500A) removed outlier: 5.470A pdb=" N GLN C2169 " --> pdb=" O LEU C2165 " (cutoff:3.500A) Processing helix chain 'C' and resid 2171 through 2188 removed outlier: 3.697A pdb=" N ASN C2176 " --> pdb=" O PRO C2172 " (cutoff:3.500A) removed outlier: 3.597A pdb=" N LEU C2177 " --> pdb=" O GLN C2173 " (cutoff:3.500A) removed outlier: 3.597A pdb=" N MET C2186 " --> pdb=" O ILE C2182 " (cutoff:3.500A) removed outlier: 4.334A pdb=" N ASN C2187 " --> pdb=" O GLY C2183 " (cutoff:3.500A) removed outlier: 4.835A pdb=" N ASN C2188 " --> pdb=" O ASN C2184 " (cutoff:3.500A) Processing helix chain 'C' and resid 2189 through 2195 removed outlier: 4.477A pdb=" N GLN C2193 " --> pdb=" O LYS C2189 " (cutoff:3.500A) removed outlier: 3.682A pdb=" N HIS C2194 " --> pdb=" O VAL C2190 " (cutoff:3.500A) Proline residue: C2195 - end of helix No H-bonds generated for 'chain 'C' and resid 2189 through 2195' Processing helix chain 'C' and resid 2196 through 2202 Processing helix chain 'C' and resid 2203 through 2216 removed outlier: 3.800A pdb=" N ASN C2213 " --> pdb=" O GLU C2209 " (cutoff:3.500A) removed outlier: 3.961A pdb=" N VAL C2214 " --> pdb=" O VAL C2210 " (cutoff:3.500A) removed outlier: 3.688A pdb=" N LEU C2215 " --> pdb=" O MET C2211 " (cutoff:3.500A) Processing helix chain 'C' and resid 2225 through 2244 removed outlier: 4.722A pdb=" N VAL C2229 " --> pdb=" O PHE C2225 " (cutoff:3.500A) removed outlier: 6.866A pdb=" N THR C2230 " --> pdb=" O PRO C2226 " (cutoff:3.500A) removed outlier: 4.215A pdb=" N SER C2231 " --> pdb=" O LYS C2227 " (cutoff:3.500A) removed outlier: 3.506A pdb=" N ILE C2242 " --> pdb=" O TYR C2238 " (cutoff:3.500A) removed outlier: 4.585A pdb=" N SER C2243 " --> pdb=" O PHE C2239 " (cutoff:3.500A) removed outlier: 5.177A pdb=" N ARG C2244 " --> pdb=" O CYS C2240 " (cutoff:3.500A) Processing helix chain 'C' and resid 2245 through 2255 removed outlier: 3.750A pdb=" N SER C2249 " --> pdb=" O GLN C2245 " (cutoff:3.500A) removed outlier: 3.793A pdb=" N ASP C2252 " --> pdb=" O ARG C2248 " (cutoff:3.500A) removed outlier: 4.816A pdb=" N HIS C2253 " --> pdb=" O SER C2249 " (cutoff:3.500A) removed outlier: 4.432A pdb=" N LEU C2254 " --> pdb=" O MET C2250 " (cutoff:3.500A) removed outlier: 5.160A pdb=" N SER C2255 " --> pdb=" O PHE C2251 " (cutoff:3.500A) Processing helix chain 'C' and resid 2256 through 2265 removed outlier: 3.615A pdb=" N ASN C2260 " --> pdb=" O TYR C2256 " (cutoff:3.500A) removed outlier: 4.413A pdb=" N GLY C2262 " --> pdb=" O LEU C2258 " (cutoff:3.500A) removed outlier: 4.912A pdb=" N ILE C2263 " --> pdb=" O GLU C2259 " (cutoff:3.500A) removed outlier: 3.708A pdb=" N GLY C2264 " --> pdb=" O ASN C2260 " (cutoff:3.500A) removed outlier: 4.266A pdb=" N LEU C2265 " --> pdb=" O SER C2261 " (cutoff:3.500A) Processing helix chain 'C' and resid 2271 through 2282 removed outlier: 3.747A pdb=" N VAL C2275 " --> pdb=" O THR C2271 " (cutoff:3.500A) removed outlier: 3.854A pdb=" N ALA C2276 " --> pdb=" O PRO C2272 " (cutoff:3.500A) removed outlier: 4.021A pdb=" N VAL C2280 " --> pdb=" O ALA C2276 " (cutoff:3.500A) removed outlier: 4.096A pdb=" N ILE C2281 " --> pdb=" O ALA C2277 " (cutoff:3.500A) removed outlier: 5.347A pdb=" N ASP C2282 " --> pdb=" O ALA C2278 " (cutoff:3.500A) Processing helix chain 'C' and resid 2286 through 2291 removed outlier: 3.597A pdb=" N LEU C2290 " --> pdb=" O LEU C2286 " (cutoff:3.500A) removed outlier: 4.532A pdb=" N GLN C2291 " --> pdb=" O ALA C2287 " (cutoff:3.500A) No H-bonds generated for 'chain 'C' and resid 2286 through 2291' Processing helix chain 'C' and resid 2294 through 2309 removed outlier: 3.632A pdb=" N VAL C2299 " --> pdb=" O LEU C2295 " (cutoff:3.500A) removed outlier: 4.136A pdb=" N SER C2300 " --> pdb=" O GLU C2296 " (cutoff:3.500A) removed outlier: 3.617A pdb=" N TYR C2301 " --> pdb=" O LYS C2297 " (cutoff:3.500A) removed outlier: 3.768A pdb=" N LEU C2302 " --> pdb=" O VAL C2298 " (cutoff:3.500A) removed outlier: 3.663A pdb=" N LEU C2307 " --> pdb=" O ALA C2303 " (cutoff:3.500A) removed outlier: 5.093A pdb=" N SER C2309 " --> pdb=" O CYS C2305 " (cutoff:3.500A) Processing helix chain 'C' and resid 2310 through 2315 removed outlier: 3.684A pdb=" N LEU C2314 " --> pdb=" O CYS C2310 " (cutoff:3.500A) Processing helix chain 'C' and resid 2324 through 2340 removed outlier: 3.564A pdb=" N ARG C2330 " --> pdb=" O CYS C2326 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N TYR C2331 " --> pdb=" O GLY C2327 " (cutoff:3.500A) removed outlier: 4.507A pdb=" N LEU C2332 " --> pdb=" O GLY C2328 " (cutoff:3.500A) removed outlier: 5.147A pdb=" N ASP C2333 " --> pdb=" O GLU C2329 " (cutoff:3.500A) removed outlier: 5.123A pdb=" N PHE C2334 " --> pdb=" O ARG C2330 " (cutoff:3.500A) removed outlier: 6.555A pdb=" N LEU C2335 " --> pdb=" O TYR C2331 " (cutoff:3.500A) removed outlier: 3.533A pdb=" N PHE C2337 " --> pdb=" O ASP C2333 " (cutoff:3.500A) Processing helix chain 'C' and resid 2346 through 2361 removed outlier: 3.852A pdb=" N VAL C2352 " --> pdb=" O GLU C2348 " (cutoff:3.500A) removed outlier: 3.777A pdb=" N ARG C2359 " --> pdb=" O ARG C2355 " (cutoff:3.500A) removed outlier: 4.466A 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 Proline residue: C2390 - end of helix Processing helix chain 'C' and resid 2417 through 2438 Proline residue: C2438 - end of helix Processing helix chain 'C' and resid 2440 through 2447 removed outlier: 3.634A pdb=" N GLY C2446 " --> pdb=" O LEU C2442 " (cutoff:3.500A) Processing helix chain 'C' and resid 2448 through 2462 removed outlier: 4.152A pdb=" N ARG C2452 " --> pdb=" O GLY C2448 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N ILE C2453 " --> pdb=" O GLU C2449 " (cutoff:3.500A) Proline residue: C2462 - end of helix Processing helix chain 'C' and resid 2464 through 2472 removed outlier: 3.933A pdb=" N GLY C2468 " --> pdb=" O ASP C2464 " (cutoff:3.500A) removed outlier: 3.515A pdb=" N ILE C2469 " --> pdb=" O ASP C2465 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N SER C2471 " --> pdb=" O VAL C2467 " (cutoff:3.500A) removed outlier: 3.629A pdb=" N LEU C2472 " --> pdb=" O GLY C2468 " (cutoff:3.500A) Processing helix chain 'C' and resid 2751 through 2774 removed outlier: 4.419A pdb=" N ILE C2755 " --> pdb=" O LEU C2751 " (cutoff:3.500A) removed outlier: 3.657A pdb=" N PHE C2758 " --> pdb=" O PHE C2754 " (cutoff:3.500A) removed outlier: 4.088A pdb=" N ALA C2759 " --> pdb=" O ILE C2755 " (cutoff:3.500A) removed outlier: 3.772A pdb=" N THR C2762 " --> pdb=" O PHE C2758 " (cutoff:3.500A) removed outlier: 4.409A pdb=" N HIS C2763 " --> pdb=" O ALA C2759 " (cutoff:3.500A) removed outlier: 5.037A pdb=" N GLU C2764 " --> pdb=" O GLU C2760 " (cutoff:3.500A) removed outlier: 4.831A pdb=" N LYS C2765 " --> pdb=" O TYR C2761 " (cutoff:3.500A) removed outlier: 4.297A pdb=" N TRP C2766 " --> pdb=" O THR C2762 " (cutoff:3.500A) removed outlier: 4.439A pdb=" N ALA C2767 " --> pdb=" O HIS C2763 " (cutoff:3.500A) removed outlier: 4.013A pdb=" N PHE C2768 " --> pdb=" O GLU C2764 " (cutoff:3.500A) removed outlier: 4.703A pdb=" N ASP C2769 " --> pdb=" O LYS C2765 " (cutoff:3.500A) removed outlier: 5.483A pdb=" N LYS C2770 " --> pdb=" O TRP C2766 " (cutoff:3.500A) removed outlier: 5.473A pdb=" N ILE C2771 " --> pdb=" O ALA C2767 " (cutoff:3.500A) removed outlier: 3.886A pdb=" N GLN C2772 " --> pdb=" O PHE C2768 " (cutoff:3.500A) removed outlier: 3.932A pdb=" N ASN C2773 " --> pdb=" O ASP C2769 " (cutoff:3.500A) Processing helix chain 'C' and resid 2798 through 2804 removed outlier: 4.904A pdb=" N LYS C2802 " --> pdb=" O SER C2798 " (cutoff:3.500A) Processing helix chain 'C' and resid 2872 through 2896 removed outlier: 5.289A pdb=" N GLU C2876 " --> pdb=" O GLN C2872 " (cutoff:3.500A) removed outlier: 4.123A pdb=" N GLN C2877 " --> pdb=" O ALA C2873 " (cutoff:3.500A) removed outlier: 4.478A pdb=" N ALA C2879 " --> pdb=" O ALA C2875 " (cutoff:3.500A) removed outlier: 4.568A pdb=" N ASN C2881 " --> pdb=" O GLN C2877 " (cutoff:3.500A) removed outlier: 5.220A pdb=" N TYR C2882 " --> pdb=" O LEU C2878 " (cutoff:3.500A) removed outlier: 3.997A pdb=" N LYS C2890 " --> pdb=" O TRP C2886 " (cutoff:3.500A) removed outlier: 5.215A pdb=" N LYS C2891 " --> pdb=" O GLY C2887 " (cutoff:3.500A) removed outlier: 4.831A pdb=" N GLN C2892 " --> pdb=" O ARG C2888 " (cutoff:3.500A) removed outlier: 5.495A pdb=" N GLU C2893 " --> pdb=" O LYS C2889 " (cutoff:3.500A) removed outlier: 5.830A pdb=" N LEU C2894 " --> pdb=" O LYS C2890 " (cutoff:3.500A) removed outlier: 5.263A pdb=" N ALA C2896 " --> pdb=" O GLN C2892 " (cutoff:3.500A) Processing helix chain 'C' and resid 2919 through 2930 removed outlier: 4.242A pdb=" N ALA C2923 " --> pdb=" O ASP C2919 " (cutoff:3.500A) removed outlier: 3.999A pdb=" N GLU C2925 " --> pdb=" O GLU C2921 " (cutoff:3.500A) removed outlier: 4.511A pdb=" N LYS C2928 " --> pdb=" O GLN C2924 " (cutoff:3.500A) removed outlier: 4.083A pdb=" N PHE C2929 " --> pdb=" O GLU C2925 " (cutoff:3.500A) removed outlier: 4.120A pdb=" N LEU C2930 " --> pdb=" O LEU C2926 " (cutoff:3.500A) Processing helix chain 'C' and resid 3645 through 3657 removed outlier: 3.669A pdb=" N LEU C3654 " --> pdb=" O CYS C3650 " (cutoff:3.500A) removed outlier: 4.176A pdb=" N GLU C3655 " --> pdb=" O ASN C3651 " (cutoff:3.500A) removed outlier: 4.569A pdb=" N SER C3656 " --> pdb=" O MET C3652 " (cutoff:3.500A) removed outlier: 5.351A pdb=" N TYR C3657 " --> pdb=" O PHE C3653 " (cutoff:3.500A) Processing helix chain 'C' and resid 3668 through 3683 removed outlier: 5.371A pdb=" N ALA C3680 " --> pdb=" O ASP C3676 " (cutoff:3.500A) removed outlier: 6.854A pdb=" N GLY C3681 " --> pdb=" O LEU C3677 " (cutoff:3.500A) removed outlier: 4.236A pdb=" N GLU C3682 " --> pdb=" O SER C3678 " (cutoff:3.500A) Processing helix chain 'C' and resid 3696 through 3712 removed outlier: 5.657A pdb=" N GLU C3712 " --> pdb=" O THR C3708 " (cutoff:3.500A) Processing helix chain 'C' and resid 3719 through 3736 removed outlier: 3.529A pdb=" N MET C3723 " --> pdb=" O ASP C3719 " (cutoff:3.500A) removed outlier: 3.652A pdb=" N ASP C3727 " --> pdb=" O MET C3723 " (cutoff:3.500A) removed outlier: 3.579A pdb=" N SER C3732 " --> pdb=" O ILE C3728 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N CYS C3733 " --> pdb=" O MET C3729 " (cutoff:3.500A) removed outlier: 4.325A pdb=" N GLU C3736 " --> pdb=" O SER C3732 " (cutoff:3.500A) Processing helix chain 'C' and resid 3752 through 3761 Processing helix chain 'C' and resid 3764 through 3771 removed outlier: 4.824A pdb=" N SER C3768 " --> pdb=" O LEU C3764 " (cutoff:3.500A) removed outlier: 4.545A pdb=" N HIS C3771 " --> pdb=" O GLN C3767 " (cutoff:3.500A) Processing helix chain 'C' and resid 3772 through 3787 removed outlier: 3.629A pdb=" N ALA C3776 " --> pdb=" O THR C3772 " (cutoff:3.500A) removed outlier: 4.963A pdb=" N GLU C3777 " --> pdb=" O ARG C3773 " (cutoff:3.500A) removed outlier: 3.618A pdb=" N MET C3778 " --> pdb=" O GLY C3774 " (cutoff:3.500A) removed outlier: 4.170A pdb=" N CYS C3786 " --> pdb=" O MET C3782 " (cutoff:3.500A) removed outlier: 5.356A pdb=" N LYS C3787 " --> pdb=" O ILE C3783 " (cutoff:3.500A) Processing helix chain 'C' and resid 3791 through 3806 removed outlier: 3.950A pdb=" N LEU C3805 " --> pdb=" O GLY C3801 " (cutoff:3.500A) Processing helix chain 'C' and resid 3809 through 3824 removed outlier: 3.592A pdb=" N TYR C3819 " --> pdb=" O LYS C3815 " (cutoff:3.500A) Processing helix chain 'C' and resid 3826 through 3839 removed outlier: 7.089A pdb=" N GLN C3830 " --> pdb=" O VAL C3826 " (cutoff:3.500A) removed outlier: 3.509A pdb=" N THR C3838 " --> pdb=" O ALA C3834 " (cutoff:3.500A) removed outlier: 4.333A pdb=" N CYS C3839 " --> pdb=" O LEU C3835 " (cutoff:3.500A) Processing helix chain 'C' and resid 3843 through 3858 removed outlier: 3.663A pdb=" N GLY C3855 " --> pdb=" O ASN C3851 " (cutoff:3.500A) removed outlier: 4.425A pdb=" N LEU C3856 " --> pdb=" O LYS C3852 " (cutoff:3.500A) removed outlier: 4.504A pdb=" N GLY C3857 " --> pdb=" O ALA C3853 " (cutoff:3.500A) removed outlier: 5.580A pdb=" N MET C3858 " --> pdb=" O GLU C3854 " (cutoff:3.500A) Processing helix chain 'C' and resid 3877 through 3893 removed outlier: 3.848A pdb=" N ASP C3883 " --> pdb=" O GLU C3879 " (cutoff:3.500A) removed outlier: 4.324A pdb=" N CYS C3892 " --> pdb=" O LEU C3888 " (cutoff:3.500A) removed outlier: 3.596A pdb=" N GLU C3893 " --> pdb=" O GLN C3889 " (cutoff:3.500A) Processing helix chain 'C' and resid 3896 through 3905 removed outlier: 6.439A pdb=" N GLN C3900 " --> pdb=" O ASN C3896 " (cutoff:3.500A) removed outlier: 4.136A pdb=" N ASN C3901 " --> pdb=" O ASN C3897 " (cutoff:3.500A) removed outlier: 3.649A pdb=" N ARG C3904 " --> pdb=" O GLN C3900 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N THR C3905 " --> pdb=" O ASN C3901 " (cutoff:3.500A) Processing helix chain 'C' and resid 3914 through 3939 removed outlier: 3.596A pdb=" N CYS C3918 " --> pdb=" O ASN C3914 " (cutoff:3.500A) removed outlier: 3.537A pdb=" N TRP C3935 " --> pdb=" O SER C3931 " (cutoff:3.500A) removed outlier: 3.723A pdb=" N TYR C3936 " --> pdb=" O ASP C3932 " (cutoff:3.500A) removed outlier: 3.762A pdb=" N TYR C3937 " --> pdb=" O PHE C3933 " (cutoff:3.500A) removed outlier: 4.306A pdb=" N GLY C3939 " --> pdb=" O TRP C3935 " (cutoff:3.500A) Processing helix chain 'C' and resid 3944 through 3970 removed outlier: 3.697A pdb=" N LYS C3953 " --> pdb=" O ARG C3949 " (cutoff:3.500A) removed outlier: 4.148A pdb=" N ALA C3954 " --> pdb=" O ASN C3950 " (cutoff:3.500A) removed outlier: 4.033A pdb=" N MET C3955 " --> pdb=" O PHE C3951 " (cutoff:3.500A) removed outlier: 3.936A pdb=" N SER C3956 " --> pdb=" O SER C3952 " (cutoff:3.500A) removed outlier: 3.743A pdb=" N VAL C3957 " --> pdb=" O LYS C3953 " (cutoff:3.500A) removed outlier: 3.969A pdb=" N GLU C3967 " --> pdb=" O ASN C3963 " (cutoff:3.500A) removed outlier: 3.902A pdb=" N TYR C3968 " --> pdb=" O SER C3964 " (cutoff:3.500A) removed outlier: 3.886A pdb=" N ILE C3969 " --> pdb=" O LEU C3965 " (cutoff:3.500A) Processing helix chain 'C' and resid 3973 through 3984 removed outlier: 5.107A pdb=" N ARG C3984 " --> pdb=" O LEU C3980 " (cutoff:3.500A) Processing helix chain 'C' and resid 3985 through 4006 removed outlier: 3.530A pdb=" N HIS C3998 " --> pdb=" O HIS C3994 " (cutoff:3.500A) removed outlier: 3.742A pdb=" N MET C4001 " --> pdb=" O ALA C3997 " (cutoff:3.500A) removed outlier: 4.209A pdb=" N GLN C4005 " --> pdb=" O MET C4001 " (cutoff:3.500A) removed outlier: 4.775A pdb=" N ASP C4006 " --> pdb=" O LYS C4002 " (cutoff:3.500A) Processing helix chain 'C' and resid 4009 through 4032 removed outlier: 3.578A pdb=" N LEU C4013 " --> pdb=" O GLN C4009 " (cutoff:3.500A) removed outlier: 3.740A pdb=" N LEU C4030 " --> pdb=" O MET C4026 " (cutoff:3.500A) removed outlier: 4.429A pdb=" N LEU C4031 " --> pdb=" O LEU C4027 " (cutoff:3.500A) removed outlier: 4.427A pdb=" N GLU C4032 " --> pdb=" O LEU C4028 " (cutoff:3.500A) Processing helix chain 'C' and resid 4038 through 4052 removed outlier: 6.327A pdb=" N ARG C4042 " --> pdb=" O GLY C4038 " (cutoff:3.500A) removed outlier: 4.261A pdb=" N GLN C4043 " --> pdb=" O MET C4039 " (cutoff:3.500A) Processing helix chain 'C' and resid 4053 through 4072 removed outlier: 3.834A pdb=" N MET C4057 " --> pdb=" O SER C4053 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N PHE C4062 " --> pdb=" O ILE C4058 " (cutoff:3.500A) removed outlier: 3.617A pdb=" N PHE C4065 " --> pdb=" O PHE C4061 " (cutoff:3.500A) removed outlier: 3.733A pdb=" N LYS C4069 " --> pdb=" O PHE C4065 " (cutoff:3.500A) removed outlier: 4.278A pdb=" N ASP C4070 " --> pdb=" O LEU C4066 " (cutoff:3.500A) removed outlier: 3.667A pdb=" N ILE C4071 " --> pdb=" O LYS C4067 " (cutoff:3.500A) Processing helix chain 'C' and resid 4074 through 4081 removed outlier: 5.025A pdb=" N TYR C4080 " --> pdb=" O ALA C4076 " (cutoff:3.500A) removed outlier: 4.406A pdb=" N VAL C4081 " --> pdb=" O PHE C4077 " (cutoff:3.500A) Processing helix chain 'C' and resid 4090 through 4101 removed outlier: 3.722A pdb=" N GLN C4094 " --> pdb=" O LYS C4090 " (cutoff:3.500A) removed outlier: 4.241A pdb=" N LYS C4095 " --> pdb=" O LYS C4091 " (cutoff:3.500A) removed outlier: 3.657A pdb=" N GLN C4100 " --> pdb=" O ALA C4096 " (cutoff:3.500A) removed outlier: 4.611A pdb=" N LYS C4101 " --> pdb=" O MET C4097 " (cutoff:3.500A) Processing helix chain 'C' and resid 4104 through 4116 removed outlier: 3.833A pdb=" N ILE C4108 " --> pdb=" O THR C4104 " (cutoff:3.500A) removed outlier: 4.042A pdb=" N GLN C4109 " --> pdb=" O GLY C4105 " (cutoff:3.500A) removed outlier: 4.823A pdb=" N GLU C4116 " --> pdb=" O LEU C4112 " (cutoff:3.500A) Processing helix chain 'C' and resid 4124 through 4137 removed outlier: 5.336A pdb=" N PHE C4132 " --> pdb=" O PHE C4128 " (cutoff:3.500A) removed outlier: 4.858A pdb=" N GLN C4133 " --> pdb=" O ALA C4129 " (cutoff:3.500A) removed outlier: 4.352A pdb=" N GLU C4134 " --> pdb=" O ASN C4130 " (cutoff:3.500A) Proline residue: C4135 - end of helix Processing helix chain 'C' and resid 4138 through 4154 Processing helix chain 'C' and resid 4157 through 4168 removed outlier: 4.226A pdb=" N PHE C4163 " --> pdb=" O ARG C4159 " (cutoff:3.500A) removed outlier: 4.006A pdb=" N LEU C4164 " --> pdb=" O LEU C4160 " (cutoff:3.500A) removed outlier: 4.226A pdb=" N GLU C4165 " --> pdb=" O ARG C4161 " (cutoff:3.500A) removed outlier: 3.717A pdb=" N LEU C4166 " --> pdb=" O ASN C4162 " (cutoff:3.500A) Processing helix chain 'C' and resid 4169 through 4175 Processing helix chain 'C' and resid 4198 through 4207 removed outlier: 4.034A pdb=" N ARG C4202 " --> pdb=" O SER C4198 " (cutoff:3.500A) removed outlier: 3.600A pdb=" N GLN C4204 " --> pdb=" O THR C4200 " (cutoff:3.500A) removed outlier: 4.691A pdb=" N MET C4207 " --> pdb=" O ALA C4203 " (cutoff:3.500A) Processing helix chain 'C' and resid 4208 through 4224 removed outlier: 3.543A pdb=" N ASN C4223 " --> pdb=" O PHE C4219 " (cutoff:3.500A) Processing helix chain 'C' and resid 4229 through 4252 removed outlier: 4.170A pdb=" N SER C4252 " --> pdb=" O ALA C4248 " (cutoff:3.500A) Processing helix chain 'C' and resid 4543 through 4559 removed outlier: 4.610A pdb=" N GLN C4547 " --> pdb=" O GLU C4543 " (cutoff:3.500A) removed outlier: 3.800A pdb=" N ARG C4557 " --> pdb=" O ASN C4553 " (cutoff:3.500A) removed outlier: 3.977A pdb=" N ASN C4558 " --> pdb=" O TYR C4554 " (cutoff:3.500A) removed outlier: 3.708A pdb=" N PHE C4559 " --> pdb=" O LEU C4555 " (cutoff:3.500A) Processing helix chain 'C' and resid 4560 through 4579 removed outlier: 4.231A pdb=" N PHE C4579 " --> pdb=" O PHE C4575 " (cutoff:3.500A) Processing helix chain 'C' and resid 4643 through 4684 removed outlier: 3.578A pdb=" N THR C4651 " --> pdb=" O SER C4647 " (cutoff:3.500A) removed outlier: 3.656A pdb=" N ILE C4658 " --> pdb=" O ALA C4654 " (cutoff:3.500A) removed outlier: 3.559A pdb=" N ILE C4659 " --> pdb=" O PHE C4655 " (cutoff:3.500A) removed outlier: 3.536A pdb=" N CYS C4663 " --> pdb=" O ILE C4659 " (cutoff:3.500A) removed outlier: 3.502A pdb=" N LEU C4664 " --> pdb=" O GLY C4660 " (cutoff:3.500A) removed outlier: 3.698A pdb=" N VAL C4666 " --> pdb=" O ASN C4662 " (cutoff:3.500A) Proline residue: C4667 - end of helix removed outlier: 3.599A pdb=" N ASP C4684 " --> pdb=" O LYS C4680 " (cutoff:3.500A) Processing helix chain 'C' and resid 4696 through 4707 removed outlier: 3.585A pdb=" N ARG C4703 " --> pdb=" O GLY C4699 " (cutoff:3.500A) removed outlier: 4.496A pdb=" N LEU C4704 " --> pdb=" O GLN C4700 " (cutoff:3.500A) removed outlier: 4.656A pdb=" N VAL C4705 " --> pdb=" O TRP C4701 " (cutoff:3.500A) removed outlier: 3.949A pdb=" N LEU C4706 " --> pdb=" O ASP C4702 " (cutoff:3.500A) removed outlier: 4.988A pdb=" N ASN C4707 " --> pdb=" O ARG C4703 " (cutoff:3.500A) Processing helix chain 'C' and resid 4719 through 4729 removed outlier: 3.502A pdb=" N LEU C4725 " --> pdb=" O LYS C4721 " (cutoff:3.500A) Processing helix chain 'C' and resid 4733 through 4742 removed outlier: 4.424A pdb=" N GLY C4742 " --> pdb=" O ALA C4738 " (cutoff:3.500A) Processing helix chain 'C' and resid 4749 through 4754 Processing helix chain 'C' and resid 4766 through 4771 removed outlier: 4.263A pdb=" N SER C4770 " --> pdb=" O THR C4766 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N ILE C4771 " --> pdb=" O TRP C4767 " (cutoff:3.500A) No H-bonds generated for 'chain 'C' and resid 4766 through 4771' Processing helix chain 'C' and resid 4772 through 4786 removed outlier: 3.990A pdb=" N ASP C4786 " --> pdb=" O VAL C4782 " (cutoff:3.500A) Processing helix chain 'C' and resid 4787 through 4803 removed outlier: 4.461A pdb=" N HIS C4803 " --> pdb=" O SER C4799 " (cutoff:3.500A) Processing helix chain 'C' and resid 4807 through 4820 removed outlier: 4.622A pdb=" N ALA C4811 " --> pdb=" O PHE C4807 " (cutoff:3.500A) removed outlier: 4.635A pdb=" N HIS C4812 " --> pdb=" O PHE C4808 " (cutoff:3.500A) removed outlier: 4.537A pdb=" N LEU C4813 " --> pdb=" O PHE C4809 " (cutoff:3.500A) removed outlier: 4.604A pdb=" N LEU C4814 " --> pdb=" O ALA C4810 " (cutoff:3.500A) removed outlier: 3.885A pdb=" N ASP C4815 " --> pdb=" O ALA C4811 " (cutoff:3.500A) removed outlier: 3.934A pdb=" N MET C4818 " --> pdb=" O LEU C4814 " (cutoff:3.500A) removed outlier: 4.768A pdb=" N GLY C4819 " --> pdb=" O ASP C4815 " (cutoff:3.500A) removed outlier: 4.813A pdb=" N VAL C4820 " --> pdb=" O ILE C4816 " (cutoff:3.500A) Processing helix chain 'C' and resid 4821 through 4832 removed outlier: 3.815A pdb=" N THR C4825 " --> pdb=" O LYS C4821 " (cutoff:3.500A) removed outlier: 3.585A pdb=" N ILE C4826 " --> pdb=" O THR C4822 " (cutoff:3.500A) removed outlier: 3.855A pdb=" N SER C4829 " --> pdb=" O THR C4825 " (cutoff:3.500A) removed outlier: 4.263A pdb=" N VAL C4830 " --> pdb=" O ILE C4826 " (cutoff:3.500A) Processing helix chain 'C' and resid 4833 through 4858 removed outlier: 3.510A pdb=" N PHE C4858 " --> pdb=" O VAL C4854 " (cutoff:3.500A) Processing helix chain 'C' and resid 4878 through 4893 removed outlier: 4.308A pdb=" N VAL C4891 " --> pdb=" O MET C4887 " (cutoff:3.500A) removed outlier: 4.722A pdb=" N ARG C4892 " --> pdb=" O TYR C4888 " (cutoff:3.500A) Processing helix chain 'C' and resid 4897 through 4902 removed outlier: 3.825A pdb=" N ILE C4901 " --> pdb=" O ILE C4897 " (cutoff:3.500A) removed outlier: 5.483A pdb=" N GLU C4902 " --> pdb=" O GLY C4898 " (cutoff:3.500A) No H-bonds generated for 'chain 'C' and resid 4897 through 4902' Processing helix chain 'C' and resid 4909 through 4924 removed outlier: 6.122A pdb=" N VAL C4914 " --> pdb=" O GLU C4910 " (cutoff:3.500A) removed outlier: 4.307A pdb=" N VAL C4915 " --> pdb=" O LEU C4911 " (cutoff:3.500A) Processing helix chain 'C' and resid 4928 through 4957 removed outlier: 3.637A pdb=" N ILE C4936 " --> pdb=" O ILE C4932 " (cutoff:3.500A) removed outlier: 3.774A pdb=" N PHE C4940 " --> pdb=" O ILE C4936 " (cutoff:3.500A) removed outlier: 3.819A pdb=" N GLY C4941 " --> pdb=" O ILE C4937 " (cutoff:3.500A) removed outlier: 3.729A pdb=" N VAL C4950 " --> pdb=" O GLN C4946 " (cutoff:3.500A) removed outlier: 3.615A pdb=" N LYS C4951 " --> pdb=" O GLN C4947 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N GLU C4955 " --> pdb=" O LYS C4951 " (cutoff:3.500A) Processing helix chain 'C' and resid 4964 through 4970 removed outlier: 3.836A pdb=" N PHE C4968 " --> pdb=" O GLY C4964 " (cutoff:3.500A) removed outlier: 3.831A 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 4998 removed outlier: 6.509A pdb=" N TYR C4988 " --> pdb=" O ASN C4984 " (cutoff:3.500A) removed outlier: 4.775A pdb=" N MET C4989 " --> pdb=" O LEU C4985 " (cutoff:3.500A) Processing helix chain 'C' and resid 5004 through 5017 removed outlier: 3.673A pdb=" N GLU C5016 " --> pdb=" O LYS C5012 " (cutoff:3.500A) Processing helix chain 'C' and resid 5027 through 5033 removed outlier: 6.431A pdb=" N GLN C5031 " --> pdb=" O CYS C5027 " (cutoff:3.500A) removed outlier: 4.047A pdb=" N TYR C5032 " --> pdb=" O PHE C5028 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N GLU C5033 " --> pdb=" O ARG C5029 " (cutoff:3.500A) No H-bonds generated for 'chain 'C' and resid 5027 through 5033' Processing helix chain 'C' and resid 3865 through 3870 removed outlier: 5.589A pdb=" N ARG C3868 " --> pdb=" O VAL C3865 " (cutoff:3.500A) removed outlier: 4.646A pdb=" N ASN C3870 " --> pdb=" O ASN C3867 " (cutoff:3.500A) Processing helix chain 'C' and resid 4685 through 4690 removed outlier: 3.774A pdb=" N GLU C4690 " --> pdb=" O GLY C4685 " (cutoff:3.500A) No H-bonds generated for 'chain 'C' and resid 4685 through 4690' Processing helix chain 'D' and resid 61 through 66 removed outlier: 4.451A pdb=" N CYS D 65 " --> pdb=" O ASP D 61 " (cutoff:3.500A) Processing helix chain 'D' and resid 74 through 84 removed outlier: 3.631A pdb=" N GLU D 80 " --> pdb=" O ARG D 76 " (cutoff:3.500A) Processing helix chain 'D' and resid 251 through 256 removed outlier: 4.840A pdb=" N HIS D 255 " --> pdb=" O ALA D 251 " (cutoff:3.500A) removed outlier: 5.720A 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: 6.181A pdb=" N THR D 312 " --> pdb=" O HIS D 308 " (cutoff:3.500A) removed outlier: 4.610A pdb=" N SER D 313 " --> pdb=" O THR D 309 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 308 through 313' Processing helix chain 'D' and resid 364 through 371 removed outlier: 3.680A pdb=" N LEU D 369 " --> pdb=" O LYS D 365 " (cutoff:3.500A) removed outlier: 3.827A pdb=" N GLY D 370 " --> pdb=" O ALA D 366 " (cutoff:3.500A) removed outlier: 5.728A pdb=" N VAL D 371 " --> pdb=" O LEU D 367 " (cutoff:3.500A) Processing helix chain 'D' and resid 396 through 423 removed outlier: 3.780A pdb=" N ASP D 419 " --> pdb=" O ILE D 415 " (cutoff:3.500A) removed outlier: 4.171A pdb=" N SER D 420 " --> pdb=" O LYS D 416 " (cutoff:3.500A) removed outlier: 5.119A pdb=" N PHE D 421 " --> pdb=" O GLY D 417 " (cutoff:3.500A) removed outlier: 4.540A pdb=" N SER D 422 " --> pdb=" O LEU D 418 " (cutoff:3.500A) removed outlier: 5.103A pdb=" N GLY D 423 " --> pdb=" O ASP D 419 " (cutoff:3.500A) Processing helix chain 'D' and resid 437 through 453 removed outlier: 4.122A pdb=" N VAL D 441 " --> pdb=" O PRO D 437 " (cutoff:3.500A) removed outlier: 3.937A pdb=" N ILE D 442 " --> pdb=" O ILE D 438 " (cutoff:3.500A) removed outlier: 3.603A pdb=" N LEU D 443 " --> pdb=" O GLU D 439 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N PHE D 452 " --> pdb=" O LEU D 448 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N GLU D 453 " --> pdb=" O ILE D 449 " (cutoff:3.500A) Processing helix chain 'D' and resid 460 through 482 removed outlier: 4.169A pdb=" N SER D 466 " --> pdb=" O GLU D 462 " (cutoff:3.500A) removed outlier: 3.525A pdb=" N GLN D 479 " --> pdb=" O GLN D 475 " (cutoff:3.500A) removed outlier: 3.891A pdb=" N GLU D 480 " --> pdb=" O SER D 476 " (cutoff:3.500A) removed outlier: 4.340A pdb=" N GLU D 481 " --> pdb=" O LEU D 477 " (cutoff:3.500A) removed outlier: 4.450A pdb=" N GLY D 482 " --> pdb=" O PHE D 478 " (cutoff:3.500A) Processing helix chain 'D' and resid 483 through 496 removed outlier: 4.511A pdb=" N VAL D 487 " --> pdb=" O MET D 483 " (cutoff:3.500A) removed outlier: 3.945A pdb=" N CYS D 490 " --> pdb=" O LEU D 486 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N VAL D 496 " --> pdb=" O ASP D 492 " (cutoff:3.500A) Processing helix chain 'D' and resid 512 through 531 removed outlier: 4.285A pdb=" N LYS D 516 " --> pdb=" O ALA D 512 " (cutoff:3.500A) removed outlier: 4.689A pdb=" N GLU D 517 " --> pdb=" O GLU D 513 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N TYR D 523 " --> pdb=" O VAL D 519 " (cutoff:3.500A) removed outlier: 3.576A pdb=" N GLU D 524 " --> pdb=" O ASN D 520 " (cutoff:3.500A) Processing helix chain 'D' and resid 533 through 541 removed outlier: 3.591A pdb=" N CYS D 537 " --> pdb=" O ASN D 533 " (cutoff:3.500A) removed outlier: 3.537A pdb=" N ALA D 538 " --> pdb=" O ARG D 534 " (cutoff:3.500A) removed outlier: 4.341A pdb=" N LEU D 539 " --> pdb=" O ALA D 535 " (cutoff:3.500A) removed outlier: 4.870A pdb=" N PHE D 540 " --> pdb=" O ASN D 536 " (cutoff:3.500A) removed outlier: 5.403A pdb=" N SER D 541 " --> pdb=" O CYS D 537 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 533 through 541' Processing helix chain 'D' and resid 543 through 551 removed outlier: 4.003A pdb=" N LYS D 550 " --> pdb=" O TRP D 546 " (cutoff:3.500A) removed outlier: 4.908A pdb=" N LEU D 551 " --> pdb=" O VAL D 547 " (cutoff:3.500A) Processing helix chain 'D' and resid 556 through 571 removed outlier: 3.705A pdb=" N ILE D 560 " --> pdb=" O ALA D 556 " (cutoff:3.500A) removed outlier: 3.703A pdb=" N LEU D 561 " --> pdb=" O SER D 557 " (cutoff:3.500A) removed outlier: 3.632A pdb=" N VAL D 567 " --> pdb=" O VAL D 563 " (cutoff:3.500A) removed outlier: 3.662A pdb=" N LEU D 568 " --> pdb=" O LEU D 564 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N ILE D 569 " --> pdb=" O TYR D 565 " (cutoff:3.500A) removed outlier: 3.812A pdb=" N GLU D 570 " --> pdb=" O CYS D 566 " (cutoff:3.500A) Processing helix chain 'D' and resid 572 through 578 removed outlier: 4.362A pdb=" N ASN D 576 " --> pdb=" O PRO D 572 " (cutoff:3.500A) removed outlier: 4.361A pdb=" N ILE D 577 " --> pdb=" O GLU D 573 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N ILE D 578 " --> pdb=" O VAL D 574 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 572 through 578' Processing helix chain 'D' and resid 579 through 594 removed outlier: 3.665A pdb=" N LEU D 590 " --> pdb=" O ILE D 586 " (cutoff:3.500A) removed outlier: 3.707A pdb=" N ASP D 591 " --> pdb=" O ILE D 587 " (cutoff:3.500A) Processing helix chain 'D' and resid 596 through 609 removed outlier: 4.128A pdb=" N LEU D 600 " --> pdb=" O ASN D 596 " (cutoff:3.500A) removed outlier: 3.769A pdb=" N ASP D 601 " --> pdb=" O HIS D 597 " (cutoff:3.500A) removed outlier: 3.501A pdb=" N LEU D 606 " --> pdb=" O VAL D 602 " (cutoff:3.500A) removed outlier: 4.091A pdb=" N CYS D 607 " --> pdb=" O LEU D 603 " (cutoff:3.500A) removed outlier: 4.241A pdb=" N VAL D 608 " --> pdb=" O CYS D 604 " (cutoff:3.500A) removed outlier: 4.649A pdb=" N CYS D 609 " --> pdb=" O SER D 605 " (cutoff:3.500A) Processing helix chain 'D' and resid 614 through 625 removed outlier: 4.115A pdb=" N GLN D 618 " --> pdb=" O VAL D 614 " (cutoff:3.500A) removed outlier: 3.543A pdb=" N ASP D 619 " --> pdb=" O ARG D 615 " (cutoff:3.500A) Processing helix chain 'D' and resid 868 through 890 removed outlier: 4.148A pdb=" N GLU D 872 " --> pdb=" O GLU D 868 " (cutoff:3.500A) removed outlier: 4.339A pdb=" N LYS D 873 " --> pdb=" O ARG D 869 " (cutoff:3.500A) removed outlier: 3.720A pdb=" N TRP D 882 " --> pdb=" O ILE D 878 " (cutoff:3.500A) removed outlier: 4.047A pdb=" N ALA D 883 " --> pdb=" O HIS D 879 " (cutoff:3.500A) removed outlier: 4.549A pdb=" N GLU D 888 " --> pdb=" O LEU D 884 " (cutoff:3.500A) removed outlier: 5.357A pdb=" N GLN D 889 " --> pdb=" O THR D 885 " (cutoff:3.500A) Processing helix chain 'D' and resid 914 through 935 removed outlier: 5.328A pdb=" N LEU D 935 " --> pdb=" O THR D 931 " (cutoff:3.500A) Processing helix chain 'D' and resid 943 through 948 removed outlier: 6.417A pdb=" N GLU D 947 " --> pdb=" O ASP D 943 " (cutoff:3.500A) removed outlier: 3.922A pdb=" N ASP D 948 " --> pdb=" O GLU D 944 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 943 through 948' Processing helix chain 'D' and resid 956 through 961 Processing helix chain 'D' and resid 978 through 999 removed outlier: 3.973A pdb=" N THR D 982 " --> pdb=" O THR D 978 " (cutoff:3.500A) removed outlier: 3.776A pdb=" N VAL D 985 " --> pdb=" O GLN D 981 " (cutoff:3.500A) removed outlier: 3.831A pdb=" N ASP D 986 " --> pdb=" O THR D 982 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N ARG D 987 " --> pdb=" O THR D 983 " (cutoff:3.500A) removed outlier: 4.391A pdb=" N ASP D 999 " --> pdb=" O VAL D 995 " (cutoff:3.500A) Processing helix chain 'D' and resid 1000 through 1005 Processing helix chain 'D' and resid 1030 through 1047 removed outlier: 3.660A pdb=" N ASP D1037 " --> pdb=" O ARG D1033 " (cutoff:3.500A) removed outlier: 4.245A pdb=" N SER D1038 " --> pdb=" O SER D1034 " (cutoff:3.500A) removed outlier: 4.018A pdb=" N LEU D1039 " --> pdb=" O ASN D1035 " (cutoff:3.500A) removed outlier: 4.185A pdb=" N THR D1045 " --> pdb=" O GLN D1041 " (cutoff:3.500A) removed outlier: 4.183A pdb=" N LEU D1046 " --> pdb=" O ALA D1042 " (cutoff:3.500A) Processing helix chain 'D' and resid 1574 through 1581 removed outlier: 4.145A pdb=" N ALA D1578 " --> pdb=" O PRO D1574 " (cutoff:3.500A) removed outlier: 3.935A pdb=" N MET D1579 " --> pdb=" O LEU D1575 " (cutoff:3.500A) removed outlier: 3.687A pdb=" N PHE D1580 " --> pdb=" O SER D1576 " (cutoff:3.500A) removed outlier: 3.685A pdb=" N LEU D1581 " --> pdb=" O ALA D1577 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 1574 through 1581' Processing helix chain 'D' and resid 1649 through 1654 removed outlier: 4.112A pdb=" N LEU D1653 " --> pdb=" O ASP D1649 " (cutoff:3.500A) removed outlier: 5.183A pdb=" N SER D1654 " --> pdb=" O ILE D1650 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 1649 through 1654' Processing helix chain 'D' and resid 1656 through 1675 removed outlier: 5.916A pdb=" N GLN D1660 " --> pdb=" O ARG D1656 " (cutoff:3.500A) removed outlier: 4.804A pdb=" N ARG D1661 " --> pdb=" O LEU D1657 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N CYS D1674 " --> pdb=" O TYR D1670 " (cutoff:3.500A) Processing helix chain 'D' and resid 1678 through 1690 removed outlier: 4.696A pdb=" N ALA D1682 " --> pdb=" O ASN D1678 " (cutoff:3.500A) removed outlier: 4.047A pdb=" N HIS D1683 " --> pdb=" O ASN D1679 " (cutoff:3.500A) removed outlier: 3.974A pdb=" N ALA D1684 " --> pdb=" O ARG D1680 " (cutoff:3.500A) removed outlier: 3.506A pdb=" N HIS D1688 " --> pdb=" O ALA D1684 " (cutoff:3.500A) removed outlier: 3.946A pdb=" N ASP D1690 " --> pdb=" O CYS D1686 " (cutoff:3.500A) Processing helix chain 'D' and resid 1691 through 1700 removed outlier: 3.715A pdb=" N LEU D1698 " --> pdb=" O LEU D1694 " (cutoff:3.500A) removed outlier: 4.251A pdb=" N GLU D1699 " --> pdb=" O LEU D1695 " (cutoff:3.500A) removed outlier: 4.093A pdb=" N ASP D1700 " --> pdb=" O HIS D1696 " (cutoff:3.500A) Processing helix chain 'D' and resid 1704 through 1719 removed outlier: 6.764A pdb=" N ARG D1708 " --> pdb=" O PRO D1704 " (cutoff:3.500A) removed outlier: 3.900A pdb=" N ALA D1709 " --> pdb=" O GLY D1705 " (cutoff:3.500A) removed outlier: 3.661A pdb=" N HIS D1719 " --> pdb=" O LEU D1715 " (cutoff:3.500A) Processing helix chain 'D' and resid 1720 through 1732 removed outlier: 4.381A pdb=" N SER D1732 " --> pdb=" O ARG D1728 " (cutoff:3.500A) Processing helix chain 'D' and resid 1739 through 1745 removed outlier: 4.311A pdb=" N ILE D1745 " --> pdb=" O GLU D1741 " (cutoff:3.500A) Processing helix chain 'D' and resid 1754 through 1759 removed outlier: 4.437A pdb=" N ARG D1759 " --> pdb=" O GLY D1755 " (cutoff:3.500A) Processing helix chain 'D' and resid 1803 through 1825 removed outlier: 3.826A pdb=" N LEU D1807 " --> pdb=" O PRO D1803 " (cutoff:3.500A) removed outlier: 3.943A pdb=" N ASP D1809 " --> pdb=" O GLU D1805 " (cutoff:3.500A) removed outlier: 3.939A pdb=" N LEU D1812 " --> pdb=" O ARG D1808 " (cutoff:3.500A) removed outlier: 3.663A pdb=" N VAL D1819 " --> pdb=" O LEU D1815 " (cutoff:3.500A) removed outlier: 3.865A pdb=" N ARG D1820 " --> pdb=" O GLY D1816 " (cutoff:3.500A) removed outlier: 3.987A pdb=" N GLN D1824 " --> pdb=" O ARG D1820 " (cutoff:3.500A) removed outlier: 4.567A pdb=" N HIS D1825 " --> pdb=" O ASP D1821 " (cutoff:3.500A) Processing helix chain 'D' and resid 1833 through 1852 Proline residue: D1840 - end of helix removed outlier: 3.531A pdb=" N MET D1851 " --> pdb=" O THR D1847 " (cutoff:3.500A) removed outlier: 3.574A pdb=" N GLY D1852 " --> pdb=" O LEU D1848 " (cutoff:3.500A) Processing helix chain 'D' and resid 1855 through 1865 removed outlier: 4.355A pdb=" N MET D1865 " --> pdb=" O GLN D1861 " (cutoff:3.500A) Processing helix chain 'D' and resid 1866 through 1871 removed outlier: 3.629A pdb=" N PHE D1871 " --> pdb=" O GLU D1867 " (cutoff:3.500A) Processing helix chain 'D' and resid 1934 through 1984 removed outlier: 4.173A pdb=" N GLN D1938 " --> pdb=" O SER D1934 " (cutoff:3.500A) removed outlier: 3.688A pdb=" N TYR D1945 " --> pdb=" O ASN D1941 " (cutoff:3.500A) removed outlier: 3.806A pdb=" N PHE D1946 " --> pdb=" O LEU D1942 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N GLU D1950 " --> pdb=" O PHE D1946 " (cutoff:3.500A) removed outlier: 3.823A pdb=" N LEU D1951 " --> pdb=" O CYS D1947 " (cutoff:3.500A) removed outlier: 3.650A pdb=" N GLU D1963 " --> pdb=" O ALA D1959 " (cutoff:3.500A) removed outlier: 3.852A pdb=" N ARG D1964 " --> pdb=" O ALA D1960 " (cutoff:3.500A) removed outlier: 3.613A pdb=" N SER D1975 " --> pdb=" O ALA D1971 " (cutoff:3.500A) removed outlier: 5.218A pdb=" N PHE D1984 " --> pdb=" O LEU D1980 " (cutoff:3.500A) Processing helix chain 'D' and resid 1987 through 1999 removed outlier: 4.143A pdb=" N ARG D1996 " --> pdb=" O ALA D1992 " (cutoff:3.500A) removed outlier: 4.760A pdb=" N GLU D1997 " --> pdb=" O ARG D1993 " (cutoff:3.500A) removed outlier: 3.568A pdb=" N PHE D1998 " --> pdb=" O ARG D1994 " (cutoff:3.500A) Processing helix chain 'D' and resid 2001 through 2015 removed outlier: 3.692A pdb=" N LEU D2009 " --> pdb=" O GLN D2005 " (cutoff:3.500A) removed outlier: 4.006A pdb=" N LEU D2010 " --> pdb=" O ILE D2006 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N HIS D2011 " --> pdb=" O ASN D2007 " (cutoff:3.500A) removed outlier: 3.691A pdb=" N PHE D2012 " --> pdb=" O MET D2008 " (cutoff:3.500A) removed outlier: 3.557A pdb=" N LYS D2013 " --> pdb=" O LEU D2009 " (cutoff:3.500A) removed outlier: 3.937A pdb=" N GLU D2015 " --> pdb=" O HIS D2011 " (cutoff:3.500A) Processing helix chain 'D' and resid 2027 through 2043 removed outlier: 4.808A pdb=" N LEU D2031 " --> pdb=" O ILE D2027 " (cutoff:3.500A) removed outlier: 3.841A pdb=" N GLN D2032 " --> pdb=" O ARG D2028 " (cutoff:3.500A) removed outlier: 4.619A pdb=" N GLY D2043 " --> pdb=" O LEU D2039 " (cutoff:3.500A) Processing helix chain 'D' and resid 2093 through 2109 removed outlier: 3.695A pdb=" N VAL D2103 " --> pdb=" O SER D2099 " (cutoff:3.500A) removed outlier: 4.077A pdb=" N ASP D2109 " --> pdb=" O TRP D2105 " (cutoff:3.500A) Processing helix chain 'D' and resid 2113 through 2130 removed outlier: 3.735A pdb=" N VAL D2117 " --> pdb=" O SER D2113 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N ARG D2126 " --> pdb=" O SER D2122 " (cutoff:3.500A) removed outlier: 3.789A 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: 5.688A pdb=" N TYR D2142 " --> pdb=" O LEU D2138 " (cutoff:3.500A) Processing helix chain 'D' and resid 2148 through 2169 removed outlier: 3.703A pdb=" N THR D2152 " --> pdb=" O SER D2148 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N SER D2154 " --> pdb=" O GLU D2150 " (cutoff:3.500A) removed outlier: 3.541A pdb=" N LEU D2155 " --> pdb=" O ASP D2151 " (cutoff:3.500A) removed outlier: 3.628A pdb=" N GLN D2161 " --> pdb=" O GLU D2157 " (cutoff:3.500A) removed outlier: 3.542A pdb=" N LEU D2166 " --> pdb=" O ILE D2162 " (cutoff:3.500A) removed outlier: 4.619A pdb=" N ILE D2167 " --> pdb=" O ARG D2163 " (cutoff:3.500A) removed outlier: 4.658A pdb=" N VAL D2168 " --> pdb=" O SER D2164 " (cutoff:3.500A) removed outlier: 5.466A pdb=" N GLN D2169 " --> pdb=" O LEU D2165 " (cutoff:3.500A) Processing helix chain 'D' and resid 2171 through 2188 removed outlier: 3.703A pdb=" N ASN D2176 " --> pdb=" O PRO D2172 " (cutoff:3.500A) removed outlier: 3.629A pdb=" N LEU D2177 " --> pdb=" O GLN D2173 " (cutoff:3.500A) removed outlier: 3.601A pdb=" N MET D2186 " --> pdb=" O ILE D2182 " (cutoff:3.500A) removed outlier: 4.333A pdb=" N ASN D2187 " --> pdb=" O GLY D2183 " (cutoff:3.500A) removed outlier: 4.826A pdb=" N ASN D2188 " --> pdb=" O ASN D2184 " (cutoff:3.500A) Processing helix chain 'D' and resid 2189 through 2195 removed outlier: 4.470A pdb=" N GLN D2193 " --> pdb=" O LYS D2189 " (cutoff:3.500A) removed outlier: 3.683A pdb=" N HIS D2194 " --> pdb=" O VAL D2190 " (cutoff:3.500A) Proline residue: D2195 - end of helix No H-bonds generated for 'chain 'D' and resid 2189 through 2195' Processing helix chain 'D' and resid 2196 through 2202 Processing helix chain 'D' and resid 2203 through 2216 removed outlier: 3.805A pdb=" N ASN D2213 " --> pdb=" O GLU D2209 " (cutoff:3.500A) removed outlier: 3.959A pdb=" N VAL D2214 " --> pdb=" O VAL D2210 " (cutoff:3.500A) removed outlier: 3.691A pdb=" N LEU D2215 " --> pdb=" O MET D2211 " (cutoff:3.500A) Processing helix chain 'D' and resid 2225 through 2244 removed outlier: 4.719A pdb=" N VAL D2229 " --> pdb=" O PHE D2225 " (cutoff:3.500A) removed outlier: 6.869A pdb=" N THR D2230 " --> pdb=" O PRO D2226 " (cutoff:3.500A) removed outlier: 4.222A pdb=" N SER D2231 " --> pdb=" O LYS D2227 " (cutoff:3.500A) removed outlier: 3.507A pdb=" N ILE D2242 " --> pdb=" O TYR D2238 " (cutoff:3.500A) removed outlier: 4.583A pdb=" N SER D2243 " --> pdb=" O PHE D2239 " (cutoff:3.500A) removed outlier: 5.177A pdb=" N ARG D2244 " --> pdb=" O CYS D2240 " (cutoff:3.500A) Processing helix chain 'D' and resid 2245 through 2255 removed outlier: 3.755A pdb=" N SER D2249 " --> pdb=" O GLN D2245 " (cutoff:3.500A) removed outlier: 3.785A pdb=" N ASP D2252 " --> pdb=" O ARG D2248 " (cutoff:3.500A) removed outlier: 4.813A pdb=" N HIS D2253 " --> pdb=" O SER D2249 " (cutoff:3.500A) removed outlier: 4.426A pdb=" N LEU D2254 " --> pdb=" O MET D2250 " (cutoff:3.500A) removed outlier: 5.161A pdb=" N SER D2255 " --> pdb=" O PHE D2251 " (cutoff:3.500A) Processing helix chain 'D' and resid 2256 through 2265 removed outlier: 3.614A pdb=" N ASN D2260 " --> pdb=" O TYR D2256 " (cutoff:3.500A) removed outlier: 4.413A pdb=" N GLY D2262 " --> pdb=" O LEU D2258 " (cutoff:3.500A) removed outlier: 4.915A pdb=" N ILE D2263 " --> pdb=" O GLU D2259 " (cutoff:3.500A) removed outlier: 3.712A pdb=" N GLY D2264 " --> pdb=" O ASN D2260 " (cutoff:3.500A) removed outlier: 4.270A pdb=" N LEU D2265 " --> pdb=" O SER D2261 " (cutoff:3.500A) Processing helix chain 'D' and resid 2271 through 2282 removed outlier: 3.740A pdb=" N VAL D2275 " --> pdb=" O THR D2271 " (cutoff:3.500A) removed outlier: 3.852A pdb=" N ALA D2276 " --> pdb=" O PRO D2272 " (cutoff:3.500A) removed outlier: 4.019A pdb=" N VAL D2280 " --> pdb=" O ALA D2276 " (cutoff:3.500A) removed outlier: 4.098A pdb=" N ILE D2281 " --> pdb=" O ALA D2277 " (cutoff:3.500A) removed outlier: 5.347A pdb=" N ASP D2282 " --> pdb=" O ALA D2278 " (cutoff:3.500A) Processing helix chain 'D' and resid 2286 through 2291 removed outlier: 3.595A pdb=" N LEU D2290 " --> pdb=" O LEU D2286 " (cutoff:3.500A) removed outlier: 4.531A pdb=" N GLN D2291 " --> pdb=" O ALA D2287 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 2286 through 2291' Processing helix chain 'D' and resid 2294 through 2309 removed outlier: 3.624A pdb=" N VAL D2299 " --> pdb=" O LEU D2295 " (cutoff:3.500A) removed outlier: 4.143A pdb=" N SER D2300 " --> pdb=" O GLU D2296 " (cutoff:3.500A) removed outlier: 3.625A pdb=" N TYR D2301 " --> pdb=" O LYS D2297 " (cutoff:3.500A) removed outlier: 3.758A pdb=" N LEU D2302 " --> pdb=" O VAL D2298 " (cutoff:3.500A) removed outlier: 3.671A pdb=" N LEU D2307 " --> pdb=" O ALA D2303 " (cutoff:3.500A) removed outlier: 5.087A pdb=" N SER D2309 " --> pdb=" O CYS D2305 " (cutoff:3.500A) Processing helix chain 'D' and resid 2310 through 2315 removed outlier: 3.687A pdb=" N LEU D2314 " --> pdb=" O CYS D2310 " (cutoff:3.500A) Processing helix chain 'D' and resid 2324 through 2340 removed outlier: 3.501A pdb=" N GLY D2328 " --> pdb=" O ASN D2324 " (cutoff:3.500A) removed outlier: 3.568A pdb=" N ARG D2330 " --> pdb=" O CYS D2326 " (cutoff:3.500A) removed outlier: 3.531A pdb=" N TYR D2331 " --> pdb=" O GLY D2327 " (cutoff:3.500A) removed outlier: 4.509A pdb=" N LEU D2332 " --> pdb=" O GLY D2328 " (cutoff:3.500A) removed outlier: 5.142A pdb=" N ASP D2333 " --> pdb=" O GLU D2329 " (cutoff:3.500A) removed outlier: 5.112A pdb=" N PHE D2334 " --> pdb=" O ARG D2330 " (cutoff:3.500A) removed outlier: 6.557A pdb=" N LEU D2335 " --> pdb=" O TYR D2331 " (cutoff:3.500A) removed outlier: 3.536A pdb=" N PHE D2337 " --> pdb=" O ASP D2333 " (cutoff:3.500A) Processing helix chain 'D' and resid 2346 through 2361 removed outlier: 3.906A pdb=" N VAL D2352 " --> pdb=" O GLU D2348 " (cutoff:3.500A) removed outlier: 3.777A pdb=" N ARG D2359 " --> pdb=" O ARG D2355 " (cutoff:3.500A) removed outlier: 4.466A 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 Proline residue: D2390 - end of helix Processing helix chain 'D' and resid 2417 through 2438 Proline residue: D2438 - end of helix Processing helix chain 'D' and resid 2440 through 2447 removed outlier: 3.634A pdb=" N GLY D2446 " --> pdb=" O LEU D2442 " (cutoff:3.500A) Processing helix chain 'D' and resid 2448 through 2462 removed outlier: 4.154A pdb=" N ARG D2452 " --> pdb=" O GLY D2448 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N ILE D2453 " --> pdb=" O GLU D2449 " (cutoff:3.500A) Proline residue: D2462 - end of helix Processing helix chain 'D' and resid 2464 through 2472 removed outlier: 3.946A pdb=" N GLY D2468 " --> pdb=" O ASP D2464 " (cutoff:3.500A) removed outlier: 3.521A pdb=" N ILE D2469 " --> pdb=" O ASP D2465 " (cutoff:3.500A) removed outlier: 3.558A pdb=" N SER D2471 " --> pdb=" O VAL D2467 " (cutoff:3.500A) removed outlier: 3.631A pdb=" N LEU D2472 " --> pdb=" O GLY D2468 " (cutoff:3.500A) Processing helix chain 'D' and resid 2751 through 2774 removed outlier: 4.423A pdb=" N ILE D2755 " --> pdb=" O LEU D2751 " (cutoff:3.500A) removed outlier: 3.659A pdb=" N PHE D2758 " --> pdb=" O PHE D2754 " (cutoff:3.500A) removed outlier: 4.088A pdb=" N ALA D2759 " --> pdb=" O ILE D2755 " (cutoff:3.500A) removed outlier: 3.767A pdb=" N THR D2762 " --> pdb=" O PHE D2758 " (cutoff:3.500A) removed outlier: 4.404A pdb=" N HIS D2763 " --> pdb=" O ALA D2759 " (cutoff:3.500A) removed outlier: 5.030A pdb=" N GLU D2764 " --> pdb=" O GLU D2760 " (cutoff:3.500A) removed outlier: 4.837A pdb=" N LYS D2765 " --> pdb=" O TYR D2761 " (cutoff:3.500A) removed outlier: 4.302A pdb=" N TRP D2766 " --> pdb=" O THR D2762 " (cutoff:3.500A) removed outlier: 4.446A pdb=" N ALA D2767 " --> pdb=" O HIS D2763 " (cutoff:3.500A) removed outlier: 4.033A pdb=" N PHE D2768 " --> pdb=" O GLU D2764 " (cutoff:3.500A) removed outlier: 4.694A pdb=" N ASP D2769 " --> pdb=" O LYS D2765 " (cutoff:3.500A) removed outlier: 5.459A pdb=" N LYS D2770 " --> pdb=" O TRP D2766 " (cutoff:3.500A) removed outlier: 5.467A pdb=" N ILE D2771 " --> pdb=" O ALA D2767 " (cutoff:3.500A) removed outlier: 3.889A pdb=" N GLN D2772 " --> pdb=" O PHE D2768 " (cutoff:3.500A) removed outlier: 3.933A pdb=" N ASN D2773 " --> pdb=" O ASP D2769 " (cutoff:3.500A) Processing helix chain 'D' and resid 2798 through 2804 removed outlier: 4.916A pdb=" N LYS D2802 " --> pdb=" O SER D2798 " (cutoff:3.500A) Processing helix chain 'D' and resid 2872 through 2896 removed outlier: 5.290A pdb=" N GLU D2876 " --> pdb=" O GLN D2872 " (cutoff:3.500A) removed outlier: 4.124A pdb=" N GLN D2877 " --> pdb=" O ALA D2873 " (cutoff:3.500A) removed outlier: 4.478A pdb=" N ALA D2879 " --> pdb=" O ALA D2875 " (cutoff:3.500A) removed outlier: 4.568A pdb=" N ASN D2881 " --> pdb=" O GLN D2877 " (cutoff:3.500A) removed outlier: 5.223A pdb=" N TYR D2882 " --> pdb=" O LEU D2878 " (cutoff:3.500A) removed outlier: 3.996A pdb=" N LYS D2890 " --> pdb=" O TRP D2886 " (cutoff:3.500A) removed outlier: 5.215A pdb=" N LYS D2891 " --> pdb=" O GLY D2887 " (cutoff:3.500A) removed outlier: 4.831A pdb=" N GLN D2892 " --> pdb=" O ARG D2888 " (cutoff:3.500A) removed outlier: 5.490A pdb=" N GLU D2893 " --> pdb=" O LYS D2889 " (cutoff:3.500A) removed outlier: 5.830A pdb=" N LEU D2894 " --> pdb=" O LYS D2890 " (cutoff:3.500A) removed outlier: 5.266A pdb=" N ALA D2896 " --> pdb=" O GLN D2892 " (cutoff:3.500A) Processing helix chain 'D' and resid 2919 through 2930 removed outlier: 4.246A pdb=" N ALA D2923 " --> pdb=" O ASP D2919 " (cutoff:3.500A) removed outlier: 3.985A pdb=" N GLU D2925 " --> pdb=" O GLU D2921 " (cutoff:3.500A) removed outlier: 4.509A pdb=" N LYS D2928 " --> pdb=" O GLN D2924 " (cutoff:3.500A) removed outlier: 4.089A pdb=" N PHE D2929 " --> pdb=" O GLU D2925 " (cutoff:3.500A) removed outlier: 4.118A pdb=" N LEU D2930 " --> pdb=" O LEU D2926 " (cutoff:3.500A) Processing helix chain 'D' and resid 3645 through 3657 removed outlier: 3.668A pdb=" N LEU D3654 " --> pdb=" O CYS D3650 " (cutoff:3.500A) removed outlier: 4.185A pdb=" N GLU D3655 " --> pdb=" O ASN D3651 " (cutoff:3.500A) removed outlier: 4.588A pdb=" N SER D3656 " --> pdb=" O MET D3652 " (cutoff:3.500A) removed outlier: 5.351A pdb=" N TYR D3657 " --> pdb=" O PHE D3653 " (cutoff:3.500A) Processing helix chain 'D' and resid 3668 through 3683 removed outlier: 5.688A pdb=" N ALA D3680 " --> pdb=" O ASP D3676 " (cutoff:3.500A) removed outlier: 7.083A pdb=" N GLY D3681 " --> pdb=" O LEU D3677 " (cutoff:3.500A) removed outlier: 4.437A pdb=" N GLU D3682 " --> pdb=" O SER D3678 " (cutoff:3.500A) Processing helix chain 'D' and resid 3696 through 3712 removed outlier: 5.667A pdb=" N GLU D3712 " --> pdb=" O THR D3708 " (cutoff:3.500A) Processing helix chain 'D' and resid 3719 through 3736 removed outlier: 3.516A pdb=" N MET D3723 " --> pdb=" O ASP D3719 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ASP D3727 " --> pdb=" O MET D3723 " (cutoff:3.500A) removed outlier: 3.583A pdb=" N SER D3732 " --> pdb=" O ILE D3728 " (cutoff:3.500A) removed outlier: 3.840A pdb=" N CYS D3733 " --> pdb=" O MET D3729 " (cutoff:3.500A) removed outlier: 4.254A pdb=" N GLU D3736 " --> pdb=" O SER D3732 " (cutoff:3.500A) Processing helix chain 'D' and resid 3752 through 3761 Processing helix chain 'D' and resid 3764 through 3771 removed outlier: 4.829A pdb=" N SER D3768 " --> pdb=" O LEU D3764 " (cutoff:3.500A) removed outlier: 4.481A pdb=" N HIS D3771 " --> pdb=" O GLN D3767 " (cutoff:3.500A) Processing helix chain 'D' and resid 3772 through 3787 removed outlier: 3.580A pdb=" N ALA D3776 " --> pdb=" O THR D3772 " (cutoff:3.500A) removed outlier: 4.969A pdb=" N GLU D3777 " --> pdb=" O ARG D3773 " (cutoff:3.500A) removed outlier: 3.625A pdb=" N MET D3778 " --> pdb=" O GLY D3774 " (cutoff:3.500A) removed outlier: 3.518A pdb=" N LEU D3780 " --> pdb=" O ALA D3776 " (cutoff:3.500A) removed outlier: 4.085A pdb=" N CYS D3786 " --> pdb=" O MET D3782 " (cutoff:3.500A) removed outlier: 5.363A pdb=" N LYS D3787 " --> pdb=" O ILE D3783 " (cutoff:3.500A) Processing helix chain 'D' and resid 3791 through 3806 removed outlier: 3.935A pdb=" N LEU D3805 " --> pdb=" O GLY D3801 " (cutoff:3.500A) Processing helix chain 'D' and resid 3809 through 3824 removed outlier: 3.594A pdb=" N TYR D3819 " --> pdb=" O LYS D3815 " (cutoff:3.500A) Processing helix chain 'D' and resid 3826 through 3839 removed outlier: 7.087A pdb=" N GLN D3830 " --> pdb=" O VAL D3826 " (cutoff:3.500A) removed outlier: 3.514A pdb=" N THR D3838 " --> pdb=" O ALA D3834 " (cutoff:3.500A) removed outlier: 4.335A pdb=" N CYS D3839 " --> pdb=" O LEU D3835 " (cutoff:3.500A) Processing helix chain 'D' and resid 3843 through 3858 removed outlier: 3.659A pdb=" N GLY D3855 " --> pdb=" O ASN D3851 " (cutoff:3.500A) removed outlier: 4.419A pdb=" N LEU D3856 " --> pdb=" O LYS D3852 " (cutoff:3.500A) removed outlier: 4.525A pdb=" N GLY D3857 " --> pdb=" O ALA D3853 " (cutoff:3.500A) removed outlier: 5.582A pdb=" N MET D3858 " --> pdb=" O GLU D3854 " (cutoff:3.500A) Processing helix chain 'D' and resid 3877 through 3893 removed outlier: 3.844A pdb=" N ASP D3883 " --> pdb=" O GLU D3879 " (cutoff:3.500A) removed outlier: 4.326A pdb=" N CYS D3892 " --> pdb=" O LEU D3888 " (cutoff:3.500A) removed outlier: 3.597A pdb=" N GLU D3893 " --> pdb=" O GLN D3889 " (cutoff:3.500A) Processing helix chain 'D' and resid 3896 through 3905 removed outlier: 6.438A pdb=" N GLN D3900 " --> pdb=" O ASN D3896 " (cutoff:3.500A) removed outlier: 4.134A pdb=" N ASN D3901 " --> pdb=" O ASN D3897 " (cutoff:3.500A) removed outlier: 3.650A pdb=" N ARG D3904 " --> pdb=" O GLN D3900 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N THR D3905 " --> pdb=" O ASN D3901 " (cutoff:3.500A) Processing helix chain 'D' and resid 3914 through 3939 removed outlier: 3.597A pdb=" N CYS D3918 " --> pdb=" O ASN D3914 " (cutoff:3.500A) removed outlier: 3.537A pdb=" N TRP D3935 " --> pdb=" O SER D3931 " (cutoff:3.500A) removed outlier: 3.733A pdb=" N TYR D3936 " --> pdb=" O ASP D3932 " (cutoff:3.500A) removed outlier: 3.759A pdb=" N TYR D3937 " --> pdb=" O PHE D3933 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N GLY D3939 " --> pdb=" O TRP D3935 " (cutoff:3.500A) Processing helix chain 'D' and resid 3944 through 3970 removed outlier: 3.694A pdb=" N LYS D3953 " --> pdb=" O ARG D3949 " (cutoff:3.500A) removed outlier: 4.152A pdb=" N ALA D3954 " --> pdb=" O ASN D3950 " (cutoff:3.500A) removed outlier: 4.042A pdb=" N MET D3955 " --> pdb=" O PHE D3951 " (cutoff:3.500A) removed outlier: 3.942A pdb=" N SER D3956 " --> pdb=" O SER D3952 " (cutoff:3.500A) removed outlier: 3.754A pdb=" N VAL D3957 " --> pdb=" O LYS D3953 " (cutoff:3.500A) removed outlier: 3.973A pdb=" N GLU D3967 " --> pdb=" O ASN D3963 " (cutoff:3.500A) removed outlier: 3.886A pdb=" N TYR D3968 " --> pdb=" O SER D3964 " (cutoff:3.500A) removed outlier: 3.882A pdb=" N ILE D3969 " --> pdb=" O LEU D3965 " (cutoff:3.500A) Processing helix chain 'D' and resid 3973 through 3984 removed outlier: 5.112A pdb=" N ARG D3984 " --> pdb=" O LEU D3980 " (cutoff:3.500A) Processing helix chain 'D' and resid 3985 through 4006 removed outlier: 3.524A pdb=" N HIS D3998 " --> pdb=" O HIS D3994 " (cutoff:3.500A) removed outlier: 3.680A pdb=" N MET D4001 " --> pdb=" O ALA D3997 " (cutoff:3.500A) removed outlier: 4.294A pdb=" N GLN D4005 " --> pdb=" O MET D4001 " (cutoff:3.500A) removed outlier: 4.762A pdb=" N ASP D4006 " --> pdb=" O LYS D4002 " (cutoff:3.500A) Processing helix chain 'D' and resid 4009 through 4032 removed outlier: 3.605A pdb=" N LEU D4013 " --> pdb=" O GLN D4009 " (cutoff:3.500A) removed outlier: 3.721A pdb=" N LEU D4030 " --> pdb=" O MET D4026 " (cutoff:3.500A) removed outlier: 4.418A pdb=" N LEU D4031 " --> pdb=" O LEU D4027 " (cutoff:3.500A) removed outlier: 4.420A pdb=" N GLU D4032 " --> pdb=" O LEU D4028 " (cutoff:3.500A) Processing helix chain 'D' and resid 4038 through 4052 removed outlier: 6.323A pdb=" N ARG D4042 " --> pdb=" O GLY D4038 " (cutoff:3.500A) removed outlier: 4.266A pdb=" N GLN D4043 " --> pdb=" O MET D4039 " (cutoff:3.500A) Processing helix chain 'D' and resid 4053 through 4072 removed outlier: 3.860A pdb=" N MET D4057 " --> pdb=" O SER D4053 " (cutoff:3.500A) removed outlier: 3.624A pdb=" N PHE D4065 " --> pdb=" O PHE D4061 " (cutoff:3.500A) removed outlier: 3.761A pdb=" N LYS D4069 " --> pdb=" O PHE D4065 " (cutoff:3.500A) removed outlier: 4.290A pdb=" N ASP D4070 " --> pdb=" O LEU D4066 " (cutoff:3.500A) removed outlier: 3.664A pdb=" N ILE D4071 " --> pdb=" O LYS D4067 " (cutoff:3.500A) Processing helix chain 'D' and resid 4074 through 4081 removed outlier: 5.024A pdb=" N TYR D4080 " --> pdb=" O ALA D4076 " (cutoff:3.500A) removed outlier: 4.406A pdb=" N VAL D4081 " --> pdb=" O PHE D4077 " (cutoff:3.500A) Processing helix chain 'D' and resid 4090 through 4101 removed outlier: 3.715A pdb=" N GLN D4094 " --> pdb=" O LYS D4090 " (cutoff:3.500A) removed outlier: 4.231A pdb=" N LYS D4095 " --> pdb=" O LYS D4091 " (cutoff:3.500A) removed outlier: 3.660A pdb=" N GLN D4100 " --> pdb=" O ALA D4096 " (cutoff:3.500A) removed outlier: 4.609A pdb=" N LYS D4101 " --> pdb=" O MET D4097 " (cutoff:3.500A) Processing helix chain 'D' and resid 4104 through 4116 removed outlier: 3.826A pdb=" N ILE D4108 " --> pdb=" O THR D4104 " (cutoff:3.500A) removed outlier: 4.031A pdb=" N GLN D4109 " --> pdb=" O GLY D4105 " (cutoff:3.500A) removed outlier: 4.871A pdb=" N GLU D4116 " --> pdb=" O LEU D4112 " (cutoff:3.500A) Processing helix chain 'D' and resid 4124 through 4137 removed outlier: 5.337A pdb=" N PHE D4132 " --> pdb=" O PHE D4128 " (cutoff:3.500A) removed outlier: 4.856A pdb=" N GLN D4133 " --> pdb=" O ALA D4129 " (cutoff:3.500A) removed outlier: 4.351A pdb=" N GLU D4134 " --> pdb=" O ASN D4130 " (cutoff:3.500A) Proline residue: D4135 - end of helix Processing helix chain 'D' and resid 4138 through 4154 Processing helix chain 'D' and resid 4157 through 4168 removed outlier: 4.187A pdb=" N PHE D4163 " --> pdb=" O ARG D4159 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N LEU D4164 " --> pdb=" O LEU D4160 " (cutoff:3.500A) removed outlier: 4.255A pdb=" N GLU D4165 " --> pdb=" O ARG D4161 " (cutoff:3.500A) removed outlier: 3.656A pdb=" N LEU D4166 " --> pdb=" O ASN D4162 " (cutoff:3.500A) Processing helix chain 'D' and resid 4169 through 4175 Processing helix chain 'D' and resid 4198 through 4207 removed outlier: 4.073A pdb=" N ARG D4202 " --> pdb=" O SER D4198 " (cutoff:3.500A) removed outlier: 3.611A pdb=" N GLN D4204 " --> pdb=" O THR D4200 " (cutoff:3.500A) removed outlier: 4.684A pdb=" N MET D4207 " --> pdb=" O ALA D4203 " (cutoff:3.500A) Processing helix chain 'D' and resid 4208 through 4224 removed outlier: 3.540A pdb=" N ASN D4223 " --> pdb=" O PHE D4219 " (cutoff:3.500A) Processing helix chain 'D' and resid 4229 through 4252 removed outlier: 4.174A pdb=" N SER D4252 " --> pdb=" O ALA D4248 " (cutoff:3.500A) Processing helix chain 'D' and resid 4543 through 4559 removed outlier: 4.603A pdb=" N GLN D4547 " --> pdb=" O GLU D4543 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N ARG D4557 " --> pdb=" O ASN D4553 " (cutoff:3.500A) removed outlier: 3.971A pdb=" N ASN D4558 " --> pdb=" O TYR D4554 " (cutoff:3.500A) removed outlier: 3.710A pdb=" N PHE D4559 " --> pdb=" O LEU D4555 " (cutoff:3.500A) Processing helix chain 'D' and resid 4560 through 4579 removed outlier: 4.225A pdb=" N PHE D4579 " --> pdb=" O PHE D4575 " (cutoff:3.500A) Processing helix chain 'D' and resid 4643 through 4684 removed outlier: 3.583A pdb=" N THR D4651 " --> pdb=" O SER D4647 " (cutoff:3.500A) removed outlier: 3.648A pdb=" N ILE D4658 " --> pdb=" O ALA D4654 " (cutoff:3.500A) removed outlier: 3.555A pdb=" N ILE D4659 " --> pdb=" O PHE D4655 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N CYS D4663 " --> pdb=" O ILE D4659 " (cutoff:3.500A) removed outlier: 3.698A pdb=" N VAL D4666 " --> pdb=" O ASN D4662 " (cutoff:3.500A) Proline residue: D4667 - end of helix removed outlier: 3.569A pdb=" N ASP D4684 " --> pdb=" O LYS D4680 " (cutoff:3.500A) Processing helix chain 'D' and resid 4696 through 4707 removed outlier: 3.584A pdb=" N ARG D4703 " --> pdb=" O GLY D4699 " (cutoff:3.500A) removed outlier: 4.496A pdb=" N LEU D4704 " --> pdb=" O GLN D4700 " (cutoff:3.500A) removed outlier: 4.655A pdb=" N VAL D4705 " --> pdb=" O TRP D4701 " (cutoff:3.500A) removed outlier: 3.947A pdb=" N LEU D4706 " --> pdb=" O ASP D4702 " (cutoff:3.500A) removed outlier: 4.987A pdb=" N ASN D4707 " --> pdb=" O ARG D4703 " (cutoff:3.500A) Processing helix chain 'D' and resid 4719 through 4729 removed outlier: 3.505A pdb=" N LEU D4725 " --> pdb=" O LYS D4721 " (cutoff:3.500A) Processing helix chain 'D' and resid 4733 through 4742 removed outlier: 4.424A pdb=" N GLY D4742 " --> pdb=" O ALA D4738 " (cutoff:3.500A) Processing helix chain 'D' and resid 4749 through 4754 Processing helix chain 'D' and resid 4766 through 4771 removed outlier: 4.265A pdb=" N SER D4770 " --> pdb=" O THR D4766 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N ILE D4771 " --> pdb=" O TRP D4767 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 4766 through 4771' Processing helix chain 'D' and resid 4772 through 4786 removed outlier: 3.982A pdb=" N ASP D4786 " --> pdb=" O VAL D4782 " (cutoff:3.500A) Processing helix chain 'D' and resid 4787 through 4803 removed outlier: 4.180A pdb=" N HIS D4803 " --> pdb=" O SER D4799 " (cutoff:3.500A) Processing helix chain 'D' and resid 4807 through 4820 removed outlier: 4.586A pdb=" N ALA D4811 " --> pdb=" O PHE D4807 " (cutoff:3.500A) removed outlier: 4.660A pdb=" N HIS D4812 " --> pdb=" O PHE D4808 " (cutoff:3.500A) removed outlier: 4.583A pdb=" N LEU D4813 " --> pdb=" O PHE D4809 " (cutoff:3.500A) removed outlier: 4.629A pdb=" N LEU D4814 " --> pdb=" O ALA D4810 " (cutoff:3.500A) removed outlier: 3.908A pdb=" N ASP D4815 " --> pdb=" O ALA D4811 " (cutoff:3.500A) removed outlier: 3.933A pdb=" N MET D4818 " --> pdb=" O LEU D4814 " (cutoff:3.500A) removed outlier: 4.735A pdb=" N GLY D4819 " --> pdb=" O ASP D4815 " (cutoff:3.500A) removed outlier: 4.797A pdb=" N VAL D4820 " --> pdb=" O ILE D4816 " (cutoff:3.500A) Processing helix chain 'D' and resid 4821 through 4832 removed outlier: 3.821A pdb=" N THR D4825 " --> pdb=" O LYS D4821 " (cutoff:3.500A) removed outlier: 3.586A pdb=" N ILE D4826 " --> pdb=" O THR D4822 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N SER D4829 " --> pdb=" O THR D4825 " (cutoff:3.500A) removed outlier: 4.256A pdb=" N VAL D4830 " --> pdb=" O ILE D4826 " (cutoff:3.500A) Processing helix chain 'D' and resid 4833 through 4858 Processing helix chain 'D' and resid 4878 through 4893 removed outlier: 4.353A pdb=" N VAL D4891 " --> pdb=" O MET D4887 " (cutoff:3.500A) removed outlier: 5.180A pdb=" N ARG D4892 " --> pdb=" O TYR D4888 " (cutoff:3.500A) Processing helix chain 'D' and resid 4897 through 4902 removed outlier: 3.776A pdb=" N ILE D4901 " --> pdb=" O ILE D4897 " (cutoff:3.500A) removed outlier: 5.507A pdb=" N GLU D4902 " --> pdb=" O GLY D4898 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 4897 through 4902' Processing helix chain 'D' and resid 4909 through 4924 removed outlier: 6.249A pdb=" N VAL D4914 " --> pdb=" O GLU D4910 " (cutoff:3.500A) removed outlier: 4.432A pdb=" N VAL D4915 " --> pdb=" O LEU D4911 " (cutoff:3.500A) Processing helix chain 'D' and resid 4928 through 4957 removed outlier: 3.640A pdb=" N ILE D4936 " --> pdb=" O ILE D4932 " (cutoff:3.500A) removed outlier: 3.770A pdb=" N PHE D4940 " --> pdb=" O ILE D4936 " (cutoff:3.500A) removed outlier: 3.832A pdb=" N GLY D4941 " --> pdb=" O ILE D4937 " (cutoff:3.500A) removed outlier: 3.712A pdb=" N VAL D4950 " --> pdb=" O GLN D4946 " (cutoff:3.500A) removed outlier: 3.615A pdb=" N LYS D4951 " --> pdb=" O GLN D4947 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N GLU D4955 " --> pdb=" O LYS D4951 " (cutoff:3.500A) Processing helix chain 'D' and resid 4964 through 4970 removed outlier: 3.858A pdb=" N PHE D4968 " --> pdb=" O GLY D4964 " (cutoff:3.500A) removed outlier: 3.823A 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 4998 removed outlier: 6.250A pdb=" N TYR D4988 " --> pdb=" O ASN D4984 " (cutoff:3.500A) removed outlier: 4.722A pdb=" N MET D4989 " --> pdb=" O LEU D4985 " (cutoff:3.500A) Processing helix chain 'D' and resid 5004 through 5017 removed outlier: 3.667A pdb=" N GLU D5016 " --> pdb=" O LYS D5012 " (cutoff:3.500A) Processing helix chain 'D' and resid 5027 through 5033 removed outlier: 6.431A pdb=" N GLN D5031 " --> pdb=" O CYS D5027 " (cutoff:3.500A) removed outlier: 4.046A pdb=" N TYR D5032 " --> pdb=" O PHE D5028 " (cutoff:3.500A) removed outlier: 3.509A pdb=" N GLU D5033 " --> pdb=" O ARG D5029 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 5027 through 5033' Processing helix chain 'D' and resid 3865 through 3870 removed outlier: 5.590A pdb=" N ARG D3868 " --> pdb=" O VAL D3865 " (cutoff:3.500A) removed outlier: 4.646A pdb=" N ASN D3870 " --> pdb=" O ASN D3867 " (cutoff:3.500A) Processing helix chain 'D' and resid 4685 through 4690 removed outlier: 3.762A pdb=" N GLU D4690 " --> pdb=" O GLY D4685 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 4685 through 4690' Processing helix chain 'B' and resid 61 through 66 removed outlier: 4.454A pdb=" N CYS B 65 " --> pdb=" O ASP B 61 " (cutoff:3.500A) Processing helix chain 'B' and resid 74 through 84 removed outlier: 3.639A pdb=" N GLU B 80 " --> pdb=" O ARG B 76 " (cutoff:3.500A) Processing helix chain 'B' and resid 251 through 256 removed outlier: 4.839A pdb=" N HIS B 255 " --> pdb=" O ALA B 251 " (cutoff:3.500A) removed outlier: 5.717A 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: 6.212A pdb=" N THR B 312 " --> pdb=" O HIS B 308 " (cutoff:3.500A) removed outlier: 4.665A pdb=" N SER B 313 " --> pdb=" O THR B 309 " (cutoff:3.500A) No H-bonds generated for 'chain 'B' and resid 308 through 313' Processing helix chain 'B' and resid 364 through 371 removed outlier: 3.680A pdb=" N LEU B 369 " --> pdb=" O LYS B 365 " (cutoff:3.500A) removed outlier: 3.827A pdb=" N GLY B 370 " --> pdb=" O ALA B 366 " (cutoff:3.500A) removed outlier: 5.727A pdb=" N VAL B 371 " --> pdb=" O LEU B 367 " (cutoff:3.500A) Processing helix chain 'B' and resid 396 through 423 removed outlier: 3.783A pdb=" N ASP B 419 " --> pdb=" O ILE B 415 " (cutoff:3.500A) removed outlier: 4.175A pdb=" N SER B 420 " --> pdb=" O LYS B 416 " (cutoff:3.500A) removed outlier: 5.123A pdb=" N PHE B 421 " --> pdb=" O GLY B 417 " (cutoff:3.500A) removed outlier: 4.542A pdb=" N SER B 422 " --> pdb=" O LEU B 418 " (cutoff:3.500A) removed outlier: 5.106A pdb=" N GLY B 423 " --> pdb=" O ASP B 419 " (cutoff:3.500A) Processing helix chain 'B' and resid 437 through 453 removed outlier: 4.101A pdb=" N VAL B 441 " --> pdb=" O PRO B 437 " (cutoff:3.500A) removed outlier: 3.956A pdb=" N ILE B 442 " --> pdb=" O ILE B 438 " (cutoff:3.500A) removed outlier: 3.649A pdb=" N LEU B 443 " --> pdb=" O GLU B 439 " (cutoff:3.500A) removed outlier: 3.518A pdb=" N PHE B 452 " --> pdb=" O LEU B 448 " (cutoff:3.500A) removed outlier: 3.814A pdb=" N GLU B 453 " --> pdb=" O ILE B 449 " (cutoff:3.500A) Processing helix chain 'B' and resid 460 through 482 removed outlier: 4.167A pdb=" N SER B 466 " --> pdb=" O GLU B 462 " (cutoff:3.500A) removed outlier: 3.526A pdb=" N GLN B 479 " --> pdb=" O GLN B 475 " (cutoff:3.500A) removed outlier: 3.884A pdb=" N GLU B 480 " --> pdb=" O SER B 476 " (cutoff:3.500A) removed outlier: 4.338A pdb=" N GLU B 481 " --> pdb=" O LEU B 477 " (cutoff:3.500A) removed outlier: 4.446A pdb=" N GLY B 482 " --> pdb=" O PHE B 478 " (cutoff:3.500A) Processing helix chain 'B' and resid 483 through 496 removed outlier: 4.508A pdb=" N VAL B 487 " --> pdb=" O MET B 483 " (cutoff:3.500A) removed outlier: 3.946A pdb=" N CYS B 490 " --> pdb=" O LEU B 486 " (cutoff:3.500A) removed outlier: 3.998A pdb=" N VAL B 496 " --> pdb=" O ASP B 492 " (cutoff:3.500A) Processing helix chain 'B' and resid 512 through 531 removed outlier: 4.282A pdb=" N LYS B 516 " --> pdb=" O ALA B 512 " (cutoff:3.500A) removed outlier: 4.688A pdb=" N GLU B 517 " --> pdb=" O GLU B 513 " (cutoff:3.500A) removed outlier: 3.514A pdb=" N TYR B 523 " --> pdb=" O VAL B 519 " (cutoff:3.500A) removed outlier: 3.570A pdb=" N GLU B 524 " --> pdb=" O ASN B 520 " (cutoff:3.500A) Processing helix chain 'B' and resid 533 through 541 removed outlier: 3.583A pdb=" N CYS B 537 " --> pdb=" O ASN B 533 " (cutoff:3.500A) removed outlier: 3.543A pdb=" N ALA B 538 " --> pdb=" O ARG B 534 " (cutoff:3.500A) removed outlier: 4.346A pdb=" N LEU B 539 " --> pdb=" O ALA B 535 " (cutoff:3.500A) removed outlier: 4.879A pdb=" N PHE B 540 " --> pdb=" O ASN B 536 " (cutoff:3.500A) removed outlier: 5.402A pdb=" N SER B 541 " --> pdb=" O CYS B 537 " (cutoff:3.500A) No H-bonds generated for 'chain 'B' and resid 533 through 541' Processing helix chain 'B' and resid 543 through 551 removed outlier: 3.971A pdb=" N LYS B 550 " --> pdb=" O TRP B 546 " (cutoff:3.500A) removed outlier: 4.897A pdb=" N LEU B 551 " --> pdb=" O VAL B 547 " (cutoff:3.500A) Processing helix chain 'B' and resid 556 through 571 removed outlier: 3.689A pdb=" N ILE B 560 " --> pdb=" O ALA B 556 " (cutoff:3.500A) removed outlier: 3.702A pdb=" N LEU B 561 " --> pdb=" O SER B 557 " (cutoff:3.500A) removed outlier: 3.638A pdb=" N VAL B 567 " --> pdb=" O VAL B 563 " (cutoff:3.500A) removed outlier: 3.664A pdb=" N LEU B 568 " --> pdb=" O LEU B 564 " (cutoff:3.500A) removed outlier: 4.014A pdb=" N ILE B 569 " --> pdb=" O TYR B 565 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N GLU B 570 " --> pdb=" O CYS B 566 " (cutoff:3.500A) Processing helix chain 'B' and resid 572 through 578 removed outlier: 4.361A pdb=" N ASN B 576 " --> pdb=" O PRO B 572 " (cutoff:3.500A) removed outlier: 4.362A pdb=" N ILE B 577 " --> pdb=" O GLU B 573 " (cutoff:3.500A) removed outlier: 3.969A pdb=" N ILE B 578 " --> pdb=" O VAL B 574 " (cutoff:3.500A) No H-bonds generated for 'chain 'B' and resid 572 through 578' Processing helix chain 'B' and resid 579 through 594 removed outlier: 3.666A pdb=" N LEU B 590 " --> pdb=" O ILE B 586 " (cutoff:3.500A) removed outlier: 3.696A pdb=" N ASP B 591 " --> pdb=" O ILE B 587 " (cutoff:3.500A) Processing helix chain 'B' and resid 596 through 609 removed outlier: 4.131A pdb=" N LEU B 600 " --> pdb=" O ASN B 596 " (cutoff:3.500A) removed outlier: 3.770A pdb=" N ASP B 601 " --> pdb=" O HIS B 597 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N LEU B 606 " --> pdb=" O VAL B 602 " (cutoff:3.500A) removed outlier: 4.091A pdb=" N CYS B 607 " --> pdb=" O LEU B 603 " (cutoff:3.500A) removed outlier: 4.244A pdb=" N VAL B 608 " --> pdb=" O CYS B 604 " (cutoff:3.500A) removed outlier: 4.649A pdb=" N CYS B 609 " --> pdb=" O SER B 605 " (cutoff:3.500A) Processing helix chain 'B' and resid 614 through 625 removed outlier: 4.110A pdb=" N GLN B 618 " --> pdb=" O VAL B 614 " (cutoff:3.500A) removed outlier: 3.540A pdb=" N ASP B 619 " --> pdb=" O ARG B 615 " (cutoff:3.500A) Processing helix chain 'B' and resid 868 through 890 removed outlier: 4.147A pdb=" N GLU B 872 " --> pdb=" O GLU B 868 " (cutoff:3.500A) removed outlier: 4.337A pdb=" N LYS B 873 " --> pdb=" O ARG B 869 " (cutoff:3.500A) removed outlier: 3.720A pdb=" N TRP B 882 " --> pdb=" O ILE B 878 " (cutoff:3.500A) removed outlier: 4.046A pdb=" N ALA B 883 " --> pdb=" O HIS B 879 " (cutoff:3.500A) removed outlier: 4.550A pdb=" N GLU B 888 " --> pdb=" O LEU B 884 " (cutoff:3.500A) removed outlier: 5.358A pdb=" N GLN B 889 " --> pdb=" O THR B 885 " (cutoff:3.500A) Processing helix chain 'B' and resid 914 through 935 removed outlier: 5.262A pdb=" N LEU B 935 " --> pdb=" O THR B 931 " (cutoff:3.500A) Processing helix chain 'B' and resid 943 through 948 removed outlier: 6.477A pdb=" N GLU B 947 " --> pdb=" O ASP B 943 " (cutoff:3.500A) removed outlier: 3.974A pdb=" N ASP B 948 " --> pdb=" O GLU B 944 " (cutoff:3.500A) No H-bonds generated for 'chain 'B' and resid 943 through 948' Processing helix chain 'B' and resid 956 through 961 Processing helix chain 'B' and resid 978 through 999 removed outlier: 3.974A pdb=" N THR B 982 " --> pdb=" O THR B 978 " (cutoff:3.500A) removed outlier: 3.776A pdb=" N VAL B 985 " --> pdb=" O GLN B 981 " (cutoff:3.500A) removed outlier: 3.831A pdb=" N ASP B 986 " --> pdb=" O THR B 982 " (cutoff:3.500A) removed outlier: 3.589A pdb=" N ARG B 987 " --> pdb=" O THR B 983 " (cutoff:3.500A) removed outlier: 4.405A pdb=" N ASP B 999 " --> pdb=" O VAL B 995 " (cutoff:3.500A) Processing helix chain 'B' and resid 1000 through 1005 Processing helix chain 'B' and resid 1030 through 1047 removed outlier: 3.661A pdb=" N ASP B1037 " --> pdb=" O ARG B1033 " (cutoff:3.500A) removed outlier: 4.244A pdb=" N SER B1038 " --> pdb=" O SER B1034 " (cutoff:3.500A) removed outlier: 4.018A pdb=" N LEU B1039 " --> pdb=" O ASN B1035 " (cutoff:3.500A) removed outlier: 4.186A pdb=" N THR B1045 " --> pdb=" O GLN B1041 " (cutoff:3.500A) removed outlier: 4.183A pdb=" N LEU B1046 " --> pdb=" O ALA B1042 " (cutoff:3.500A) Processing helix chain 'B' and resid 1574 through 1581 removed outlier: 4.125A pdb=" N ALA B1578 " --> pdb=" O PRO B1574 " (cutoff:3.500A) removed outlier: 3.941A pdb=" N MET B1579 " --> pdb=" O LEU B1575 " (cutoff:3.500A) removed outlier: 3.680A pdb=" N PHE B1580 " --> pdb=" O SER B1576 " (cutoff:3.500A) removed outlier: 3.693A pdb=" N LEU B1581 " --> pdb=" O ALA B1577 " (cutoff:3.500A) No H-bonds generated for 'chain 'B' and resid 1574 through 1581' Processing helix chain 'B' and resid 1649 through 1654 removed outlier: 4.116A pdb=" N LEU B1653 " --> pdb=" O ASP B1649 " (cutoff:3.500A) removed outlier: 5.175A pdb=" N SER B1654 " --> pdb=" O ILE B1650 " (cutoff:3.500A) No H-bonds generated for 'chain 'B' and resid 1649 through 1654' Processing helix chain 'B' and resid 1656 through 1675 removed outlier: 5.913A pdb=" N GLN B1660 " --> pdb=" O ARG B1656 " (cutoff:3.500A) removed outlier: 4.809A pdb=" N ARG B1661 " --> pdb=" O LEU B1657 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N CYS B1674 " --> pdb=" O TYR B1670 " (cutoff:3.500A) Processing helix chain 'B' and resid 1678 through 1690 removed outlier: 4.698A pdb=" N ALA B1682 " --> pdb=" O ASN B1678 " (cutoff:3.500A) removed outlier: 4.050A pdb=" N HIS B1683 " --> pdb=" O ASN B1679 " (cutoff:3.500A) removed outlier: 3.975A pdb=" N ALA B1684 " --> pdb=" O ARG B1680 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N HIS B1688 " --> pdb=" O ALA B1684 " (cutoff:3.500A) removed outlier: 3.966A pdb=" N ASP B1690 " --> pdb=" O CYS B1686 " (cutoff:3.500A) Processing helix chain 'B' and resid 1691 through 1700 removed outlier: 3.686A pdb=" N LEU B1698 " --> pdb=" O LEU B1694 " (cutoff:3.500A) removed outlier: 4.234A pdb=" N GLU B1699 " --> pdb=" O LEU B1695 " (cutoff:3.500A) removed outlier: 4.069A pdb=" N ASP B1700 " --> pdb=" O HIS B1696 " (cutoff:3.500A) Processing helix chain 'B' and resid 1704 through 1719 removed outlier: 6.752A pdb=" N ARG B1708 " --> pdb=" O PRO B1704 " (cutoff:3.500A) removed outlier: 3.896A pdb=" N ALA B1709 " --> pdb=" O GLY B1705 " (cutoff:3.500A) removed outlier: 3.659A pdb=" N HIS B1719 " --> pdb=" O LEU B1715 " (cutoff:3.500A) Processing helix chain 'B' and resid 1720 through 1732 removed outlier: 4.387A pdb=" N SER B1732 " --> pdb=" O ARG B1728 " (cutoff:3.500A) Processing helix chain 'B' and resid 1739 through 1745 removed outlier: 4.312A pdb=" N ILE B1745 " --> pdb=" O GLU B1741 " (cutoff:3.500A) Processing helix chain 'B' and resid 1754 through 1759 removed outlier: 4.437A pdb=" N ARG B1759 " --> pdb=" O GLY B1755 " (cutoff:3.500A) Processing helix chain 'B' and resid 1803 through 1825 removed outlier: 3.737A pdb=" N LEU B1807 " --> pdb=" O PRO B1803 " (cutoff:3.500A) removed outlier: 3.720A pdb=" N ASP B1809 " --> pdb=" O GLU B1805 " (cutoff:3.500A) removed outlier: 3.531A pdb=" N LEU B1812 " --> pdb=" O ARG B1808 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N VAL B1819 " --> pdb=" O LEU B1815 " (cutoff:3.500A) removed outlier: 3.858A pdb=" N ARG B1820 " --> pdb=" O GLY B1816 " (cutoff:3.500A) removed outlier: 3.985A pdb=" N GLN B1824 " --> pdb=" O ARG B1820 " (cutoff:3.500A) removed outlier: 4.551A pdb=" N HIS B1825 " --> pdb=" O ASP B1821 " (cutoff:3.500A) Processing helix chain 'B' and resid 1833 through 1852 Proline residue: B1840 - end of helix removed outlier: 3.533A pdb=" N MET B1851 " --> pdb=" O THR B1847 " (cutoff:3.500A) removed outlier: 3.579A pdb=" N GLY B1852 " --> pdb=" O LEU B1848 " (cutoff:3.500A) Processing helix chain 'B' and resid 1855 through 1865 removed outlier: 4.333A pdb=" N MET B1865 " --> pdb=" O GLN B1861 " (cutoff:3.500A) Processing helix chain 'B' and resid 1866 through 1871 removed outlier: 3.639A pdb=" N PHE B1871 " --> pdb=" O GLU B1867 " (cutoff:3.500A) Processing helix chain 'B' and resid 1934 through 1984 removed outlier: 4.173A pdb=" N GLN B1938 " --> pdb=" O SER B1934 " (cutoff:3.500A) removed outlier: 3.689A pdb=" N TYR B1945 " --> pdb=" O ASN B1941 " (cutoff:3.500A) removed outlier: 3.807A pdb=" N PHE B1946 " --> pdb=" O LEU B1942 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N GLU B1950 " --> pdb=" O PHE B1946 " (cutoff:3.500A) removed outlier: 3.821A pdb=" N LEU B1951 " --> pdb=" O CYS B1947 " (cutoff:3.500A) removed outlier: 3.645A pdb=" N GLU B1963 " --> pdb=" O ALA B1959 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N ARG B1964 " --> pdb=" O ALA B1960 " (cutoff:3.500A) removed outlier: 3.613A pdb=" N SER B1975 " --> pdb=" O ALA B1971 " (cutoff:3.500A) removed outlier: 5.220A pdb=" N PHE B1984 " --> pdb=" O LEU B1980 " (cutoff:3.500A) Processing helix chain 'B' and resid 1987 through 1999 removed outlier: 4.144A pdb=" N ARG B1996 " --> pdb=" O ALA B1992 " (cutoff:3.500A) removed outlier: 4.760A pdb=" N GLU B1997 " --> pdb=" O ARG B1993 " (cutoff:3.500A) removed outlier: 3.568A pdb=" N PHE B1998 " --> pdb=" O ARG B1994 " (cutoff:3.500A) Processing helix chain 'B' and resid 2001 through 2015 removed outlier: 3.696A pdb=" N LEU B2009 " --> pdb=" O GLN B2005 " (cutoff:3.500A) removed outlier: 4.008A pdb=" N LEU B2010 " --> pdb=" O ILE B2006 " (cutoff:3.500A) removed outlier: 3.677A pdb=" N HIS B2011 " --> pdb=" O ASN B2007 " (cutoff:3.500A) removed outlier: 3.690A pdb=" N PHE B2012 " --> pdb=" O MET B2008 " (cutoff:3.500A) removed outlier: 3.555A pdb=" N LYS B2013 " --> pdb=" O LEU B2009 " (cutoff:3.500A) removed outlier: 3.937A pdb=" N GLU B2015 " --> pdb=" O HIS B2011 " (cutoff:3.500A) Processing helix chain 'B' and resid 2027 through 2043 removed outlier: 4.809A pdb=" N LEU B2031 " --> pdb=" O ILE B2027 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N GLN B2032 " --> pdb=" O ARG B2028 " (cutoff:3.500A) removed outlier: 4.618A pdb=" N GLY B2043 " --> pdb=" O LEU B2039 " (cutoff:3.500A) Processing helix chain 'B' and resid 2093 through 2109 removed outlier: 3.693A pdb=" N VAL B2103 " --> pdb=" O SER B2099 " (cutoff:3.500A) removed outlier: 4.077A pdb=" N ASP B2109 " --> pdb=" O TRP B2105 " (cutoff:3.500A) Processing helix chain 'B' and resid 2113 through 2130 removed outlier: 3.736A pdb=" N VAL B2117 " --> pdb=" O SER B2113 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N ARG B2126 " --> pdb=" O SER B2122 " (cutoff:3.500A) removed outlier: 3.788A 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: 5.685A pdb=" N TYR B2142 " --> pdb=" O LEU B2138 " (cutoff:3.500A) Processing helix chain 'B' and resid 2148 through 2169 removed outlier: 3.705A pdb=" N THR B2152 " --> pdb=" O SER B2148 " (cutoff:3.500A) removed outlier: 3.694A pdb=" N SER B2154 " --> pdb=" O GLU B2150 " (cutoff:3.500A) removed outlier: 3.544A pdb=" N LEU B2155 " --> pdb=" O ASP B2151 " (cutoff:3.500A) removed outlier: 3.626A pdb=" N GLN B2161 " --> pdb=" O GLU B2157 " (cutoff:3.500A) removed outlier: 3.536A pdb=" N LEU B2166 " --> pdb=" O ILE B2162 " (cutoff:3.500A) removed outlier: 4.621A pdb=" N ILE B2167 " --> pdb=" O ARG B2163 " (cutoff:3.500A) removed outlier: 4.655A pdb=" N VAL B2168 " --> pdb=" O SER B2164 " (cutoff:3.500A) removed outlier: 5.467A pdb=" N GLN B2169 " --> pdb=" O LEU B2165 " (cutoff:3.500A) Processing helix chain 'B' and resid 2171 through 2188 removed outlier: 3.702A pdb=" N ASN B2176 " --> pdb=" O PRO B2172 " (cutoff:3.500A) removed outlier: 3.616A pdb=" N LEU B2177 " --> pdb=" O GLN B2173 " (cutoff:3.500A) removed outlier: 3.601A pdb=" N MET B2186 " --> pdb=" O ILE B2182 " (cutoff:3.500A) removed outlier: 4.323A pdb=" N ASN B2187 " --> pdb=" O GLY B2183 " (cutoff:3.500A) removed outlier: 4.821A pdb=" N ASN B2188 " --> pdb=" O ASN B2184 " (cutoff:3.500A) Processing helix chain 'B' and resid 2189 through 2195 removed outlier: 4.470A pdb=" N GLN B2193 " --> pdb=" O LYS B2189 " (cutoff:3.500A) removed outlier: 3.683A pdb=" N HIS B2194 " --> pdb=" O VAL B2190 " (cutoff:3.500A) Proline residue: B2195 - end of helix No H-bonds generated for 'chain 'B' and resid 2189 through 2195' Processing helix chain 'B' and resid 2196 through 2202 Processing helix chain 'B' and resid 2203 through 2216 removed outlier: 3.794A pdb=" N ASN B2213 " --> pdb=" O GLU B2209 " (cutoff:3.500A) removed outlier: 3.963A pdb=" N VAL B2214 " --> pdb=" O VAL B2210 " (cutoff:3.500A) removed outlier: 3.688A pdb=" N LEU B2215 " --> pdb=" O MET B2211 " (cutoff:3.500A) Processing helix chain 'B' and resid 2225 through 2244 removed outlier: 4.725A pdb=" N VAL B2229 " --> pdb=" O PHE B2225 " (cutoff:3.500A) removed outlier: 6.851A pdb=" N THR B2230 " --> pdb=" O PRO B2226 " (cutoff:3.500A) removed outlier: 4.146A pdb=" N SER B2231 " --> pdb=" O LYS B2227 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N ILE B2242 " --> pdb=" O TYR B2238 " (cutoff:3.500A) removed outlier: 4.584A pdb=" N SER B2243 " --> pdb=" O PHE B2239 " (cutoff:3.500A) removed outlier: 5.179A pdb=" N ARG B2244 " --> pdb=" O CYS B2240 " (cutoff:3.500A) Processing helix chain 'B' and resid 2245 through 2255 removed outlier: 3.754A pdb=" N SER B2249 " --> pdb=" O GLN B2245 " (cutoff:3.500A) removed outlier: 3.783A pdb=" N ASP B2252 " --> pdb=" O ARG B2248 " (cutoff:3.500A) removed outlier: 4.808A pdb=" N HIS B2253 " --> pdb=" O SER B2249 " (cutoff:3.500A) removed outlier: 4.422A pdb=" N LEU B2254 " --> pdb=" O MET B2250 " (cutoff:3.500A) removed outlier: 5.169A pdb=" N SER B2255 " --> pdb=" O PHE B2251 " (cutoff:3.500A) Processing helix chain 'B' and resid 2256 through 2265 removed outlier: 3.612A pdb=" N ASN B2260 " --> pdb=" O TYR B2256 " (cutoff:3.500A) removed outlier: 4.413A pdb=" N GLY B2262 " --> pdb=" O LEU B2258 " (cutoff:3.500A) removed outlier: 4.912A pdb=" N ILE B2263 " --> pdb=" O GLU B2259 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N GLY B2264 " --> pdb=" O ASN B2260 " (cutoff:3.500A) removed outlier: 4.268A pdb=" N LEU B2265 " --> pdb=" O SER B2261 " (cutoff:3.500A) Processing helix chain 'B' and resid 2271 through 2282 removed outlier: 3.750A pdb=" N VAL B2275 " --> pdb=" O THR B2271 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N ALA B2276 " --> pdb=" O PRO B2272 " (cutoff:3.500A) removed outlier: 4.017A pdb=" N VAL B2280 " --> pdb=" O ALA B2276 " (cutoff:3.500A) removed outlier: 4.097A pdb=" N ILE B2281 " --> pdb=" O ALA B2277 " (cutoff:3.500A) removed outlier: 5.346A pdb=" N ASP B2282 " --> pdb=" O ALA B2278 " (cutoff:3.500A) Processing helix chain 'B' and resid 2286 through 2291 removed outlier: 3.598A pdb=" N LEU B2290 " --> pdb=" O LEU B2286 " (cutoff:3.500A) removed outlier: 4.529A pdb=" N GLN B2291 " --> pdb=" O ALA B2287 " (cutoff:3.500A) No H-bonds generated for 'chain 'B' and resid 2286 through 2291' Processing helix chain 'B' and resid 2294 through 2309 removed outlier: 3.628A pdb=" N VAL B2299 " --> pdb=" O LEU B2295 " (cutoff:3.500A) removed outlier: 4.141A pdb=" N SER B2300 " --> pdb=" O GLU B2296 " (cutoff:3.500A) removed outlier: 3.626A pdb=" N TYR B2301 " --> pdb=" O LYS B2297 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N LEU B2302 " --> pdb=" O VAL B2298 " (cutoff:3.500A) removed outlier: 3.670A pdb=" N LEU B2307 " --> pdb=" O ALA B2303 " (cutoff:3.500A) removed outlier: 5.098A pdb=" N SER B2309 " --> pdb=" O CYS B2305 " (cutoff:3.500A) Processing helix chain 'B' and resid 2310 through 2315 removed outlier: 3.691A pdb=" N LEU B2314 " --> pdb=" O CYS B2310 " (cutoff:3.500A) removed outlier: 3.500A pdb=" N ALA B2315 " --> pdb=" O PRO B2311 " (cutoff:3.500A) No H-bonds generated for 'chain 'B' and resid 2310 through 2315' Processing helix chain 'B' and resid 2324 through 2340 removed outlier: 3.569A pdb=" N ARG B2330 " --> pdb=" O CYS B2326 " (cutoff:3.500A) removed outlier: 3.530A pdb=" N TYR B2331 " --> pdb=" O GLY B2327 " (cutoff:3.500A) removed outlier: 4.508A pdb=" N LEU B2332 " --> pdb=" O GLY B2328 " (cutoff:3.500A) removed outlier: 5.138A pdb=" N ASP B2333 " --> pdb=" O GLU B2329 " (cutoff:3.500A) removed outlier: 5.107A pdb=" N PHE B2334 " --> pdb=" O ARG B2330 " (cutoff:3.500A) removed outlier: 6.556A pdb=" N LEU B2335 " --> pdb=" O TYR B2331 " (cutoff:3.500A) removed outlier: 3.538A pdb=" N PHE B2337 " --> pdb=" O ASP B2333 " (cutoff:3.500A) Processing helix chain 'B' and resid 2346 through 2361 removed outlier: 3.852A pdb=" N VAL B2352 " --> pdb=" O GLU B2348 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N ARG B2359 " --> pdb=" O ARG B2355 " (cutoff:3.500A) removed outlier: 4.465A 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 Proline residue: B2390 - end of helix Processing helix chain 'B' and resid 2417 through 2438 Proline residue: B2438 - end of helix Processing helix chain 'B' and resid 2440 through 2447 removed outlier: 3.640A pdb=" N GLY B2446 " --> pdb=" O LEU B2442 " (cutoff:3.500A) Processing helix chain 'B' and resid 2448 through 2462 removed outlier: 4.137A pdb=" N ARG B2452 " --> pdb=" O GLY B2448 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N ILE B2453 " --> pdb=" O GLU B2449 " (cutoff:3.500A) Proline residue: B2462 - end of helix Processing helix chain 'B' and resid 2464 through 2472 removed outlier: 3.930A pdb=" N GLY B2468 " --> pdb=" O ASP B2464 " (cutoff:3.500A) removed outlier: 3.517A pdb=" N ILE B2469 " --> pdb=" O ASP B2465 " (cutoff:3.500A) removed outlier: 3.555A pdb=" N SER B2471 " --> pdb=" O VAL B2467 " (cutoff:3.500A) removed outlier: 3.631A pdb=" N LEU B2472 " --> pdb=" O GLY B2468 " (cutoff:3.500A) Processing helix chain 'B' and resid 2751 through 2774 removed outlier: 4.421A pdb=" N ILE B2755 " --> pdb=" O LEU B2751 " (cutoff:3.500A) removed outlier: 3.660A pdb=" N PHE B2758 " --> pdb=" O PHE B2754 " (cutoff:3.500A) removed outlier: 4.090A pdb=" N ALA B2759 " --> pdb=" O ILE B2755 " (cutoff:3.500A) removed outlier: 3.769A pdb=" N THR B2762 " --> pdb=" O PHE B2758 " (cutoff:3.500A) removed outlier: 4.404A pdb=" N HIS B2763 " --> pdb=" O ALA B2759 " (cutoff:3.500A) removed outlier: 5.033A pdb=" N GLU B2764 " --> pdb=" O GLU B2760 " (cutoff:3.500A) removed outlier: 4.834A pdb=" N LYS B2765 " --> pdb=" O TYR B2761 " (cutoff:3.500A) removed outlier: 4.296A pdb=" N TRP B2766 " --> pdb=" O THR B2762 " (cutoff:3.500A) removed outlier: 4.442A pdb=" N ALA B2767 " --> pdb=" O HIS B2763 " (cutoff:3.500A) removed outlier: 4.015A pdb=" N PHE B2768 " --> pdb=" O GLU B2764 " (cutoff:3.500A) removed outlier: 4.673A pdb=" N ASP B2769 " --> pdb=" O LYS B2765 " (cutoff:3.500A) removed outlier: 5.451A pdb=" N LYS B2770 " --> pdb=" O TRP B2766 " (cutoff:3.500A) removed outlier: 5.472A pdb=" N ILE B2771 " --> pdb=" O ALA B2767 " (cutoff:3.500A) removed outlier: 3.894A pdb=" N GLN B2772 " --> pdb=" O PHE B2768 " (cutoff:3.500A) removed outlier: 3.933A pdb=" N ASN B2773 " --> pdb=" O ASP B2769 " (cutoff:3.500A) Processing helix chain 'B' and resid 2798 through 2804 removed outlier: 4.917A pdb=" N LYS B2802 " --> pdb=" O SER B2798 " (cutoff:3.500A) Processing helix chain 'B' and resid 2872 through 2896 removed outlier: 5.870A pdb=" N GLU B2876 " --> pdb=" O GLN B2872 " (cutoff:3.500A) removed outlier: 4.027A pdb=" N GLN B2877 " --> pdb=" O ALA B2873 " (cutoff:3.500A) removed outlier: 4.460A pdb=" N ALA B2879 " --> pdb=" O ALA B2875 " (cutoff:3.500A) removed outlier: 4.719A pdb=" N ASN B2881 " --> pdb=" O GLN B2877 " (cutoff:3.500A) removed outlier: 5.391A pdb=" N TYR B2882 " --> pdb=" O LEU B2878 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N HIS B2883 " --> pdb=" O ALA B2879 " (cutoff:3.500A) removed outlier: 3.988A pdb=" N LYS B2890 " --> pdb=" O TRP B2886 " (cutoff:3.500A) removed outlier: 5.208A pdb=" N LYS B2891 " --> pdb=" O GLY B2887 " (cutoff:3.500A) removed outlier: 4.821A pdb=" N GLN B2892 " --> pdb=" O ARG B2888 " (cutoff:3.500A) removed outlier: 5.489A pdb=" N GLU B2893 " --> pdb=" O LYS B2889 " (cutoff:3.500A) removed outlier: 5.829A pdb=" N LEU B2894 " --> pdb=" O LYS B2890 " (cutoff:3.500A) removed outlier: 5.263A pdb=" N ALA B2896 " --> pdb=" O GLN B2892 " (cutoff:3.500A) Processing helix chain 'B' and resid 2919 through 2930 removed outlier: 4.242A pdb=" N ALA B2923 " --> pdb=" O ASP B2919 " (cutoff:3.500A) removed outlier: 3.986A pdb=" N GLU B2925 " --> pdb=" O GLU B2921 " (cutoff:3.500A) removed outlier: 4.506A pdb=" N LYS B2928 " --> pdb=" O GLN B2924 " (cutoff:3.500A) removed outlier: 4.088A pdb=" N PHE B2929 " --> pdb=" O GLU B2925 " (cutoff:3.500A) removed outlier: 4.120A pdb=" N LEU B2930 " --> pdb=" O LEU B2926 " (cutoff:3.500A) Processing helix chain 'B' and resid 3645 through 3657 removed outlier: 3.670A pdb=" N LEU B3654 " --> pdb=" O CYS B3650 " (cutoff:3.500A) removed outlier: 4.183A pdb=" N GLU B3655 " --> pdb=" O ASN B3651 " (cutoff:3.500A) removed outlier: 4.576A pdb=" N SER B3656 " --> pdb=" O MET B3652 " (cutoff:3.500A) removed outlier: 5.347A pdb=" N TYR B3657 " --> pdb=" O PHE B3653 " (cutoff:3.500A) Processing helix chain 'B' and resid 3668 through 3683 removed outlier: 5.422A pdb=" N ALA B3680 " --> pdb=" O ASP B3676 " (cutoff:3.500A) removed outlier: 6.872A pdb=" N GLY B3681 " --> pdb=" O LEU B3677 " (cutoff:3.500A) removed outlier: 4.243A pdb=" N GLU B3682 " --> pdb=" O SER B3678 " (cutoff:3.500A) Processing helix chain 'B' and resid 3696 through 3712 removed outlier: 5.659A pdb=" N GLU B3712 " --> pdb=" O THR B3708 " (cutoff:3.500A) Processing helix chain 'B' and resid 3719 through 3736 removed outlier: 3.516A pdb=" N MET B3723 " --> pdb=" O ASP B3719 " (cutoff:3.500A) removed outlier: 3.686A pdb=" N ASP B3727 " --> pdb=" O MET B3723 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N SER B3732 " --> pdb=" O ILE B3728 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N CYS B3733 " --> pdb=" O MET B3729 " (cutoff:3.500A) removed outlier: 4.253A pdb=" N GLU B3736 " --> pdb=" O SER B3732 " (cutoff:3.500A) Processing helix chain 'B' and resid 3752 through 3761 Processing helix chain 'B' and resid 3764 through 3771 removed outlier: 4.831A pdb=" N SER B3768 " --> pdb=" O LEU B3764 " (cutoff:3.500A) removed outlier: 4.486A pdb=" N HIS B3771 " --> pdb=" O GLN B3767 " (cutoff:3.500A) Processing helix chain 'B' and resid 3772 through 3787 removed outlier: 3.586A pdb=" N ALA B3776 " --> pdb=" O THR B3772 " (cutoff:3.500A) removed outlier: 4.966A pdb=" N GLU B3777 " --> pdb=" O ARG B3773 " (cutoff:3.500A) removed outlier: 3.625A pdb=" N MET B3778 " --> pdb=" O GLY B3774 " (cutoff:3.500A) removed outlier: 3.515A pdb=" N LEU B3780 " --> pdb=" O ALA B3776 " (cutoff:3.500A) removed outlier: 3.992A pdb=" N CYS B3786 " --> pdb=" O MET B3782 " (cutoff:3.500A) removed outlier: 5.361A pdb=" N LYS B3787 " --> pdb=" O ILE B3783 " (cutoff:3.500A) Processing helix chain 'B' and resid 3791 through 3806 removed outlier: 3.935A pdb=" N LEU B3805 " --> pdb=" O GLY B3801 " (cutoff:3.500A) Processing helix chain 'B' and resid 3809 through 3824 removed outlier: 3.596A pdb=" N TYR B3819 " --> pdb=" O LYS B3815 " (cutoff:3.500A) Processing helix chain 'B' and resid 3826 through 3839 removed outlier: 7.092A pdb=" N GLN B3830 " --> pdb=" O VAL B3826 " (cutoff:3.500A) removed outlier: 3.518A pdb=" N THR B3838 " --> pdb=" O ALA B3834 " (cutoff:3.500A) removed outlier: 4.340A pdb=" N CYS B3839 " --> pdb=" O LEU B3835 " (cutoff:3.500A) Processing helix chain 'B' and resid 3843 through 3858 removed outlier: 3.662A pdb=" N GLY B3855 " --> pdb=" O ASN B3851 " (cutoff:3.500A) removed outlier: 4.425A pdb=" N LEU B3856 " --> pdb=" O LYS B3852 " (cutoff:3.500A) removed outlier: 4.504A pdb=" N GLY B3857 " --> pdb=" O ALA B3853 " (cutoff:3.500A) removed outlier: 5.578A pdb=" N MET B3858 " --> pdb=" O GLU B3854 " (cutoff:3.500A) Processing helix chain 'B' and resid 3877 through 3893 removed outlier: 3.844A pdb=" N ASP B3883 " --> pdb=" O GLU B3879 " (cutoff:3.500A) removed outlier: 4.328A pdb=" N CYS B3892 " --> pdb=" O LEU B3888 " (cutoff:3.500A) removed outlier: 3.597A pdb=" N GLU B3893 " --> pdb=" O GLN B3889 " (cutoff:3.500A) Processing helix chain 'B' and resid 3896 through 3905 removed outlier: 6.439A pdb=" N GLN B3900 " --> pdb=" O ASN B3896 " (cutoff:3.500A) removed outlier: 4.135A pdb=" N ASN B3901 " --> pdb=" O ASN B3897 " (cutoff:3.500A) removed outlier: 3.649A pdb=" N ARG B3904 " --> pdb=" O GLN B3900 " (cutoff:3.500A) removed outlier: 3.514A pdb=" N THR B3905 " --> pdb=" O ASN B3901 " (cutoff:3.500A) Processing helix chain 'B' and resid 3914 through 3939 removed outlier: 3.597A pdb=" N CYS B3918 " --> pdb=" O ASN B3914 " (cutoff:3.500A) removed outlier: 3.536A pdb=" N TRP B3935 " --> pdb=" O SER B3931 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N TYR B3936 " --> pdb=" O ASP B3932 " (cutoff:3.500A) removed outlier: 3.761A pdb=" N TYR B3937 " --> pdb=" O PHE B3933 " (cutoff:3.500A) removed outlier: 4.325A pdb=" N GLY B3939 " --> pdb=" O TRP B3935 " (cutoff:3.500A) Processing helix chain 'B' and resid 3944 through 3970 removed outlier: 3.686A pdb=" N LYS B3953 " --> pdb=" O ARG B3949 " (cutoff:3.500A) removed outlier: 4.095A pdb=" N ALA B3954 " --> pdb=" O ASN B3950 " (cutoff:3.500A) removed outlier: 3.981A pdb=" N MET B3955 " --> pdb=" O PHE B3951 " (cutoff:3.500A) removed outlier: 3.935A pdb=" N SER B3956 " --> pdb=" O SER B3952 " (cutoff:3.500A) removed outlier: 3.737A pdb=" N VAL B3957 " --> pdb=" O LYS B3953 " (cutoff:3.500A) removed outlier: 3.983A pdb=" N GLU B3967 " --> pdb=" O ASN B3963 " (cutoff:3.500A) removed outlier: 3.900A pdb=" N TYR B3968 " --> pdb=" O SER B3964 " (cutoff:3.500A) removed outlier: 3.860A pdb=" N ILE B3969 " --> pdb=" O LEU B3965 " (cutoff:3.500A) Processing helix chain 'B' and resid 3973 through 3984 removed outlier: 5.115A pdb=" N ARG B3984 " --> pdb=" O LEU B3980 " (cutoff:3.500A) Processing helix chain 'B' and resid 3985 through 4006 removed outlier: 3.510A pdb=" N HIS B3998 " --> pdb=" O HIS B3994 " (cutoff:3.500A) removed outlier: 3.666A pdb=" N MET B4001 " --> pdb=" O ALA B3997 " (cutoff:3.500A) removed outlier: 4.263A pdb=" N GLN B4005 " --> pdb=" O MET B4001 " (cutoff:3.500A) removed outlier: 4.751A pdb=" N ASP B4006 " --> pdb=" O LYS B4002 " (cutoff:3.500A) Processing helix chain 'B' and resid 4009 through 4032 removed outlier: 3.580A pdb=" N LEU B4013 " --> pdb=" O GLN B4009 " (cutoff:3.500A) removed outlier: 3.723A pdb=" N LEU B4030 " --> pdb=" O MET B4026 " (cutoff:3.500A) removed outlier: 4.422A pdb=" N LEU B4031 " --> pdb=" O LEU B4027 " (cutoff:3.500A) removed outlier: 4.423A pdb=" N GLU B4032 " --> pdb=" O LEU B4028 " (cutoff:3.500A) Processing helix chain 'B' and resid 4038 through 4052 removed outlier: 6.320A pdb=" N ARG B4042 " --> pdb=" O GLY B4038 " (cutoff:3.500A) removed outlier: 4.263A pdb=" N GLN B4043 " --> pdb=" O MET B4039 " (cutoff:3.500A) Processing helix chain 'B' and resid 4053 through 4072 removed outlier: 3.858A pdb=" N MET B4057 " --> pdb=" O SER B4053 " (cutoff:3.500A) removed outlier: 3.623A pdb=" N PHE B4065 " --> pdb=" O PHE B4061 " (cutoff:3.500A) removed outlier: 3.762A pdb=" N LYS B4069 " --> pdb=" O PHE B4065 " (cutoff:3.500A) removed outlier: 4.289A pdb=" N ASP B4070 " --> pdb=" O LEU B4066 " (cutoff:3.500A) removed outlier: 3.664A pdb=" N ILE B4071 " --> pdb=" O LYS B4067 " (cutoff:3.500A) Processing helix chain 'B' and resid 4074 through 4081 removed outlier: 5.022A pdb=" N TYR B4080 " --> pdb=" O ALA B4076 " (cutoff:3.500A) removed outlier: 4.405A pdb=" N VAL B4081 " --> pdb=" O PHE B4077 " (cutoff:3.500A) Processing helix chain 'B' and resid 4090 through 4101 removed outlier: 3.722A pdb=" N GLN B4094 " --> pdb=" O LYS B4090 " (cutoff:3.500A) removed outlier: 4.241A pdb=" N LYS B4095 " --> pdb=" O LYS B4091 " (cutoff:3.500A) removed outlier: 3.659A pdb=" N GLN B4100 " --> pdb=" O ALA B4096 " (cutoff:3.500A) removed outlier: 4.612A pdb=" N LYS B4101 " --> pdb=" O MET B4097 " (cutoff:3.500A) Processing helix chain 'B' and resid 4104 through 4116 removed outlier: 3.825A pdb=" N ILE B4108 " --> pdb=" O THR B4104 " (cutoff:3.500A) removed outlier: 4.030A pdb=" N GLN B4109 " --> pdb=" O GLY B4105 " (cutoff:3.500A) removed outlier: 4.863A pdb=" N GLU B4116 " --> pdb=" O LEU B4112 " (cutoff:3.500A) Processing helix chain 'B' and resid 4124 through 4137 removed outlier: 5.340A pdb=" N PHE B4132 " --> pdb=" O PHE B4128 " (cutoff:3.500A) removed outlier: 4.846A pdb=" N GLN B4133 " --> pdb=" O ALA B4129 " (cutoff:3.500A) removed outlier: 4.349A pdb=" N GLU B4134 " --> pdb=" O ASN B4130 " (cutoff:3.500A) Proline residue: B4135 - end of helix Processing helix chain 'B' and resid 4138 through 4154 Processing helix chain 'B' and resid 4157 through 4168 removed outlier: 4.230A pdb=" N PHE B4163 " --> pdb=" O ARG B4159 " (cutoff:3.500A) removed outlier: 4.005A pdb=" N LEU B4164 " --> pdb=" O LEU B4160 " (cutoff:3.500A) removed outlier: 4.228A pdb=" N GLU B4165 " --> pdb=" O ARG B4161 " (cutoff:3.500A) removed outlier: 3.717A pdb=" N LEU B4166 " --> pdb=" O ASN B4162 " (cutoff:3.500A) Processing helix chain 'B' and resid 4169 through 4175 Processing helix chain 'B' and resid 4198 through 4207 removed outlier: 4.075A pdb=" N ARG B4202 " --> pdb=" O SER B4198 " (cutoff:3.500A) removed outlier: 3.620A pdb=" N GLN B4204 " --> pdb=" O THR B4200 " (cutoff:3.500A) removed outlier: 4.705A pdb=" N MET B4207 " --> pdb=" O ALA B4203 " (cutoff:3.500A) Processing helix chain 'B' and resid 4208 through 4224 removed outlier: 3.591A pdb=" N ASN B4223 " --> pdb=" O PHE B4219 " (cutoff:3.500A) Processing helix chain 'B' and resid 4229 through 4252 removed outlier: 4.171A pdb=" N SER B4252 " --> pdb=" O ALA B4248 " (cutoff:3.500A) Processing helix chain 'B' and resid 4543 through 4559 removed outlier: 4.603A pdb=" N GLN B4547 " --> pdb=" O GLU B4543 " (cutoff:3.500A) removed outlier: 3.800A pdb=" N ARG B4557 " --> pdb=" O ASN B4553 " (cutoff:3.500A) removed outlier: 3.970A pdb=" N ASN B4558 " --> pdb=" O TYR B4554 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N PHE B4559 " --> pdb=" O LEU B4555 " (cutoff:3.500A) Processing helix chain 'B' and resid 4560 through 4579 removed outlier: 4.210A pdb=" N PHE B4579 " --> pdb=" O PHE B4575 " (cutoff:3.500A) Processing helix chain 'B' and resid 4643 through 4684 removed outlier: 3.580A pdb=" N THR B4651 " --> pdb=" O SER B4647 " (cutoff:3.500A) removed outlier: 3.654A pdb=" N ILE B4658 " --> pdb=" O ALA B4654 " (cutoff:3.500A) removed outlier: 3.559A pdb=" N ILE B4659 " --> pdb=" O PHE B4655 " (cutoff:3.500A) removed outlier: 3.544A pdb=" N CYS B4663 " --> pdb=" O ILE B4659 " (cutoff:3.500A) removed outlier: 3.697A pdb=" N VAL B4666 " --> pdb=" O ASN B4662 " (cutoff:3.500A) Proline residue: B4667 - end of helix removed outlier: 3.613A pdb=" N ASP B4684 " --> pdb=" O LYS B4680 " (cutoff:3.500A) Processing helix chain 'B' and resid 4696 through 4707 removed outlier: 3.573A pdb=" N ARG B4703 " --> pdb=" O GLY B4699 " (cutoff:3.500A) removed outlier: 4.491A pdb=" N LEU B4704 " --> pdb=" O GLN B4700 " (cutoff:3.500A) removed outlier: 4.644A pdb=" N VAL B4705 " --> pdb=" O TRP B4701 " (cutoff:3.500A) removed outlier: 3.953A pdb=" N LEU B4706 " --> pdb=" O ASP B4702 " (cutoff:3.500A) removed outlier: 4.991A pdb=" N ASN B4707 " --> pdb=" O ARG B4703 " (cutoff:3.500A) Processing helix chain 'B' and resid 4719 through 4729 removed outlier: 3.508A pdb=" N LEU B4725 " --> pdb=" O LYS B4721 " (cutoff:3.500A) Processing helix chain 'B' and resid 4733 through 4742 removed outlier: 4.371A pdb=" N GLY B4742 " --> pdb=" O ALA B4738 " (cutoff:3.500A) Processing helix chain 'B' and resid 4749 through 4754 Processing helix chain 'B' and resid 4766 through 4771 removed outlier: 4.264A pdb=" N SER B4770 " --> pdb=" O THR B4766 " (cutoff:3.500A) removed outlier: 3.525A pdb=" N ILE B4771 " --> pdb=" O TRP B4767 " (cutoff:3.500A) No H-bonds generated for 'chain 'B' and resid 4766 through 4771' Processing helix chain 'B' and resid 4772 through 4786 removed outlier: 3.990A pdb=" N ASP B4786 " --> pdb=" O VAL B4782 " (cutoff:3.500A) Processing helix chain 'B' and resid 4787 through 4803 removed outlier: 4.488A pdb=" N HIS B4803 " --> pdb=" O SER B4799 " (cutoff:3.500A) Processing helix chain 'B' and resid 4807 through 4820 removed outlier: 4.582A pdb=" N ALA B4811 " --> pdb=" O PHE B4807 " (cutoff:3.500A) removed outlier: 4.633A pdb=" N HIS B4812 " --> pdb=" O PHE B4808 " (cutoff:3.500A) removed outlier: 4.542A pdb=" N LEU B4813 " --> pdb=" O PHE B4809 " (cutoff:3.500A) removed outlier: 4.614A pdb=" N LEU B4814 " --> pdb=" O ALA B4810 " (cutoff:3.500A) removed outlier: 3.887A pdb=" N ASP B4815 " --> pdb=" O ALA B4811 " (cutoff:3.500A) removed outlier: 3.934A pdb=" N MET B4818 " --> pdb=" O LEU B4814 " (cutoff:3.500A) removed outlier: 4.739A pdb=" N GLY B4819 " --> pdb=" O ASP B4815 " (cutoff:3.500A) removed outlier: 4.810A pdb=" N VAL B4820 " --> pdb=" O ILE B4816 " (cutoff:3.500A) Processing helix chain 'B' and resid 4821 through 4832 removed outlier: 3.814A pdb=" N THR B4825 " --> pdb=" O LYS B4821 " (cutoff:3.500A) removed outlier: 3.586A pdb=" N ILE B4826 " --> pdb=" O THR B4822 " (cutoff:3.500A) removed outlier: 3.849A pdb=" N SER B4829 " --> pdb=" O THR B4825 " (cutoff:3.500A) removed outlier: 4.256A pdb=" N VAL B4830 " --> pdb=" O ILE B4826 " (cutoff:3.500A) Processing helix chain 'B' and resid 4833 through 4858 Processing helix chain 'B' and resid 4878 through 4893 removed outlier: 4.715A pdb=" N VAL B4891 " --> pdb=" O MET B4887 " (cutoff:3.500A) removed outlier: 5.445A pdb=" N ARG B4892 " --> pdb=" O TYR B4888 " (cutoff:3.500A) Processing helix chain 'B' and resid 4897 through 4902 removed outlier: 3.848A pdb=" N ILE B4901 " --> pdb=" O ILE B4897 " (cutoff:3.500A) removed outlier: 5.527A pdb=" N GLU B4902 " --> pdb=" O GLY B4898 " (cutoff:3.500A) No H-bonds generated for 'chain 'B' and resid 4897 through 4902' Processing helix chain 'B' and resid 4909 through 4924 removed outlier: 6.196A pdb=" N VAL B4914 " --> pdb=" O GLU B4910 " (cutoff:3.500A) removed outlier: 4.411A pdb=" N VAL B4915 " --> pdb=" O LEU B4911 " (cutoff:3.500A) Processing helix chain 'B' and resid 4928 through 4957 removed outlier: 3.672A pdb=" N ILE B4936 " --> pdb=" O ILE B4932 " (cutoff:3.500A) removed outlier: 3.777A pdb=" N PHE B4940 " --> pdb=" O ILE B4936 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N GLY B4941 " --> pdb=" O ILE B4937 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N VAL B4950 " --> pdb=" O GLN B4946 " (cutoff:3.500A) removed outlier: 3.630A pdb=" N LYS B4951 " --> pdb=" O GLN B4947 " (cutoff:3.500A) removed outlier: 3.640A pdb=" N GLU B4955 " --> pdb=" O LYS B4951 " (cutoff:3.500A) Processing helix chain 'B' and resid 4964 through 4970 removed outlier: 3.844A pdb=" N PHE B4968 " --> pdb=" O GLY B4964 " (cutoff:3.500A) removed outlier: 3.848A 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 4998 removed outlier: 6.230A pdb=" N TYR B4988 " --> pdb=" O ASN B4984 " (cutoff:3.500A) removed outlier: 4.726A pdb=" N MET B4989 " --> pdb=" O LEU B4985 " (cutoff:3.500A) Processing helix chain 'B' and resid 5004 through 5017 removed outlier: 3.688A pdb=" N GLU B5016 " --> pdb=" O LYS B5012 " (cutoff:3.500A) Processing helix chain 'B' and resid 5027 through 5033 removed outlier: 6.428A pdb=" N GLN B5031 " --> pdb=" O CYS B5027 " (cutoff:3.500A) removed outlier: 4.047A pdb=" N TYR B5032 " --> pdb=" O PHE B5028 " (cutoff:3.500A) Processing helix chain 'B' and resid 3865 through 3870 removed outlier: 5.588A pdb=" N ARG B3868 " --> pdb=" O VAL B3865 " (cutoff:3.500A) removed outlier: 4.648A pdb=" N ASN B3870 " --> pdb=" O ASN B3867 " (cutoff:3.500A) Processing helix chain 'B' and resid 4685 through 4690 removed outlier: 3.769A pdb=" N GLU B4690 " --> pdb=" O GLY B4685 " (cutoff:3.500A) No H-bonds generated for 'chain 'B' and resid 4685 through 4690' Processing sheet with id= 1, first strand: chain 'A' and resid 47 through 52 removed outlier: 6.073A pdb=" N LYS A 34 " --> pdb=" O THR A 52 " (cutoff:3.500A) removed outlier: 3.893A pdb=" N LEU A 33 " --> pdb=" O ALA A 26 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N LEU A 37 " --> pdb=" O LEU A 22 " (cutoff:3.500A) removed outlier: 5.407A pdb=" N LEU A 22 " --> pdb=" O LEU A 37 " (cutoff:3.500A) removed outlier: 10.340A pdb=" N ALA A 39 " --> pdb=" O VAL A 20 " (cutoff:3.500A) removed outlier: 13.692A pdb=" N VAL A 20 " --> pdb=" O ALA A 39 " (cutoff:3.500A) removed outlier: 6.826A pdb=" N GLU A 19 " --> pdb=" O ILE A 205 " (cutoff:3.500A) Processing sheet with id= 2, first strand: chain 'A' and resid 67 through 70 removed outlier: 6.937A pdb=" N LEU A 108 " --> pdb=" O GLU A 70 " (cutoff:3.500A) removed outlier: 5.515A pdb=" N LEU A 109 " --> pdb=" O LEU A 118 " (cutoff:3.500A) removed outlier: 4.198A pdb=" N MET A 116 " --> pdb=" O HIS A 111 " (cutoff:3.500A) Processing sheet with id= 3, first strand: chain 'A' and resid 148 through 152 Processing sheet with id= 4, first strand: chain 'A' and resid 181 through 184 Processing sheet with id= 5, first strand: chain 'A' and resid 228 through 233 removed outlier: 6.699A pdb=" N ASP A 228 " --> pdb=" O GLY A 250 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N GLY A 250 " --> pdb=" O ASP A 228 " (cutoff:3.500A) removed outlier: 4.023A pdb=" N CYS A 230 " --> pdb=" O GLU A 248 " (cutoff:3.500A) Processing sheet with id= 6, first strand: chain 'A' and resid 280 through 284 removed outlier: 4.229A pdb=" N LEU A 262 " --> pdb=" O HIS A 218 " (cutoff:3.500A) removed outlier: 4.487A pdb=" N HIS A 218 " --> pdb=" O LEU A 262 " (cutoff:3.500A) Processing sheet with id= 7, first strand: chain 'A' and resid 314 through 318 Processing sheet with id= 8, first strand: chain 'A' and resid 681 through 686 Processing sheet with id= 9, first strand: chain 'A' and resid 714 through 717 removed outlier: 5.120A pdb=" N HIS A 720 " --> pdb=" O ASP A 717 " (cutoff:3.500A) removed outlier: 6.426A pdb=" N LEU A 719 " --> pdb=" O VAL A 730 " (cutoff:3.500A) removed outlier: 3.695A pdb=" N THR A 723 " --> pdb=" O VAL A 726 " (cutoff:3.500A) removed outlier: 3.688A pdb=" N VAL A 726 " --> pdb=" O THR A 723 " (cutoff:3.500A) Processing sheet with id= 10, first strand: chain 'A' and resid 753 through 759 removed outlier: 3.598A pdb=" N GLU A 665 " --> pdb=" O LEU A 792 " (cutoff:3.500A) Processing sheet with id= 11, first strand: chain 'A' and resid 829 through 833 removed outlier: 5.288A pdb=" N TYR A 829 " --> pdb=" O VAL A 840 " (cutoff:3.500A) removed outlier: 4.463A pdb=" N GLY A 836 " --> pdb=" O GLY A 833 " (cutoff:3.500A) removed outlier: 5.229A pdb=" N LEU A1202 " --> pdb=" O PRO A 837 " (cutoff:3.500A) removed outlier: 5.384A pdb=" N GLN A1198 " --> pdb=" O GLY A 841 " (cutoff:3.500A) removed outlier: 6.574A pdb=" N VAL A1199 " --> pdb=" O VAL A1095 " (cutoff:3.500A) Processing sheet with id= 12, first strand: chain 'A' and resid 937 through 940 removed outlier: 4.494A pdb=" N GLY A 940 " --> pdb=" O GLY A1050 " (cutoff:3.500A) removed outlier: 4.508A pdb=" N GLY A1050 " --> pdb=" O GLY A 940 " (cutoff:3.500A) Processing sheet with id= 13, first strand: chain 'A' and resid 1073 through 1077 Processing sheet with id= 14, first strand: chain 'A' and resid 4177 through 4184 removed outlier: 7.770A pdb=" N TYR A4177 " --> pdb=" O ILE A4197 " (cutoff:3.500A) Processing sheet with id= 15, first strand: chain 'C' and resid 47 through 52 removed outlier: 6.076A pdb=" N LYS C 34 " --> pdb=" O THR C 52 " (cutoff:3.500A) removed outlier: 3.895A pdb=" N LEU C 33 " --> pdb=" O ALA C 26 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N LEU C 37 " --> pdb=" O LEU C 22 " (cutoff:3.500A) removed outlier: 5.406A pdb=" N LEU C 22 " --> pdb=" O LEU C 37 " (cutoff:3.500A) removed outlier: 10.346A pdb=" N ALA C 39 " --> pdb=" O VAL C 20 " (cutoff:3.500A) removed outlier: 13.692A pdb=" N VAL C 20 " --> pdb=" O ALA C 39 " (cutoff:3.500A) removed outlier: 6.825A pdb=" N GLU C 19 " --> pdb=" O ILE C 205 " (cutoff:3.500A) Processing sheet with id= 16, first strand: chain 'C' and resid 67 through 70 removed outlier: 6.934A pdb=" N LEU C 108 " --> pdb=" O GLU C 70 " (cutoff:3.500A) removed outlier: 5.503A pdb=" N LEU C 109 " --> pdb=" O LEU C 118 " (cutoff:3.500A) removed outlier: 4.201A pdb=" N MET C 116 " --> pdb=" O HIS C 111 " (cutoff:3.500A) Processing sheet with id= 17, first strand: chain 'C' and resid 148 through 152 Processing sheet with id= 18, first strand: chain 'C' and resid 181 through 184 Processing sheet with id= 19, first strand: chain 'C' and resid 228 through 233 removed outlier: 6.724A pdb=" N ASP C 228 " --> pdb=" O GLY C 250 " (cutoff:3.500A) removed outlier: 3.980A pdb=" N GLY C 250 " --> pdb=" O ASP C 228 " (cutoff:3.500A) removed outlier: 4.020A pdb=" N CYS C 230 " --> pdb=" O GLU C 248 " (cutoff:3.500A) Processing sheet with id= 20, first strand: chain 'C' and resid 280 through 284 removed outlier: 4.237A pdb=" N LEU C 262 " --> pdb=" O HIS C 218 " (cutoff:3.500A) removed outlier: 4.493A pdb=" N HIS C 218 " --> pdb=" O LEU C 262 " (cutoff:3.500A) Processing sheet with id= 21, first strand: chain 'C' and resid 314 through 318 Processing sheet with id= 22, first strand: chain 'C' and resid 681 through 686 Processing sheet with id= 23, first strand: chain 'C' and resid 714 through 717 removed outlier: 5.074A pdb=" N HIS C 720 " --> pdb=" O ASP C 717 " (cutoff:3.500A) removed outlier: 6.279A pdb=" N LEU C 719 " --> pdb=" O VAL C 730 " (cutoff:3.500A) removed outlier: 3.793A pdb=" N THR C 723 " --> pdb=" O VAL C 726 " (cutoff:3.500A) removed outlier: 3.812A pdb=" N VAL C 726 " --> pdb=" O THR C 723 " (cutoff:3.500A) Processing sheet with id= 24, first strand: chain 'C' and resid 753 through 759 removed outlier: 3.552A pdb=" N GLU C 665 " --> pdb=" O LEU C 792 " (cutoff:3.500A) Processing sheet with id= 25, first strand: chain 'C' and resid 829 through 833 removed outlier: 5.295A pdb=" N TYR C 829 " --> pdb=" O VAL C 840 " (cutoff:3.500A) removed outlier: 4.468A pdb=" N GLY C 836 " --> pdb=" O GLY C 833 " (cutoff:3.500A) removed outlier: 5.212A pdb=" N LEU C1202 " --> pdb=" O PRO C 837 " (cutoff:3.500A) removed outlier: 5.383A pdb=" N GLN C1198 " --> pdb=" O GLY C 841 " (cutoff:3.500A) removed outlier: 6.573A pdb=" N VAL C1199 " --> pdb=" O VAL C1095 " (cutoff:3.500A) Processing sheet with id= 26, first strand: chain 'C' and resid 937 through 940 removed outlier: 4.493A pdb=" N GLY C 940 " --> pdb=" O GLY C1050 " (cutoff:3.500A) removed outlier: 4.507A pdb=" N GLY C1050 " --> pdb=" O GLY C 940 " (cutoff:3.500A) Processing sheet with id= 27, first strand: chain 'C' and resid 1073 through 1077 Processing sheet with id= 28, first strand: chain 'C' and resid 4177 through 4184 removed outlier: 7.785A pdb=" N TYR C4177 " --> pdb=" O ILE C4197 " (cutoff:3.500A) Processing sheet with id= 29, first strand: chain 'D' and resid 47 through 52 removed outlier: 6.074A pdb=" N LYS D 34 " --> pdb=" O THR D 52 " (cutoff:3.500A) removed outlier: 3.898A pdb=" N LEU D 33 " --> pdb=" O ALA D 26 " (cutoff:3.500A) removed outlier: 3.767A pdb=" N LEU D 37 " --> pdb=" O LEU D 22 " (cutoff:3.500A) removed outlier: 5.403A pdb=" N LEU D 22 " --> pdb=" O LEU D 37 " (cutoff:3.500A) removed outlier: 10.344A pdb=" N ALA D 39 " --> pdb=" O VAL D 20 " (cutoff:3.500A) removed outlier: 13.690A pdb=" N VAL D 20 " --> pdb=" O ALA D 39 " (cutoff:3.500A) removed outlier: 6.823A pdb=" N GLU D 19 " --> pdb=" O ILE D 205 " (cutoff:3.500A) Processing sheet with id= 30, first strand: chain 'D' and resid 67 through 70 removed outlier: 6.941A pdb=" N LEU D 108 " --> pdb=" O GLU D 70 " (cutoff:3.500A) removed outlier: 5.503A pdb=" N LEU D 109 " --> pdb=" O LEU D 118 " (cutoff:3.500A) removed outlier: 4.197A pdb=" N MET D 116 " --> pdb=" O HIS D 111 " (cutoff:3.500A) Processing sheet with id= 31, first strand: chain 'D' and resid 148 through 152 Processing sheet with id= 32, first strand: chain 'D' and resid 181 through 184 Processing sheet with id= 33, first strand: chain 'D' and resid 228 through 233 removed outlier: 6.717A pdb=" N ASP D 228 " --> pdb=" O GLY D 250 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N GLY D 250 " --> pdb=" O ASP D 228 " (cutoff:3.500A) removed outlier: 4.017A pdb=" N CYS D 230 " --> pdb=" O GLU D 248 " (cutoff:3.500A) Processing sheet with id= 34, first strand: chain 'D' and resid 280 through 284 removed outlier: 4.233A pdb=" N LEU D 262 " --> pdb=" O HIS D 218 " (cutoff:3.500A) removed outlier: 4.488A pdb=" N HIS D 218 " --> pdb=" O LEU D 262 " (cutoff:3.500A) Processing sheet with id= 35, first strand: chain 'D' and resid 314 through 318 Processing sheet with id= 36, first strand: chain 'D' and resid 681 through 686 Processing sheet with id= 37, first strand: chain 'D' and resid 714 through 717 removed outlier: 5.058A pdb=" N HIS D 720 " --> pdb=" O ASP D 717 " (cutoff:3.500A) removed outlier: 6.282A pdb=" N LEU D 719 " --> pdb=" O VAL D 730 " (cutoff:3.500A) removed outlier: 3.791A pdb=" N THR D 723 " --> pdb=" O VAL D 726 " (cutoff:3.500A) removed outlier: 3.812A pdb=" N VAL D 726 " --> pdb=" O THR D 723 " (cutoff:3.500A) Processing sheet with id= 38, first strand: chain 'D' and resid 753 through 759 removed outlier: 3.550A pdb=" N GLU D 665 " --> pdb=" O LEU D 792 " (cutoff:3.500A) Processing sheet with id= 39, first strand: chain 'D' and resid 829 through 833 removed outlier: 5.293A pdb=" N TYR D 829 " --> pdb=" O VAL D 840 " (cutoff:3.500A) removed outlier: 4.468A pdb=" N GLY D 836 " --> pdb=" O GLY D 833 " (cutoff:3.500A) removed outlier: 5.216A pdb=" N LEU D1202 " --> pdb=" O PRO D 837 " (cutoff:3.500A) removed outlier: 5.383A pdb=" N GLN D1198 " --> pdb=" O GLY D 841 " (cutoff:3.500A) removed outlier: 6.574A pdb=" N VAL D1199 " --> pdb=" O VAL D1095 " (cutoff:3.500A) Processing sheet with id= 40, first strand: chain 'D' and resid 937 through 940 removed outlier: 4.491A pdb=" N GLY D 940 " --> pdb=" O GLY D1050 " (cutoff:3.500A) removed outlier: 4.507A pdb=" N GLY D1050 " --> pdb=" O GLY D 940 " (cutoff:3.500A) Processing sheet with id= 41, first strand: chain 'D' and resid 1073 through 1077 Processing sheet with id= 42, first strand: chain 'D' and resid 4177 through 4184 removed outlier: 7.783A pdb=" N TYR D4177 " --> pdb=" O ILE D4197 " (cutoff:3.500A) Processing sheet with id= 43, first strand: chain 'B' and resid 47 through 52 removed outlier: 6.076A pdb=" N LYS B 34 " --> pdb=" O THR B 52 " (cutoff:3.500A) removed outlier: 3.892A pdb=" N LEU B 33 " --> pdb=" O ALA B 26 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N LEU B 37 " --> pdb=" O LEU B 22 " (cutoff:3.500A) removed outlier: 5.409A pdb=" N LEU B 22 " --> pdb=" O LEU B 37 " (cutoff:3.500A) removed outlier: 10.344A pdb=" N ALA B 39 " --> pdb=" O VAL B 20 " (cutoff:3.500A) removed outlier: 13.691A pdb=" N VAL B 20 " --> pdb=" O ALA B 39 " (cutoff:3.500A) removed outlier: 6.783A pdb=" N GLU B 19 " --> pdb=" O ILE B 205 " (cutoff:3.500A) Processing sheet with id= 44, first strand: chain 'B' and resid 67 through 70 removed outlier: 6.940A pdb=" N LEU B 108 " --> pdb=" O GLU B 70 " (cutoff:3.500A) removed outlier: 5.507A pdb=" N LEU B 109 " --> pdb=" O LEU B 118 " (cutoff:3.500A) removed outlier: 4.197A pdb=" N MET B 116 " --> pdb=" O HIS B 111 " (cutoff:3.500A) Processing sheet with id= 45, first strand: chain 'B' and resid 148 through 152 Processing sheet with id= 46, first strand: chain 'B' and resid 181 through 184 Processing sheet with id= 47, first strand: chain 'B' and resid 228 through 233 removed outlier: 6.721A pdb=" N ASP B 228 " --> pdb=" O GLY B 250 " (cutoff:3.500A) removed outlier: 3.978A pdb=" N GLY B 250 " --> pdb=" O ASP B 228 " (cutoff:3.500A) removed outlier: 4.004A pdb=" N CYS B 230 " --> pdb=" O GLU B 248 " (cutoff:3.500A) Processing sheet with id= 48, first strand: chain 'B' and resid 280 through 284 removed outlier: 4.225A pdb=" N LEU B 262 " --> pdb=" O HIS B 218 " (cutoff:3.500A) removed outlier: 4.488A pdb=" N HIS B 218 " --> pdb=" O LEU B 262 " (cutoff:3.500A) Processing sheet with id= 49, first strand: chain 'B' and resid 314 through 318 Processing sheet with id= 50, first strand: chain 'B' and resid 681 through 686 Processing sheet with id= 51, first strand: chain 'B' and resid 714 through 717 removed outlier: 5.050A pdb=" N HIS B 720 " --> pdb=" O ASP B 717 " (cutoff:3.500A) removed outlier: 6.280A pdb=" N LEU B 719 " --> pdb=" O VAL B 730 " (cutoff:3.500A) removed outlier: 3.795A pdb=" N THR B 723 " --> pdb=" O VAL B 726 " (cutoff:3.500A) removed outlier: 3.884A pdb=" N VAL B 726 " --> pdb=" O THR B 723 " (cutoff:3.500A) Processing sheet with id= 52, first strand: chain 'B' and resid 753 through 759 removed outlier: 3.549A pdb=" N GLU B 665 " --> pdb=" O LEU B 792 " (cutoff:3.500A) Processing sheet with id= 53, first strand: chain 'B' and resid 829 through 833 removed outlier: 5.286A pdb=" N TYR B 829 " --> pdb=" O VAL B 840 " (cutoff:3.500A) removed outlier: 4.463A pdb=" N GLY B 836 " --> pdb=" O GLY B 833 " (cutoff:3.500A) removed outlier: 5.227A pdb=" N LEU B1202 " --> pdb=" O PRO B 837 " (cutoff:3.500A) removed outlier: 5.397A pdb=" N GLN B1198 " --> pdb=" O GLY B 841 " (cutoff:3.500A) removed outlier: 6.569A pdb=" N VAL B1199 " --> pdb=" O VAL B1095 " (cutoff:3.500A) Processing sheet with id= 54, first strand: chain 'B' and resid 937 through 940 removed outlier: 4.601A pdb=" N GLY B 940 " --> pdb=" O GLY B1050 " (cutoff:3.500A) removed outlier: 4.535A pdb=" N GLY B1050 " --> pdb=" O GLY B 940 " (cutoff:3.500A) Processing sheet with id= 55, first strand: chain 'B' and resid 1073 through 1077 Processing sheet with id= 56, first strand: chain 'B' and resid 4177 through 4184 removed outlier: 7.772A pdb=" N TYR B4177 " --> pdb=" O ILE B4197 " (cutoff:3.500A) 3942 hydrogen bonds defined for protein. 11778 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: 57.42 Time building geometry restraints manager: 37.19 seconds NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Histogram of bond lengths: 1.17 - 4.21: 119501 4.21 - 7.25: 0 7.25 - 10.28: 0 10.28 - 13.32: 0 13.32 - 16.36: 4 Warning: very large bond lengths. Bond restraints: 119505 Sorted by residual: bond pdb="C313 POV C5107 " pdb="C314 POV C5107 " ideal model delta sigma weight residual 1.524 16.359 -14.835 2.00e-02 2.50e+03 5.50e+05 bond pdb="C313 POV A5105 " pdb="C314 POV A5105 " ideal model delta sigma weight residual 1.524 16.359 -14.835 2.00e-02 2.50e+03 5.50e+05 bond pdb="C313 POV B5105 " pdb="C314 POV B5105 " ideal model delta sigma weight residual 1.524 16.358 -14.834 2.00e-02 2.50e+03 5.50e+05 bond pdb="C313 POV C5105 " pdb="C314 POV C5105 " ideal model delta sigma weight residual 1.524 16.358 -14.834 2.00e-02 2.50e+03 5.50e+05 bond pdb=" C32 POV A5105 " pdb=" C33 POV A5105 " ideal model delta sigma weight residual 1.518 1.259 0.259 2.00e-02 2.50e+03 1.68e+02 ... (remaining 119500 not shown) Histogram of bond angle deviations from ideal: 22.80 - 45.54: 4 45.54 - 68.28: 0 68.28 - 91.02: 0 91.02 - 113.76: 69779 113.76 - 136.49: 93134 Bond angle restraints: 162917 Sorted by residual: angle pdb="C312 POV C5105 " pdb="C313 POV C5105 " pdb="C314 POV C5105 " ideal model delta sigma weight residual 112.99 22.80 90.19 3.00e+00 1.11e-01 9.04e+02 angle pdb="C312 POV B5105 " pdb="C313 POV B5105 " pdb="C314 POV B5105 " ideal model delta sigma weight residual 112.99 22.81 90.18 3.00e+00 1.11e-01 9.04e+02 angle pdb="C312 POV C5107 " pdb="C313 POV C5107 " pdb="C314 POV C5107 " ideal model delta sigma weight residual 112.99 22.84 90.15 3.00e+00 1.11e-01 9.03e+02 angle pdb="C312 POV A5105 " pdb="C313 POV A5105 " pdb="C314 POV A5105 " ideal model delta sigma weight residual 112.99 22.85 90.14 3.00e+00 1.11e-01 9.03e+02 angle pdb=" O ARG D1618 " pdb=" C ARG D1618 " pdb=" N ARG D1619 " ideal model delta sigma weight residual 123.33 100.89 22.44 1.13e+00 7.83e-01 3.94e+02 ... (remaining 162912 not shown) Histogram of dihedral angle deviations from ideal: 0.00 - 21.54: 66684 21.54 - 43.09: 4187 43.09 - 64.63: 475 64.63 - 86.17: 131 86.17 - 107.71: 20 Dihedral angle restraints: 71497 sinusoidal: 23297 harmonic: 48200 Sorted by residual: dihedral pdb=" CB CYS A4876 " pdb=" SG CYS A4876 " pdb=" SG CYS A4882 " pdb=" CB CYS A4882 " ideal model delta sinusoidal sigma weight residual -86.00 -5.48 -80.52 1 1.00e+01 1.00e-02 8.02e+01 dihedral pdb=" CB CYS C4876 " pdb=" SG CYS C4876 " pdb=" SG CYS C4882 " pdb=" CB CYS C4882 " ideal model delta sinusoidal sigma weight residual -86.00 -5.91 -80.09 1 1.00e+01 1.00e-02 7.95e+01 dihedral pdb=" CB CYS B4876 " pdb=" SG CYS B4876 " pdb=" SG CYS B4882 " pdb=" CB CYS B4882 " ideal model delta sinusoidal sigma weight residual -86.00 -6.30 -79.70 1 1.00e+01 1.00e-02 7.88e+01 ... (remaining 71494 not shown) Histogram of chiral volume deviations from ideal: 0.000 - 0.063: 17319 0.063 - 0.127: 1609 0.127 - 0.190: 78 0.190 - 0.253: 17 0.253 - 0.317: 10 Chirality restraints: 19033 Sorted by residual: chirality pdb=" C4' ACP A5104 " pdb=" C3' ACP A5104 " pdb=" C5' ACP A5104 " pdb=" O4' ACP A5104 " both_signs ideal model delta sigma weight residual False -2.51 -2.20 -0.32 2.00e-01 2.50e+01 2.51e+00 chirality pdb=" C4' ACP C5104 " pdb=" C3' ACP C5104 " pdb=" C5' ACP C5104 " pdb=" O4' ACP C5104 " both_signs ideal model delta sigma weight residual False -2.51 -2.20 -0.32 2.00e-01 2.50e+01 2.50e+00 chirality pdb=" C4' ACP B5104 " pdb=" C3' ACP B5104 " pdb=" C5' ACP B5104 " pdb=" O4' ACP B5104 " both_signs ideal model delta sigma weight residual False -2.51 -2.20 -0.32 2.00e-01 2.50e+01 2.50e+00 ... (remaining 19030 not shown) Planarity restraints: 21423 Sorted by residual: delta sigma weight rms_deltas residual plane pdb=" CA ARG D1618 " 0.094 2.00e-02 2.50e+03 1.66e-01 2.75e+02 pdb=" C ARG D1618 " -0.287 2.00e-02 2.50e+03 pdb=" O ARG D1618 " 0.106 2.00e-02 2.50e+03 pdb=" N ARG D1619 " 0.087 2.00e-02 2.50e+03 delta sigma weight rms_deltas residual plane pdb=" CA ARG C1618 " -0.065 2.00e-02 2.50e+03 1.26e-01 1.58e+02 pdb=" C ARG C1618 " 0.218 2.00e-02 2.50e+03 pdb=" O ARG C1618 " -0.079 2.00e-02 2.50e+03 pdb=" N ARG C1619 " -0.074 2.00e-02 2.50e+03 delta sigma weight rms_deltas residual plane pdb=" CA THR B1617 " 0.041 2.00e-02 2.50e+03 8.05e-02 6.48e+01 pdb=" C THR B1617 " -0.139 2.00e-02 2.50e+03 pdb=" O THR B1617 " 0.053 2.00e-02 2.50e+03 pdb=" N ARG B1618 " 0.045 2.00e-02 2.50e+03 ... (remaining 21420 not shown) Histogram of nonbonded interaction distances: 0.83 - 1.64: 10 1.64 - 2.46: 348 2.46 - 3.27: 126019 3.27 - 4.09: 259608 4.09 - 4.90: 456942 Warning: very small nonbonded interaction distances. Nonbonded interactions: 842927 Sorted by model distance: nonbonded pdb=" O LEU A2867 " pdb=" NE2 GLN A2872 " model vdw 0.831 2.520 nonbonded pdb=" C2 POV B5105 " pdb="C314 POV B5105 " model vdw 1.413 3.870 nonbonded pdb=" C2 POV A5105 " pdb="C314 POV A5105 " model vdw 1.413 3.870 nonbonded pdb=" C2 POV C5105 " pdb="C314 POV C5105 " model vdw 1.413 3.870 nonbonded pdb=" C2 POV C5107 " pdb="C314 POV C5107 " model vdw 1.413 3.870 ... (remaining 842922 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 622 or (resid 623 and (name N or name CA or nam \ e C or name O or name CB )) or resid 624 through 819 or (resid 820 and (name N o \ r name CA or name C or name O or name CB )) or resid 821 through 1785 or (resid \ 1786 through 1794 and (name N or name CA or name C or name O or name CB )) or re \ sid 1795 through 1796 or (resid 1797 and (name N or name CA or name C or name O \ or name CB )) or resid 1798 through 2875 or (resid 2876 and (name N or name CA o \ r name C or name O or name CB )) or resid 2877 through 5037 or resid 5101 throug \ h 5105)) selection = (chain 'B' and (resid 12 through 622 or (resid 623 and (name N or name CA or nam \ e C or name O or name CB )) or resid 624 through 819 or (resid 820 and (name N o \ r name CA or name C or name O or name CB )) or resid 821 through 1785 or (resid \ 1786 through 1794 and (name N or name CA or name C or name O or name CB )) or re \ sid 1795 through 1796 or (resid 1797 and (name N or name CA or name C or name O \ or name CB )) or resid 1798 through 2815 or (resid 2867 and (name N or name CA o \ r name C or name O or name CB )) or resid 2868 through 5037 or resid 5101 throug \ h 5105)) selection = (chain 'C' and (resid 12 through 622 or (resid 623 and (name N or name CA or nam \ e C or name O or name CB )) or resid 624 through 819 or (resid 820 and (name N o \ r name CA or name C or name O or name CB )) or resid 821 through 1785 or (resid \ 1786 through 1794 and (name N or name CA or name C or name O or name CB )) or re \ sid 1795 through 2815 or (resid 2867 and (name N or name CA or name C or name O \ or name CB )) or resid 2868 through 2875 or (resid 2876 and (name N or name CA o \ r name C or name O or name CB )) or resid 2877 through 5037 or resid 5101 throug \ h 5105)) selection = (chain 'D' and (resid 12 through 2875 or (resid 2876 and (name N or name CA or n \ ame C or name O or name CB )) or resid 2877 through 5037 or resid 5101 through 5 \ 104 or (resid 5105 and (name C2 or name C3 or name C31 or name C32 or name C33 o \ r name C34 or name C35 or name C36 or name C37 or name C38 or name C39 or name C \ 310 or name C311 or name C312 or name C313 or name C314)))) } Set up NCS constraints No NCS constraints will be used in refinement. Set refine NCS operators Adjust number of macro_cycles Number of macro_cycles: 10 Reset NCS operators Extract rigid body selections Check and reset occupancies Occupancies: min=1.00 max=1.00 mean=1.00 Load rotamer database and sin/cos tables Set ADP refinement strategy ADPs will be refined as group one per residue Make a string to write initial .geo file Internal consistency checks Time: Set random seed: 0.000 Set model cs if undefined: 0.000 Decide on map wrapping: 0.000 Normalize map: mean=0, sd=1: 3.570 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: 0.080 Extract box with map and model: 19.590 Check model and map are aligned: 1.270 Set scattering table: 0.800 Process input model: 269.310 Find NCS groups from input model: 10.220 Set up NCS constraints: 0.600 Set refine NCS operators: 0.000 Adjust number of macro_cycles: 0.000 Reset NCS operators: 0.000 Extract rigid body selections: 0.000 Check and reset occupancies: 0.010 Load rotamer database and sin/cos tables:2.490 Set ADP refinement strategy: 0.000 Make a string to write initial .geo file:0.000 Internal consistency checks: 0.000 Total: 307.940 ------------------------------------------------------------------------------- Set refinement monitor ********************** ------------------------------------------------------------------------------- Setup refinement engine *********************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7762 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 : 0.086 14.835 119505 Z= 4.673 Angle : 0.814 90.191 162917 Z= 0.397 Chirality : 0.038 0.317 19033 Planarity : 0.004 0.166 21423 Dihedral : 14.101 107.713 40125 Min Nonbonded Distance : 0.831 Molprobity Statistics. All-atom Clashscore : 7.84 Ramachandran Plot: Outliers : 0.05 % Allowed : 6.57 % Favored : 93.38 % Rotamer: Outliers : 0.28 % Allowed : 0.38 % Favored : 99.34 % Cbeta Deviations : 0.01 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -0.49 (0.07), residues: 12808 helix: 0.95 (0.07), residues: 5664 sheet: -0.11 (0.16), residues: 996 loop : -1.63 (0.07), residues: 6148 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.023 0.001 TRP C 722 HIS 0.013 0.001 HIS C4803 PHE 0.044 0.001 PHE C4922 TYR 0.031 0.001 TYR D5009 ARG 0.010 0.000 ARG D 758 *********************** REFINEMENT MACRO_CYCLE 1 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 25616 Ramachandran restraints generated. 12808 Oldfield, 0 Emsley, 12808 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 25616 Ramachandran restraints generated. 12808 Oldfield, 0 Emsley, 12808 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1051 residues out of total 11248 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 28 poor density : 1023 time to evaluate : 8.663 Fit side-chains revert: symmetry clash revert: symmetry clash REVERT: A 675 LEU cc_start: 0.5478 (tp) cc_final: 0.5219 (tp) REVERT: A 2209 GLU cc_start: 0.8555 (tp30) cc_final: 0.8351 (mm-30) REVERT: A 2932 MET cc_start: 0.4872 (mpp) cc_final: 0.4625 (mpp) REVERT: C 439 GLU cc_start: 0.8322 (tp30) cc_final: 0.8096 (tp30) REVERT: C 675 LEU cc_start: 0.5466 (tp) cc_final: 0.5174 (tp) REVERT: C 2209 GLU cc_start: 0.8569 (tp30) cc_final: 0.8367 (mm-30) REVERT: C 2874 MET cc_start: 0.5440 (mpp) cc_final: 0.5193 (mpp) REVERT: C 2932 MET cc_start: 0.5044 (mpp) cc_final: 0.4789 (mpp) REVERT: C 4120 ASN cc_start: 0.7441 (t0) cc_final: 0.7021 (p0) REVERT: C 4875 LYS cc_start: 0.6951 (mptt) cc_final: 0.6515 (mmtm) REVERT: D 675 LEU cc_start: 0.5453 (tp) cc_final: 0.5170 (tp) REVERT: D 1814 MET cc_start: 0.8936 (mtp) cc_final: 0.8729 (mtp) REVERT: D 2209 GLU cc_start: 0.8556 (tp30) cc_final: 0.8345 (mm-30) REVERT: D 2874 MET cc_start: 0.5474 (mpp) cc_final: 0.5221 (mpp) REVERT: D 2932 MET cc_start: 0.5054 (mpp) cc_final: 0.4797 (mpp) REVERT: D 4120 ASN cc_start: 0.7424 (t0) cc_final: 0.7017 (p0) REVERT: D 4564 PHE cc_start: 0.8289 (t80) cc_final: 0.7977 (t80) REVERT: D 4875 LYS cc_start: 0.6887 (mptt) cc_final: 0.6581 (mmtm) REVERT: B 675 LEU cc_start: 0.5499 (tp) cc_final: 0.5219 (tp) REVERT: B 2209 GLU cc_start: 0.8522 (tp30) cc_final: 0.8316 (mm-30) REVERT: B 2932 MET cc_start: 0.4834 (mpp) cc_final: 0.4623 (mpp) REVERT: B 3781 GLN cc_start: 0.8987 (OUTLIER) cc_final: 0.8309 (mt0) REVERT: B 4120 ASN cc_start: 0.7425 (t0) cc_final: 0.7007 (p0) outliers start: 28 outliers final: 13 residues processed: 1049 average time/residue: 0.9484 time to fit residues: 1804.5499 Evaluate side-chains 812 residues out of total 11248 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 14 poor density : 798 time to evaluate : 8.575 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 4631 PHE Chi-restraints excluded: chain A residue 4853 VAL Chi-restraints excluded: chain A residue 4891 VAL Chi-restraints excluded: chain C residue 1786 LEU Chi-restraints excluded: chain C residue 4631 PHE Chi-restraints excluded: chain C residue 4853 VAL Chi-restraints excluded: chain C residue 4859 PHE Chi-restraints excluded: chain C residue 4861 LYS Chi-restraints excluded: chain D residue 4631 PHE Chi-restraints excluded: chain D residue 4853 VAL Chi-restraints excluded: chain D residue 4891 VAL Chi-restraints excluded: chain B residue 3781 GLN Chi-restraints excluded: chain B residue 4631 PHE Chi-restraints excluded: chain B residue 4853 VAL Rotamers are restrained with sigma=5.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 0 random chunks: chunk None optimal weight: 7.9990 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 473 ASN A 495 ASN A 582 HIS A 597 HIS ** A 617 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 658 GLN ** A 720 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 735 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 765 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A 812 HIS ** A 921 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 963 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A1206 GLN A1220 GLN ** A1254 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A1693 GLN A1702 HIS A1775 HIS ** A1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A2184 ASN ** A2194 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A2204 HIS A2420 HIS ** A2441 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2734 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A2884 ASN ** A3667 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3767 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A3814 GLN ** A3830 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A3837 GLN A4100 GLN A4162 ASN A4204 GLN A4700 GLN ** A4714 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A4776 GLN ** A4857 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4947 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 151 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C 156 GLN C 473 ASN C 495 ASN ** C 520 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 582 HIS C 597 HIS ** C 617 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 658 GLN ** C 720 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 735 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 765 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 812 HIS ** C 921 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 963 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 974 HIS ** C1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C1220 GLN ** C1254 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1683 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C1693 GLN C1702 HIS C1775 HIS C1952 GLN C1953 HIS C2125 HIS ** C2169 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C2184 ASN ** C2194 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C2204 HIS C2420 HIS ** C2441 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2734 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C2884 ASN ** C3667 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3699 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C3704 HIS ** C3767 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C3781 GLN C3814 GLN ** C3830 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C3837 GLN C4100 GLN C4162 ASN C4204 GLN C4700 GLN ** C4714 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C4776 GLN ** C4947 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C4984 ASN D 473 ASN D 495 ASN ** D 520 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D 597 HIS ** D 617 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D 624 ASN D 658 GLN ** D 720 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 735 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 765 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D 812 HIS ** D 921 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 963 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D 974 HIS ** D1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D1220 GLN ** D1254 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1683 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D1693 GLN D1702 HIS D1775 HIS D1952 GLN D1953 HIS D2125 HIS ** D2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2169 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D2184 ASN ** D2194 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D2204 HIS D2420 HIS ** D2441 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2734 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D2884 ASN ** D3667 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D3704 HIS ** D3767 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D3781 GLN D3814 GLN ** D3830 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D3837 GLN D4100 GLN D4204 GLN D4700 GLN ** D4714 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D4776 GLN D4886 HIS ** D4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B 151 HIS B 156 GLN B 460 GLN B 473 ASN B 495 ASN ** B 520 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B 597 HIS ** B 617 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B 624 ASN B 658 GLN ** B 720 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 735 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 765 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 812 HIS ** B 879 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 921 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 963 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B 974 HIS ** B1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B1206 GLN ** B1220 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1254 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B1693 GLN B1702 HIS B1775 HIS B1952 GLN B1953 HIS B2125 HIS ** B2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2194 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B2204 HIS B2420 HIS ** B2441 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2734 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B2884 ASN ** B3667 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3767 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B3814 GLN ** B3830 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B3837 GLN B4100 GLN B4162 ASN B4204 GLN B4700 GLN ** B4714 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B4776 GLN B4886 HIS ** B4947 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 106 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8373 moved from start: 0.6131 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.057 0.434 119505 Z= 3.626 Angle : 3.125 36.090 162917 Z= 1.590 Chirality : 0.159 0.762 19033 Planarity : 0.021 0.238 21423 Dihedral : 12.843 161.032 17826 Min Nonbonded Distance : 1.574 Molprobity Statistics. All-atom Clashscore : 76.36 Ramachandran Plot: Outliers : 3.18 % Allowed : 19.44 % Favored : 77.38 % Rotamer: Outliers : 13.34 % Allowed : 20.80 % Favored : 65.86 % Cbeta Deviations : 0.52 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 4.28 % Twisted General : 1.48 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -5.82 (0.05), residues: 12808 helix: -3.98 (0.04), residues: 5580 sheet: -2.61 (0.13), residues: 1300 loop : -4.03 (0.06), residues: 5928 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.114 0.014 TRP A5011 HIS 0.052 0.009 HIS B4983 PHE 0.131 0.014 PHE B4991 TYR 0.100 0.013 TYR A4804 ARG 0.032 0.004 ARG C 758 *********************** REFINEMENT MACRO_CYCLE 2 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 25616 Ramachandran restraints generated. 12808 Oldfield, 0 Emsley, 12808 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 25616 Ramachandran restraints generated. 12808 Oldfield, 0 Emsley, 12808 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1962 residues out of total 11248 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 1340 poor density : 622 time to evaluate : 8.703 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 69 LEU cc_start: 0.8942 (OUTLIER) cc_final: 0.8734 (pt) REVERT: A 169 LEU cc_start: 0.8455 (OUTLIER) cc_final: 0.8240 (pp) REVERT: A 196 MET cc_start: 0.9117 (mmm) cc_final: 0.8911 (tpp) REVERT: A 359 TYR cc_start: 0.8241 (OUTLIER) cc_final: 0.7560 (p90) REVERT: A 403 MET cc_start: 0.8803 (mtp) cc_final: 0.8371 (mtp) REVERT: A 553 ARG cc_start: 0.8353 (tmt-80) cc_final: 0.7889 (tmt-80) REVERT: A 634 GLN cc_start: 0.9149 (OUTLIER) cc_final: 0.8416 (mp10) REVERT: A 659 TYR cc_start: 0.5215 (OUTLIER) cc_final: 0.4806 (m-80) REVERT: A 674 PHE cc_start: 0.8003 (OUTLIER) cc_final: 0.7535 (t80) REVERT: A 1114 GLU cc_start: 0.8667 (OUTLIER) cc_final: 0.8353 (mm-30) REVERT: A 1141 ARG cc_start: 0.8847 (OUTLIER) cc_final: 0.7960 (ptm-80) REVERT: A 1152 MET cc_start: 0.8583 (OUTLIER) cc_final: 0.8321 (mtm) REVERT: A 1169 LEU cc_start: 0.8679 (OUTLIER) cc_final: 0.8438 (mm) REVERT: A 1204 LEU cc_start: 0.9201 (OUTLIER) cc_final: 0.8873 (mm) REVERT: A 1255 TYR cc_start: 0.8794 (OUTLIER) cc_final: 0.7438 (m-80) REVERT: A 1653 LEU cc_start: 0.9507 (OUTLIER) cc_final: 0.9206 (mp) REVERT: A 1655 GLU cc_start: 0.8748 (OUTLIER) cc_final: 0.7886 (tm-30) REVERT: A 1703 LEU cc_start: 0.9562 (OUTLIER) cc_final: 0.9274 (mt) REVERT: A 1738 LEU cc_start: 0.9082 (OUTLIER) cc_final: 0.8853 (mm) REVERT: A 1939 MET cc_start: 0.9094 (mmm) cc_final: 0.8749 (mmm) REVERT: A 1948 ASP cc_start: 0.9435 (OUTLIER) cc_final: 0.9180 (t0) REVERT: A 2191 PHE cc_start: 0.9277 (OUTLIER) cc_final: 0.8618 (t80) REVERT: A 2364 PHE cc_start: 0.7489 (OUTLIER) cc_final: 0.6618 (m-80) REVERT: A 2418 LEU cc_start: 0.7998 (OUTLIER) cc_final: 0.7550 (tt) REVERT: A 2751 LEU cc_start: 0.6186 (OUTLIER) cc_final: 0.5945 (tt) REVERT: A 2790 MET cc_start: -0.0480 (OUTLIER) cc_final: -0.1447 (tpt) REVERT: A 2874 MET cc_start: 0.4773 (mpp) cc_final: 0.4560 (mpp) REVERT: A 2932 MET cc_start: 0.5899 (mpp) cc_final: 0.5684 (mpp) REVERT: A 3647 HIS cc_start: 0.8151 (OUTLIER) cc_final: 0.7470 (p90) REVERT: A 3677 LEU cc_start: 0.9283 (OUTLIER) cc_final: 0.8967 (mp) REVERT: A 3805 LEU cc_start: 0.9582 (OUTLIER) cc_final: 0.9272 (pp) REVERT: A 3886 ARG cc_start: 0.9343 (OUTLIER) cc_final: 0.8383 (tpt170) REVERT: A 4026 MET cc_start: 0.9303 (tmm) cc_final: 0.8997 (ttt) REVERT: A 4054 ASN cc_start: 0.9064 (OUTLIER) cc_final: 0.8543 (m-40) REVERT: A 4071 ILE cc_start: 0.9142 (OUTLIER) cc_final: 0.8683 (tt) REVERT: A 4097 MET cc_start: 0.9060 (OUTLIER) cc_final: 0.8541 (mpp) REVERT: A 4100 GLN cc_start: 0.9474 (OUTLIER) cc_final: 0.8042 (mt0) REVERT: A 4108 ILE cc_start: 0.9150 (OUTLIER) cc_final: 0.8910 (mm) REVERT: A 4132 PHE cc_start: 0.8740 (OUTLIER) cc_final: 0.8202 (m-10) REVERT: A 4732 PHE cc_start: 0.9184 (OUTLIER) cc_final: 0.8871 (m-80) REVERT: A 4736 ARG cc_start: 0.9089 (OUTLIER) cc_final: 0.8463 (mtp85) REVERT: A 4839 MET cc_start: 0.8980 (mmm) cc_final: 0.8751 (mmt) REVERT: A 4918 ILE cc_start: 0.9569 (OUTLIER) cc_final: 0.9319 (tp) REVERT: A 4945 ASP cc_start: 0.9175 (OUTLIER) cc_final: 0.8974 (t0) REVERT: A 4953 ASP cc_start: 0.9036 (OUTLIER) cc_final: 0.8753 (t0) REVERT: A 5002 GLU cc_start: 0.9487 (OUTLIER) cc_final: 0.9207 (mp0) REVERT: C 69 LEU cc_start: 0.8936 (OUTLIER) cc_final: 0.8734 (pt) REVERT: C 169 LEU cc_start: 0.8471 (OUTLIER) cc_final: 0.8262 (pp) REVERT: C 196 MET cc_start: 0.8841 (tpp) cc_final: 0.8602 (mmm) REVERT: C 359 TYR cc_start: 0.8230 (OUTLIER) cc_final: 0.7610 (p90) REVERT: C 403 MET cc_start: 0.8801 (mtp) cc_final: 0.8373 (mtp) REVERT: C 553 ARG cc_start: 0.8502 (OUTLIER) cc_final: 0.8291 (ttp80) REVERT: C 581 ASN cc_start: 0.7927 (OUTLIER) cc_final: 0.7687 (p0) REVERT: C 634 GLN cc_start: 0.9146 (OUTLIER) cc_final: 0.8409 (mp10) REVERT: C 659 TYR cc_start: 0.5232 (OUTLIER) cc_final: 0.4820 (m-80) REVERT: C 674 PHE cc_start: 0.8038 (OUTLIER) cc_final: 0.7540 (t80) REVERT: C 1114 GLU cc_start: 0.8745 (OUTLIER) cc_final: 0.8451 (mm-30) REVERT: C 1141 ARG cc_start: 0.8841 (OUTLIER) cc_final: 0.7961 (ptm-80) REVERT: C 1152 MET cc_start: 0.8608 (OUTLIER) cc_final: 0.8341 (mtm) REVERT: C 1204 LEU cc_start: 0.9194 (OUTLIER) cc_final: 0.8863 (mm) REVERT: C 1255 TYR cc_start: 0.8789 (OUTLIER) cc_final: 0.7431 (m-80) REVERT: C 1653 LEU cc_start: 0.9500 (OUTLIER) cc_final: 0.9200 (mp) REVERT: C 1655 GLU cc_start: 0.8753 (OUTLIER) cc_final: 0.7902 (tm-30) REVERT: C 1703 LEU cc_start: 0.9547 (OUTLIER) cc_final: 0.9223 (mt) REVERT: C 1738 LEU cc_start: 0.9067 (OUTLIER) cc_final: 0.8857 (mm) REVERT: C 1939 MET cc_start: 0.9105 (mmm) cc_final: 0.8761 (mmm) REVERT: C 1948 ASP cc_start: 0.9433 (OUTLIER) cc_final: 0.9189 (t0) REVERT: C 2191 PHE cc_start: 0.9291 (OUTLIER) cc_final: 0.8745 (t80) REVERT: C 2364 PHE cc_start: 0.7518 (OUTLIER) cc_final: 0.6679 (m-80) REVERT: C 2418 LEU cc_start: 0.8022 (OUTLIER) cc_final: 0.7573 (tt) REVERT: C 2751 LEU cc_start: 0.6198 (OUTLIER) cc_final: 0.5955 (tt) REVERT: C 2790 MET cc_start: -0.0408 (OUTLIER) cc_final: -0.1425 (tpt) REVERT: C 2874 MET cc_start: 0.4878 (mpp) cc_final: 0.4509 (mpp) REVERT: C 2932 MET cc_start: 0.5902 (mpp) cc_final: 0.5698 (mpp) REVERT: C 3647 HIS cc_start: 0.8149 (OUTLIER) cc_final: 0.7478 (p90) REVERT: C 3673 MET cc_start: 0.8629 (ttt) cc_final: 0.8372 (ttt) REVERT: C 3677 LEU cc_start: 0.9284 (OUTLIER) cc_final: 0.8965 (mp) REVERT: C 3805 LEU cc_start: 0.9549 (OUTLIER) cc_final: 0.9229 (pp) REVERT: C 3886 ARG cc_start: 0.9249 (OUTLIER) cc_final: 0.8220 (tpt90) REVERT: C 4026 MET cc_start: 0.9301 (tmm) cc_final: 0.9003 (ttt) REVERT: C 4054 ASN cc_start: 0.9057 (OUTLIER) cc_final: 0.8548 (m-40) REVERT: C 4071 ILE cc_start: 0.9159 (OUTLIER) cc_final: 0.8666 (tt) REVERT: C 4097 MET cc_start: 0.9021 (OUTLIER) cc_final: 0.8492 (mpp) REVERT: C 4100 GLN cc_start: 0.9439 (OUTLIER) cc_final: 0.8126 (mt0) REVERT: C 4108 ILE cc_start: 0.9202 (OUTLIER) cc_final: 0.8973 (mm) REVERT: C 4132 PHE cc_start: 0.8750 (OUTLIER) cc_final: 0.8219 (m-10) REVERT: C 4577 LEU cc_start: 0.9012 (OUTLIER) cc_final: 0.8552 (tt) REVERT: C 4639 MET cc_start: 0.6530 (OUTLIER) cc_final: 0.5955 (tmm) REVERT: C 4732 PHE cc_start: 0.9189 (OUTLIER) cc_final: 0.8871 (m-80) REVERT: C 4736 ARG cc_start: 0.9107 (OUTLIER) cc_final: 0.8478 (mtp85) REVERT: C 4839 MET cc_start: 0.9021 (mmm) cc_final: 0.8804 (mmm) REVERT: C 4875 LYS cc_start: 0.8215 (mptt) cc_final: 0.7955 (mmtm) REVERT: C 4913 ARG cc_start: 0.8838 (OUTLIER) cc_final: 0.7872 (tpt90) REVERT: C 4953 ASP cc_start: 0.9067 (OUTLIER) cc_final: 0.8723 (t0) REVERT: C 5002 GLU cc_start: 0.9487 (OUTLIER) cc_final: 0.9204 (mp0) REVERT: D 169 LEU cc_start: 0.8508 (OUTLIER) cc_final: 0.8298 (pp) REVERT: D 196 MET cc_start: 0.9072 (mmm) cc_final: 0.8801 (tpp) REVERT: D 359 TYR cc_start: 0.8253 (OUTLIER) cc_final: 0.7476 (p90) REVERT: D 403 MET cc_start: 0.8796 (mtp) cc_final: 0.8362 (mtp) REVERT: D 553 ARG cc_start: 0.8386 (tmt-80) cc_final: 0.7922 (tmt-80) REVERT: D 634 GLN cc_start: 0.9153 (OUTLIER) cc_final: 0.8414 (mp10) REVERT: D 659 TYR cc_start: 0.5258 (OUTLIER) cc_final: 0.4837 (m-80) REVERT: D 674 PHE cc_start: 0.7993 (OUTLIER) cc_final: 0.7492 (t80) REVERT: D 1114 GLU cc_start: 0.8684 (OUTLIER) cc_final: 0.8369 (mm-30) REVERT: D 1141 ARG cc_start: 0.8827 (OUTLIER) cc_final: 0.7927 (ptm-80) REVERT: D 1152 MET cc_start: 0.8620 (OUTLIER) cc_final: 0.8365 (mtm) REVERT: D 1204 LEU cc_start: 0.9192 (OUTLIER) cc_final: 0.8861 (mm) REVERT: D 1255 TYR cc_start: 0.8800 (OUTLIER) cc_final: 0.7442 (m-80) REVERT: D 1653 LEU cc_start: 0.9502 (OUTLIER) cc_final: 0.9141 (mp) REVERT: D 1703 LEU cc_start: 0.9555 (OUTLIER) cc_final: 0.9277 (mt) REVERT: D 1738 LEU cc_start: 0.9083 (OUTLIER) cc_final: 0.8850 (mm) REVERT: D 1798 LEU cc_start: 0.9009 (OUTLIER) cc_final: 0.8742 (mt) REVERT: D 1939 MET cc_start: 0.9088 (mmm) cc_final: 0.8749 (mmm) REVERT: D 2191 PHE cc_start: 0.9285 (OUTLIER) cc_final: 0.8640 (t80) REVERT: D 2364 PHE cc_start: 0.7582 (OUTLIER) cc_final: 0.6766 (m-80) REVERT: D 2418 LEU cc_start: 0.7986 (OUTLIER) cc_final: 0.7541 (tt) REVERT: D 2751 LEU cc_start: 0.6241 (OUTLIER) cc_final: 0.6001 (tt) REVERT: D 2790 MET cc_start: -0.0528 (OUTLIER) cc_final: -0.1521 (tpt) REVERT: D 2874 MET cc_start: 0.4808 (mpp) cc_final: 0.4404 (mpp) REVERT: D 2932 MET cc_start: 0.5924 (mpp) cc_final: 0.5710 (mpp) REVERT: D 3647 HIS cc_start: 0.8180 (OUTLIER) cc_final: 0.7521 (p90) REVERT: D 3648 ARG cc_start: 0.8480 (OUTLIER) cc_final: 0.8204 (ttp-110) REVERT: D 3805 LEU cc_start: 0.9551 (OUTLIER) cc_final: 0.9246 (pp) REVERT: D 3886 ARG cc_start: 0.9248 (OUTLIER) cc_final: 0.8215 (tpt90) REVERT: D 4026 MET cc_start: 0.9309 (tmm) cc_final: 0.9056 (ttt) REVERT: D 4054 ASN cc_start: 0.9088 (OUTLIER) cc_final: 0.8590 (m-40) REVERT: D 4071 ILE cc_start: 0.9170 (OUTLIER) cc_final: 0.8673 (tt) REVERT: D 4097 MET cc_start: 0.9043 (OUTLIER) cc_final: 0.8579 (mpp) REVERT: D 4100 GLN cc_start: 0.9439 (OUTLIER) cc_final: 0.8116 (mt0) REVERT: D 4108 ILE cc_start: 0.9211 (OUTLIER) cc_final: 0.8991 (mm) REVERT: D 4110 PHE cc_start: 0.9057 (OUTLIER) cc_final: 0.8778 (t80) REVERT: D 4132 PHE cc_start: 0.8750 (OUTLIER) cc_final: 0.8202 (m-10) REVERT: D 4577 LEU cc_start: 0.9009 (OUTLIER) cc_final: 0.8547 (tt) REVERT: D 4639 MET cc_start: 0.7000 (ttp) cc_final: 0.5809 (tmm) REVERT: D 4732 PHE cc_start: 0.9158 (OUTLIER) cc_final: 0.8824 (m-80) REVERT: D 4736 ARG cc_start: 0.9031 (OUTLIER) cc_final: 0.8406 (mtp85) REVERT: D 4839 MET cc_start: 0.8985 (mmm) cc_final: 0.8754 (mmt) REVERT: D 4875 LYS cc_start: 0.8179 (mptt) cc_final: 0.7922 (mmtm) REVERT: D 4953 ASP cc_start: 0.9030 (OUTLIER) cc_final: 0.8746 (t0) REVERT: D 5002 GLU cc_start: 0.9498 (OUTLIER) cc_final: 0.9220 (mp0) REVERT: B 69 LEU cc_start: 0.8939 (OUTLIER) cc_final: 0.8720 (pt) REVERT: B 169 LEU cc_start: 0.8455 (OUTLIER) cc_final: 0.8255 (pp) REVERT: B 359 TYR cc_start: 0.8239 (OUTLIER) cc_final: 0.7649 (p90) REVERT: B 403 MET cc_start: 0.8807 (mtp) cc_final: 0.8376 (mtp) REVERT: B 634 GLN cc_start: 0.9144 (OUTLIER) cc_final: 0.8351 (mp10) REVERT: B 659 TYR cc_start: 0.5193 (OUTLIER) cc_final: 0.4774 (m-80) REVERT: B 674 PHE cc_start: 0.8036 (OUTLIER) cc_final: 0.7528 (t80) REVERT: B 1114 GLU cc_start: 0.8681 (OUTLIER) cc_final: 0.8365 (mm-30) REVERT: B 1141 ARG cc_start: 0.8832 (OUTLIER) cc_final: 0.7939 (ptm-80) REVERT: B 1152 MET cc_start: 0.8569 (OUTLIER) cc_final: 0.8309 (mtm) REVERT: B 1204 LEU cc_start: 0.9181 (OUTLIER) cc_final: 0.8855 (mm) REVERT: B 1255 TYR cc_start: 0.8802 (OUTLIER) cc_final: 0.7424 (m-80) REVERT: B 1653 LEU cc_start: 0.9513 (OUTLIER) cc_final: 0.9160 (mp) REVERT: B 1703 LEU cc_start: 0.9550 (OUTLIER) cc_final: 0.9255 (mt) REVERT: B 1738 LEU cc_start: 0.9058 (OUTLIER) cc_final: 0.8819 (mm) REVERT: B 1939 MET cc_start: 0.9110 (mmm) cc_final: 0.8771 (mmm) REVERT: B 1948 ASP cc_start: 0.9441 (OUTLIER) cc_final: 0.9187 (t0) REVERT: B 2191 PHE cc_start: 0.9286 (OUTLIER) cc_final: 0.8634 (t80) REVERT: B 2364 PHE cc_start: 0.7532 (OUTLIER) cc_final: 0.6689 (m-80) REVERT: B 2418 LEU cc_start: 0.7979 (OUTLIER) cc_final: 0.7530 (tt) REVERT: B 2751 LEU cc_start: 0.6245 (OUTLIER) cc_final: 0.6004 (tt) REVERT: B 2790 MET cc_start: -0.0479 (OUTLIER) cc_final: -0.1449 (tpt) REVERT: B 2932 MET cc_start: 0.5891 (mpp) cc_final: 0.5685 (mpp) REVERT: B 3647 HIS cc_start: 0.8147 (OUTLIER) cc_final: 0.7472 (p90) REVERT: B 3677 LEU cc_start: 0.9329 (OUTLIER) cc_final: 0.9026 (mp) REVERT: B 3805 LEU cc_start: 0.9556 (OUTLIER) cc_final: 0.9242 (pp) REVERT: B 3886 ARG cc_start: 0.9274 (OUTLIER) cc_final: 0.8251 (tpt90) REVERT: B 4026 MET cc_start: 0.9307 (tmm) cc_final: 0.9003 (ttt) REVERT: B 4054 ASN cc_start: 0.9090 (OUTLIER) cc_final: 0.8584 (m-40) REVERT: B 4071 ILE cc_start: 0.9165 (OUTLIER) cc_final: 0.8660 (tt) REVERT: B 4097 MET cc_start: 0.9038 (OUTLIER) cc_final: 0.8518 (mpp) REVERT: B 4100 GLN cc_start: 0.9442 (OUTLIER) cc_final: 0.8121 (mt0) REVERT: B 4108 ILE cc_start: 0.9220 (OUTLIER) cc_final: 0.9002 (mm) REVERT: B 4110 PHE cc_start: 0.9056 (OUTLIER) cc_final: 0.8780 (t80) REVERT: B 4132 PHE cc_start: 0.8749 (OUTLIER) cc_final: 0.8209 (m-10) REVERT: B 4577 LEU cc_start: 0.9000 (OUTLIER) cc_final: 0.8559 (tt) REVERT: B 4639 MET cc_start: 0.6986 (ttp) cc_final: 0.5811 (tmm) REVERT: B 4732 PHE cc_start: 0.9187 (OUTLIER) cc_final: 0.8869 (m-80) REVERT: B 4736 ARG cc_start: 0.9083 (OUTLIER) cc_final: 0.8465 (mtp85) REVERT: B 4839 MET cc_start: 0.8968 (mmm) cc_final: 0.8735 (mmt) REVERT: B 4953 ASP cc_start: 0.9036 (OUTLIER) cc_final: 0.8712 (t0) REVERT: B 5002 GLU cc_start: 0.9493 (OUTLIER) cc_final: 0.9204 (mp0) outliers start: 1340 outliers final: 771 residues processed: 1838 average time/residue: 0.9402 time to fit residues: 3142.5401 Evaluate side-chains 1508 residues out of total 11248 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 920 poor density : 588 time to evaluate : 8.903 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 17 ASP Chi-restraints excluded: chain A residue 20 VAL Chi-restraints excluded: chain A residue 68 THR Chi-restraints excluded: chain A residue 69 LEU Chi-restraints excluded: chain A residue 71 GLN Chi-restraints excluded: chain A residue 75 VAL Chi-restraints excluded: chain A residue 81 MET Chi-restraints excluded: chain A residue 107 ILE Chi-restraints excluded: chain A residue 114 SER Chi-restraints excluded: chain A residue 119 SER Chi-restraints excluded: chain A residue 124 SER Chi-restraints excluded: chain A residue 134 ASP Chi-restraints excluded: chain A residue 144 GLU Chi-restraints excluded: chain A residue 149 THR Chi-restraints excluded: chain A residue 154 SER Chi-restraints excluded: chain A residue 169 LEU Chi-restraints excluded: chain A residue 206 CYS Chi-restraints excluded: chain A residue 215 THR Chi-restraints excluded: chain A residue 219 VAL Chi-restraints excluded: chain A residue 222 LEU Chi-restraints excluded: chain A residue 260 TRP Chi-restraints excluded: chain A residue 285 VAL Chi-restraints excluded: chain A residue 286 THR Chi-restraints excluded: chain A residue 312 THR Chi-restraints excluded: chain A residue 315 CYS Chi-restraints excluded: chain A residue 320 LYS Chi-restraints excluded: chain A residue 359 TYR Chi-restraints excluded: chain A residue 373 LYS Chi-restraints excluded: chain A residue 389 PHE Chi-restraints excluded: chain A residue 448 LEU Chi-restraints excluded: chain A residue 459 LEU Chi-restraints excluded: chain A residue 478 PHE Chi-restraints excluded: chain A residue 497 TYR Chi-restraints excluded: chain A residue 510 GLU Chi-restraints excluded: chain A residue 542 THR Chi-restraints excluded: chain A residue 578 ILE Chi-restraints excluded: chain A residue 600 LEU Chi-restraints excluded: chain A residue 614 VAL Chi-restraints excluded: chain A residue 616 SER Chi-restraints excluded: chain A residue 622 THR Chi-restraints excluded: chain A residue 626 LEU Chi-restraints excluded: chain A residue 634 GLN Chi-restraints excluded: chain A residue 641 VAL Chi-restraints excluded: chain A residue 659 TYR Chi-restraints excluded: chain A residue 668 VAL Chi-restraints excluded: chain A residue 671 VAL Chi-restraints excluded: chain A residue 674 PHE Chi-restraints excluded: chain A residue 682 LEU Chi-restraints excluded: chain A residue 684 VAL Chi-restraints excluded: chain A residue 692 TYR Chi-restraints excluded: chain A residue 710 ASP Chi-restraints excluded: chain A residue 719 LEU Chi-restraints excluded: chain A residue 737 LEU Chi-restraints excluded: chain A residue 744 VAL Chi-restraints excluded: chain A residue 754 SER Chi-restraints excluded: chain A residue 791 PHE Chi-restraints excluded: chain A residue 815 VAL Chi-restraints excluded: chain A residue 840 VAL Chi-restraints excluded: chain A residue 868 GLU Chi-restraints excluded: chain A residue 961 MET Chi-restraints excluded: chain A residue 1046 LEU Chi-restraints excluded: chain A residue 1112 ASP Chi-restraints excluded: chain A residue 1113 VAL Chi-restraints excluded: chain A residue 1114 GLU Chi-restraints excluded: chain A residue 1120 LEU Chi-restraints excluded: chain A residue 1141 ARG Chi-restraints excluded: chain A residue 1148 VAL Chi-restraints excluded: chain A residue 1149 VAL Chi-restraints excluded: chain A residue 1152 MET Chi-restraints excluded: chain A residue 1153 ILE Chi-restraints excluded: chain A residue 1159 THR Chi-restraints excluded: chain A residue 1164 LEU Chi-restraints excluded: chain A residue 1169 LEU Chi-restraints excluded: chain A residue 1191 VAL Chi-restraints excluded: chain A residue 1201 HIS Chi-restraints excluded: chain A residue 1204 LEU Chi-restraints excluded: chain A residue 1214 PHE Chi-restraints excluded: chain A residue 1255 TYR Chi-restraints excluded: chain A residue 1260 MET Chi-restraints excluded: chain A residue 1266 THR Chi-restraints excluded: chain A residue 1574 PRO Chi-restraints excluded: chain A residue 1608 MET Chi-restraints excluded: chain A residue 1637 MET Chi-restraints excluded: chain A residue 1639 LEU Chi-restraints excluded: chain A residue 1648 MET Chi-restraints excluded: chain A residue 1653 LEU Chi-restraints excluded: chain A residue 1655 GLU Chi-restraints excluded: chain A residue 1666 THR Chi-restraints excluded: chain A residue 1681 VAL Chi-restraints excluded: chain A residue 1693 GLN Chi-restraints excluded: chain A residue 1702 HIS Chi-restraints excluded: chain A residue 1703 LEU Chi-restraints excluded: chain A residue 1716 ILE Chi-restraints excluded: chain A residue 1721 GLU Chi-restraints excluded: chain A residue 1730 MET 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 1742 THR Chi-restraints excluded: chain A residue 1767 VAL Chi-restraints excluded: chain A residue 1770 SER Chi-restraints excluded: chain A residue 1798 LEU Chi-restraints excluded: chain A residue 1830 VAL Chi-restraints excluded: chain A residue 1833 SER Chi-restraints excluded: chain A residue 1845 VAL Chi-restraints excluded: chain A residue 1850 VAL Chi-restraints excluded: chain A residue 1935 VAL Chi-restraints excluded: chain A residue 1948 ASP Chi-restraints excluded: chain A residue 1955 VAL Chi-restraints excluded: chain A residue 1966 VAL Chi-restraints excluded: chain A residue 2010 LEU Chi-restraints excluded: chain A residue 2039 LEU Chi-restraints excluded: chain A residue 2097 LEU Chi-restraints excluded: chain A residue 2098 VAL Chi-restraints excluded: chain A residue 2099 SER Chi-restraints excluded: chain A residue 2103 VAL Chi-restraints excluded: chain A residue 2117 VAL Chi-restraints excluded: chain A residue 2122 SER Chi-restraints excluded: chain A residue 2125 HIS Chi-restraints excluded: chain A residue 2140 ARG Chi-restraints excluded: chain A residue 2148 SER Chi-restraints excluded: chain A residue 2164 SER Chi-restraints excluded: chain A residue 2187 ASN Chi-restraints excluded: chain A residue 2191 PHE Chi-restraints excluded: chain A residue 2194 HIS Chi-restraints excluded: chain A residue 2198 MET Chi-restraints excluded: chain A residue 2210 VAL Chi-restraints excluded: chain A residue 2230 THR Chi-restraints excluded: chain A residue 2246 ASN Chi-restraints excluded: chain A residue 2249 SER Chi-restraints excluded: chain A residue 2253 HIS Chi-restraints excluded: chain A residue 2281 ILE Chi-restraints excluded: chain A residue 2291 GLN Chi-restraints excluded: chain A residue 2341 VAL Chi-restraints excluded: chain A residue 2364 PHE Chi-restraints excluded: chain A residue 2418 LEU Chi-restraints excluded: chain A residue 2451 LEU Chi-restraints excluded: chain A residue 2457 LEU Chi-restraints excluded: chain A residue 2460 LEU Chi-restraints excluded: chain A residue 2743 LEU Chi-restraints excluded: chain A residue 2745 VAL Chi-restraints excluded: chain A residue 2751 LEU Chi-restraints excluded: chain A residue 2790 MET Chi-restraints excluded: chain A residue 2869 ARG Chi-restraints excluded: chain A residue 2883 HIS Chi-restraints excluded: chain A residue 2938 THR Chi-restraints excluded: chain A residue 3647 HIS Chi-restraints excluded: chain A residue 3657 TYR Chi-restraints excluded: chain A residue 3661 TRP Chi-restraints excluded: chain A residue 3669 PHE Chi-restraints excluded: chain A residue 3677 LEU Chi-restraints excluded: chain A residue 3696 ASP Chi-restraints excluded: chain A residue 3727 ASP Chi-restraints excluded: chain A residue 3751 VAL Chi-restraints excluded: chain A residue 3761 GLN Chi-restraints excluded: chain A residue 3764 LEU Chi-restraints excluded: chain A residue 3765 TYR Chi-restraints excluded: chain A residue 3790 THR Chi-restraints excluded: chain A residue 3803 SER Chi-restraints excluded: chain A residue 3804 ILE Chi-restraints excluded: chain A residue 3805 LEU Chi-restraints excluded: chain A residue 3822 ASP Chi-restraints excluded: chain A residue 3838 THR Chi-restraints excluded: chain A residue 3886 ARG Chi-restraints excluded: chain A residue 3899 PHE Chi-restraints excluded: chain A residue 3905 THR Chi-restraints excluded: chain A residue 3910 THR Chi-restraints excluded: chain A residue 3913 ILE Chi-restraints excluded: chain A residue 3920 VAL Chi-restraints excluded: chain A residue 3966 THR Chi-restraints excluded: chain A residue 3979 SER Chi-restraints excluded: chain A residue 3995 VAL Chi-restraints excluded: chain A residue 4019 LEU Chi-restraints excluded: chain A residue 4021 LYS Chi-restraints excluded: chain A residue 4054 ASN Chi-restraints excluded: chain A residue 4071 ILE Chi-restraints excluded: chain A residue 4072 VAL Chi-restraints excluded: chain A residue 4081 VAL Chi-restraints excluded: chain A residue 4083 ASP Chi-restraints excluded: chain A residue 4088 ILE Chi-restraints excluded: chain A residue 4092 ASP Chi-restraints excluded: chain A residue 4097 MET Chi-restraints excluded: chain A residue 4100 GLN Chi-restraints excluded: chain A residue 4108 ILE Chi-restraints excluded: chain A residue 4113 SER Chi-restraints excluded: chain A residue 4123 ILE Chi-restraints excluded: chain A residue 4132 PHE Chi-restraints excluded: chain A residue 4168 GLU Chi-restraints excluded: chain A residue 4197 ILE Chi-restraints excluded: chain A residue 4217 PHE Chi-restraints excluded: chain A residue 4251 ILE Chi-restraints excluded: chain A residue 4561 THR Chi-restraints excluded: chain A residue 4569 LEU Chi-restraints excluded: chain A residue 4571 PHE Chi-restraints excluded: chain A residue 4573 ILE Chi-restraints excluded: chain A residue 4582 VAL Chi-restraints excluded: chain A residue 4628 VAL Chi-restraints excluded: chain A residue 4631 PHE Chi-restraints excluded: chain A residue 4651 THR Chi-restraints excluded: chain A residue 4676 GLU Chi-restraints excluded: chain A residue 4684 ASP Chi-restraints excluded: chain A residue 4695 ASP Chi-restraints excluded: chain A residue 4732 PHE Chi-restraints excluded: chain A residue 4736 ARG Chi-restraints excluded: chain A residue 4768 LEU Chi-restraints excluded: chain A residue 4782 VAL Chi-restraints excluded: chain A residue 4785 THR Chi-restraints excluded: chain A residue 4803 HIS Chi-restraints excluded: chain A residue 4804 TYR Chi-restraints excluded: chain A residue 4822 THR Chi-restraints excluded: chain A residue 4828 SER Chi-restraints excluded: chain A residue 4852 THR Chi-restraints excluded: chain A residue 4853 VAL Chi-restraints excluded: chain A residue 4854 VAL Chi-restraints excluded: chain A residue 4870 ASP Chi-restraints excluded: chain A residue 4881 THR Chi-restraints excluded: chain A residue 4891 VAL Chi-restraints excluded: chain A residue 4915 VAL Chi-restraints excluded: chain A residue 4918 ILE Chi-restraints excluded: chain A residue 4919 THR Chi-restraints excluded: chain A residue 4937 ILE Chi-restraints excluded: chain A residue 4938 ASP Chi-restraints excluded: chain A residue 4945 ASP Chi-restraints excluded: chain A residue 4950 VAL Chi-restraints excluded: chain A residue 4953 ASP Chi-restraints excluded: chain A residue 4963 ILE Chi-restraints excluded: chain A residue 4970 THR Chi-restraints excluded: chain A residue 4979 THR Chi-restraints excluded: chain A residue 4985 LEU Chi-restraints excluded: chain A residue 5002 GLU Chi-restraints excluded: chain A residue 5008 SER Chi-restraints excluded: chain A residue 5034 ASP Chi-restraints excluded: chain A residue 5036 LEU Chi-restraints excluded: chain C residue 17 ASP Chi-restraints excluded: chain C residue 20 VAL Chi-restraints excluded: chain C residue 68 THR Chi-restraints excluded: chain C residue 69 LEU Chi-restraints excluded: chain C residue 71 GLN Chi-restraints excluded: chain C residue 75 VAL Chi-restraints excluded: chain C residue 81 MET Chi-restraints excluded: chain C residue 107 ILE Chi-restraints excluded: chain C residue 114 SER Chi-restraints excluded: chain C residue 119 SER Chi-restraints excluded: chain C residue 124 SER Chi-restraints excluded: chain C residue 134 ASP Chi-restraints excluded: chain C residue 144 GLU Chi-restraints excluded: chain C residue 149 THR Chi-restraints excluded: chain C residue 154 SER Chi-restraints excluded: chain C residue 169 LEU Chi-restraints excluded: chain C residue 206 CYS Chi-restraints excluded: chain C residue 215 THR Chi-restraints excluded: chain C residue 219 VAL Chi-restraints excluded: chain C residue 222 LEU Chi-restraints excluded: chain C residue 260 TRP Chi-restraints excluded: chain C residue 285 VAL Chi-restraints excluded: chain C residue 286 THR Chi-restraints excluded: chain C residue 312 THR Chi-restraints excluded: chain C residue 315 CYS Chi-restraints excluded: chain C residue 359 TYR Chi-restraints excluded: chain C residue 373 LYS Chi-restraints excluded: chain C residue 389 PHE Chi-restraints excluded: chain C residue 448 LEU Chi-restraints excluded: chain C residue 459 LEU Chi-restraints excluded: chain C residue 478 PHE Chi-restraints excluded: chain C residue 497 TYR Chi-restraints excluded: chain C residue 510 GLU Chi-restraints excluded: chain C residue 542 THR Chi-restraints excluded: chain C residue 553 ARG Chi-restraints excluded: chain C residue 581 ASN Chi-restraints excluded: chain C residue 600 LEU Chi-restraints excluded: chain C residue 614 VAL Chi-restraints excluded: chain C residue 616 SER Chi-restraints excluded: chain C residue 622 THR Chi-restraints excluded: chain C residue 634 GLN Chi-restraints excluded: chain C residue 641 VAL Chi-restraints excluded: chain C residue 659 TYR Chi-restraints excluded: chain C residue 668 VAL Chi-restraints excluded: chain C residue 671 VAL Chi-restraints excluded: chain C residue 674 PHE Chi-restraints excluded: chain C residue 692 TYR Chi-restraints excluded: chain C residue 710 ASP Chi-restraints excluded: chain C residue 737 LEU Chi-restraints excluded: chain C residue 744 VAL Chi-restraints excluded: chain C residue 754 SER Chi-restraints excluded: chain C residue 791 PHE Chi-restraints excluded: chain C residue 840 VAL Chi-restraints excluded: chain C residue 868 GLU Chi-restraints excluded: chain C residue 961 MET Chi-restraints excluded: chain C residue 1046 LEU Chi-restraints excluded: chain C residue 1112 ASP Chi-restraints excluded: chain C residue 1113 VAL Chi-restraints excluded: chain C residue 1114 GLU Chi-restraints excluded: chain C residue 1120 LEU Chi-restraints excluded: chain C residue 1141 ARG Chi-restraints excluded: chain C residue 1148 VAL Chi-restraints excluded: chain C residue 1149 VAL Chi-restraints excluded: chain C residue 1152 MET Chi-restraints excluded: chain C residue 1153 ILE Chi-restraints excluded: chain C residue 1159 THR Chi-restraints excluded: chain C residue 1164 LEU Chi-restraints excluded: chain C residue 1169 LEU Chi-restraints excluded: chain C residue 1191 VAL Chi-restraints excluded: chain C residue 1201 HIS Chi-restraints excluded: chain C residue 1204 LEU Chi-restraints excluded: chain C residue 1214 PHE Chi-restraints excluded: chain C residue 1255 TYR Chi-restraints excluded: chain C residue 1260 MET Chi-restraints excluded: chain C residue 1266 THR Chi-restraints excluded: chain C residue 1574 PRO Chi-restraints excluded: chain C residue 1608 MET Chi-restraints excluded: chain C residue 1637 MET Chi-restraints excluded: chain C residue 1639 LEU Chi-restraints excluded: chain C residue 1648 MET Chi-restraints excluded: chain C residue 1653 LEU Chi-restraints excluded: chain C residue 1655 GLU Chi-restraints excluded: chain C residue 1666 THR Chi-restraints excluded: chain C residue 1681 VAL Chi-restraints excluded: chain C residue 1693 GLN Chi-restraints excluded: chain C residue 1702 HIS Chi-restraints excluded: chain C residue 1703 LEU Chi-restraints excluded: chain C residue 1716 ILE Chi-restraints excluded: chain C residue 1717 SER Chi-restraints excluded: chain C residue 1721 GLU Chi-restraints excluded: chain C residue 1730 MET 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 1742 THR Chi-restraints excluded: chain C residue 1767 VAL Chi-restraints excluded: chain C residue 1770 SER Chi-restraints excluded: chain C residue 1786 LEU Chi-restraints excluded: chain C residue 1795 PRO Chi-restraints excluded: chain C residue 1798 LEU Chi-restraints excluded: chain C residue 1830 VAL Chi-restraints excluded: chain C residue 1833 SER Chi-restraints excluded: chain C residue 1845 VAL Chi-restraints excluded: chain C residue 1850 VAL Chi-restraints excluded: chain C residue 1935 VAL Chi-restraints excluded: chain C residue 1948 ASP Chi-restraints excluded: chain C residue 1952 GLN Chi-restraints excluded: chain C residue 1955 VAL Chi-restraints excluded: chain C residue 1966 VAL Chi-restraints excluded: chain C residue 2010 LEU Chi-restraints excluded: chain C residue 2039 LEU Chi-restraints excluded: chain C residue 2097 LEU Chi-restraints excluded: chain C residue 2098 VAL Chi-restraints excluded: chain C residue 2099 SER Chi-restraints excluded: chain C residue 2103 VAL Chi-restraints excluded: chain C residue 2117 VAL Chi-restraints excluded: chain C residue 2125 HIS Chi-restraints excluded: chain C residue 2128 TYR Chi-restraints excluded: chain C residue 2148 SER Chi-restraints excluded: chain C residue 2164 SER Chi-restraints excluded: chain C residue 2187 ASN Chi-restraints excluded: chain C residue 2191 PHE Chi-restraints excluded: chain C residue 2194 HIS Chi-restraints excluded: chain C residue 2198 MET Chi-restraints excluded: chain C residue 2210 VAL Chi-restraints excluded: chain C residue 2230 THR Chi-restraints excluded: chain C residue 2246 ASN Chi-restraints excluded: chain C residue 2253 HIS Chi-restraints excluded: chain C residue 2281 ILE Chi-restraints excluded: chain C residue 2291 GLN Chi-restraints excluded: chain C residue 2341 VAL Chi-restraints excluded: chain C residue 2364 PHE Chi-restraints excluded: chain C residue 2418 LEU Chi-restraints excluded: chain C residue 2451 LEU Chi-restraints excluded: chain C residue 2457 LEU Chi-restraints excluded: chain C residue 2460 LEU Chi-restraints excluded: chain C residue 2743 LEU Chi-restraints excluded: chain C residue 2745 VAL Chi-restraints excluded: chain C residue 2751 LEU Chi-restraints excluded: chain C residue 2790 MET Chi-restraints excluded: chain C residue 2869 ARG Chi-restraints excluded: chain C residue 2938 THR Chi-restraints excluded: chain C residue 3647 HIS Chi-restraints excluded: chain C residue 3657 TYR Chi-restraints excluded: chain C residue 3661 TRP Chi-restraints excluded: chain C residue 3669 PHE Chi-restraints excluded: chain C residue 3674 ILE Chi-restraints excluded: chain C residue 3677 LEU Chi-restraints excluded: chain C residue 3696 ASP Chi-restraints excluded: chain C residue 3751 VAL Chi-restraints excluded: chain C residue 3761 GLN Chi-restraints excluded: chain C residue 3764 LEU Chi-restraints excluded: chain C residue 3765 TYR Chi-restraints excluded: chain C residue 3790 THR Chi-restraints excluded: chain C residue 3803 SER Chi-restraints excluded: chain C residue 3804 ILE Chi-restraints excluded: chain C residue 3805 LEU Chi-restraints excluded: chain C residue 3822 ASP Chi-restraints excluded: chain C residue 3838 THR Chi-restraints excluded: chain C residue 3886 ARG Chi-restraints excluded: chain C residue 3899 PHE Chi-restraints excluded: chain C residue 3905 THR Chi-restraints excluded: chain C residue 3910 THR Chi-restraints excluded: chain C residue 3913 ILE Chi-restraints excluded: chain C residue 3920 VAL Chi-restraints excluded: chain C residue 3966 THR Chi-restraints excluded: chain C residue 3979 SER Chi-restraints excluded: chain C residue 4001 MET Chi-restraints excluded: chain C residue 4019 LEU Chi-restraints excluded: chain C residue 4021 LYS Chi-restraints excluded: chain C residue 4054 ASN Chi-restraints excluded: chain C residue 4071 ILE Chi-restraints excluded: chain C residue 4072 VAL Chi-restraints excluded: chain C residue 4081 VAL Chi-restraints excluded: chain C residue 4083 ASP Chi-restraints excluded: chain C residue 4088 ILE Chi-restraints excluded: chain C residue 4092 ASP Chi-restraints excluded: chain C residue 4097 MET Chi-restraints excluded: chain C residue 4100 GLN Chi-restraints excluded: chain C residue 4108 ILE Chi-restraints excluded: chain C residue 4113 SER Chi-restraints excluded: chain C residue 4123 ILE Chi-restraints excluded: chain C residue 4132 PHE Chi-restraints excluded: chain C residue 4168 GLU Chi-restraints excluded: chain C residue 4197 ILE Chi-restraints excluded: chain C residue 4217 PHE Chi-restraints excluded: chain C residue 4251 ILE Chi-restraints excluded: chain C residue 4561 THR Chi-restraints excluded: chain C residue 4569 LEU Chi-restraints excluded: chain C residue 4571 PHE Chi-restraints excluded: chain C residue 4573 ILE Chi-restraints excluded: chain C residue 4577 LEU Chi-restraints excluded: chain C residue 4582 VAL Chi-restraints excluded: chain C residue 4628 VAL Chi-restraints excluded: chain C residue 4631 PHE Chi-restraints excluded: chain C residue 4639 MET Chi-restraints excluded: chain C residue 4651 THR Chi-restraints excluded: chain C residue 4676 GLU Chi-restraints excluded: chain C residue 4684 ASP Chi-restraints excluded: chain C residue 4695 ASP Chi-restraints excluded: chain C residue 4732 PHE Chi-restraints excluded: chain C residue 4736 ARG Chi-restraints excluded: chain C residue 4768 LEU Chi-restraints excluded: chain C residue 4782 VAL Chi-restraints excluded: chain C residue 4785 THR Chi-restraints excluded: chain C residue 4803 HIS Chi-restraints excluded: chain C residue 4804 TYR Chi-restraints excluded: chain C residue 4822 THR Chi-restraints excluded: chain C residue 4828 SER Chi-restraints excluded: chain C residue 4853 VAL Chi-restraints excluded: chain C residue 4858 PHE Chi-restraints excluded: chain C residue 4861 LYS Chi-restraints excluded: chain C residue 4870 ASP Chi-restraints excluded: chain C residue 4876 CYS Chi-restraints excluded: chain C residue 4881 THR Chi-restraints excluded: chain C residue 4887 MET Chi-restraints excluded: chain C residue 4891 VAL Chi-restraints excluded: chain C residue 4913 ARG Chi-restraints excluded: chain C residue 4915 VAL Chi-restraints excluded: chain C residue 4917 ASP Chi-restraints excluded: chain C residue 4919 THR Chi-restraints excluded: chain C residue 4928 LEU Chi-restraints excluded: chain C residue 4937 ILE Chi-restraints excluded: chain C residue 4938 ASP Chi-restraints excluded: chain C residue 4950 VAL Chi-restraints excluded: chain C residue 4953 ASP Chi-restraints excluded: chain C residue 4963 ILE Chi-restraints excluded: chain C residue 4970 THR Chi-restraints excluded: chain C residue 4979 THR Chi-restraints excluded: chain C residue 4985 LEU Chi-restraints excluded: chain C residue 5002 GLU Chi-restraints excluded: chain C residue 5008 SER Chi-restraints excluded: chain C residue 5034 ASP Chi-restraints excluded: chain C residue 5036 LEU Chi-restraints excluded: chain D residue 17 ASP Chi-restraints excluded: chain D residue 20 VAL Chi-restraints excluded: chain D residue 68 THR Chi-restraints excluded: chain D residue 75 VAL Chi-restraints excluded: chain D residue 81 MET Chi-restraints excluded: chain D residue 107 ILE Chi-restraints excluded: chain D residue 114 SER Chi-restraints excluded: chain D residue 119 SER Chi-restraints excluded: chain D residue 124 SER Chi-restraints excluded: chain D residue 134 ASP Chi-restraints excluded: chain D residue 144 GLU Chi-restraints excluded: chain D residue 149 THR Chi-restraints excluded: chain D residue 154 SER Chi-restraints excluded: chain D residue 169 LEU Chi-restraints excluded: chain D residue 206 CYS Chi-restraints excluded: chain D residue 211 GLU Chi-restraints excluded: chain D residue 215 THR Chi-restraints excluded: chain D residue 219 VAL Chi-restraints excluded: chain D residue 222 LEU Chi-restraints excluded: chain D residue 260 TRP Chi-restraints excluded: chain D residue 286 THR Chi-restraints excluded: chain D residue 287 THR Chi-restraints excluded: chain D residue 312 THR Chi-restraints excluded: chain D residue 315 CYS Chi-restraints excluded: chain D residue 359 TYR Chi-restraints excluded: chain D residue 373 LYS Chi-restraints excluded: chain D residue 389 PHE Chi-restraints excluded: chain D residue 448 LEU Chi-restraints excluded: chain D residue 459 LEU Chi-restraints excluded: chain D residue 478 PHE Chi-restraints excluded: chain D residue 497 TYR Chi-restraints excluded: chain D residue 510 GLU Chi-restraints excluded: chain D residue 542 THR Chi-restraints excluded: chain D residue 578 ILE Chi-restraints excluded: chain D residue 600 LEU Chi-restraints excluded: chain D residue 614 VAL Chi-restraints excluded: chain D residue 616 SER Chi-restraints excluded: chain D residue 622 THR Chi-restraints excluded: chain D residue 626 LEU Chi-restraints excluded: chain D residue 634 GLN Chi-restraints excluded: chain D residue 641 VAL Chi-restraints excluded: chain D residue 648 ILE Chi-restraints excluded: chain D residue 659 TYR Chi-restraints excluded: chain D residue 668 VAL Chi-restraints excluded: chain D residue 671 VAL Chi-restraints excluded: chain D residue 674 PHE Chi-restraints excluded: chain D residue 692 TYR Chi-restraints excluded: chain D residue 710 ASP Chi-restraints excluded: chain D residue 737 LEU Chi-restraints excluded: chain D residue 744 VAL Chi-restraints excluded: chain D residue 754 SER Chi-restraints excluded: chain D residue 791 PHE Chi-restraints excluded: chain D residue 840 VAL Chi-restraints excluded: chain D residue 868 GLU Chi-restraints excluded: chain D residue 961 MET Chi-restraints excluded: chain D residue 1046 LEU Chi-restraints excluded: chain D residue 1112 ASP Chi-restraints excluded: chain D residue 1113 VAL Chi-restraints excluded: chain D residue 1114 GLU Chi-restraints excluded: chain D residue 1120 LEU Chi-restraints excluded: chain D residue 1141 ARG Chi-restraints excluded: chain D residue 1148 VAL Chi-restraints excluded: chain D residue 1149 VAL Chi-restraints excluded: chain D residue 1152 MET Chi-restraints excluded: chain D residue 1153 ILE Chi-restraints excluded: chain D residue 1159 THR Chi-restraints excluded: chain D residue 1164 LEU Chi-restraints excluded: chain D residue 1169 LEU Chi-restraints excluded: chain D residue 1191 VAL Chi-restraints excluded: chain D residue 1201 HIS Chi-restraints excluded: chain D residue 1204 LEU Chi-restraints excluded: chain D residue 1214 PHE Chi-restraints excluded: chain D residue 1255 TYR Chi-restraints excluded: chain D residue 1260 MET Chi-restraints excluded: chain D residue 1266 THR Chi-restraints excluded: chain D residue 1574 PRO Chi-restraints excluded: chain D residue 1608 MET Chi-restraints excluded: chain D residue 1637 MET Chi-restraints excluded: chain D residue 1639 LEU Chi-restraints excluded: chain D residue 1653 LEU Chi-restraints excluded: chain D residue 1666 THR Chi-restraints excluded: chain D residue 1681 VAL Chi-restraints excluded: chain D residue 1693 GLN Chi-restraints excluded: chain D residue 1702 HIS Chi-restraints excluded: chain D residue 1703 LEU Chi-restraints excluded: chain D residue 1716 ILE Chi-restraints excluded: chain D residue 1717 SER Chi-restraints excluded: chain D residue 1721 GLU Chi-restraints excluded: chain D residue 1730 MET 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 1742 THR Chi-restraints excluded: chain D residue 1767 VAL Chi-restraints excluded: chain D residue 1770 SER Chi-restraints excluded: chain D residue 1778 SER Chi-restraints excluded: chain D residue 1798 LEU Chi-restraints excluded: chain D residue 1830 VAL Chi-restraints excluded: chain D residue 1833 SER Chi-restraints excluded: chain D residue 1845 VAL Chi-restraints excluded: chain D residue 1850 VAL Chi-restraints excluded: chain D residue 1935 VAL Chi-restraints excluded: chain D residue 1952 GLN Chi-restraints excluded: chain D residue 1966 VAL Chi-restraints excluded: chain D residue 2010 LEU Chi-restraints excluded: chain D residue 2039 LEU Chi-restraints excluded: chain D residue 2097 LEU Chi-restraints excluded: chain D residue 2098 VAL Chi-restraints excluded: chain D residue 2099 SER Chi-restraints excluded: chain D residue 2103 VAL Chi-restraints excluded: chain D residue 2117 VAL Chi-restraints excluded: chain D residue 2125 HIS Chi-restraints excluded: chain D residue 2140 ARG Chi-restraints excluded: chain D residue 2148 SER Chi-restraints excluded: chain D residue 2187 ASN Chi-restraints excluded: chain D residue 2191 PHE Chi-restraints excluded: chain D residue 2194 HIS Chi-restraints excluded: chain D residue 2198 MET Chi-restraints excluded: chain D residue 2210 VAL Chi-restraints excluded: chain D residue 2230 THR Chi-restraints excluded: chain D residue 2246 ASN Chi-restraints excluded: chain D residue 2253 HIS Chi-restraints excluded: chain D residue 2281 ILE Chi-restraints excluded: chain D residue 2291 GLN Chi-restraints excluded: chain D residue 2341 VAL Chi-restraints excluded: chain D residue 2364 PHE Chi-restraints excluded: chain D residue 2418 LEU Chi-restraints excluded: chain D residue 2451 LEU Chi-restraints excluded: chain D residue 2457 LEU Chi-restraints excluded: chain D residue 2460 LEU Chi-restraints excluded: chain D residue 2743 LEU Chi-restraints excluded: chain D residue 2745 VAL Chi-restraints excluded: chain D residue 2751 LEU Chi-restraints excluded: chain D residue 2790 MET Chi-restraints excluded: chain D residue 2869 ARG Chi-restraints excluded: chain D residue 2872 GLN Chi-restraints excluded: chain D residue 2882 TYR Chi-restraints excluded: chain D residue 2938 THR Chi-restraints excluded: chain D residue 3647 HIS Chi-restraints excluded: chain D residue 3648 ARG Chi-restraints excluded: chain D residue 3661 TRP Chi-restraints excluded: chain D residue 3669 PHE Chi-restraints excluded: chain D residue 3696 ASP Chi-restraints excluded: chain D residue 3727 ASP Chi-restraints excluded: chain D residue 3751 VAL Chi-restraints excluded: chain D residue 3761 GLN Chi-restraints excluded: chain D residue 3764 LEU Chi-restraints excluded: chain D residue 3765 TYR Chi-restraints excluded: chain D residue 3790 THR Chi-restraints excluded: chain D residue 3803 SER Chi-restraints excluded: chain D residue 3804 ILE Chi-restraints excluded: chain D residue 3805 LEU Chi-restraints excluded: chain D residue 3822 ASP Chi-restraints excluded: chain D residue 3838 THR Chi-restraints excluded: chain D residue 3886 ARG Chi-restraints excluded: chain D residue 3899 PHE Chi-restraints excluded: chain D residue 3905 THR Chi-restraints excluded: chain D residue 3910 THR Chi-restraints excluded: chain D residue 3913 ILE Chi-restraints excluded: chain D residue 3920 VAL Chi-restraints excluded: chain D residue 3966 THR Chi-restraints excluded: chain D residue 3979 SER Chi-restraints excluded: chain D residue 4019 LEU Chi-restraints excluded: chain D residue 4021 LYS Chi-restraints excluded: chain D residue 4054 ASN Chi-restraints excluded: chain D residue 4071 ILE Chi-restraints excluded: chain D residue 4072 VAL Chi-restraints excluded: chain D residue 4081 VAL Chi-restraints excluded: chain D residue 4083 ASP Chi-restraints excluded: chain D residue 4088 ILE Chi-restraints excluded: chain D residue 4092 ASP Chi-restraints excluded: chain D residue 4097 MET Chi-restraints excluded: chain D residue 4100 GLN Chi-restraints excluded: chain D residue 4108 ILE Chi-restraints excluded: chain D residue 4110 PHE Chi-restraints excluded: chain D residue 4113 SER Chi-restraints excluded: chain D residue 4123 ILE Chi-restraints excluded: chain D residue 4132 PHE Chi-restraints excluded: chain D residue 4168 GLU Chi-restraints excluded: chain D residue 4197 ILE Chi-restraints excluded: chain D residue 4217 PHE Chi-restraints excluded: chain D residue 4251 ILE Chi-restraints excluded: chain D residue 4561 THR Chi-restraints excluded: chain D residue 4569 LEU Chi-restraints excluded: chain D residue 4571 PHE Chi-restraints excluded: chain D residue 4573 ILE Chi-restraints excluded: chain D residue 4577 LEU Chi-restraints excluded: chain D residue 4582 VAL Chi-restraints excluded: chain D residue 4628 VAL Chi-restraints excluded: chain D residue 4631 PHE Chi-restraints excluded: chain D residue 4651 THR Chi-restraints excluded: chain D residue 4676 GLU Chi-restraints excluded: chain D residue 4684 ASP Chi-restraints excluded: chain D residue 4695 ASP Chi-restraints excluded: chain D residue 4732 PHE Chi-restraints excluded: chain D residue 4736 ARG Chi-restraints excluded: chain D residue 4768 LEU Chi-restraints excluded: chain D residue 4782 VAL Chi-restraints excluded: chain D residue 4785 THR Chi-restraints excluded: chain D residue 4797 VAL Chi-restraints excluded: chain D residue 4803 HIS Chi-restraints excluded: chain D residue 4804 TYR Chi-restraints excluded: chain D residue 4822 THR Chi-restraints excluded: chain D residue 4828 SER Chi-restraints excluded: chain D residue 4853 VAL Chi-restraints excluded: chain D residue 4854 VAL Chi-restraints excluded: chain D residue 4870 ASP Chi-restraints excluded: chain D residue 4881 THR Chi-restraints excluded: chain D residue 4887 MET Chi-restraints excluded: chain D residue 4891 VAL Chi-restraints excluded: chain D residue 4915 VAL Chi-restraints excluded: chain D residue 4917 ASP Chi-restraints excluded: chain D residue 4919 THR Chi-restraints excluded: chain D residue 4928 LEU Chi-restraints excluded: chain D residue 4937 ILE Chi-restraints excluded: chain D residue 4938 ASP Chi-restraints excluded: chain D residue 4950 VAL Chi-restraints excluded: chain D residue 4953 ASP Chi-restraints excluded: chain D residue 4963 ILE Chi-restraints excluded: chain D residue 4970 THR Chi-restraints excluded: chain D residue 4973 HIS Chi-restraints excluded: chain D residue 4985 LEU Chi-restraints excluded: chain D residue 5002 GLU Chi-restraints excluded: chain D residue 5008 SER Chi-restraints excluded: chain D residue 5034 ASP Chi-restraints excluded: chain D residue 5036 LEU Chi-restraints excluded: chain B residue 17 ASP Chi-restraints excluded: chain B residue 20 VAL Chi-restraints excluded: chain B residue 68 THR Chi-restraints excluded: chain B residue 69 LEU Chi-restraints excluded: chain B residue 75 VAL Chi-restraints excluded: chain B residue 81 MET Chi-restraints excluded: chain B residue 107 ILE Chi-restraints excluded: chain B residue 114 SER Chi-restraints excluded: chain B residue 119 SER Chi-restraints excluded: chain B residue 124 SER Chi-restraints excluded: chain B residue 134 ASP Chi-restraints excluded: chain B residue 144 GLU Chi-restraints excluded: chain B residue 149 THR Chi-restraints excluded: chain B residue 154 SER Chi-restraints excluded: chain B residue 169 LEU Chi-restraints excluded: chain B residue 206 CYS Chi-restraints excluded: chain B residue 211 GLU Chi-restraints excluded: chain B residue 215 THR Chi-restraints excluded: chain B residue 219 VAL Chi-restraints excluded: chain B residue 222 LEU Chi-restraints excluded: chain B residue 260 TRP Chi-restraints excluded: chain B residue 285 VAL Chi-restraints excluded: chain B residue 286 THR Chi-restraints excluded: chain B residue 312 THR Chi-restraints excluded: chain B residue 315 CYS Chi-restraints excluded: chain B residue 359 TYR Chi-restraints excluded: chain B residue 373 LYS Chi-restraints excluded: chain B residue 389 PHE Chi-restraints excluded: chain B residue 448 LEU Chi-restraints excluded: chain B residue 459 LEU Chi-restraints excluded: chain B residue 478 PHE Chi-restraints excluded: chain B residue 497 TYR Chi-restraints excluded: chain B residue 510 GLU Chi-restraints excluded: chain B residue 542 THR Chi-restraints excluded: chain B residue 578 ILE Chi-restraints excluded: chain B residue 600 LEU Chi-restraints excluded: chain B residue 614 VAL Chi-restraints excluded: chain B residue 616 SER Chi-restraints excluded: chain B residue 622 THR Chi-restraints excluded: chain B residue 626 LEU Chi-restraints excluded: chain B residue 634 GLN Chi-restraints excluded: chain B residue 641 VAL Chi-restraints excluded: chain B residue 659 TYR Chi-restraints excluded: chain B residue 668 VAL Chi-restraints excluded: chain B residue 671 VAL Chi-restraints excluded: chain B residue 674 PHE Chi-restraints excluded: chain B residue 692 TYR Chi-restraints excluded: chain B residue 710 ASP Chi-restraints excluded: chain B residue 723 THR Chi-restraints excluded: chain B residue 737 LEU Chi-restraints excluded: chain B residue 744 VAL Chi-restraints excluded: chain B residue 754 SER Chi-restraints excluded: chain B residue 791 PHE Chi-restraints excluded: chain B residue 840 VAL Chi-restraints excluded: chain B residue 862 VAL Chi-restraints excluded: chain B residue 868 GLU Chi-restraints excluded: chain B residue 961 MET Chi-restraints excluded: chain B residue 1046 LEU Chi-restraints excluded: chain B residue 1112 ASP Chi-restraints excluded: chain B residue 1113 VAL Chi-restraints excluded: chain B residue 1114 GLU Chi-restraints excluded: chain B residue 1120 LEU Chi-restraints excluded: chain B residue 1141 ARG Chi-restraints excluded: chain B residue 1148 VAL Chi-restraints excluded: chain B residue 1149 VAL Chi-restraints excluded: chain B residue 1152 MET Chi-restraints excluded: chain B residue 1153 ILE Chi-restraints excluded: chain B residue 1159 THR Chi-restraints excluded: chain B residue 1164 LEU Chi-restraints excluded: chain B residue 1169 LEU Chi-restraints excluded: chain B residue 1191 VAL Chi-restraints excluded: chain B residue 1201 HIS Chi-restraints excluded: chain B residue 1204 LEU Chi-restraints excluded: chain B residue 1214 PHE Chi-restraints excluded: chain B residue 1255 TYR Chi-restraints excluded: chain B residue 1260 MET Chi-restraints excluded: chain B residue 1266 THR Chi-restraints excluded: chain B residue 1574 PRO Chi-restraints excluded: chain B residue 1608 MET Chi-restraints excluded: chain B residue 1637 MET Chi-restraints excluded: chain B residue 1639 LEU Chi-restraints excluded: chain B residue 1653 LEU Chi-restraints excluded: chain B residue 1666 THR Chi-restraints excluded: chain B residue 1681 VAL Chi-restraints excluded: chain B residue 1693 GLN Chi-restraints excluded: chain B residue 1702 HIS Chi-restraints excluded: chain B residue 1703 LEU Chi-restraints excluded: chain B residue 1716 ILE Chi-restraints excluded: chain B residue 1717 SER Chi-restraints excluded: chain B residue 1721 GLU Chi-restraints excluded: chain B residue 1730 MET 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 1742 THR Chi-restraints excluded: chain B residue 1767 VAL Chi-restraints excluded: chain B residue 1830 VAL Chi-restraints excluded: chain B residue 1833 SER Chi-restraints excluded: chain B residue 1845 VAL Chi-restraints excluded: chain B residue 1850 VAL Chi-restraints excluded: chain B residue 1935 VAL Chi-restraints excluded: chain B residue 1948 ASP Chi-restraints excluded: chain B residue 1952 GLN Chi-restraints excluded: chain B residue 1966 VAL Chi-restraints excluded: chain B residue 2010 LEU Chi-restraints excluded: chain B residue 2039 LEU Chi-restraints excluded: chain B residue 2097 LEU Chi-restraints excluded: chain B residue 2098 VAL Chi-restraints excluded: chain B residue 2099 SER Chi-restraints excluded: chain B residue 2103 VAL Chi-restraints excluded: chain B residue 2117 VAL Chi-restraints excluded: chain B residue 2125 HIS Chi-restraints excluded: chain B residue 2128 TYR Chi-restraints excluded: chain B residue 2140 ARG Chi-restraints excluded: chain B residue 2148 SER Chi-restraints excluded: chain B residue 2164 SER Chi-restraints excluded: chain B residue 2187 ASN Chi-restraints excluded: chain B residue 2191 PHE Chi-restraints excluded: chain B residue 2194 HIS Chi-restraints excluded: chain B residue 2198 MET Chi-restraints excluded: chain B residue 2210 VAL Chi-restraints excluded: chain B residue 2230 THR Chi-restraints excluded: chain B residue 2246 ASN Chi-restraints excluded: chain B residue 2253 HIS Chi-restraints excluded: chain B residue 2281 ILE Chi-restraints excluded: chain B residue 2291 GLN Chi-restraints excluded: chain B residue 2341 VAL Chi-restraints excluded: chain B residue 2364 PHE Chi-restraints excluded: chain B residue 2418 LEU Chi-restraints excluded: chain B residue 2451 LEU Chi-restraints excluded: chain B residue 2457 LEU Chi-restraints excluded: chain B residue 2460 LEU Chi-restraints excluded: chain B residue 2743 LEU Chi-restraints excluded: chain B residue 2745 VAL Chi-restraints excluded: chain B residue 2751 LEU Chi-restraints excluded: chain B residue 2790 MET Chi-restraints excluded: chain B residue 2869 ARG Chi-restraints excluded: chain B residue 2938 THR Chi-restraints excluded: chain B residue 3647 HIS Chi-restraints excluded: chain B residue 3661 TRP Chi-restraints excluded: chain B residue 3669 PHE Chi-restraints excluded: chain B residue 3673 MET Chi-restraints excluded: chain B residue 3677 LEU Chi-restraints excluded: chain B residue 3696 ASP Chi-restraints excluded: chain B residue 3727 ASP Chi-restraints excluded: chain B residue 3751 VAL Chi-restraints excluded: chain B residue 3761 GLN Chi-restraints excluded: chain B residue 3764 LEU Chi-restraints excluded: chain B residue 3765 TYR Chi-restraints excluded: chain B residue 3790 THR Chi-restraints excluded: chain B residue 3803 SER Chi-restraints excluded: chain B residue 3804 ILE Chi-restraints excluded: chain B residue 3805 LEU Chi-restraints excluded: chain B residue 3822 ASP Chi-restraints excluded: chain B residue 3838 THR Chi-restraints excluded: chain B residue 3886 ARG Chi-restraints excluded: chain B residue 3899 PHE Chi-restraints excluded: chain B residue 3905 THR Chi-restraints excluded: chain B residue 3910 THR Chi-restraints excluded: chain B residue 3913 ILE Chi-restraints excluded: chain B residue 3920 VAL Chi-restraints excluded: chain B residue 3952 SER Chi-restraints excluded: chain B residue 3966 THR Chi-restraints excluded: chain B residue 3979 SER Chi-restraints excluded: chain B residue 3983 SER Chi-restraints excluded: chain B residue 4019 LEU Chi-restraints excluded: chain B residue 4021 LYS Chi-restraints excluded: chain B residue 4054 ASN Chi-restraints excluded: chain B residue 4071 ILE Chi-restraints excluded: chain B residue 4072 VAL Chi-restraints excluded: chain B residue 4081 VAL Chi-restraints excluded: chain B residue 4083 ASP Chi-restraints excluded: chain B residue 4088 ILE Chi-restraints excluded: chain B residue 4092 ASP Chi-restraints excluded: chain B residue 4097 MET Chi-restraints excluded: chain B residue 4100 GLN Chi-restraints excluded: chain B residue 4108 ILE Chi-restraints excluded: chain B residue 4110 PHE Chi-restraints excluded: chain B residue 4113 SER Chi-restraints excluded: chain B residue 4123 ILE Chi-restraints excluded: chain B residue 4132 PHE Chi-restraints excluded: chain B residue 4168 GLU Chi-restraints excluded: chain B residue 4182 GLU Chi-restraints excluded: chain B residue 4197 ILE Chi-restraints excluded: chain B residue 4217 PHE Chi-restraints excluded: chain B residue 4218 ILE Chi-restraints excluded: chain B residue 4251 ILE Chi-restraints excluded: chain B residue 4561 THR Chi-restraints excluded: chain B residue 4569 LEU Chi-restraints excluded: chain B residue 4571 PHE Chi-restraints excluded: chain B residue 4573 ILE Chi-restraints excluded: chain B residue 4577 LEU Chi-restraints excluded: chain B residue 4582 VAL Chi-restraints excluded: chain B residue 4628 VAL Chi-restraints excluded: chain B residue 4631 PHE Chi-restraints excluded: chain B residue 4651 THR Chi-restraints excluded: chain B residue 4676 GLU Chi-restraints excluded: chain B residue 4684 ASP Chi-restraints excluded: chain B residue 4695 ASP Chi-restraints excluded: chain B residue 4732 PHE Chi-restraints excluded: chain B residue 4736 ARG Chi-restraints excluded: chain B residue 4768 LEU Chi-restraints excluded: chain B residue 4782 VAL Chi-restraints excluded: chain B residue 4785 THR Chi-restraints excluded: chain B residue 4803 HIS Chi-restraints excluded: chain B residue 4804 TYR Chi-restraints excluded: chain B residue 4822 THR Chi-restraints excluded: chain B residue 4853 VAL Chi-restraints excluded: chain B residue 4854 VAL Chi-restraints excluded: chain B residue 4870 ASP Chi-restraints excluded: chain B residue 4881 THR Chi-restraints excluded: chain B residue 4891 VAL Chi-restraints excluded: chain B residue 4915 VAL Chi-restraints excluded: chain B residue 4917 ASP Chi-restraints excluded: chain B residue 4918 ILE Chi-restraints excluded: chain B residue 4919 THR Chi-restraints excluded: chain B residue 4950 VAL Chi-restraints excluded: chain B residue 4953 ASP Chi-restraints excluded: chain B residue 4956 THR Chi-restraints excluded: chain B residue 4963 ILE Chi-restraints excluded: chain B residue 4970 THR Chi-restraints excluded: chain B residue 4979 THR Chi-restraints excluded: chain B residue 4985 LEU Chi-restraints excluded: chain B residue 5002 GLU Chi-restraints excluded: chain B residue 5008 SER Chi-restraints excluded: chain B residue 5034 ASP Chi-restraints excluded: chain B residue 5036 LEU Rotamers are restrained with sigma=4.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 0 random chunks: chunk None optimal weight: 6.9990 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 156 GLN ** A 218 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 379 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 536 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 543 ASN ** A 617 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 624 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 647 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 720 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 735 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 736 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A 919 ASN ** A 921 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 963 ASN ** A1198 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A1220 GLN A1254 HIS ** A1683 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A1693 GLN A1702 HIS A1952 GLN A1953 HIS A1972 ASN A2169 GLN A2184 ASN ** A2194 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A2349 ASN ** A2734 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2883 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A3667 HIS A3704 HIS ** A3767 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3830 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3998 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A4100 GLN ** A4162 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4553 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4714 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A4857 ASN ** A4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C 151 HIS ** C 218 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 379 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 520 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 536 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 543 ASN ** C 617 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 647 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 720 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 735 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 736 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C 919 ASN ** C 921 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 963 ASN ** C1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C1206 GLN C1220 GLN C1254 HIS C1693 GLN C1702 HIS C1952 GLN C1972 ASN C2169 GLN C2184 ASN ** C2194 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C2349 ASN ** C2734 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2877 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C3667 HIS C3699 HIS ** C3767 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3830 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3998 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C4100 GLN ** C4162 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4553 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4714 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4803 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C4886 HIS ** C4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D 71 GLN D 156 GLN ** D 218 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 379 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 520 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D 543 ASN ** D 647 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 735 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 736 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D 919 ASN ** D 921 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D 963 ASN ** D1198 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D1206 GLN D1220 GLN D1254 HIS ** D1683 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D1693 GLN D1702 HIS D1952 GLN D1972 ASN ** D2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D2169 GLN D2184 ASN ** D2194 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D2349 ASN ** D2734 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2877 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D3667 HIS ** D3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3998 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D4100 GLN ** D4553 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4714 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4803 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B 71 GLN ** B 218 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 379 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 520 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B 543 ASN ** B 624 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 647 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 720 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 735 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 736 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B 919 ASN ** B 921 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B 963 ASN ** B1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B1220 GLN B1254 HIS B1693 GLN B1702 HIS B1952 GLN B1972 ASN ** B2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B2169 GLN B2184 ASN ** B2194 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B2349 ASN ** B2734 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B3667 HIS B3704 HIS ** B3767 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3830 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3998 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B4100 GLN ** B4162 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4553 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4714 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4803 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B4857 ASN ** B4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 70 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8409 moved from start: 0.7334 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.055 0.428 119505 Z= 3.525 Angle : 3.062 35.381 162917 Z= 1.557 Chirality : 0.152 0.862 19033 Planarity : 0.020 0.195 21423 Dihedral : 13.617 139.177 17821 Min Nonbonded Distance : 1.187 Molprobity Statistics. All-atom Clashscore : 83.70 Ramachandran Plot: Outliers : 2.94 % Allowed : 30.04 % Favored : 67.02 % Rotamer: Outliers : 22.19 % Allowed : 22.90 % Favored : 54.91 % Cbeta Deviations : 0.49 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 5.10 % Twisted General : 2.89 % 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: -6.72 (0.05), residues: 12808 helix: -4.45 (0.04), residues: 5536 sheet: -3.07 (0.14), residues: 1116 loop : -4.81 (0.06), residues: 6156 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.099 0.012 TRP D5011 HIS 0.049 0.008 HIS B4983 PHE 0.104 0.012 PHE A3951 TYR 0.095 0.011 TYR C5009 ARG 0.026 0.003 ARG C3984 *********************** REFINEMENT MACRO_CYCLE 3 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 25616 Ramachandran restraints generated. 12808 Oldfield, 0 Emsley, 12808 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 25616 Ramachandran restraints generated. 12808 Oldfield, 0 Emsley, 12808 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 2822 residues out of total 11248 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2229 poor density : 593 time to evaluate : 8.843 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 159 GLU cc_start: 0.8923 (OUTLIER) cc_final: 0.8428 (tm-30) REVERT: A 164 ARG cc_start: 0.9029 (OUTLIER) cc_final: 0.7372 (mpp-170) REVERT: A 177 GLU cc_start: 0.9321 (OUTLIER) cc_final: 0.8835 (mp0) REVERT: A 229 GLU cc_start: 0.7362 (OUTLIER) cc_final: 0.7017 (tt0) REVERT: A 283 ARG cc_start: 0.8112 (OUTLIER) cc_final: 0.7461 (ttm170) REVERT: A 359 TYR cc_start: 0.8400 (OUTLIER) cc_final: 0.7468 (p90) REVERT: A 403 MET cc_start: 0.8960 (mtp) cc_final: 0.8512 (mtp) REVERT: A 405 HIS cc_start: 0.9050 (OUTLIER) cc_final: 0.8848 (t-90) REVERT: A 419 ASP cc_start: 0.8707 (OUTLIER) cc_final: 0.8235 (m-30) REVERT: A 552 ASP cc_start: 0.8436 (OUTLIER) cc_final: 0.8108 (t0) REVERT: A 581 ASN cc_start: 0.7930 (OUTLIER) cc_final: 0.7633 (p0) REVERT: A 659 TYR cc_start: 0.5562 (OUTLIER) cc_final: 0.4659 (m-80) REVERT: A 662 TRP cc_start: 0.7426 (OUTLIER) cc_final: 0.6864 (m-10) REVERT: A 663 TYR cc_start: 0.6504 (OUTLIER) cc_final: 0.5586 (t80) REVERT: A 674 PHE cc_start: 0.8138 (OUTLIER) cc_final: 0.7544 (t80) REVERT: A 831 ARG cc_start: 0.8743 (OUTLIER) cc_final: 0.8329 (ptp-170) REVERT: A 870 ILE cc_start: 0.6193 (OUTLIER) cc_final: 0.5983 (mt) REVERT: A 944 GLU cc_start: 0.2458 (OUTLIER) cc_final: 0.1969 (tt0) REVERT: A 1133 HIS cc_start: 0.9363 (OUTLIER) cc_final: 0.8645 (t-170) REVERT: A 1152 MET cc_start: 0.8642 (OUTLIER) cc_final: 0.8414 (mtm) REVERT: A 1198 GLN cc_start: 0.8261 (OUTLIER) cc_final: 0.7624 (mm-40) REVERT: A 1202 LEU cc_start: 0.9322 (OUTLIER) cc_final: 0.8825 (tp) REVERT: A 1204 LEU cc_start: 0.9199 (OUTLIER) cc_final: 0.8937 (mm) REVERT: A 1240 LYS cc_start: 0.9172 (OUTLIER) cc_final: 0.8959 (mtpt) REVERT: A 1256 GLU cc_start: 0.7887 (OUTLIER) cc_final: 0.7075 (mt-10) REVERT: A 1653 LEU cc_start: 0.9513 (OUTLIER) cc_final: 0.9234 (mp) REVERT: A 1655 GLU cc_start: 0.8707 (mt-10) cc_final: 0.7757 (tm-30) REVERT: A 1703 LEU cc_start: 0.9537 (OUTLIER) cc_final: 0.9256 (mt) REVERT: A 1738 LEU cc_start: 0.9068 (OUTLIER) cc_final: 0.8856 (mm) REVERT: A 1939 MET cc_start: 0.9101 (mmm) cc_final: 0.8717 (mmm) REVERT: A 1948 ASP cc_start: 0.9390 (OUTLIER) cc_final: 0.9104 (t0) REVERT: A 1963 GLU cc_start: 0.8355 (OUTLIER) cc_final: 0.7775 (pp20) REVERT: A 2126 ARG cc_start: 0.9436 (OUTLIER) cc_final: 0.8326 (ttp80) REVERT: A 2169 GLN cc_start: 0.8843 (OUTLIER) cc_final: 0.8541 (tt0) REVERT: A 2191 PHE cc_start: 0.9188 (OUTLIER) cc_final: 0.8430 (t80) REVERT: A 2292 GLU cc_start: 0.7399 (OUTLIER) cc_final: 0.7185 (pp20) REVERT: A 2364 PHE cc_start: 0.7568 (OUTLIER) cc_final: 0.6632 (m-80) REVERT: A 2420 HIS cc_start: 0.8269 (OUTLIER) cc_final: 0.7697 (t70) REVERT: A 2779 GLU cc_start: 0.1961 (OUTLIER) cc_final: 0.0699 (mt-10) REVERT: A 2790 MET cc_start: 0.0368 (OUTLIER) cc_final: -0.0779 (tpt) REVERT: A 3647 HIS cc_start: 0.8064 (OUTLIER) cc_final: 0.7417 (p90) REVERT: A 3710 LEU cc_start: 0.9347 (OUTLIER) cc_final: 0.9100 (tt) REVERT: A 3805 LEU cc_start: 0.9621 (OUTLIER) cc_final: 0.9318 (pp) REVERT: A 3835 LEU cc_start: 0.9514 (OUTLIER) cc_final: 0.9236 (tt) REVERT: A 4054 ASN cc_start: 0.9056 (OUTLIER) cc_final: 0.8486 (m-40) REVERT: A 4097 MET cc_start: 0.8974 (OUTLIER) cc_final: 0.8518 (mpp) REVERT: A 4102 GLN cc_start: 0.8775 (OUTLIER) cc_final: 0.8380 (pt0) REVERT: A 4108 ILE cc_start: 0.9219 (OUTLIER) cc_final: 0.8966 (mm) REVERT: A 4125 PHE cc_start: 0.9136 (OUTLIER) cc_final: 0.8917 (p90) REVERT: A 4132 PHE cc_start: 0.8682 (OUTLIER) cc_final: 0.8258 (m-10) REVERT: A 4142 ASN cc_start: 0.9566 (OUTLIER) cc_final: 0.8973 (t0) REVERT: A 4205 TRP cc_start: 0.9612 (OUTLIER) cc_final: 0.9274 (t-100) REVERT: A 4562 LEU cc_start: 0.9199 (OUTLIER) cc_final: 0.8915 (tt) REVERT: A 4580 TYR cc_start: 0.9295 (OUTLIER) cc_final: 0.6590 (t80) REVERT: A 4953 ASP cc_start: 0.9132 (OUTLIER) cc_final: 0.8827 (t0) REVERT: C 164 ARG cc_start: 0.8957 (OUTLIER) cc_final: 0.7267 (mpp-170) REVERT: C 177 GLU cc_start: 0.9333 (OUTLIER) cc_final: 0.8783 (mp0) REVERT: C 229 GLU cc_start: 0.7381 (OUTLIER) cc_final: 0.7029 (tt0) REVERT: C 283 ARG cc_start: 0.8052 (OUTLIER) cc_final: 0.7308 (ttm170) REVERT: C 359 TYR cc_start: 0.8399 (OUTLIER) cc_final: 0.7515 (p90) REVERT: C 403 MET cc_start: 0.8954 (mtp) cc_final: 0.8519 (mtp) REVERT: C 419 ASP cc_start: 0.8697 (OUTLIER) cc_final: 0.8230 (m-30) REVERT: C 581 ASN cc_start: 0.7865 (OUTLIER) cc_final: 0.7602 (p0) REVERT: C 659 TYR cc_start: 0.5555 (OUTLIER) cc_final: 0.4652 (m-80) REVERT: C 662 TRP cc_start: 0.7439 (OUTLIER) cc_final: 0.6901 (m-10) REVERT: C 663 TYR cc_start: 0.6505 (OUTLIER) cc_final: 0.5587 (t80) REVERT: C 674 PHE cc_start: 0.8112 (OUTLIER) cc_final: 0.7566 (t80) REVERT: C 831 ARG cc_start: 0.8734 (OUTLIER) cc_final: 0.8326 (ptp-170) REVERT: C 870 ILE cc_start: 0.6201 (OUTLIER) cc_final: 0.5989 (mt) REVERT: C 944 GLU cc_start: 0.2448 (OUTLIER) cc_final: 0.1969 (tt0) REVERT: C 1133 HIS cc_start: 0.9376 (OUTLIER) cc_final: 0.8684 (t-170) REVERT: C 1152 MET cc_start: 0.8632 (OUTLIER) cc_final: 0.8392 (mtm) REVERT: C 1198 GLN cc_start: 0.8294 (OUTLIER) cc_final: 0.7631 (mm-40) REVERT: C 1202 LEU cc_start: 0.9320 (OUTLIER) cc_final: 0.8830 (tp) REVERT: C 1204 LEU cc_start: 0.9195 (OUTLIER) cc_final: 0.8940 (mm) REVERT: C 1240 LYS cc_start: 0.9165 (OUTLIER) cc_final: 0.8957 (mtpt) REVERT: C 1653 LEU cc_start: 0.9508 (OUTLIER) cc_final: 0.9214 (mp) REVERT: C 1655 GLU cc_start: 0.8721 (mt-10) cc_final: 0.7764 (tm-30) REVERT: C 1703 LEU cc_start: 0.9546 (OUTLIER) cc_final: 0.9269 (mt) REVERT: C 1939 MET cc_start: 0.9092 (mmm) cc_final: 0.8709 (mmm) REVERT: C 1948 ASP cc_start: 0.9399 (OUTLIER) cc_final: 0.9094 (t0) REVERT: C 1963 GLU cc_start: 0.8358 (OUTLIER) cc_final: 0.7810 (pp20) REVERT: C 2169 GLN cc_start: 0.8834 (OUTLIER) cc_final: 0.8529 (tt0) REVERT: C 2191 PHE cc_start: 0.9222 (OUTLIER) cc_final: 0.8648 (t80) REVERT: C 2364 PHE cc_start: 0.7593 (OUTLIER) cc_final: 0.6661 (m-80) REVERT: C 2420 HIS cc_start: 0.8276 (OUTLIER) cc_final: 0.7700 (t70) REVERT: C 2779 GLU cc_start: 0.1995 (OUTLIER) cc_final: 0.0735 (mt-10) REVERT: C 2790 MET cc_start: 0.0381 (OUTLIER) cc_final: -0.0784 (tpt) REVERT: C 2880 GLU cc_start: 0.7793 (OUTLIER) cc_final: 0.7288 (mp0) REVERT: C 3647 HIS cc_start: 0.8071 (OUTLIER) cc_final: 0.7427 (p90) REVERT: C 3663 LEU cc_start: 0.9473 (OUTLIER) cc_final: 0.9272 (mm) REVERT: C 3676 ASP cc_start: 0.8798 (OUTLIER) cc_final: 0.8580 (p0) REVERT: C 3805 LEU cc_start: 0.9586 (OUTLIER) cc_final: 0.9254 (pp) REVERT: C 3835 LEU cc_start: 0.9530 (OUTLIER) cc_final: 0.9250 (tt) REVERT: C 4054 ASN cc_start: 0.9053 (OUTLIER) cc_final: 0.8489 (m-40) REVERT: C 4097 MET cc_start: 0.8956 (OUTLIER) cc_final: 0.8547 (mpp) REVERT: C 4108 ILE cc_start: 0.9261 (OUTLIER) cc_final: 0.9029 (mm) REVERT: C 4132 PHE cc_start: 0.8711 (OUTLIER) cc_final: 0.8271 (m-10) REVERT: C 4142 ASN cc_start: 0.9568 (OUTLIER) cc_final: 0.8975 (t0) REVERT: C 4205 TRP cc_start: 0.9616 (OUTLIER) cc_final: 0.9279 (t-100) REVERT: C 4562 LEU cc_start: 0.9193 (OUTLIER) cc_final: 0.8911 (tt) REVERT: C 4580 TYR cc_start: 0.9275 (OUTLIER) cc_final: 0.6583 (t80) REVERT: C 4875 LYS cc_start: 0.7838 (mptt) cc_final: 0.7580 (mmtm) REVERT: C 4884 LEU cc_start: 0.8909 (OUTLIER) cc_final: 0.8668 (tt) REVERT: C 4892 ARG cc_start: 0.9221 (OUTLIER) cc_final: 0.7298 (ttp80) REVERT: C 4913 ARG cc_start: 0.8941 (OUTLIER) cc_final: 0.7963 (tpt90) REVERT: C 4953 ASP cc_start: 0.9151 (OUTLIER) cc_final: 0.8819 (t0) REVERT: C 4981 GLU cc_start: 0.8952 (OUTLIER) cc_final: 0.8743 (mm-30) REVERT: D 69 LEU cc_start: 0.8971 (OUTLIER) cc_final: 0.8748 (pt) REVERT: D 164 ARG cc_start: 0.8976 (OUTLIER) cc_final: 0.7273 (mpp-170) REVERT: D 177 GLU cc_start: 0.9327 (OUTLIER) cc_final: 0.8788 (mp0) REVERT: D 229 GLU cc_start: 0.7434 (OUTLIER) cc_final: 0.7115 (tt0) REVERT: D 359 TYR cc_start: 0.8312 (OUTLIER) cc_final: 0.7471 (p90) REVERT: D 403 MET cc_start: 0.8951 (mtp) cc_final: 0.8503 (mtp) REVERT: D 419 ASP cc_start: 0.8708 (OUTLIER) cc_final: 0.8240 (m-30) REVERT: D 581 ASN cc_start: 0.7965 (OUTLIER) cc_final: 0.7712 (p0) REVERT: D 659 TYR cc_start: 0.5563 (OUTLIER) cc_final: 0.4661 (m-80) REVERT: D 662 TRP cc_start: 0.7339 (OUTLIER) cc_final: 0.6861 (m-10) REVERT: D 663 TYR cc_start: 0.6502 (OUTLIER) cc_final: 0.5580 (t80) REVERT: D 674 PHE cc_start: 0.8080 (OUTLIER) cc_final: 0.7513 (t80) REVERT: D 831 ARG cc_start: 0.8757 (OUTLIER) cc_final: 0.8403 (ptp-170) REVERT: D 870 ILE cc_start: 0.6198 (OUTLIER) cc_final: 0.5986 (mt) REVERT: D 944 GLU cc_start: 0.2409 (OUTLIER) cc_final: 0.1926 (tt0) REVERT: D 1076 ARG cc_start: 0.8878 (OUTLIER) cc_final: 0.8511 (ptt90) REVERT: D 1133 HIS cc_start: 0.9366 (OUTLIER) cc_final: 0.8675 (t-170) REVERT: D 1152 MET cc_start: 0.8663 (OUTLIER) cc_final: 0.8416 (mtm) REVERT: D 1198 GLN cc_start: 0.8220 (OUTLIER) cc_final: 0.7553 (mm-40) REVERT: D 1202 LEU cc_start: 0.9312 (OUTLIER) cc_final: 0.8815 (tp) REVERT: D 1204 LEU cc_start: 0.9193 (OUTLIER) cc_final: 0.8936 (mm) REVERT: D 1240 LYS cc_start: 0.9201 (OUTLIER) cc_final: 0.8995 (mtpt) REVERT: D 1630 CYS cc_start: 0.8344 (OUTLIER) cc_final: 0.7937 (p) REVERT: D 1655 GLU cc_start: 0.8880 (OUTLIER) cc_final: 0.8021 (tm-30) REVERT: D 1657 LEU cc_start: 0.9736 (OUTLIER) cc_final: 0.9480 (mm) REVERT: D 1703 LEU cc_start: 0.9542 (OUTLIER) cc_final: 0.9272 (mt) REVERT: D 1738 LEU cc_start: 0.9067 (OUTLIER) cc_final: 0.8863 (mm) REVERT: D 1781 CYS cc_start: 0.7668 (OUTLIER) cc_final: 0.7328 (p) REVERT: D 1853 ILE cc_start: 0.9721 (OUTLIER) cc_final: 0.9518 (tp) REVERT: D 1939 MET cc_start: 0.9080 (mmm) cc_final: 0.8708 (mmm) REVERT: D 1948 ASP cc_start: 0.9375 (OUTLIER) cc_final: 0.9147 (t0) REVERT: D 1963 GLU cc_start: 0.8357 (OUTLIER) cc_final: 0.7830 (pp20) REVERT: D 2169 GLN cc_start: 0.8836 (OUTLIER) cc_final: 0.8526 (tt0) REVERT: D 2191 PHE cc_start: 0.9210 (OUTLIER) cc_final: 0.8486 (t80) REVERT: D 2292 GLU cc_start: 0.7416 (OUTLIER) cc_final: 0.7202 (pp20) REVERT: D 2364 PHE cc_start: 0.7570 (OUTLIER) cc_final: 0.6646 (m-80) REVERT: D 2420 HIS cc_start: 0.8259 (OUTLIER) cc_final: 0.7701 (t70) REVERT: D 2779 GLU cc_start: 0.2030 (OUTLIER) cc_final: 0.0769 (mt-10) REVERT: D 2790 MET cc_start: 0.0363 (OUTLIER) cc_final: -0.0805 (tpt) REVERT: D 3647 HIS cc_start: 0.8068 (OUTLIER) cc_final: 0.7395 (p90) REVERT: D 3835 LEU cc_start: 0.9527 (OUTLIER) cc_final: 0.9291 (tt) REVERT: D 4054 ASN cc_start: 0.9081 (OUTLIER) cc_final: 0.8506 (m-40) REVERT: D 4097 MET cc_start: 0.8947 (OUTLIER) cc_final: 0.8600 (mpp) REVERT: D 4108 ILE cc_start: 0.9254 (OUTLIER) cc_final: 0.9024 (mm) REVERT: D 4132 PHE cc_start: 0.8698 (OUTLIER) cc_final: 0.8261 (m-10) REVERT: D 4142 ASN cc_start: 0.9576 (OUTLIER) cc_final: 0.8983 (t0) REVERT: D 4192 ARG cc_start: 0.9519 (OUTLIER) cc_final: 0.9209 (ttm170) REVERT: D 4205 TRP cc_start: 0.9613 (OUTLIER) cc_final: 0.9271 (t-100) REVERT: D 4562 LEU cc_start: 0.9231 (OUTLIER) cc_final: 0.8975 (tt) REVERT: D 4953 ASP cc_start: 0.9124 (OUTLIER) cc_final: 0.8837 (t0) REVERT: B 164 ARG cc_start: 0.9042 (OUTLIER) cc_final: 0.7378 (mpp-170) REVERT: B 177 GLU cc_start: 0.9329 (OUTLIER) cc_final: 0.8834 (mp0) REVERT: B 229 GLU cc_start: 0.7414 (OUTLIER) cc_final: 0.7075 (tt0) REVERT: B 283 ARG cc_start: 0.8114 (OUTLIER) cc_final: 0.7457 (ttm170) REVERT: B 359 TYR cc_start: 0.8413 (OUTLIER) cc_final: 0.7578 (p90) REVERT: B 403 MET cc_start: 0.8957 (mtp) cc_final: 0.8508 (mtp) REVERT: B 405 HIS cc_start: 0.9042 (OUTLIER) cc_final: 0.8841 (t-90) REVERT: B 419 ASP cc_start: 0.8698 (OUTLIER) cc_final: 0.8228 (m-30) REVERT: B 552 ASP cc_start: 0.8393 (OUTLIER) cc_final: 0.8014 (t0) REVERT: B 581 ASN cc_start: 0.7965 (OUTLIER) cc_final: 0.7712 (p0) REVERT: B 659 TYR cc_start: 0.5552 (OUTLIER) cc_final: 0.4647 (m-80) REVERT: B 662 TRP cc_start: 0.7418 (OUTLIER) cc_final: 0.6892 (m-10) REVERT: B 663 TYR cc_start: 0.6489 (OUTLIER) cc_final: 0.5572 (t80) REVERT: B 674 PHE cc_start: 0.8062 (OUTLIER) cc_final: 0.7519 (t80) REVERT: B 831 ARG cc_start: 0.8746 (OUTLIER) cc_final: 0.8389 (ptp-170) REVERT: B 870 ILE cc_start: 0.6225 (OUTLIER) cc_final: 0.6012 (mt) REVERT: B 944 GLU cc_start: 0.2160 (OUTLIER) cc_final: 0.1552 (tt0) REVERT: B 1133 HIS cc_start: 0.9343 (OUTLIER) cc_final: 0.8613 (t-170) REVERT: B 1152 MET cc_start: 0.8657 (OUTLIER) cc_final: 0.8411 (mtm) REVERT: B 1198 GLN cc_start: 0.8273 (OUTLIER) cc_final: 0.7597 (mm-40) REVERT: B 1202 LEU cc_start: 0.9297 (OUTLIER) cc_final: 0.8802 (tp) REVERT: B 1204 LEU cc_start: 0.9184 (OUTLIER) cc_final: 0.8929 (mm) REVERT: B 1630 CYS cc_start: 0.8369 (OUTLIER) cc_final: 0.7984 (p) REVERT: B 1655 GLU cc_start: 0.8888 (OUTLIER) cc_final: 0.8036 (tm-30) REVERT: B 1657 LEU cc_start: 0.9729 (OUTLIER) cc_final: 0.9468 (mm) REVERT: B 1703 LEU cc_start: 0.9575 (OUTLIER) cc_final: 0.9283 (mt) REVERT: B 1738 LEU cc_start: 0.9062 (OUTLIER) cc_final: 0.8852 (mm) REVERT: B 1939 MET cc_start: 0.9121 (mmm) cc_final: 0.8745 (mmm) REVERT: B 1948 ASP cc_start: 0.9398 (OUTLIER) cc_final: 0.9103 (t0) REVERT: B 1958 LEU cc_start: 0.9156 (OUTLIER) cc_final: 0.8700 (tt) REVERT: B 1963 GLU cc_start: 0.8347 (OUTLIER) cc_final: 0.7761 (pp20) REVERT: B 2169 GLN cc_start: 0.8850 (OUTLIER) cc_final: 0.8538 (tt0) REVERT: B 2191 PHE cc_start: 0.9194 (OUTLIER) cc_final: 0.8459 (t80) REVERT: B 2292 GLU cc_start: 0.7392 (OUTLIER) cc_final: 0.7162 (pp20) REVERT: B 2364 PHE cc_start: 0.7602 (OUTLIER) cc_final: 0.6657 (m-80) REVERT: B 2420 HIS cc_start: 0.8259 (OUTLIER) cc_final: 0.7698 (t70) REVERT: B 2779 GLU cc_start: 0.1959 (OUTLIER) cc_final: 0.0695 (mt-10) REVERT: B 2790 MET cc_start: 0.0383 (OUTLIER) cc_final: -0.0776 (tpt) REVERT: B 3647 HIS cc_start: 0.8062 (OUTLIER) cc_final: 0.7413 (p90) REVERT: B 3673 MET cc_start: 0.8763 (OUTLIER) cc_final: 0.8255 (ttt) REVERT: B 3805 LEU cc_start: 0.9565 (OUTLIER) cc_final: 0.9238 (pp) REVERT: B 3835 LEU cc_start: 0.9513 (OUTLIER) cc_final: 0.9236 (tt) REVERT: B 4054 ASN cc_start: 0.9087 (OUTLIER) cc_final: 0.8508 (m-40) REVERT: B 4066 LEU cc_start: 0.9482 (OUTLIER) cc_final: 0.9225 (mp) REVERT: B 4097 MET cc_start: 0.8967 (OUTLIER) cc_final: 0.8558 (mpp) REVERT: B 4108 ILE cc_start: 0.9234 (OUTLIER) cc_final: 0.8994 (mm) REVERT: B 4132 PHE cc_start: 0.8696 (OUTLIER) cc_final: 0.8265 (m-10) REVERT: B 4142 ASN cc_start: 0.9572 (OUTLIER) cc_final: 0.8954 (t0) REVERT: B 4192 ARG cc_start: 0.9500 (OUTLIER) cc_final: 0.8927 (ttm170) REVERT: B 4205 TRP cc_start: 0.9610 (OUTLIER) cc_final: 0.9260 (t-100) REVERT: B 4562 LEU cc_start: 0.9224 (OUTLIER) cc_final: 0.8967 (tt) REVERT: B 4953 ASP cc_start: 0.9124 (OUTLIER) cc_final: 0.8794 (t0) REVERT: B 4980 LEU cc_start: 0.9253 (OUTLIER) cc_final: 0.9020 (tt) outliers start: 2229 outliers final: 1422 residues processed: 2678 average time/residue: 0.8622 time to fit residues: 4185.3437 Evaluate side-chains 2206 residues out of total 11248 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 1622 poor density : 584 time to evaluate : 8.701 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 17 ASP Chi-restraints excluded: chain A residue 20 VAL Chi-restraints excluded: chain A residue 37 LEU Chi-restraints excluded: chain A residue 49 LEU Chi-restraints excluded: chain A residue 57 ASN Chi-restraints excluded: chain A residue 58 VAL Chi-restraints excluded: chain A residue 64 ILE Chi-restraints excluded: chain A residue 68 THR Chi-restraints excluded: chain A residue 74 SER Chi-restraints excluded: chain A residue 75 VAL Chi-restraints excluded: chain A residue 81 MET Chi-restraints excluded: chain A residue 98 HIS Chi-restraints excluded: chain A residue 111 HIS Chi-restraints excluded: chain A residue 114 SER Chi-restraints excluded: chain A residue 119 SER Chi-restraints excluded: chain A residue 124 SER Chi-restraints excluded: chain A residue 131 LEU Chi-restraints excluded: chain A residue 134 ASP Chi-restraints excluded: chain A residue 144 GLU Chi-restraints excluded: chain A residue 149 THR Chi-restraints excluded: chain A residue 151 HIS Chi-restraints excluded: chain A residue 154 SER Chi-restraints excluded: chain A residue 159 GLU Chi-restraints excluded: chain A residue 162 LYS Chi-restraints excluded: chain A residue 164 ARG Chi-restraints excluded: chain A residue 167 ASP Chi-restraints excluded: chain A residue 174 VAL Chi-restraints excluded: chain A residue 177 GLU Chi-restraints excluded: chain A residue 194 SER Chi-restraints excluded: chain A residue 206 CYS Chi-restraints excluded: chain A residue 211 GLU Chi-restraints excluded: chain A residue 219 VAL Chi-restraints excluded: chain A residue 222 LEU Chi-restraints excluded: chain A residue 229 GLU Chi-restraints excluded: chain A residue 232 THR Chi-restraints excluded: chain A residue 258 SER Chi-restraints excluded: chain A residue 262 LEU Chi-restraints excluded: chain A residue 283 ARG Chi-restraints excluded: chain A residue 285 VAL Chi-restraints excluded: chain A residue 286 THR Chi-restraints excluded: chain A residue 287 THR Chi-restraints excluded: chain A residue 299 LEU Chi-restraints excluded: chain A residue 300 VAL Chi-restraints excluded: chain A residue 303 ASP Chi-restraints excluded: chain A residue 312 THR Chi-restraints excluded: chain A residue 315 CYS Chi-restraints excluded: chain A residue 320 LYS Chi-restraints excluded: chain A residue 345 LEU Chi-restraints excluded: chain A residue 358 THR Chi-restraints excluded: chain A residue 359 TYR Chi-restraints excluded: chain A residue 373 LYS Chi-restraints excluded: chain A residue 389 PHE Chi-restraints excluded: chain A residue 405 HIS Chi-restraints excluded: chain A residue 419 ASP Chi-restraints excluded: chain A residue 422 SER Chi-restraints excluded: chain A residue 424 LYS Chi-restraints excluded: chain A residue 436 LEU Chi-restraints excluded: chain A residue 444 SER Chi-restraints excluded: chain A residue 448 LEU Chi-restraints excluded: chain A residue 455 PRO Chi-restraints excluded: chain A residue 459 LEU Chi-restraints excluded: chain A residue 470 SER Chi-restraints excluded: chain A residue 472 ARG Chi-restraints excluded: chain A residue 477 LEU Chi-restraints excluded: chain A residue 478 PHE Chi-restraints excluded: chain A residue 483 MET Chi-restraints excluded: chain A residue 487 VAL Chi-restraints excluded: chain A residue 494 LEU Chi-restraints excluded: chain A residue 497 TYR Chi-restraints excluded: chain A residue 499 THR Chi-restraints excluded: chain A residue 503 PHE Chi-restraints excluded: chain A residue 510 GLU Chi-restraints excluded: chain A residue 513 GLU Chi-restraints excluded: chain A residue 514 SER Chi-restraints excluded: chain A residue 517 GLU Chi-restraints excluded: chain A residue 519 VAL Chi-restraints excluded: chain A residue 526 LEU Chi-restraints excluded: chain A residue 534 ARG Chi-restraints excluded: chain A residue 542 THR Chi-restraints excluded: chain A residue 549 SER Chi-restraints excluded: chain A residue 552 ASP Chi-restraints excluded: chain A residue 554 LEU Chi-restraints excluded: chain A residue 566 CYS Chi-restraints excluded: chain A residue 578 ILE Chi-restraints excluded: chain A residue 581 ASN Chi-restraints excluded: chain A residue 587 ILE Chi-restraints excluded: chain A residue 600 LEU Chi-restraints excluded: chain A residue 608 VAL Chi-restraints excluded: chain A residue 614 VAL Chi-restraints excluded: chain A residue 621 ILE Chi-restraints excluded: chain A residue 622 THR Chi-restraints excluded: chain A residue 626 LEU Chi-restraints excluded: chain A residue 634 GLN Chi-restraints excluded: chain A residue 637 LEU Chi-restraints excluded: chain A residue 641 VAL Chi-restraints excluded: chain A residue 643 SER Chi-restraints excluded: chain A residue 648 ILE Chi-restraints excluded: chain A residue 650 VAL Chi-restraints excluded: chain A residue 659 TYR Chi-restraints excluded: chain A residue 662 TRP Chi-restraints excluded: chain A residue 663 TYR Chi-restraints excluded: chain A residue 669 ASP Chi-restraints excluded: chain A residue 671 VAL Chi-restraints excluded: chain A residue 674 PHE Chi-restraints excluded: chain A residue 682 LEU Chi-restraints excluded: chain A residue 684 VAL Chi-restraints excluded: chain A residue 700 GLU Chi-restraints excluded: chain A residue 710 ASP Chi-restraints excluded: chain A residue 720 HIS Chi-restraints excluded: chain A residue 723 THR Chi-restraints excluded: chain A residue 726 VAL Chi-restraints excluded: chain A residue 730 VAL Chi-restraints excluded: chain A residue 737 LEU Chi-restraints excluded: chain A residue 744 VAL Chi-restraints excluded: chain A residue 749 ASP Chi-restraints excluded: chain A residue 752 VAL Chi-restraints excluded: chain A residue 754 SER Chi-restraints excluded: chain A residue 759 ILE Chi-restraints excluded: chain A residue 780 VAL Chi-restraints excluded: chain A residue 791 PHE Chi-restraints excluded: chain A residue 800 PHE Chi-restraints excluded: chain A residue 803 LEU Chi-restraints excluded: chain A residue 812 HIS Chi-restraints excluded: chain A residue 818 ARG 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 859 VAL Chi-restraints excluded: chain A residue 867 LEU Chi-restraints excluded: chain A residue 868 GLU Chi-restraints excluded: chain A residue 870 ILE Chi-restraints excluded: chain A residue 907 LEU Chi-restraints excluded: chain A residue 944 GLU Chi-restraints excluded: chain A residue 972 LEU Chi-restraints excluded: chain A residue 974 HIS Chi-restraints excluded: chain A residue 978 THR Chi-restraints excluded: chain A residue 1046 LEU Chi-restraints excluded: chain A residue 1047 LEU Chi-restraints excluded: chain A residue 1076 ARG Chi-restraints excluded: chain A residue 1112 ASP Chi-restraints excluded: chain A residue 1113 VAL Chi-restraints excluded: chain A residue 1118 ASP Chi-restraints excluded: chain A residue 1120 LEU Chi-restraints excluded: chain A residue 1133 HIS Chi-restraints excluded: chain A residue 1148 VAL Chi-restraints excluded: chain A residue 1149 VAL Chi-restraints excluded: chain A residue 1152 MET Chi-restraints excluded: chain A residue 1153 ILE Chi-restraints excluded: chain A residue 1159 THR Chi-restraints excluded: chain A residue 1164 LEU Chi-restraints excluded: chain A residue 1179 PHE Chi-restraints excluded: chain A residue 1191 VAL Chi-restraints excluded: chain A residue 1193 SER Chi-restraints excluded: chain A residue 1198 GLN Chi-restraints excluded: chain A residue 1201 HIS 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 1220 GLN Chi-restraints excluded: chain A residue 1234 VAL Chi-restraints excluded: chain A residue 1235 THR Chi-restraints excluded: chain A residue 1238 PHE Chi-restraints excluded: chain A residue 1240 LYS Chi-restraints excluded: chain A residue 1256 GLU Chi-restraints excluded: chain A residue 1260 MET Chi-restraints excluded: chain A residue 1274 HIS Chi-restraints excluded: chain A residue 1574 PRO Chi-restraints excluded: chain A residue 1597 VAL Chi-restraints excluded: chain A residue 1600 LEU Chi-restraints excluded: chain A residue 1608 MET Chi-restraints excluded: chain A residue 1612 PHE Chi-restraints excluded: chain A residue 1635 THR Chi-restraints excluded: chain A residue 1637 MET Chi-restraints excluded: chain A residue 1639 LEU Chi-restraints excluded: chain A residue 1647 CYS Chi-restraints excluded: chain A residue 1648 MET Chi-restraints excluded: chain A residue 1653 LEU Chi-restraints excluded: chain A residue 1664 SER Chi-restraints excluded: chain A residue 1666 THR Chi-restraints excluded: chain A residue 1681 VAL Chi-restraints excluded: chain A residue 1695 LEU Chi-restraints excluded: chain A residue 1700 ASP Chi-restraints excluded: chain A residue 1702 HIS Chi-restraints excluded: chain A residue 1703 LEU Chi-restraints excluded: chain A residue 1717 SER Chi-restraints excluded: chain A residue 1720 LEU Chi-restraints excluded: chain A residue 1721 GLU Chi-restraints excluded: chain A residue 1730 MET 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 1742 THR Chi-restraints excluded: chain A residue 1762 LEU Chi-restraints excluded: chain A residue 1765 VAL Chi-restraints excluded: chain A residue 1767 VAL Chi-restraints excluded: chain A residue 1769 THR Chi-restraints excluded: chain A residue 1802 ILE Chi-restraints excluded: chain A residue 1833 SER Chi-restraints excluded: chain A residue 1845 VAL Chi-restraints excluded: chain A residue 1847 THR Chi-restraints excluded: chain A residue 1935 VAL Chi-restraints excluded: chain A residue 1948 ASP Chi-restraints excluded: chain A residue 1955 VAL Chi-restraints excluded: chain A residue 1963 GLU Chi-restraints excluded: chain A residue 1969 LEU Chi-restraints excluded: chain A residue 1980 LEU Chi-restraints excluded: chain A residue 2006 ILE Chi-restraints excluded: chain A residue 2010 LEU Chi-restraints excluded: chain A residue 2011 HIS Chi-restraints excluded: chain A residue 2097 LEU Chi-restraints excluded: chain A residue 2099 SER Chi-restraints excluded: chain A residue 2122 SER Chi-restraints excluded: chain A residue 2125 HIS Chi-restraints excluded: chain A residue 2126 ARG Chi-restraints excluded: chain A residue 2140 ARG Chi-restraints excluded: chain A residue 2148 SER Chi-restraints excluded: chain A residue 2152 THR Chi-restraints excluded: chain A residue 2164 SER 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 2172 PRO Chi-restraints excluded: chain A residue 2187 ASN Chi-restraints excluded: chain A residue 2191 PHE Chi-restraints excluded: chain A residue 2192 TYR Chi-restraints excluded: chain A residue 2194 HIS Chi-restraints excluded: chain A residue 2198 MET Chi-restraints excluded: chain A residue 2210 VAL Chi-restraints excluded: chain A residue 2215 LEU Chi-restraints excluded: chain A residue 2240 CYS Chi-restraints excluded: chain A residue 2246 ASN Chi-restraints excluded: chain A residue 2249 SER Chi-restraints excluded: chain A residue 2253 HIS Chi-restraints excluded: chain A residue 2281 ILE Chi-restraints excluded: chain A residue 2286 LEU Chi-restraints excluded: chain A residue 2291 GLN Chi-restraints excluded: chain A residue 2292 GLU Chi-restraints excluded: chain A residue 2299 VAL Chi-restraints excluded: chain A residue 2300 SER Chi-restraints excluded: chain A residue 2301 TYR Chi-restraints excluded: chain A residue 2319 PRO Chi-restraints excluded: chain A residue 2341 VAL Chi-restraints excluded: chain A residue 2364 PHE Chi-restraints excluded: chain A residue 2418 LEU Chi-restraints excluded: chain A residue 2420 HIS Chi-restraints excluded: chain A residue 2438 PRO Chi-restraints excluded: chain A residue 2442 LEU Chi-restraints excluded: chain A residue 2443 ILE Chi-restraints excluded: chain A residue 2451 LEU Chi-restraints excluded: chain A residue 2456 ILE Chi-restraints excluded: chain A residue 2457 LEU Chi-restraints excluded: chain A residue 2460 LEU Chi-restraints excluded: chain A residue 2736 ASP Chi-restraints excluded: chain A residue 2752 ASP Chi-restraints excluded: chain A residue 2762 THR Chi-restraints excluded: chain A residue 2779 GLU Chi-restraints excluded: chain A residue 2790 MET Chi-restraints excluded: chain A residue 2807 TRP Chi-restraints excluded: chain A residue 2809 ILE Chi-restraints excluded: chain A residue 2811 GLU Chi-restraints excluded: chain A residue 2883 HIS Chi-restraints excluded: chain A residue 2892 GLN Chi-restraints excluded: chain A residue 2904 LEU Chi-restraints excluded: chain A residue 2905 LEU Chi-restraints excluded: chain A residue 2937 VAL Chi-restraints excluded: chain A residue 3642 TYR Chi-restraints excluded: chain A residue 3647 HIS Chi-restraints excluded: chain A residue 3648 ARG Chi-restraints excluded: chain A residue 3657 TYR Chi-restraints excluded: chain A residue 3661 TRP Chi-restraints excluded: chain A residue 3669 PHE Chi-restraints excluded: chain A residue 3674 ILE Chi-restraints excluded: chain A residue 3678 SER Chi-restraints excluded: chain A residue 3696 ASP Chi-restraints excluded: chain A residue 3708 THR Chi-restraints excluded: chain A residue 3710 LEU Chi-restraints excluded: chain A residue 3712 GLU Chi-restraints excluded: chain A residue 3727 ASP Chi-restraints excluded: chain A residue 3728 ILE Chi-restraints excluded: chain A residue 3733 CYS Chi-restraints excluded: chain A residue 3765 TYR Chi-restraints excluded: chain A residue 3790 THR Chi-restraints excluded: chain A residue 3795 SER Chi-restraints excluded: chain A residue 3803 SER Chi-restraints excluded: chain A residue 3804 ILE Chi-restraints excluded: chain A residue 3805 LEU Chi-restraints excluded: chain A residue 3809 ASN Chi-restraints excluded: chain A residue 3822 ASP Chi-restraints excluded: chain A residue 3825 GLU Chi-restraints excluded: chain A residue 3835 LEU Chi-restraints excluded: chain A residue 3836 MET Chi-restraints excluded: chain A residue 3838 THR Chi-restraints excluded: chain A residue 3886 ARG Chi-restraints excluded: chain A residue 3892 CYS Chi-restraints excluded: chain A residue 3899 PHE Chi-restraints excluded: chain A residue 3905 THR Chi-restraints excluded: chain A residue 3910 THR Chi-restraints excluded: chain A residue 3911 THR Chi-restraints excluded: chain A residue 3913 ILE Chi-restraints excluded: chain A residue 3930 ILE Chi-restraints excluded: chain A residue 3938 SER Chi-restraints excluded: chain A residue 3950 ASN Chi-restraints excluded: chain A residue 3964 SER Chi-restraints excluded: chain A residue 3966 THR Chi-restraints excluded: chain A residue 3974 THR Chi-restraints excluded: chain A residue 3979 SER Chi-restraints excluded: chain A residue 4021 LYS Chi-restraints excluded: chain A residue 4040 ILE Chi-restraints excluded: chain A residue 4045 VAL Chi-restraints excluded: chain A residue 4054 ASN Chi-restraints excluded: chain A residue 4081 VAL Chi-restraints excluded: chain A residue 4082 THR Chi-restraints excluded: chain A residue 4083 ASP Chi-restraints excluded: chain A residue 4088 ILE Chi-restraints excluded: chain A residue 4092 ASP Chi-restraints excluded: chain A residue 4097 MET Chi-restraints excluded: chain A residue 4098 ASP Chi-restraints excluded: chain A residue 4102 GLN Chi-restraints excluded: chain A residue 4104 THR Chi-restraints excluded: chain A residue 4108 ILE Chi-restraints excluded: chain A residue 4113 SER Chi-restraints excluded: chain A residue 4115 SER Chi-restraints excluded: chain A residue 4118 ASP Chi-restraints excluded: chain A residue 4123 ILE Chi-restraints excluded: chain A residue 4125 PHE Chi-restraints excluded: chain A residue 4132 PHE Chi-restraints excluded: chain A residue 4142 ASN Chi-restraints excluded: chain A residue 4166 LEU Chi-restraints excluded: chain A residue 4168 GLU Chi-restraints excluded: chain A residue 4180 ARG Chi-restraints excluded: chain A residue 4182 GLU Chi-restraints excluded: chain A residue 4197 ILE Chi-restraints excluded: chain A residue 4199 GLU Chi-restraints excluded: chain A residue 4205 TRP Chi-restraints excluded: chain A residue 4241 THR Chi-restraints excluded: chain A residue 4251 ILE Chi-restraints excluded: chain A residue 4553 ASN Chi-restraints excluded: chain A residue 4561 THR Chi-restraints excluded: chain A residue 4562 LEU Chi-restraints excluded: chain A residue 4573 ILE Chi-restraints excluded: chain A residue 4580 TYR Chi-restraints excluded: chain A residue 4628 VAL Chi-restraints excluded: chain A residue 4631 PHE Chi-restraints excluded: chain A residue 4634 GLU Chi-restraints excluded: chain A residue 4638 TYR Chi-restraints excluded: chain A residue 4639 MET Chi-restraints excluded: chain A residue 4647 SER Chi-restraints excluded: chain A residue 4648 LEU Chi-restraints excluded: chain A residue 4651 THR Chi-restraints excluded: chain A residue 4676 GLU Chi-restraints excluded: chain A residue 4688 ILE Chi-restraints excluded: chain A residue 4724 VAL Chi-restraints excluded: chain A residue 4730 ASP Chi-restraints excluded: chain A residue 4743 MET Chi-restraints excluded: chain A residue 4744 ASP Chi-restraints excluded: chain A residue 4765 LEU Chi-restraints excluded: chain A residue 4768 LEU Chi-restraints excluded: chain A residue 4771 ILE Chi-restraints excluded: chain A residue 4785 THR Chi-restraints excluded: chain A residue 4797 VAL Chi-restraints excluded: chain A residue 4804 TYR Chi-restraints excluded: chain A residue 4818 MET Chi-restraints excluded: chain A residue 4822 THR Chi-restraints excluded: chain A residue 4828 SER Chi-restraints excluded: chain A residue 4840 THR Chi-restraints excluded: chain A residue 4858 PHE Chi-restraints excluded: chain A residue 4870 ASP Chi-restraints excluded: chain A residue 4873 ASP Chi-restraints excluded: chain A residue 4876 CYS Chi-restraints excluded: chain A residue 4879 MET Chi-restraints excluded: chain A residue 4881 THR Chi-restraints excluded: chain A residue 4887 MET Chi-restraints excluded: chain A residue 4891 VAL Chi-restraints excluded: chain A residue 4910 GLU Chi-restraints excluded: chain A residue 4915 VAL Chi-restraints excluded: chain A residue 4919 THR Chi-restraints excluded: chain A residue 4925 ILE Chi-restraints excluded: chain A residue 4928 LEU Chi-restraints excluded: chain A residue 4938 ASP Chi-restraints excluded: chain A residue 4947 GLN Chi-restraints excluded: chain A residue 4950 VAL Chi-restraints excluded: chain A residue 4952 GLU Chi-restraints excluded: chain A residue 4953 ASP Chi-restraints excluded: chain A residue 4961 CYS Chi-restraints excluded: chain A residue 4963 ILE Chi-restraints excluded: chain A residue 4965 SER Chi-restraints excluded: chain A residue 4970 THR Chi-restraints excluded: chain A residue 4977 THR Chi-restraints excluded: chain A residue 4979 THR Chi-restraints excluded: chain A residue 4985 LEU Chi-restraints excluded: chain A residue 4997 ASN Chi-restraints excluded: chain A residue 5001 THR Chi-restraints excluded: chain A residue 5008 SER Chi-restraints excluded: chain A residue 5018 CYS Chi-restraints excluded: chain A residue 5021 PHE Chi-restraints excluded: chain A residue 5034 ASP Chi-restraints excluded: chain A residue 5036 LEU Chi-restraints excluded: chain A residue 5037 SER Chi-restraints excluded: chain C residue 17 ASP Chi-restraints excluded: chain C residue 20 VAL Chi-restraints excluded: chain C residue 37 LEU Chi-restraints excluded: chain C residue 49 LEU Chi-restraints excluded: chain C residue 57 ASN Chi-restraints excluded: chain C residue 58 VAL Chi-restraints excluded: chain C residue 64 ILE Chi-restraints excluded: chain C residue 68 THR Chi-restraints excluded: chain C residue 74 SER Chi-restraints excluded: chain C residue 75 VAL Chi-restraints excluded: chain C residue 81 MET Chi-restraints excluded: chain C residue 111 HIS Chi-restraints excluded: chain C residue 114 SER Chi-restraints excluded: chain C residue 119 SER Chi-restraints excluded: chain C residue 124 SER Chi-restraints excluded: chain C residue 131 LEU Chi-restraints excluded: chain C residue 134 ASP Chi-restraints excluded: chain C residue 144 GLU Chi-restraints excluded: chain C residue 149 THR Chi-restraints excluded: chain C residue 154 SER Chi-restraints excluded: chain C residue 161 GLU Chi-restraints excluded: chain C residue 162 LYS Chi-restraints excluded: chain C residue 164 ARG Chi-restraints excluded: chain C residue 167 ASP Chi-restraints excluded: chain C residue 174 VAL Chi-restraints excluded: chain C residue 177 GLU Chi-restraints excluded: chain C residue 194 SER Chi-restraints excluded: chain C residue 206 CYS Chi-restraints excluded: chain C residue 219 VAL Chi-restraints excluded: chain C residue 222 LEU Chi-restraints excluded: chain C residue 229 GLU Chi-restraints excluded: chain C residue 232 THR Chi-restraints excluded: chain C residue 258 SER Chi-restraints excluded: chain C residue 262 LEU Chi-restraints excluded: chain C residue 283 ARG Chi-restraints excluded: chain C residue 285 VAL Chi-restraints excluded: chain C residue 286 THR Chi-restraints excluded: chain C residue 287 THR Chi-restraints excluded: chain C residue 299 LEU Chi-restraints excluded: chain C residue 300 VAL Chi-restraints excluded: chain C residue 303 ASP Chi-restraints excluded: chain C residue 312 THR Chi-restraints excluded: chain C residue 315 CYS Chi-restraints excluded: chain C residue 320 LYS Chi-restraints excluded: chain C residue 345 LEU Chi-restraints excluded: chain C residue 358 THR Chi-restraints excluded: chain C residue 359 TYR Chi-restraints excluded: chain C residue 373 LYS Chi-restraints excluded: chain C residue 388 LEU Chi-restraints excluded: chain C residue 389 PHE Chi-restraints excluded: chain C residue 419 ASP Chi-restraints excluded: chain C residue 422 SER Chi-restraints excluded: chain C residue 424 LYS Chi-restraints excluded: chain C residue 436 LEU Chi-restraints excluded: chain C residue 444 SER Chi-restraints excluded: chain C residue 455 PRO Chi-restraints excluded: chain C residue 459 LEU Chi-restraints excluded: chain C residue 470 SER Chi-restraints excluded: chain C residue 477 LEU Chi-restraints excluded: chain C residue 478 PHE Chi-restraints excluded: chain C residue 483 MET Chi-restraints excluded: chain C residue 487 VAL Chi-restraints excluded: chain C residue 494 LEU Chi-restraints excluded: chain C residue 497 TYR Chi-restraints excluded: chain C residue 499 THR Chi-restraints excluded: chain C residue 503 PHE Chi-restraints excluded: chain C residue 510 GLU Chi-restraints excluded: chain C residue 513 GLU Chi-restraints excluded: chain C residue 514 SER Chi-restraints excluded: chain C residue 517 GLU Chi-restraints excluded: chain C residue 519 VAL Chi-restraints excluded: chain C residue 526 LEU Chi-restraints excluded: chain C residue 534 ARG Chi-restraints excluded: chain C residue 542 THR Chi-restraints excluded: chain C residue 549 SER Chi-restraints excluded: chain C residue 553 ARG Chi-restraints excluded: chain C residue 554 LEU Chi-restraints excluded: chain C residue 566 CYS Chi-restraints excluded: chain C residue 581 ASN Chi-restraints excluded: chain C residue 587 ILE Chi-restraints excluded: chain C residue 600 LEU Chi-restraints excluded: chain C residue 608 VAL Chi-restraints excluded: chain C residue 614 VAL Chi-restraints excluded: chain C residue 622 THR Chi-restraints excluded: chain C residue 634 GLN Chi-restraints excluded: chain C residue 637 LEU Chi-restraints excluded: chain C residue 641 VAL Chi-restraints excluded: chain C residue 643 SER Chi-restraints excluded: chain C residue 648 ILE Chi-restraints excluded: chain C residue 650 VAL Chi-restraints excluded: chain C residue 659 TYR Chi-restraints excluded: chain C residue 662 TRP Chi-restraints excluded: chain C residue 663 TYR Chi-restraints excluded: chain C residue 669 ASP Chi-restraints excluded: chain C residue 671 VAL Chi-restraints excluded: chain C residue 674 PHE Chi-restraints excluded: chain C residue 684 VAL Chi-restraints excluded: chain C residue 700 GLU Chi-restraints excluded: chain C residue 710 ASP Chi-restraints excluded: chain C residue 716 PHE Chi-restraints excluded: chain C residue 723 THR Chi-restraints excluded: chain C residue 726 VAL Chi-restraints excluded: chain C residue 730 VAL Chi-restraints excluded: chain C residue 737 LEU Chi-restraints excluded: chain C residue 744 VAL Chi-restraints excluded: chain C residue 749 ASP Chi-restraints excluded: chain C residue 752 VAL Chi-restraints excluded: chain C residue 754 SER Chi-restraints excluded: chain C residue 758 ARG Chi-restraints excluded: chain C residue 759 ILE Chi-restraints excluded: chain C residue 780 VAL Chi-restraints excluded: chain C residue 781 VAL Chi-restraints excluded: chain C residue 787 VAL Chi-restraints excluded: chain C residue 791 PHE Chi-restraints excluded: chain C residue 800 PHE Chi-restraints excluded: chain C residue 803 LEU Chi-restraints excluded: chain C residue 812 HIS Chi-restraints excluded: chain C residue 831 ARG Chi-restraints excluded: chain C residue 840 VAL Chi-restraints excluded: chain C residue 850 ASP Chi-restraints excluded: chain C residue 859 VAL Chi-restraints excluded: chain C residue 867 LEU Chi-restraints excluded: chain C residue 868 GLU Chi-restraints excluded: chain C residue 870 ILE Chi-restraints excluded: chain C residue 907 LEU Chi-restraints excluded: chain C residue 944 GLU Chi-restraints excluded: chain C residue 961 MET Chi-restraints excluded: chain C residue 972 LEU Chi-restraints excluded: chain C residue 974 HIS Chi-restraints excluded: chain C residue 978 THR Chi-restraints excluded: chain C residue 1046 LEU Chi-restraints excluded: chain C residue 1047 LEU Chi-restraints excluded: chain C residue 1076 ARG Chi-restraints excluded: chain C residue 1112 ASP Chi-restraints excluded: chain C residue 1113 VAL Chi-restraints excluded: chain C residue 1118 ASP Chi-restraints excluded: chain C residue 1120 LEU Chi-restraints excluded: chain C residue 1133 HIS Chi-restraints excluded: chain C residue 1148 VAL Chi-restraints excluded: chain C residue 1149 VAL Chi-restraints excluded: chain C residue 1152 MET Chi-restraints excluded: chain C residue 1153 ILE Chi-restraints excluded: chain C residue 1159 THR Chi-restraints excluded: chain C residue 1164 LEU Chi-restraints excluded: chain C residue 1179 PHE Chi-restraints excluded: chain C residue 1191 VAL Chi-restraints excluded: chain C residue 1193 SER Chi-restraints excluded: chain C residue 1198 GLN Chi-restraints excluded: chain C residue 1201 HIS 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 1220 GLN Chi-restraints excluded: chain C residue 1234 VAL Chi-restraints excluded: chain C residue 1235 THR Chi-restraints excluded: chain C residue 1238 PHE Chi-restraints excluded: chain C residue 1240 LYS Chi-restraints excluded: chain C residue 1260 MET Chi-restraints excluded: chain C residue 1274 HIS Chi-restraints excluded: chain C residue 1574 PRO Chi-restraints excluded: chain C residue 1597 VAL Chi-restraints excluded: chain C residue 1600 LEU Chi-restraints excluded: chain C residue 1608 MET Chi-restraints excluded: chain C residue 1612 PHE Chi-restraints excluded: chain C residue 1635 THR Chi-restraints excluded: chain C residue 1637 MET Chi-restraints excluded: chain C residue 1639 LEU Chi-restraints excluded: chain C residue 1647 CYS Chi-restraints excluded: chain C residue 1648 MET Chi-restraints excluded: chain C residue 1653 LEU Chi-restraints excluded: chain C residue 1664 SER Chi-restraints excluded: chain C residue 1666 THR Chi-restraints excluded: chain C residue 1681 VAL Chi-restraints excluded: chain C residue 1695 LEU Chi-restraints excluded: chain C residue 1700 ASP Chi-restraints excluded: chain C residue 1702 HIS Chi-restraints excluded: chain C residue 1703 LEU 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 1721 GLU Chi-restraints excluded: chain C residue 1730 MET Chi-restraints excluded: chain C residue 1736 VAL Chi-restraints excluded: chain C residue 1739 THR Chi-restraints excluded: chain C residue 1742 THR Chi-restraints excluded: chain C residue 1762 LEU Chi-restraints excluded: chain C residue 1765 VAL Chi-restraints excluded: chain C residue 1767 VAL Chi-restraints excluded: chain C residue 1769 THR Chi-restraints excluded: chain C residue 1786 LEU Chi-restraints excluded: chain C residue 1798 LEU Chi-restraints excluded: chain C residue 1802 ILE Chi-restraints excluded: chain C residue 1833 SER Chi-restraints excluded: chain C residue 1845 VAL Chi-restraints excluded: chain C residue 1847 THR Chi-restraints excluded: chain C residue 1935 VAL Chi-restraints excluded: chain C residue 1948 ASP Chi-restraints excluded: chain C residue 1953 HIS Chi-restraints excluded: chain C residue 1955 VAL Chi-restraints excluded: chain C residue 1963 GLU Chi-restraints excluded: chain C residue 1969 LEU Chi-restraints excluded: chain C residue 1980 LEU Chi-restraints excluded: chain C residue 2006 ILE Chi-restraints excluded: chain C residue 2010 LEU Chi-restraints excluded: chain C residue 2011 HIS Chi-restraints excluded: chain C residue 2041 HIS Chi-restraints excluded: chain C residue 2097 LEU Chi-restraints excluded: chain C residue 2099 SER Chi-restraints excluded: chain C residue 2122 SER Chi-restraints excluded: chain C residue 2148 SER Chi-restraints excluded: chain C residue 2152 THR Chi-restraints excluded: chain C residue 2164 SER 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 2172 PRO Chi-restraints excluded: chain C residue 2187 ASN Chi-restraints excluded: chain C residue 2191 PHE Chi-restraints excluded: chain C residue 2192 TYR Chi-restraints excluded: chain C residue 2194 HIS Chi-restraints excluded: chain C residue 2210 VAL Chi-restraints excluded: chain C residue 2215 LEU Chi-restraints excluded: chain C residue 2240 CYS Chi-restraints excluded: chain C residue 2246 ASN Chi-restraints excluded: chain C residue 2249 SER Chi-restraints excluded: chain C residue 2253 HIS Chi-restraints excluded: chain C residue 2281 ILE Chi-restraints excluded: chain C residue 2286 LEU Chi-restraints excluded: chain C residue 2291 GLN Chi-restraints excluded: chain C residue 2299 VAL Chi-restraints excluded: chain C residue 2300 SER Chi-restraints excluded: chain C residue 2301 TYR Chi-restraints excluded: chain C residue 2319 PRO Chi-restraints excluded: chain C residue 2341 VAL Chi-restraints excluded: chain C residue 2364 PHE Chi-restraints excluded: chain C residue 2418 LEU Chi-restraints excluded: chain C residue 2420 HIS Chi-restraints excluded: chain C residue 2438 PRO Chi-restraints excluded: chain C residue 2442 LEU Chi-restraints excluded: chain C residue 2443 ILE Chi-restraints excluded: chain C residue 2451 LEU Chi-restraints excluded: chain C residue 2456 ILE Chi-restraints excluded: chain C residue 2457 LEU Chi-restraints excluded: chain C residue 2460 LEU Chi-restraints excluded: chain C residue 2736 ASP Chi-restraints excluded: chain C residue 2752 ASP Chi-restraints excluded: chain C residue 2762 THR Chi-restraints excluded: chain C residue 2779 GLU Chi-restraints excluded: chain C residue 2785 LEU Chi-restraints excluded: chain C residue 2790 MET Chi-restraints excluded: chain C residue 2807 TRP Chi-restraints excluded: chain C residue 2809 ILE Chi-restraints excluded: chain C residue 2811 GLU Chi-restraints excluded: chain C residue 2813 LEU Chi-restraints excluded: chain C residue 2869 ARG Chi-restraints excluded: chain C residue 2872 GLN Chi-restraints excluded: chain C residue 2880 GLU Chi-restraints excluded: chain C residue 2892 GLN Chi-restraints excluded: chain C residue 2904 LEU Chi-restraints excluded: chain C residue 2905 LEU Chi-restraints excluded: chain C residue 2937 VAL Chi-restraints excluded: chain C residue 3642 TYR Chi-restraints excluded: chain C residue 3647 HIS Chi-restraints excluded: chain C residue 3648 ARG Chi-restraints excluded: chain C residue 3657 TYR Chi-restraints excluded: chain C residue 3661 TRP Chi-restraints excluded: chain C residue 3663 LEU Chi-restraints excluded: chain C residue 3669 PHE Chi-restraints excluded: chain C residue 3676 ASP Chi-restraints excluded: chain C residue 3678 SER Chi-restraints excluded: chain C residue 3696 ASP Chi-restraints excluded: chain C residue 3708 THR Chi-restraints excluded: chain C residue 3712 GLU Chi-restraints excluded: chain C residue 3733 CYS Chi-restraints excluded: chain C residue 3765 TYR Chi-restraints excluded: chain C residue 3790 THR Chi-restraints excluded: chain C residue 3795 SER Chi-restraints excluded: chain C residue 3803 SER Chi-restraints excluded: chain C residue 3804 ILE Chi-restraints excluded: chain C residue 3805 LEU Chi-restraints excluded: chain C residue 3809 ASN Chi-restraints excluded: chain C residue 3822 ASP Chi-restraints excluded: chain C residue 3825 GLU Chi-restraints excluded: chain C residue 3835 LEU Chi-restraints excluded: chain C residue 3836 MET Chi-restraints excluded: chain C residue 3838 THR Chi-restraints excluded: chain C residue 3886 ARG Chi-restraints excluded: chain C residue 3892 CYS Chi-restraints excluded: chain C residue 3899 PHE Chi-restraints excluded: chain C residue 3905 THR Chi-restraints excluded: chain C residue 3910 THR Chi-restraints excluded: chain C residue 3911 THR Chi-restraints excluded: chain C residue 3913 ILE Chi-restraints excluded: chain C residue 3930 ILE Chi-restraints excluded: chain C residue 3938 SER Chi-restraints excluded: chain C residue 3950 ASN Chi-restraints excluded: chain C residue 3964 SER Chi-restraints excluded: chain C residue 3966 THR Chi-restraints excluded: chain C residue 3974 THR Chi-restraints excluded: chain C residue 3979 SER Chi-restraints excluded: chain C residue 3995 VAL Chi-restraints excluded: chain C residue 4001 MET Chi-restraints excluded: chain C residue 4021 LYS Chi-restraints excluded: chain C residue 4054 ASN Chi-restraints excluded: chain C residue 4081 VAL 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 4092 ASP Chi-restraints excluded: chain C residue 4097 MET Chi-restraints excluded: chain C residue 4098 ASP Chi-restraints excluded: chain C residue 4104 THR Chi-restraints excluded: chain C residue 4108 ILE Chi-restraints excluded: chain C residue 4113 SER Chi-restraints excluded: chain C residue 4115 SER Chi-restraints excluded: chain C residue 4118 ASP Chi-restraints excluded: chain C residue 4123 ILE Chi-restraints excluded: chain C residue 4125 PHE Chi-restraints excluded: chain C residue 4132 PHE Chi-restraints excluded: chain C residue 4142 ASN Chi-restraints excluded: chain C residue 4166 LEU Chi-restraints excluded: chain C residue 4168 GLU Chi-restraints excluded: chain C residue 4180 ARG Chi-restraints excluded: chain C residue 4182 GLU Chi-restraints excluded: chain C residue 4187 SER Chi-restraints excluded: chain C residue 4197 ILE Chi-restraints excluded: chain C residue 4199 GLU Chi-restraints excluded: chain C residue 4205 TRP Chi-restraints excluded: chain C residue 4241 THR Chi-restraints excluded: chain C residue 4251 ILE Chi-restraints excluded: chain C residue 4553 ASN Chi-restraints excluded: chain C residue 4561 THR Chi-restraints excluded: chain C residue 4562 LEU Chi-restraints excluded: chain C residue 4573 ILE Chi-restraints excluded: chain C residue 4580 TYR Chi-restraints excluded: chain C residue 4628 VAL Chi-restraints excluded: chain C residue 4631 PHE Chi-restraints excluded: chain C residue 4634 GLU Chi-restraints excluded: chain C residue 4638 TYR Chi-restraints excluded: chain C residue 4647 SER Chi-restraints excluded: chain C residue 4648 LEU Chi-restraints excluded: chain C residue 4651 THR Chi-restraints excluded: chain C residue 4676 GLU Chi-restraints excluded: chain C residue 4688 ILE Chi-restraints excluded: chain C residue 4724 VAL Chi-restraints excluded: chain C residue 4730 ASP Chi-restraints excluded: chain C residue 4743 MET Chi-restraints excluded: chain C residue 4744 ASP Chi-restraints excluded: chain C residue 4765 LEU Chi-restraints excluded: chain C residue 4768 LEU Chi-restraints excluded: chain C residue 4771 ILE Chi-restraints excluded: chain C residue 4785 THR Chi-restraints excluded: chain C residue 4797 VAL Chi-restraints excluded: chain C residue 4803 HIS Chi-restraints excluded: chain C residue 4804 TYR Chi-restraints excluded: chain C residue 4818 MET Chi-restraints excluded: chain C residue 4822 THR Chi-restraints excluded: chain C residue 4828 SER Chi-restraints excluded: chain C residue 4840 THR Chi-restraints excluded: chain C residue 4852 THR Chi-restraints excluded: chain C residue 4856 PHE Chi-restraints excluded: chain C residue 4858 PHE Chi-restraints excluded: chain C residue 4861 LYS Chi-restraints excluded: chain C residue 4869 GLU Chi-restraints excluded: chain C residue 4870 ASP Chi-restraints excluded: chain C residue 4873 ASP Chi-restraints excluded: chain C residue 4879 MET Chi-restraints excluded: chain C residue 4881 THR Chi-restraints excluded: chain C residue 4884 LEU Chi-restraints excluded: chain C residue 4887 MET Chi-restraints excluded: chain C residue 4891 VAL Chi-restraints excluded: chain C residue 4892 ARG Chi-restraints excluded: chain C residue 4910 GLU Chi-restraints excluded: chain C residue 4913 ARG Chi-restraints excluded: chain C residue 4915 VAL Chi-restraints excluded: chain C residue 4916 PHE Chi-restraints excluded: chain C residue 4917 ASP Chi-restraints excluded: chain C residue 4919 THR Chi-restraints excluded: chain C residue 4925 ILE Chi-restraints excluded: chain C residue 4938 ASP Chi-restraints excluded: chain C residue 4947 GLN Chi-restraints excluded: chain C residue 4950 VAL Chi-restraints excluded: chain C residue 4952 GLU Chi-restraints excluded: chain C residue 4953 ASP Chi-restraints excluded: chain C residue 4956 THR Chi-restraints excluded: chain C residue 4961 CYS Chi-restraints excluded: chain C residue 4963 ILE Chi-restraints excluded: chain C residue 4965 SER Chi-restraints excluded: chain C residue 4970 THR Chi-restraints excluded: chain C residue 4977 THR Chi-restraints excluded: chain C residue 4979 THR Chi-restraints excluded: chain C residue 4981 GLU Chi-restraints excluded: chain C residue 4985 LEU Chi-restraints excluded: chain C residue 4997 ASN Chi-restraints excluded: chain C residue 5001 THR Chi-restraints excluded: chain C residue 5008 SER Chi-restraints excluded: chain C residue 5018 CYS Chi-restraints excluded: chain C residue 5021 PHE Chi-restraints excluded: chain C residue 5034 ASP Chi-restraints excluded: chain C residue 5036 LEU Chi-restraints excluded: chain C residue 5037 SER Chi-restraints excluded: chain D residue 17 ASP Chi-restraints excluded: chain D residue 20 VAL Chi-restraints excluded: chain D residue 37 LEU Chi-restraints excluded: chain D residue 49 LEU Chi-restraints excluded: chain D residue 57 ASN Chi-restraints excluded: chain D residue 58 VAL Chi-restraints excluded: chain D residue 64 ILE Chi-restraints excluded: chain D residue 68 THR Chi-restraints excluded: chain D residue 69 LEU Chi-restraints excluded: chain D residue 71 GLN Chi-restraints excluded: chain D residue 74 SER Chi-restraints excluded: chain D residue 75 VAL Chi-restraints excluded: chain D residue 81 MET Chi-restraints excluded: chain D residue 98 HIS Chi-restraints excluded: chain D residue 111 HIS Chi-restraints excluded: chain D residue 114 SER Chi-restraints excluded: chain D residue 119 SER Chi-restraints excluded: chain D residue 124 SER Chi-restraints excluded: chain D residue 131 LEU Chi-restraints excluded: chain D residue 134 ASP Chi-restraints excluded: chain D residue 144 GLU Chi-restraints excluded: chain D residue 149 THR Chi-restraints excluded: chain D residue 151 HIS Chi-restraints excluded: chain D residue 154 SER Chi-restraints excluded: chain D residue 159 GLU Chi-restraints excluded: chain D residue 162 LYS Chi-restraints excluded: chain D residue 164 ARG Chi-restraints excluded: chain D residue 167 ASP Chi-restraints excluded: chain D residue 174 VAL Chi-restraints excluded: chain D residue 177 GLU Chi-restraints excluded: chain D residue 194 SER Chi-restraints excluded: chain D residue 206 CYS Chi-restraints excluded: chain D residue 211 GLU Chi-restraints excluded: chain D residue 219 VAL Chi-restraints excluded: chain D residue 222 LEU Chi-restraints excluded: chain D residue 229 GLU Chi-restraints excluded: chain D residue 232 THR Chi-restraints excluded: chain D residue 258 SER Chi-restraints excluded: chain D residue 262 LEU Chi-restraints excluded: chain D residue 286 THR Chi-restraints excluded: chain D residue 299 LEU Chi-restraints excluded: chain D residue 300 VAL Chi-restraints excluded: chain D residue 303 ASP Chi-restraints excluded: chain D residue 312 THR Chi-restraints excluded: chain D residue 315 CYS Chi-restraints excluded: chain D residue 320 LYS Chi-restraints excluded: chain D residue 345 LEU Chi-restraints excluded: chain D residue 359 TYR Chi-restraints excluded: chain D residue 373 LYS Chi-restraints excluded: chain D residue 388 LEU Chi-restraints excluded: chain D residue 389 PHE Chi-restraints excluded: chain D residue 419 ASP Chi-restraints excluded: chain D residue 422 SER Chi-restraints excluded: chain D residue 424 LYS Chi-restraints excluded: chain D residue 436 LEU Chi-restraints excluded: chain D residue 444 SER Chi-restraints excluded: chain D residue 448 LEU Chi-restraints excluded: chain D residue 455 PRO Chi-restraints excluded: chain D residue 459 LEU Chi-restraints excluded: chain D residue 470 SER Chi-restraints excluded: chain D residue 472 ARG Chi-restraints excluded: chain D residue 477 LEU Chi-restraints excluded: chain D residue 478 PHE Chi-restraints excluded: chain D residue 483 MET Chi-restraints excluded: chain D residue 487 VAL Chi-restraints excluded: chain D residue 494 LEU Chi-restraints excluded: chain D residue 497 TYR Chi-restraints excluded: chain D residue 499 THR Chi-restraints excluded: chain D residue 503 PHE Chi-restraints excluded: chain D residue 510 GLU Chi-restraints excluded: chain D residue 513 GLU Chi-restraints excluded: chain D residue 514 SER Chi-restraints excluded: chain D residue 517 GLU Chi-restraints excluded: chain D residue 519 VAL Chi-restraints excluded: chain D residue 526 LEU Chi-restraints excluded: chain D residue 534 ARG Chi-restraints excluded: chain D residue 542 THR 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 566 CYS Chi-restraints excluded: chain D residue 578 ILE Chi-restraints excluded: chain D residue 581 ASN Chi-restraints excluded: chain D residue 600 LEU Chi-restraints excluded: chain D residue 608 VAL Chi-restraints excluded: chain D residue 612 VAL Chi-restraints excluded: chain D residue 614 VAL Chi-restraints excluded: chain D residue 622 THR Chi-restraints excluded: chain D residue 626 LEU Chi-restraints excluded: chain D residue 634 GLN Chi-restraints excluded: chain D residue 637 LEU Chi-restraints excluded: chain D residue 641 VAL Chi-restraints excluded: chain D residue 643 SER Chi-restraints excluded: chain D residue 650 VAL Chi-restraints excluded: chain D residue 659 TYR Chi-restraints excluded: chain D residue 662 TRP Chi-restraints excluded: chain D residue 663 TYR Chi-restraints excluded: chain D residue 669 ASP Chi-restraints excluded: chain D residue 671 VAL Chi-restraints excluded: chain D residue 674 PHE Chi-restraints excluded: chain D residue 684 VAL Chi-restraints excluded: chain D residue 700 GLU Chi-restraints excluded: chain D residue 710 ASP Chi-restraints excluded: chain D residue 716 PHE Chi-restraints excluded: chain D residue 723 THR Chi-restraints excluded: chain D residue 726 VAL Chi-restraints excluded: chain D residue 730 VAL Chi-restraints excluded: chain D residue 737 LEU Chi-restraints excluded: chain D residue 744 VAL Chi-restraints excluded: chain D residue 749 ASP Chi-restraints excluded: chain D residue 752 VAL Chi-restraints excluded: chain D residue 754 SER Chi-restraints excluded: chain D residue 758 ARG Chi-restraints excluded: chain D residue 759 ILE Chi-restraints excluded: chain D residue 780 VAL Chi-restraints excluded: chain D residue 781 VAL Chi-restraints excluded: chain D residue 787 VAL Chi-restraints excluded: chain D residue 791 PHE Chi-restraints excluded: chain D residue 800 PHE Chi-restraints excluded: chain D residue 803 LEU Chi-restraints excluded: chain D residue 812 HIS Chi-restraints excluded: chain D residue 831 ARG Chi-restraints excluded: chain D residue 840 VAL Chi-restraints excluded: chain D residue 850 ASP Chi-restraints excluded: chain D residue 859 VAL Chi-restraints excluded: chain D residue 867 LEU Chi-restraints excluded: chain D residue 868 GLU Chi-restraints excluded: chain D residue 870 ILE Chi-restraints excluded: chain D residue 907 LEU Chi-restraints excluded: chain D residue 944 GLU Chi-restraints excluded: chain D residue 972 LEU Chi-restraints excluded: chain D residue 974 HIS Chi-restraints excluded: chain D residue 978 THR Chi-restraints excluded: chain D residue 1046 LEU Chi-restraints excluded: chain D residue 1076 ARG Chi-restraints excluded: chain D residue 1112 ASP Chi-restraints excluded: chain D residue 1113 VAL Chi-restraints excluded: chain D residue 1118 ASP Chi-restraints excluded: chain D residue 1120 LEU Chi-restraints excluded: chain D residue 1133 HIS Chi-restraints excluded: chain D residue 1148 VAL Chi-restraints excluded: chain D residue 1149 VAL Chi-restraints excluded: chain D residue 1152 MET Chi-restraints excluded: chain D residue 1153 ILE Chi-restraints excluded: chain D residue 1159 THR Chi-restraints excluded: chain D residue 1164 LEU Chi-restraints excluded: chain D residue 1179 PHE Chi-restraints excluded: chain D residue 1191 VAL Chi-restraints excluded: chain D residue 1193 SER Chi-restraints excluded: chain D residue 1198 GLN Chi-restraints excluded: chain D residue 1201 HIS 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 1214 PHE Chi-restraints excluded: chain D residue 1220 GLN Chi-restraints excluded: chain D residue 1230 MET Chi-restraints excluded: chain D residue 1234 VAL Chi-restraints excluded: chain D residue 1235 THR Chi-restraints excluded: chain D residue 1238 PHE Chi-restraints excluded: chain D residue 1240 LYS Chi-restraints excluded: chain D residue 1260 MET Chi-restraints excluded: chain D residue 1274 HIS Chi-restraints excluded: chain D residue 1574 PRO Chi-restraints excluded: chain D residue 1597 VAL Chi-restraints excluded: chain D residue 1600 LEU Chi-restraints excluded: chain D residue 1608 MET Chi-restraints excluded: chain D residue 1612 PHE Chi-restraints excluded: chain D residue 1630 CYS Chi-restraints excluded: chain D residue 1635 THR Chi-restraints excluded: chain D residue 1637 MET Chi-restraints excluded: chain D residue 1639 LEU Chi-restraints excluded: chain D residue 1647 CYS Chi-restraints excluded: chain D residue 1648 MET Chi-restraints excluded: chain D residue 1653 LEU Chi-restraints excluded: chain D residue 1655 GLU Chi-restraints excluded: chain D residue 1657 LEU Chi-restraints excluded: chain D residue 1664 SER Chi-restraints excluded: chain D residue 1666 THR Chi-restraints excluded: chain D residue 1681 VAL Chi-restraints excluded: chain D residue 1695 LEU Chi-restraints excluded: chain D residue 1700 ASP Chi-restraints excluded: chain D residue 1702 HIS Chi-restraints excluded: chain D residue 1703 LEU Chi-restraints excluded: chain D residue 1717 SER Chi-restraints excluded: chain D residue 1720 LEU Chi-restraints excluded: chain D residue 1721 GLU Chi-restraints excluded: chain D residue 1730 MET 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 1742 THR Chi-restraints excluded: chain D residue 1762 LEU Chi-restraints excluded: chain D residue 1765 VAL Chi-restraints excluded: chain D residue 1767 VAL Chi-restraints excluded: chain D residue 1769 THR Chi-restraints excluded: chain D residue 1778 SER Chi-restraints excluded: chain D residue 1781 CYS Chi-restraints excluded: chain D residue 1802 ILE Chi-restraints excluded: chain D residue 1808 ARG Chi-restraints excluded: chain D residue 1833 SER Chi-restraints excluded: chain D residue 1845 VAL Chi-restraints excluded: chain D residue 1847 THR Chi-restraints excluded: chain D residue 1853 ILE Chi-restraints excluded: chain D residue 1935 VAL Chi-restraints excluded: chain D residue 1948 ASP Chi-restraints excluded: chain D residue 1953 HIS Chi-restraints excluded: chain D residue 1955 VAL Chi-restraints excluded: chain D residue 1963 GLU Chi-restraints excluded: chain D residue 1969 LEU Chi-restraints excluded: chain D residue 1980 LEU Chi-restraints excluded: chain D residue 2006 ILE Chi-restraints excluded: chain D residue 2010 LEU Chi-restraints excluded: chain D residue 2011 HIS Chi-restraints excluded: chain D residue 2097 LEU Chi-restraints excluded: chain D residue 2099 SER Chi-restraints excluded: chain D residue 2122 SER Chi-restraints excluded: chain D residue 2128 TYR Chi-restraints excluded: chain D residue 2140 ARG Chi-restraints excluded: chain D residue 2148 SER Chi-restraints excluded: chain D residue 2152 THR Chi-restraints excluded: chain D residue 2164 SER 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 2172 PRO Chi-restraints excluded: chain D residue 2187 ASN Chi-restraints excluded: chain D residue 2191 PHE Chi-restraints excluded: chain D residue 2192 TYR Chi-restraints excluded: chain D residue 2194 HIS Chi-restraints excluded: chain D residue 2210 VAL Chi-restraints excluded: chain D residue 2215 LEU Chi-restraints excluded: chain D residue 2240 CYS Chi-restraints excluded: chain D residue 2246 ASN Chi-restraints excluded: chain D residue 2249 SER Chi-restraints excluded: chain D residue 2253 HIS Chi-restraints excluded: chain D residue 2281 ILE Chi-restraints excluded: chain D residue 2286 LEU Chi-restraints excluded: chain D residue 2291 GLN Chi-restraints excluded: chain D residue 2292 GLU Chi-restraints excluded: chain D residue 2299 VAL Chi-restraints excluded: chain D residue 2300 SER Chi-restraints excluded: chain D residue 2301 TYR Chi-restraints excluded: chain D residue 2319 PRO Chi-restraints excluded: chain D residue 2341 VAL Chi-restraints excluded: chain D residue 2364 PHE Chi-restraints excluded: chain D residue 2418 LEU Chi-restraints excluded: chain D residue 2420 HIS Chi-restraints excluded: chain D residue 2438 PRO Chi-restraints excluded: chain D residue 2442 LEU Chi-restraints excluded: chain D residue 2443 ILE Chi-restraints excluded: chain D residue 2451 LEU Chi-restraints excluded: chain D residue 2456 ILE Chi-restraints excluded: chain D residue 2457 LEU Chi-restraints excluded: chain D residue 2460 LEU Chi-restraints excluded: chain D residue 2736 ASP Chi-restraints excluded: chain D residue 2752 ASP Chi-restraints excluded: chain D residue 2762 THR Chi-restraints excluded: chain D residue 2779 GLU Chi-restraints excluded: chain D residue 2785 LEU Chi-restraints excluded: chain D residue 2790 MET Chi-restraints excluded: chain D residue 2807 TRP Chi-restraints excluded: chain D residue 2809 ILE Chi-restraints excluded: chain D residue 2811 GLU Chi-restraints excluded: chain D residue 2869 ARG Chi-restraints excluded: chain D residue 2872 GLN Chi-restraints excluded: chain D residue 2880 GLU Chi-restraints excluded: chain D residue 2882 TYR Chi-restraints excluded: chain D residue 2883 HIS Chi-restraints excluded: chain D residue 2892 GLN Chi-restraints excluded: chain D residue 2904 LEU Chi-restraints excluded: chain D residue 2937 VAL Chi-restraints excluded: chain D residue 3642 TYR Chi-restraints excluded: chain D residue 3647 HIS Chi-restraints excluded: chain D residue 3648 ARG Chi-restraints excluded: chain D residue 3658 LYS Chi-restraints excluded: chain D residue 3661 TRP Chi-restraints excluded: chain D residue 3663 LEU Chi-restraints excluded: chain D residue 3669 PHE Chi-restraints excluded: chain D residue 3674 ILE Chi-restraints excluded: chain D residue 3696 ASP Chi-restraints excluded: chain D residue 3708 THR Chi-restraints excluded: chain D residue 3712 GLU Chi-restraints excluded: chain D residue 3727 ASP Chi-restraints excluded: chain D residue 3728 ILE Chi-restraints excluded: chain D residue 3733 CYS Chi-restraints excluded: chain D residue 3765 TYR Chi-restraints excluded: chain D residue 3783 ILE Chi-restraints excluded: chain D residue 3790 THR Chi-restraints excluded: chain D residue 3795 SER Chi-restraints excluded: chain D residue 3803 SER Chi-restraints excluded: chain D residue 3804 ILE Chi-restraints excluded: chain D residue 3809 ASN Chi-restraints excluded: chain D residue 3822 ASP Chi-restraints excluded: chain D residue 3825 GLU Chi-restraints excluded: chain D residue 3830 GLN Chi-restraints excluded: chain D residue 3835 LEU Chi-restraints excluded: chain D residue 3836 MET Chi-restraints excluded: chain D residue 3838 THR Chi-restraints excluded: chain D residue 3886 ARG Chi-restraints excluded: chain D residue 3892 CYS Chi-restraints excluded: chain D residue 3899 PHE Chi-restraints excluded: chain D residue 3905 THR Chi-restraints excluded: chain D residue 3910 THR Chi-restraints excluded: chain D residue 3911 THR Chi-restraints excluded: chain D residue 3913 ILE Chi-restraints excluded: chain D residue 3930 ILE Chi-restraints excluded: chain D residue 3938 SER Chi-restraints excluded: chain D residue 3950 ASN Chi-restraints excluded: chain D residue 3964 SER Chi-restraints excluded: chain D residue 3966 THR Chi-restraints excluded: chain D residue 3974 THR Chi-restraints excluded: chain D residue 3979 SER Chi-restraints excluded: chain D residue 3995 VAL Chi-restraints excluded: chain D residue 4001 MET Chi-restraints excluded: chain D residue 4021 LYS Chi-restraints excluded: chain D residue 4040 ILE Chi-restraints excluded: chain D residue 4045 VAL Chi-restraints excluded: chain D residue 4054 ASN Chi-restraints excluded: chain D residue 4081 VAL 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 4097 MET Chi-restraints excluded: chain D residue 4098 ASP Chi-restraints excluded: chain D residue 4104 THR Chi-restraints excluded: chain D residue 4108 ILE Chi-restraints excluded: chain D residue 4113 SER Chi-restraints excluded: chain D residue 4115 SER Chi-restraints excluded: chain D residue 4118 ASP Chi-restraints excluded: chain D residue 4123 ILE Chi-restraints excluded: chain D residue 4125 PHE Chi-restraints excluded: chain D residue 4132 PHE Chi-restraints excluded: chain D residue 4142 ASN Chi-restraints excluded: chain D residue 4166 LEU Chi-restraints excluded: chain D residue 4168 GLU Chi-restraints excluded: chain D residue 4180 ARG Chi-restraints excluded: chain D residue 4182 GLU Chi-restraints excluded: chain D residue 4184 MET Chi-restraints excluded: chain D residue 4192 ARG Chi-restraints excluded: chain D residue 4197 ILE Chi-restraints excluded: chain D residue 4199 GLU Chi-restraints excluded: chain D residue 4205 TRP Chi-restraints excluded: chain D residue 4241 THR Chi-restraints excluded: chain D residue 4251 ILE Chi-restraints excluded: chain D residue 4553 ASN Chi-restraints excluded: chain D residue 4561 THR Chi-restraints excluded: chain D residue 4562 LEU Chi-restraints excluded: chain D residue 4573 ILE Chi-restraints excluded: chain D residue 4574 ASN Chi-restraints excluded: chain D residue 4628 VAL Chi-restraints excluded: chain D residue 4631 PHE Chi-restraints excluded: chain D residue 4634 GLU Chi-restraints excluded: chain D residue 4638 TYR Chi-restraints excluded: chain D residue 4647 SER Chi-restraints excluded: chain D residue 4648 LEU Chi-restraints excluded: chain D residue 4651 THR Chi-restraints excluded: chain D residue 4656 LEU Chi-restraints excluded: chain D residue 4676 GLU Chi-restraints excluded: chain D residue 4682 GLU Chi-restraints excluded: chain D residue 4688 ILE Chi-restraints excluded: chain D residue 4724 VAL Chi-restraints excluded: chain D residue 4730 ASP Chi-restraints excluded: chain D residue 4743 MET Chi-restraints excluded: chain D residue 4744 ASP Chi-restraints excluded: chain D residue 4765 LEU Chi-restraints excluded: chain D residue 4768 LEU Chi-restraints excluded: chain D residue 4771 ILE Chi-restraints excluded: chain D residue 4785 THR Chi-restraints excluded: chain D residue 4797 VAL Chi-restraints excluded: chain D residue 4803 HIS Chi-restraints excluded: chain D residue 4804 TYR Chi-restraints excluded: chain D residue 4818 MET Chi-restraints excluded: chain D residue 4822 THR Chi-restraints excluded: chain D residue 4828 SER Chi-restraints excluded: chain D residue 4840 THR Chi-restraints excluded: chain D residue 4852 THR Chi-restraints excluded: chain D residue 4858 PHE Chi-restraints excluded: chain D residue 4861 LYS Chi-restraints excluded: chain D residue 4869 GLU Chi-restraints excluded: chain D residue 4870 ASP Chi-restraints excluded: chain D residue 4873 ASP Chi-restraints excluded: chain D residue 4876 CYS Chi-restraints excluded: chain D residue 4881 THR Chi-restraints excluded: chain D residue 4887 MET Chi-restraints excluded: chain D residue 4891 VAL Chi-restraints excluded: chain D residue 4910 GLU Chi-restraints excluded: chain D residue 4915 VAL Chi-restraints excluded: chain D residue 4917 ASP Chi-restraints excluded: chain D residue 4919 THR Chi-restraints excluded: chain D residue 4925 ILE Chi-restraints excluded: chain D residue 4938 ASP Chi-restraints excluded: chain D residue 4947 GLN Chi-restraints excluded: chain D residue 4950 VAL Chi-restraints excluded: chain D residue 4952 GLU Chi-restraints excluded: chain D residue 4953 ASP Chi-restraints excluded: chain D residue 4961 CYS Chi-restraints excluded: chain D residue 4963 ILE Chi-restraints excluded: chain D residue 4965 SER Chi-restraints excluded: chain D residue 4970 THR Chi-restraints excluded: chain D residue 4977 THR Chi-restraints excluded: chain D residue 4979 THR Chi-restraints excluded: chain D residue 4983 HIS Chi-restraints excluded: chain D residue 4985 LEU Chi-restraints excluded: chain D residue 4997 ASN Chi-restraints excluded: chain D residue 5001 THR Chi-restraints excluded: chain D residue 5008 SER Chi-restraints excluded: chain D residue 5021 PHE Chi-restraints excluded: chain D residue 5034 ASP Chi-restraints excluded: chain D residue 5036 LEU Chi-restraints excluded: chain D residue 5037 SER Chi-restraints excluded: chain B residue 17 ASP Chi-restraints excluded: chain B residue 20 VAL Chi-restraints excluded: chain B residue 37 LEU Chi-restraints excluded: chain B residue 49 LEU Chi-restraints excluded: chain B residue 57 ASN Chi-restraints excluded: chain B residue 58 VAL Chi-restraints excluded: chain B residue 64 ILE Chi-restraints excluded: chain B residue 68 THR Chi-restraints excluded: chain B residue 71 GLN Chi-restraints excluded: chain B residue 74 SER Chi-restraints excluded: chain B residue 75 VAL Chi-restraints excluded: chain B residue 81 MET Chi-restraints excluded: chain B residue 111 HIS Chi-restraints excluded: chain B residue 114 SER Chi-restraints excluded: chain B residue 119 SER Chi-restraints excluded: chain B residue 124 SER Chi-restraints excluded: chain B residue 131 LEU Chi-restraints excluded: chain B residue 134 ASP Chi-restraints excluded: chain B residue 144 GLU Chi-restraints excluded: chain B residue 149 THR Chi-restraints excluded: chain B residue 154 SER Chi-restraints excluded: chain B residue 159 GLU Chi-restraints excluded: chain B residue 162 LYS Chi-restraints excluded: chain B residue 164 ARG Chi-restraints excluded: chain B residue 167 ASP Chi-restraints excluded: chain B residue 174 VAL Chi-restraints excluded: chain B residue 177 GLU Chi-restraints excluded: chain B residue 194 SER Chi-restraints excluded: chain B residue 206 CYS Chi-restraints excluded: chain B residue 211 GLU Chi-restraints excluded: chain B residue 219 VAL Chi-restraints excluded: chain B residue 222 LEU Chi-restraints excluded: chain B residue 229 GLU Chi-restraints excluded: chain B residue 232 THR Chi-restraints excluded: chain B residue 258 SER Chi-restraints excluded: chain B residue 262 LEU Chi-restraints excluded: chain B residue 283 ARG Chi-restraints excluded: chain B residue 285 VAL Chi-restraints excluded: chain B residue 286 THR Chi-restraints excluded: chain B residue 287 THR Chi-restraints excluded: chain B residue 299 LEU Chi-restraints excluded: chain B residue 300 VAL Chi-restraints excluded: chain B residue 303 ASP Chi-restraints excluded: chain B residue 312 THR Chi-restraints excluded: chain B residue 315 CYS Chi-restraints excluded: chain B residue 320 LYS Chi-restraints excluded: chain B residue 334 MET Chi-restraints excluded: chain B residue 345 LEU Chi-restraints excluded: chain B residue 358 THR Chi-restraints excluded: chain B residue 359 TYR Chi-restraints excluded: chain B residue 373 LYS Chi-restraints excluded: chain B residue 388 LEU Chi-restraints excluded: chain B residue 389 PHE Chi-restraints excluded: chain B residue 405 HIS Chi-restraints excluded: chain B residue 419 ASP Chi-restraints excluded: chain B residue 422 SER Chi-restraints excluded: chain B residue 424 LYS Chi-restraints excluded: chain B residue 436 LEU Chi-restraints excluded: chain B residue 444 SER Chi-restraints excluded: chain B residue 455 PRO Chi-restraints excluded: chain B residue 459 LEU Chi-restraints excluded: chain B residue 470 SER Chi-restraints excluded: chain B residue 472 ARG Chi-restraints excluded: chain B residue 477 LEU Chi-restraints excluded: chain B residue 478 PHE Chi-restraints excluded: chain B residue 483 MET Chi-restraints excluded: chain B residue 487 VAL Chi-restraints excluded: chain B residue 494 LEU Chi-restraints excluded: chain B residue 497 TYR Chi-restraints excluded: chain B residue 499 THR Chi-restraints excluded: chain B residue 503 PHE Chi-restraints excluded: chain B residue 510 GLU Chi-restraints excluded: chain B residue 513 GLU Chi-restraints excluded: chain B residue 514 SER Chi-restraints excluded: chain B residue 517 GLU Chi-restraints excluded: chain B residue 526 LEU Chi-restraints excluded: chain B residue 534 ARG Chi-restraints excluded: chain B residue 542 THR Chi-restraints excluded: chain B residue 545 ASP Chi-restraints excluded: chain B residue 549 SER Chi-restraints excluded: chain B residue 552 ASP Chi-restraints excluded: chain B residue 553 ARG Chi-restraints excluded: chain B residue 566 CYS Chi-restraints excluded: chain B residue 578 ILE Chi-restraints excluded: chain B residue 581 ASN Chi-restraints excluded: chain B residue 600 LEU Chi-restraints excluded: chain B residue 608 VAL Chi-restraints excluded: chain B residue 612 VAL Chi-restraints excluded: chain B residue 614 VAL Chi-restraints excluded: chain B residue 622 THR Chi-restraints excluded: chain B residue 626 LEU Chi-restraints excluded: chain B residue 634 GLN Chi-restraints excluded: chain B residue 637 LEU Chi-restraints excluded: chain B residue 641 VAL Chi-restraints excluded: chain B residue 643 SER Chi-restraints excluded: chain B residue 648 ILE Chi-restraints excluded: chain B residue 650 VAL Chi-restraints excluded: chain B residue 659 TYR Chi-restraints excluded: chain B residue 662 TRP Chi-restraints excluded: chain B residue 663 TYR Chi-restraints excluded: chain B residue 669 ASP Chi-restraints excluded: chain B residue 671 VAL Chi-restraints excluded: chain B residue 674 PHE Chi-restraints excluded: chain B residue 684 VAL Chi-restraints excluded: chain B residue 700 GLU Chi-restraints excluded: chain B residue 710 ASP Chi-restraints excluded: chain B residue 716 PHE 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 744 VAL Chi-restraints excluded: chain B residue 749 ASP Chi-restraints excluded: chain B residue 752 VAL Chi-restraints excluded: chain B residue 754 SER Chi-restraints excluded: chain B residue 759 ILE Chi-restraints excluded: chain B residue 780 VAL Chi-restraints excluded: chain B residue 781 VAL Chi-restraints excluded: chain B residue 787 VAL Chi-restraints excluded: chain B residue 791 PHE Chi-restraints excluded: chain B residue 800 PHE Chi-restraints excluded: chain B residue 803 LEU Chi-restraints excluded: chain B residue 812 HIS Chi-restraints excluded: chain B residue 831 ARG Chi-restraints excluded: chain B residue 840 VAL Chi-restraints excluded: chain B residue 850 ASP Chi-restraints excluded: chain B residue 859 VAL Chi-restraints excluded: chain B residue 867 LEU Chi-restraints excluded: chain B residue 868 GLU Chi-restraints excluded: chain B residue 870 ILE Chi-restraints excluded: chain B residue 907 LEU Chi-restraints excluded: chain B residue 944 GLU Chi-restraints excluded: chain B residue 961 MET Chi-restraints excluded: chain B residue 972 LEU Chi-restraints excluded: chain B residue 974 HIS Chi-restraints excluded: chain B residue 978 THR Chi-restraints excluded: chain B residue 1046 LEU Chi-restraints excluded: chain B residue 1112 ASP Chi-restraints excluded: chain B residue 1113 VAL Chi-restraints excluded: chain B residue 1118 ASP Chi-restraints excluded: chain B residue 1120 LEU Chi-restraints excluded: chain B residue 1127 HIS Chi-restraints excluded: chain B residue 1133 HIS Chi-restraints excluded: chain B residue 1148 VAL Chi-restraints excluded: chain B residue 1149 VAL Chi-restraints excluded: chain B residue 1152 MET Chi-restraints excluded: chain B residue 1153 ILE Chi-restraints excluded: chain B residue 1159 THR Chi-restraints excluded: chain B residue 1164 LEU Chi-restraints excluded: chain B residue 1179 PHE Chi-restraints excluded: chain B residue 1191 VAL Chi-restraints excluded: chain B residue 1193 SER Chi-restraints excluded: chain B residue 1198 GLN Chi-restraints excluded: chain B residue 1201 HIS 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 1214 PHE Chi-restraints excluded: chain B residue 1230 MET Chi-restraints excluded: chain B residue 1234 VAL Chi-restraints excluded: chain B residue 1235 THR Chi-restraints excluded: chain B residue 1238 PHE Chi-restraints excluded: chain B residue 1260 MET Chi-restraints excluded: chain B residue 1274 HIS Chi-restraints excluded: chain B residue 1574 PRO Chi-restraints excluded: chain B residue 1597 VAL Chi-restraints excluded: chain B residue 1600 LEU Chi-restraints excluded: chain B residue 1608 MET Chi-restraints excluded: chain B residue 1612 PHE Chi-restraints excluded: chain B residue 1630 CYS Chi-restraints excluded: chain B residue 1635 THR Chi-restraints excluded: chain B residue 1637 MET Chi-restraints excluded: chain B residue 1639 LEU Chi-restraints excluded: chain B residue 1647 CYS Chi-restraints excluded: chain B residue 1648 MET Chi-restraints excluded: chain B residue 1653 LEU Chi-restraints excluded: chain B residue 1655 GLU Chi-restraints excluded: chain B residue 1657 LEU Chi-restraints excluded: chain B residue 1664 SER Chi-restraints excluded: chain B residue 1666 THR Chi-restraints excluded: chain B residue 1681 VAL Chi-restraints excluded: chain B residue 1695 LEU Chi-restraints excluded: chain B residue 1700 ASP Chi-restraints excluded: chain B residue 1702 HIS Chi-restraints excluded: chain B residue 1703 LEU Chi-restraints excluded: chain B residue 1717 SER Chi-restraints excluded: chain B residue 1720 LEU Chi-restraints excluded: chain B residue 1721 GLU Chi-restraints excluded: chain B residue 1730 MET 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 1742 THR Chi-restraints excluded: chain B residue 1762 LEU Chi-restraints excluded: chain B residue 1765 VAL Chi-restraints excluded: chain B residue 1767 VAL Chi-restraints excluded: chain B residue 1769 THR Chi-restraints excluded: chain B residue 1776 HIS Chi-restraints excluded: chain B residue 1786 LEU Chi-restraints excluded: chain B residue 1798 LEU Chi-restraints excluded: chain B residue 1802 ILE Chi-restraints excluded: chain B residue 1833 SER Chi-restraints excluded: chain B residue 1845 VAL Chi-restraints excluded: chain B residue 1847 THR Chi-restraints excluded: chain B residue 1935 VAL Chi-restraints excluded: chain B residue 1948 ASP Chi-restraints excluded: chain B residue 1953 HIS Chi-restraints excluded: chain B residue 1955 VAL Chi-restraints excluded: chain B residue 1958 LEU Chi-restraints excluded: chain B residue 1963 GLU Chi-restraints excluded: chain B residue 1969 LEU Chi-restraints excluded: chain B residue 1980 LEU Chi-restraints excluded: chain B residue 2006 ILE Chi-restraints excluded: chain B residue 2010 LEU Chi-restraints excluded: chain B residue 2011 HIS Chi-restraints excluded: chain B residue 2041 HIS Chi-restraints excluded: chain B residue 2097 LEU Chi-restraints excluded: chain B residue 2099 SER Chi-restraints excluded: chain B residue 2122 SER Chi-restraints excluded: chain B residue 2140 ARG Chi-restraints excluded: chain B residue 2148 SER Chi-restraints excluded: chain B residue 2152 THR Chi-restraints excluded: chain B residue 2164 SER 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 2172 PRO Chi-restraints excluded: chain B residue 2187 ASN Chi-restraints excluded: chain B residue 2191 PHE Chi-restraints excluded: chain B residue 2192 TYR Chi-restraints excluded: chain B residue 2194 HIS Chi-restraints excluded: chain B residue 2210 VAL Chi-restraints excluded: chain B residue 2215 LEU Chi-restraints excluded: chain B residue 2240 CYS Chi-restraints excluded: chain B residue 2246 ASN Chi-restraints excluded: chain B residue 2249 SER Chi-restraints excluded: chain B residue 2253 HIS Chi-restraints excluded: chain B residue 2281 ILE Chi-restraints excluded: chain B residue 2286 LEU Chi-restraints excluded: chain B residue 2291 GLN Chi-restraints excluded: chain B residue 2292 GLU Chi-restraints excluded: chain B residue 2299 VAL Chi-restraints excluded: chain B residue 2300 SER Chi-restraints excluded: chain B residue 2301 TYR Chi-restraints excluded: chain B residue 2319 PRO Chi-restraints excluded: chain B residue 2341 VAL Chi-restraints excluded: chain B residue 2364 PHE Chi-restraints excluded: chain B residue 2418 LEU Chi-restraints excluded: chain B residue 2420 HIS Chi-restraints excluded: chain B residue 2438 PRO Chi-restraints excluded: chain B residue 2442 LEU Chi-restraints excluded: chain B residue 2443 ILE Chi-restraints excluded: chain B residue 2451 LEU Chi-restraints excluded: chain B residue 2456 ILE Chi-restraints excluded: chain B residue 2457 LEU Chi-restraints excluded: chain B residue 2460 LEU Chi-restraints excluded: chain B residue 2736 ASP Chi-restraints excluded: chain B residue 2752 ASP Chi-restraints excluded: chain B residue 2762 THR Chi-restraints excluded: chain B residue 2779 GLU Chi-restraints excluded: chain B residue 2785 LEU Chi-restraints excluded: chain B residue 2790 MET Chi-restraints excluded: chain B residue 2807 TRP Chi-restraints excluded: chain B residue 2809 ILE Chi-restraints excluded: chain B residue 2811 GLU Chi-restraints excluded: chain B residue 2872 GLN Chi-restraints excluded: chain B residue 2884 ASN Chi-restraints excluded: chain B residue 2892 GLN Chi-restraints excluded: chain B residue 2904 LEU Chi-restraints excluded: chain B residue 2937 VAL Chi-restraints excluded: chain B residue 3642 TYR Chi-restraints excluded: chain B residue 3647 HIS Chi-restraints excluded: chain B residue 3648 ARG Chi-restraints excluded: chain B residue 3658 LYS Chi-restraints excluded: chain B residue 3661 TRP Chi-restraints excluded: chain B residue 3663 LEU Chi-restraints excluded: chain B residue 3669 PHE Chi-restraints excluded: chain B residue 3673 MET Chi-restraints excluded: chain B residue 3674 ILE Chi-restraints excluded: chain B residue 3678 SER Chi-restraints excluded: chain B residue 3696 ASP Chi-restraints excluded: chain B residue 3708 THR Chi-restraints excluded: chain B residue 3712 GLU Chi-restraints excluded: chain B residue 3727 ASP Chi-restraints excluded: chain B residue 3728 ILE Chi-restraints excluded: chain B residue 3733 CYS Chi-restraints excluded: chain B residue 3765 TYR Chi-restraints excluded: chain B residue 3790 THR Chi-restraints excluded: chain B residue 3795 SER Chi-restraints excluded: chain B residue 3803 SER Chi-restraints excluded: chain B residue 3804 ILE Chi-restraints excluded: chain B residue 3805 LEU Chi-restraints excluded: chain B residue 3809 ASN Chi-restraints excluded: chain B residue 3822 ASP Chi-restraints excluded: chain B residue 3825 GLU Chi-restraints excluded: chain B residue 3830 GLN Chi-restraints excluded: chain B residue 3835 LEU Chi-restraints excluded: chain B residue 3836 MET Chi-restraints excluded: chain B residue 3838 THR Chi-restraints excluded: chain B residue 3886 ARG Chi-restraints excluded: chain B residue 3892 CYS Chi-restraints excluded: chain B residue 3899 PHE Chi-restraints excluded: chain B residue 3905 THR Chi-restraints excluded: chain B residue 3910 THR Chi-restraints excluded: chain B residue 3911 THR Chi-restraints excluded: chain B residue 3913 ILE Chi-restraints excluded: chain B residue 3930 ILE Chi-restraints excluded: chain B residue 3938 SER Chi-restraints excluded: chain B residue 3950 ASN Chi-restraints excluded: chain B residue 3952 SER Chi-restraints excluded: chain B residue 3964 SER Chi-restraints excluded: chain B residue 3966 THR Chi-restraints excluded: chain B residue 3974 THR Chi-restraints excluded: chain B residue 3979 SER Chi-restraints excluded: chain B residue 3995 VAL Chi-restraints excluded: chain B residue 4001 MET Chi-restraints excluded: chain B residue 4021 LYS Chi-restraints excluded: chain B residue 4040 ILE Chi-restraints excluded: chain B residue 4054 ASN Chi-restraints excluded: chain B residue 4066 LEU Chi-restraints excluded: chain B residue 4081 VAL Chi-restraints excluded: chain B residue 4082 THR Chi-restraints excluded: chain B residue 4083 ASP Chi-restraints excluded: chain B residue 4088 ILE Chi-restraints excluded: chain B residue 4097 MET Chi-restraints excluded: chain B residue 4098 ASP Chi-restraints excluded: chain B residue 4104 THR Chi-restraints excluded: chain B residue 4108 ILE Chi-restraints excluded: chain B residue 4113 SER Chi-restraints excluded: chain B residue 4115 SER Chi-restraints excluded: chain B residue 4118 ASP Chi-restraints excluded: chain B residue 4123 ILE Chi-restraints excluded: chain B residue 4125 PHE Chi-restraints excluded: chain B residue 4132 PHE Chi-restraints excluded: chain B residue 4142 ASN Chi-restraints excluded: chain B residue 4166 LEU Chi-restraints excluded: chain B residue 4168 GLU Chi-restraints excluded: chain B residue 4180 ARG Chi-restraints excluded: chain B residue 4192 ARG Chi-restraints excluded: chain B residue 4197 ILE Chi-restraints excluded: chain B residue 4199 GLU Chi-restraints excluded: chain B residue 4205 TRP Chi-restraints excluded: chain B residue 4218 ILE Chi-restraints excluded: chain B residue 4241 THR Chi-restraints excluded: chain B residue 4251 ILE Chi-restraints excluded: chain B residue 4553 ASN Chi-restraints excluded: chain B residue 4556 SER Chi-restraints excluded: chain B residue 4561 THR Chi-restraints excluded: chain B residue 4562 LEU Chi-restraints excluded: chain B residue 4573 ILE Chi-restraints excluded: chain B residue 4574 ASN Chi-restraints excluded: chain B residue 4628 VAL Chi-restraints excluded: chain B residue 4631 PHE Chi-restraints excluded: chain B residue 4634 GLU Chi-restraints excluded: chain B residue 4638 TYR Chi-restraints excluded: chain B residue 4647 SER Chi-restraints excluded: chain B residue 4648 LEU Chi-restraints excluded: chain B residue 4651 THR Chi-restraints excluded: chain B residue 4656 LEU Chi-restraints excluded: chain B residue 4676 GLU Chi-restraints excluded: chain B residue 4688 ILE Chi-restraints excluded: chain B residue 4724 VAL Chi-restraints excluded: chain B residue 4728 HIS Chi-restraints excluded: chain B residue 4730 ASP Chi-restraints excluded: chain B residue 4743 MET Chi-restraints excluded: chain B residue 4744 ASP Chi-restraints excluded: chain B residue 4765 LEU Chi-restraints excluded: chain B residue 4768 LEU Chi-restraints excluded: chain B residue 4771 ILE Chi-restraints excluded: chain B residue 4785 THR Chi-restraints excluded: chain B residue 4803 HIS Chi-restraints excluded: chain B residue 4804 TYR Chi-restraints excluded: chain B residue 4818 MET Chi-restraints excluded: chain B residue 4822 THR Chi-restraints excluded: chain B residue 4828 SER Chi-restraints excluded: chain B residue 4840 THR Chi-restraints excluded: chain B residue 4852 THR Chi-restraints excluded: chain B residue 4858 PHE Chi-restraints excluded: chain B residue 4869 GLU Chi-restraints excluded: chain B residue 4870 ASP Chi-restraints excluded: chain B residue 4873 ASP Chi-restraints excluded: chain B residue 4876 CYS Chi-restraints excluded: chain B residue 4879 MET Chi-restraints excluded: chain B residue 4887 MET Chi-restraints excluded: chain B residue 4891 VAL Chi-restraints excluded: chain B residue 4910 GLU Chi-restraints excluded: chain B residue 4915 VAL Chi-restraints excluded: chain B residue 4916 PHE Chi-restraints excluded: chain B residue 4917 ASP Chi-restraints excluded: chain B residue 4919 THR Chi-restraints excluded: chain B residue 4925 ILE Chi-restraints excluded: chain B residue 4928 LEU Chi-restraints excluded: chain B residue 4947 GLN Chi-restraints excluded: chain B residue 4950 VAL Chi-restraints excluded: chain B residue 4952 GLU Chi-restraints excluded: chain B residue 4953 ASP Chi-restraints excluded: chain B residue 4956 THR Chi-restraints excluded: chain B residue 4961 CYS Chi-restraints excluded: chain B residue 4963 ILE Chi-restraints excluded: chain B residue 4965 SER Chi-restraints excluded: chain B residue 4970 THR Chi-restraints excluded: chain B residue 4977 THR Chi-restraints excluded: chain B residue 4979 THR Chi-restraints excluded: chain B residue 4980 LEU Chi-restraints excluded: chain B residue 4985 LEU Chi-restraints excluded: chain B residue 4997 ASN Chi-restraints excluded: chain B residue 5001 THR Chi-restraints excluded: chain B residue 5008 SER Chi-restraints excluded: chain B residue 5018 CYS Chi-restraints excluded: chain B residue 5021 PHE Chi-restraints excluded: chain B residue 5034 ASP Chi-restraints excluded: chain B residue 5036 LEU Chi-restraints excluded: chain B residue 5037 SER 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 218 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 536 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 617 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 624 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 647 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 720 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 735 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 736 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A 797 HIS ** A 904 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 921 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 963 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A1645 ASN A1702 HIS ** A1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2112 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A2176 ASN A2184 ASN ** A2194 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A2260 ASN ** A2441 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2772 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2883 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3830 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3998 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4162 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4553 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4714 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 218 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 520 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 536 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 617 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 624 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 647 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 735 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 736 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C 797 HIS ** C 921 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 963 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C1645 ASN C1702 HIS C1952 GLN ** C2112 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C2176 ASN C2184 ASN ** C2194 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C2260 ASN ** C3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3830 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3998 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4133 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4162 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4553 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4714 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4803 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 218 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 379 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 520 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 536 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D 647 ASN ** D 658 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 735 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 736 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D 797 HIS ** D 921 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 963 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D1220 GLN D1645 ASN D1702 HIS ** D1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D2035 HIS ** D2112 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D2176 ASN D2184 ASN ** D2194 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D2260 ASN ** D2772 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3781 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3998 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4553 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4714 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4803 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 218 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 520 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 536 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 624 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 647 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 720 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 735 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 736 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B 797 HIS ** B 904 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 921 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 963 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B1645 ASN B1702 HIS ** B1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2112 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B2176 ASN B2184 ASN ** B2194 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B2260 ASN ** B2441 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2772 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3767 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3830 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3998 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4133 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4162 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4553 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4714 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4803 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 28 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8422 moved from start: 0.7969 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.055 0.432 119505 Z= 3.539 Angle : 3.083 36.941 162917 Z= 1.564 Chirality : 0.152 0.773 19033 Planarity : 0.020 0.298 21423 Dihedral : 13.826 126.577 17817 Min Nonbonded Distance : 1.075 Molprobity Statistics. All-atom Clashscore : 86.91 Ramachandran Plot: Outliers : 2.55 % Allowed : 33.80 % Favored : 63.66 % Rotamer: Outliers : 25.22 % Allowed : 24.04 % Favored : 50.74 % Cbeta Deviations : 0.49 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 5.59 % Twisted General : 3.20 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -7.01 (0.05), residues: 12808 helix: -4.55 (0.04), residues: 5484 sheet: -3.54 (0.13), residues: 1184 loop : -5.07 (0.06), residues: 6140 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.098 0.012 TRP D5011 HIS 0.042 0.007 HIS B4983 PHE 0.098 0.012 PHE B1238 TYR 0.107 0.011 TYR C 359 ARG 0.042 0.003 ARG D3773 *********************** REFINEMENT MACRO_CYCLE 4 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 25616 Ramachandran restraints generated. 12808 Oldfield, 0 Emsley, 12808 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 25616 Ramachandran restraints generated. 12808 Oldfield, 0 Emsley, 12808 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3087 residues out of total 11248 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2533 poor density : 554 time to evaluate : 9.036 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 69 LEU cc_start: 0.8979 (OUTLIER) cc_final: 0.8763 (pt) REVERT: A 159 GLU cc_start: 0.8869 (OUTLIER) cc_final: 0.8539 (tm-30) REVERT: A 164 ARG cc_start: 0.8988 (OUTLIER) cc_final: 0.7311 (mpp-170) REVERT: A 229 GLU cc_start: 0.7276 (OUTLIER) cc_final: 0.6940 (tt0) REVERT: A 276 TRP cc_start: 0.7233 (OUTLIER) cc_final: 0.6746 (m100) REVERT: A 283 ARG cc_start: 0.8056 (OUTLIER) cc_final: 0.7231 (ttm170) REVERT: A 405 HIS cc_start: 0.9011 (OUTLIER) cc_final: 0.8809 (t-90) REVERT: A 419 ASP cc_start: 0.8661 (OUTLIER) cc_final: 0.8240 (m-30) REVERT: A 552 ASP cc_start: 0.8492 (OUTLIER) cc_final: 0.8046 (t0) REVERT: A 553 ARG cc_start: 0.8530 (tmt-80) cc_final: 0.8041 (tmt-80) REVERT: A 581 ASN cc_start: 0.7965 (OUTLIER) cc_final: 0.7675 (p0) REVERT: A 659 TYR cc_start: 0.5479 (OUTLIER) cc_final: 0.4699 (m-80) REVERT: A 662 TRP cc_start: 0.7454 (OUTLIER) cc_final: 0.6828 (m-10) REVERT: A 663 TYR cc_start: 0.6527 (OUTLIER) cc_final: 0.5877 (t80) REVERT: A 700 GLU cc_start: 0.7738 (OUTLIER) cc_final: 0.7465 (mp0) REVERT: A 831 ARG cc_start: 0.8847 (OUTLIER) cc_final: 0.8515 (ptp-170) REVERT: A 869 ARG cc_start: 0.6299 (OUTLIER) cc_final: 0.5116 (ptt90) REVERT: A 870 ILE cc_start: 0.6627 (OUTLIER) cc_final: 0.5692 (mm) REVERT: A 944 GLU cc_start: 0.2221 (OUTLIER) cc_final: 0.1768 (tt0) REVERT: A 1044 ARG cc_start: 0.3952 (OUTLIER) cc_final: 0.3283 (tpp80) REVERT: A 1114 GLU cc_start: 0.8713 (OUTLIER) cc_final: 0.8381 (mm-30) REVERT: A 1120 LEU cc_start: 0.9404 (OUTLIER) cc_final: 0.9122 (mm) REVERT: A 1133 HIS cc_start: 0.9396 (OUTLIER) cc_final: 0.8854 (t-170) REVERT: A 1141 ARG cc_start: 0.8845 (OUTLIER) cc_final: 0.8180 (ptm160) REVERT: A 1152 MET cc_start: 0.8701 (OUTLIER) cc_final: 0.8450 (mtm) REVERT: A 1176 GLU cc_start: 0.5977 (OUTLIER) cc_final: 0.5755 (pm20) REVERT: A 1202 LEU cc_start: 0.9344 (OUTLIER) cc_final: 0.8866 (tp) REVERT: A 1204 LEU cc_start: 0.9207 (OUTLIER) cc_final: 0.8945 (mm) REVERT: A 1240 LYS cc_start: 0.9174 (OUTLIER) cc_final: 0.8959 (mtpt) REVERT: A 1242 LEU cc_start: 0.9285 (OUTLIER) cc_final: 0.8991 (mp) REVERT: A 1255 TYR cc_start: 0.8832 (OUTLIER) cc_final: 0.7472 (m-80) REVERT: A 1645 ASN cc_start: 0.9389 (OUTLIER) cc_final: 0.9179 (t0) REVERT: A 1652 GLU cc_start: 0.9450 (OUTLIER) cc_final: 0.8547 (tm-30) REVERT: A 1653 LEU cc_start: 0.9538 (OUTLIER) cc_final: 0.8802 (mp) REVERT: A 1655 GLU cc_start: 0.8598 (OUTLIER) cc_final: 0.7713 (tm-30) REVERT: A 1656 ARG cc_start: 0.9316 (OUTLIER) cc_final: 0.8485 (mmt180) REVERT: A 1703 LEU cc_start: 0.9532 (OUTLIER) cc_final: 0.9250 (mt) REVERT: A 1714 LEU cc_start: 0.9436 (OUTLIER) cc_final: 0.8960 (mp) REVERT: A 1743 ARG cc_start: 0.8646 (OUTLIER) cc_final: 0.8069 (ttm110) REVERT: A 1939 MET cc_start: 0.9081 (mmm) cc_final: 0.8803 (tpp) REVERT: A 2126 ARG cc_start: 0.9449 (OUTLIER) cc_final: 0.9229 (mtp85) REVERT: A 2191 PHE cc_start: 0.9193 (OUTLIER) cc_final: 0.8277 (t80) REVERT: A 2245 GLN cc_start: 0.9514 (OUTLIER) cc_final: 0.8848 (mm-40) REVERT: A 2364 PHE cc_start: 0.7556 (OUTLIER) cc_final: 0.6684 (m-80) REVERT: A 2420 HIS cc_start: 0.8242 (OUTLIER) cc_final: 0.7931 (t70) REVERT: A 2458 ARG cc_start: 0.7801 (OUTLIER) cc_final: 0.7501 (tpt90) REVERT: A 2777 TYR cc_start: -0.1822 (OUTLIER) cc_final: -0.2163 (m-80) REVERT: A 2779 GLU cc_start: 0.2158 (OUTLIER) cc_final: 0.0638 (mt-10) REVERT: A 2811 GLU cc_start: 0.5296 (OUTLIER) cc_final: 0.4378 (tm-30) REVERT: A 2928 LYS cc_start: 0.2132 (OUTLIER) cc_final: 0.1929 (mtpt) REVERT: A 2939 ARG cc_start: 0.4787 (OUTLIER) cc_final: 0.4560 (mtt-85) REVERT: A 3642 TYR cc_start: 0.7672 (OUTLIER) cc_final: 0.7038 (p90) REVERT: A 3647 HIS cc_start: 0.8138 (OUTLIER) cc_final: 0.7295 (p90) REVERT: A 3648 ARG cc_start: 0.8542 (OUTLIER) cc_final: 0.8003 (ttm110) REVERT: A 3658 LYS cc_start: 0.5396 (OUTLIER) cc_final: 0.4528 (tppt) REVERT: A 3663 LEU cc_start: 0.9431 (OUTLIER) cc_final: 0.9223 (mm) REVERT: A 3710 LEU cc_start: 0.9361 (OUTLIER) cc_final: 0.9120 (tt) REVERT: A 3753 PHE cc_start: 0.7992 (OUTLIER) cc_final: 0.7627 (t80) REVERT: A 3805 LEU cc_start: 0.9631 (OUTLIER) cc_final: 0.9320 (pp) REVERT: A 3835 LEU cc_start: 0.9503 (OUTLIER) cc_final: 0.9206 (tt) REVERT: A 3886 ARG cc_start: 0.9385 (OUTLIER) cc_final: 0.8461 (tpt90) REVERT: A 4054 ASN cc_start: 0.9064 (OUTLIER) cc_final: 0.8490 (m-40) REVERT: A 4066 LEU cc_start: 0.9479 (OUTLIER) cc_final: 0.9195 (mp) REVERT: A 4071 ILE cc_start: 0.9247 (OUTLIER) cc_final: 0.9018 (tt) REVERT: A 4108 ILE cc_start: 0.9195 (OUTLIER) cc_final: 0.8946 (mm) REVERT: A 4125 PHE cc_start: 0.9163 (OUTLIER) cc_final: 0.8914 (p90) REVERT: A 4132 PHE cc_start: 0.8638 (OUTLIER) cc_final: 0.8159 (m-10) REVERT: A 4142 ASN cc_start: 0.9558 (OUTLIER) cc_final: 0.9018 (t0) REVERT: A 4205 TRP cc_start: 0.9611 (OUTLIER) cc_final: 0.9392 (t-100) REVERT: A 4562 LEU cc_start: 0.9189 (OUTLIER) cc_final: 0.8933 (tt) REVERT: A 4580 TYR cc_start: 0.9367 (OUTLIER) cc_final: 0.6701 (t80) REVERT: A 4736 ARG cc_start: 0.9136 (OUTLIER) cc_final: 0.8464 (mtp85) REVERT: A 4803 HIS cc_start: 0.8612 (OUTLIER) cc_final: 0.8335 (m90) REVERT: A 4839 MET cc_start: 0.8858 (mmm) cc_final: 0.8620 (mmm) REVERT: A 4953 ASP cc_start: 0.8987 (OUTLIER) cc_final: 0.8727 (t0) REVERT: A 5020 ASP cc_start: 0.9414 (OUTLIER) cc_final: 0.9174 (m-30) REVERT: C 69 LEU cc_start: 0.8968 (OUTLIER) cc_final: 0.8750 (pt) REVERT: C 164 ARG cc_start: 0.8984 (OUTLIER) cc_final: 0.7325 (mpp-170) REVERT: C 229 GLU cc_start: 0.7207 (OUTLIER) cc_final: 0.6843 (tt0) REVERT: C 260 TRP cc_start: 0.8912 (OUTLIER) cc_final: 0.7540 (m100) REVERT: C 276 TRP cc_start: 0.7224 (OUTLIER) cc_final: 0.6739 (m100) REVERT: C 386 ASP cc_start: 0.6654 (OUTLIER) cc_final: 0.5734 (t0) REVERT: C 419 ASP cc_start: 0.8648 (OUTLIER) cc_final: 0.8232 (m-30) REVERT: C 581 ASN cc_start: 0.7945 (OUTLIER) cc_final: 0.7679 (p0) REVERT: C 659 TYR cc_start: 0.5475 (OUTLIER) cc_final: 0.4704 (m-80) REVERT: C 662 TRP cc_start: 0.7470 (OUTLIER) cc_final: 0.6888 (m-10) REVERT: C 663 TYR cc_start: 0.6562 (OUTLIER) cc_final: 0.5913 (t80) REVERT: C 700 GLU cc_start: 0.7730 (OUTLIER) cc_final: 0.7474 (mp0) REVERT: C 831 ARG cc_start: 0.8803 (OUTLIER) cc_final: 0.8557 (ptp-170) REVERT: C 869 ARG cc_start: 0.6294 (OUTLIER) cc_final: 0.5111 (ptt90) REVERT: C 870 ILE cc_start: 0.6637 (OUTLIER) cc_final: 0.5703 (mm) REVERT: C 944 GLU cc_start: 0.2059 (OUTLIER) cc_final: 0.1596 (tt0) REVERT: C 1044 ARG cc_start: 0.3849 (OUTLIER) cc_final: 0.3119 (tpp80) REVERT: C 1114 GLU cc_start: 0.8723 (OUTLIER) cc_final: 0.8394 (mm-30) REVERT: C 1120 LEU cc_start: 0.9394 (OUTLIER) cc_final: 0.9123 (mm) REVERT: C 1133 HIS cc_start: 0.9420 (OUTLIER) cc_final: 0.8894 (t-170) REVERT: C 1141 ARG cc_start: 0.8822 (OUTLIER) cc_final: 0.8160 (ptm160) REVERT: C 1152 MET cc_start: 0.8677 (OUTLIER) cc_final: 0.8431 (mtm) REVERT: C 1176 GLU cc_start: 0.5979 (OUTLIER) cc_final: 0.5760 (pm20) REVERT: C 1202 LEU cc_start: 0.9347 (OUTLIER) cc_final: 0.8874 (tp) REVERT: C 1204 LEU cc_start: 0.9195 (OUTLIER) cc_final: 0.8944 (mm) REVERT: C 1240 LYS cc_start: 0.9172 (OUTLIER) cc_final: 0.8954 (mtpt) REVERT: C 1242 LEU cc_start: 0.9293 (OUTLIER) cc_final: 0.8998 (mp) REVERT: C 1255 TYR cc_start: 0.8835 (OUTLIER) cc_final: 0.7471 (m-80) REVERT: C 1630 CYS cc_start: 0.8358 (OUTLIER) cc_final: 0.7962 (p) REVERT: C 1645 ASN cc_start: 0.9395 (OUTLIER) cc_final: 0.9193 (t0) REVERT: C 1652 GLU cc_start: 0.9451 (OUTLIER) cc_final: 0.8567 (tm-30) REVERT: C 1653 LEU cc_start: 0.9531 (OUTLIER) cc_final: 0.8818 (mp) REVERT: C 1655 GLU cc_start: 0.8589 (OUTLIER) cc_final: 0.7737 (tm-30) REVERT: C 1656 ARG cc_start: 0.9319 (OUTLIER) cc_final: 0.8501 (mmt180) REVERT: C 1703 LEU cc_start: 0.9546 (OUTLIER) cc_final: 0.9292 (mt) REVERT: C 1743 ARG cc_start: 0.8658 (OUTLIER) cc_final: 0.8115 (ttm110) REVERT: C 1937 LEU cc_start: 0.9362 (OUTLIER) cc_final: 0.9154 (tp) REVERT: C 1939 MET cc_start: 0.9089 (mmm) cc_final: 0.8814 (tpp) REVERT: C 2126 ARG cc_start: 0.9517 (OUTLIER) cc_final: 0.9247 (mtp85) REVERT: C 2191 PHE cc_start: 0.9167 (OUTLIER) cc_final: 0.8358 (t80) REVERT: C 2245 GLN cc_start: 0.9513 (OUTLIER) cc_final: 0.8847 (mm-40) REVERT: C 2364 PHE cc_start: 0.7563 (OUTLIER) cc_final: 0.6690 (m-80) REVERT: C 2420 HIS cc_start: 0.8249 (OUTLIER) cc_final: 0.7933 (t70) REVERT: C 2458 ARG cc_start: 0.7790 (OUTLIER) cc_final: 0.7501 (tpt90) REVERT: C 2777 TYR cc_start: -0.1815 (OUTLIER) cc_final: -0.2160 (m-80) REVERT: C 2779 GLU cc_start: 0.2076 (OUTLIER) cc_final: 0.0598 (mt-10) REVERT: C 2811 GLU cc_start: 0.5145 (OUTLIER) cc_final: 0.4297 (tm-30) REVERT: C 2874 MET cc_start: 0.4677 (mpp) cc_final: 0.4427 (mpp) REVERT: C 2928 LYS cc_start: 0.2193 (OUTLIER) cc_final: 0.1987 (mtpt) REVERT: C 2932 MET cc_start: 0.5054 (mpp) cc_final: 0.4800 (mpp) REVERT: C 3642 TYR cc_start: 0.7674 (OUTLIER) cc_final: 0.7032 (p90) REVERT: C 3647 HIS cc_start: 0.8103 (OUTLIER) cc_final: 0.7244 (p90) REVERT: C 3648 ARG cc_start: 0.8548 (OUTLIER) cc_final: 0.7992 (ttm110) REVERT: C 3658 LYS cc_start: 0.5331 (OUTLIER) cc_final: 0.4536 (tppt) REVERT: C 3712 GLU cc_start: 0.8919 (OUTLIER) cc_final: 0.8600 (pm20) REVERT: C 3753 PHE cc_start: 0.7964 (OUTLIER) cc_final: 0.7612 (t80) REVERT: C 3805 LEU cc_start: 0.9595 (OUTLIER) cc_final: 0.9264 (pp) REVERT: C 3835 LEU cc_start: 0.9498 (OUTLIER) cc_final: 0.9200 (tt) REVERT: C 3886 ARG cc_start: 0.9267 (OUTLIER) cc_final: 0.8261 (tpt90) REVERT: C 3980 LEU cc_start: 0.9724 (OUTLIER) cc_final: 0.9516 (tt) REVERT: C 4054 ASN cc_start: 0.9029 (OUTLIER) cc_final: 0.8396 (m-40) REVERT: C 4066 LEU cc_start: 0.9461 (OUTLIER) cc_final: 0.9181 (mp) REVERT: C 4071 ILE cc_start: 0.9234 (OUTLIER) cc_final: 0.9007 (tt) REVERT: C 4097 MET cc_start: 0.8982 (OUTLIER) cc_final: 0.8486 (mpp) REVERT: C 4108 ILE cc_start: 0.9256 (OUTLIER) cc_final: 0.9028 (mm) REVERT: C 4125 PHE cc_start: 0.9129 (OUTLIER) cc_final: 0.8893 (p90) REVERT: C 4132 PHE cc_start: 0.8662 (OUTLIER) cc_final: 0.8197 (m-10) REVERT: C 4142 ASN cc_start: 0.9552 (OUTLIER) cc_final: 0.8961 (t0) REVERT: C 4205 TRP cc_start: 0.9616 (OUTLIER) cc_final: 0.9343 (t-100) REVERT: C 4562 LEU cc_start: 0.9185 (OUTLIER) cc_final: 0.8928 (tt) REVERT: C 4580 TYR cc_start: 0.9343 (OUTLIER) cc_final: 0.6604 (t80) REVERT: C 4634 GLU cc_start: 0.4857 (OUTLIER) cc_final: 0.4629 (mm-30) REVERT: C 4638 TYR cc_start: -0.1100 (OUTLIER) cc_final: -0.1762 (p90) REVERT: C 4736 ARG cc_start: 0.9151 (OUTLIER) cc_final: 0.8477 (mtp85) REVERT: C 4884 LEU cc_start: 0.8914 (OUTLIER) cc_final: 0.8710 (tt) REVERT: C 4892 ARG cc_start: 0.9240 (OUTLIER) cc_final: 0.7381 (ttp80) REVERT: C 4913 ARG cc_start: 0.8947 (OUTLIER) cc_final: 0.8047 (tpt90) REVERT: C 4953 ASP cc_start: 0.8995 (OUTLIER) cc_final: 0.8714 (t0) REVERT: C 5020 ASP cc_start: 0.9406 (OUTLIER) cc_final: 0.9163 (m-30) REVERT: D 69 LEU cc_start: 0.8974 (OUTLIER) cc_final: 0.8764 (pt) REVERT: D 159 GLU cc_start: 0.8846 (OUTLIER) cc_final: 0.8540 (tm-30) REVERT: D 162 LYS cc_start: 0.8754 (OUTLIER) cc_final: 0.8481 (mtmt) REVERT: D 164 ARG cc_start: 0.9024 (OUTLIER) cc_final: 0.7406 (mpp-170) REVERT: D 177 GLU cc_start: 0.9303 (OUTLIER) cc_final: 0.8891 (mp0) REVERT: D 210 GLU cc_start: 0.8200 (OUTLIER) cc_final: 0.7823 (pm20) REVERT: D 229 GLU cc_start: 0.7259 (OUTLIER) cc_final: 0.6878 (tt0) REVERT: D 276 TRP cc_start: 0.7248 (OUTLIER) cc_final: 0.6770 (m100) REVERT: D 359 TYR cc_start: 0.8378 (OUTLIER) cc_final: 0.7641 (p90) REVERT: D 419 ASP cc_start: 0.8660 (OUTLIER) cc_final: 0.8241 (m-30) REVERT: D 553 ARG cc_start: 0.8537 (tmt-80) cc_final: 0.8078 (tmt-80) REVERT: D 581 ASN cc_start: 0.8049 (OUTLIER) cc_final: 0.7801 (p0) REVERT: D 659 TYR cc_start: 0.5481 (OUTLIER) cc_final: 0.4709 (m-80) REVERT: D 662 TRP cc_start: 0.7443 (OUTLIER) cc_final: 0.6918 (m-10) REVERT: D 663 TYR cc_start: 0.6503 (OUTLIER) cc_final: 0.5904 (t80) REVERT: D 700 GLU cc_start: 0.7682 (OUTLIER) cc_final: 0.7385 (mp0) REVERT: D 831 ARG cc_start: 0.8822 (OUTLIER) cc_final: 0.8577 (ptp-170) REVERT: D 869 ARG cc_start: 0.6286 (OUTLIER) cc_final: 0.5091 (ptt90) REVERT: D 870 ILE cc_start: 0.6626 (OUTLIER) cc_final: 0.5695 (mm) REVERT: D 944 GLU cc_start: 0.2164 (OUTLIER) cc_final: 0.1722 (tt0) REVERT: D 1044 ARG cc_start: 0.3951 (OUTLIER) cc_final: 0.3275 (tpp80) REVERT: D 1110 ARG cc_start: 0.9085 (OUTLIER) cc_final: 0.8818 (ptp-110) REVERT: D 1114 GLU cc_start: 0.8726 (OUTLIER) cc_final: 0.8407 (mm-30) REVERT: D 1120 LEU cc_start: 0.9403 (OUTLIER) cc_final: 0.9129 (mm) REVERT: D 1133 HIS cc_start: 0.9395 (OUTLIER) cc_final: 0.8783 (t-170) REVERT: D 1141 ARG cc_start: 0.8820 (OUTLIER) cc_final: 0.8166 (ptm160) REVERT: D 1152 MET cc_start: 0.8692 (OUTLIER) cc_final: 0.8442 (mtm) REVERT: D 1176 GLU cc_start: 0.5972 (OUTLIER) cc_final: 0.5748 (pm20) REVERT: D 1202 LEU cc_start: 0.9338 (OUTLIER) cc_final: 0.8860 (tp) REVERT: D 1204 LEU cc_start: 0.9193 (OUTLIER) cc_final: 0.8951 (mm) REVERT: D 1240 LYS cc_start: 0.9218 (OUTLIER) cc_final: 0.8999 (mtpt) REVERT: D 1242 LEU cc_start: 0.9298 (OUTLIER) cc_final: 0.8997 (mp) REVERT: D 1255 TYR cc_start: 0.8842 (OUTLIER) cc_final: 0.7470 (m-80) REVERT: D 1630 CYS cc_start: 0.8380 (OUTLIER) cc_final: 0.8009 (p) REVERT: D 1645 ASN cc_start: 0.9357 (OUTLIER) cc_final: 0.9122 (t0) REVERT: D 1655 GLU cc_start: 0.8881 (OUTLIER) cc_final: 0.8004 (tm-30) REVERT: D 1657 LEU cc_start: 0.9735 (OUTLIER) cc_final: 0.9418 (mm) REVERT: D 1703 LEU cc_start: 0.9528 (OUTLIER) cc_final: 0.9248 (mt) REVERT: D 1743 ARG cc_start: 0.8653 (OUTLIER) cc_final: 0.8091 (ttm110) REVERT: D 1853 ILE cc_start: 0.9740 (OUTLIER) cc_final: 0.9532 (tp) REVERT: D 1939 MET cc_start: 0.9076 (mmm) cc_final: 0.8819 (tpp) REVERT: D 2126 ARG cc_start: 0.9508 (OUTLIER) cc_final: 0.9251 (mtp85) REVERT: D 2191 PHE cc_start: 0.9186 (OUTLIER) cc_final: 0.8377 (t80) REVERT: D 2245 GLN cc_start: 0.9524 (OUTLIER) cc_final: 0.8853 (mm-40) REVERT: D 2364 PHE cc_start: 0.7531 (OUTLIER) cc_final: 0.6675 (m-80) REVERT: D 2420 HIS cc_start: 0.8231 (OUTLIER) cc_final: 0.7926 (t70) REVERT: D 2458 ARG cc_start: 0.7810 (OUTLIER) cc_final: 0.7518 (tpt90) REVERT: D 2777 TYR cc_start: -0.1825 (OUTLIER) cc_final: -0.2168 (m-80) REVERT: D 2779 GLU cc_start: 0.2041 (OUTLIER) cc_final: 0.0554 (mt-10) REVERT: D 2811 GLU cc_start: 0.4533 (OUTLIER) cc_final: 0.3992 (tm-30) REVERT: D 2874 MET cc_start: 0.4605 (mpp) cc_final: 0.4369 (mpp) REVERT: D 2928 LYS cc_start: 0.2325 (OUTLIER) cc_final: 0.2107 (mtpt) REVERT: D 3642 TYR cc_start: 0.7678 (OUTLIER) cc_final: 0.7001 (p90) REVERT: D 3647 HIS cc_start: 0.8082 (OUTLIER) cc_final: 0.7469 (p90) REVERT: D 3712 GLU cc_start: 0.8922 (OUTLIER) cc_final: 0.8584 (pm20) REVERT: D 3753 PHE cc_start: 0.7969 (OUTLIER) cc_final: 0.7597 (t80) REVERT: D 3782 MET cc_start: 0.9038 (tpp) cc_final: 0.8233 (mmm) REVERT: D 3805 LEU cc_start: 0.9473 (OUTLIER) cc_final: 0.9180 (pp) REVERT: D 3835 LEU cc_start: 0.9490 (OUTLIER) cc_final: 0.9189 (tt) REVERT: D 3886 ARG cc_start: 0.9259 (OUTLIER) cc_final: 0.8262 (tpt90) REVERT: D 4054 ASN cc_start: 0.9064 (OUTLIER) cc_final: 0.8459 (m-40) REVERT: D 4066 LEU cc_start: 0.9470 (OUTLIER) cc_final: 0.9193 (mp) REVERT: D 4071 ILE cc_start: 0.9246 (OUTLIER) cc_final: 0.9020 (tt) REVERT: D 4097 MET cc_start: 0.8997 (OUTLIER) cc_final: 0.8569 (mpp) REVERT: D 4108 ILE cc_start: 0.9262 (OUTLIER) cc_final: 0.9025 (mm) REVERT: D 4125 PHE cc_start: 0.9117 (OUTLIER) cc_final: 0.8874 (p90) REVERT: D 4132 PHE cc_start: 0.8652 (OUTLIER) cc_final: 0.8168 (m-10) REVERT: D 4142 ASN cc_start: 0.9550 (OUTLIER) cc_final: 0.9000 (t0) REVERT: D 4192 ARG cc_start: 0.9521 (OUTLIER) cc_final: 0.8949 (ttm170) REVERT: D 4205 TRP cc_start: 0.9594 (OUTLIER) cc_final: 0.9317 (t-100) REVERT: D 4562 LEU cc_start: 0.9179 (OUTLIER) cc_final: 0.8899 (tt) REVERT: D 4580 TYR cc_start: 0.9351 (OUTLIER) cc_final: 0.6783 (t80) REVERT: D 4736 ARG cc_start: 0.9129 (OUTLIER) cc_final: 0.8465 (mtp85) REVERT: D 4839 MET cc_start: 0.8868 (mmm) cc_final: 0.8620 (mmm) REVERT: D 4953 ASP cc_start: 0.8976 (OUTLIER) cc_final: 0.8732 (t0) REVERT: D 5020 ASP cc_start: 0.9446 (OUTLIER) cc_final: 0.9193 (m-30) REVERT: B 159 GLU cc_start: 0.8841 (OUTLIER) cc_final: 0.8535 (tm-30) REVERT: B 164 ARG cc_start: 0.8989 (OUTLIER) cc_final: 0.7322 (mpp-170) REVERT: B 210 GLU cc_start: 0.8082 (OUTLIER) cc_final: 0.7877 (pm20) REVERT: B 229 GLU cc_start: 0.7261 (OUTLIER) cc_final: 0.6875 (tt0) REVERT: B 276 TRP cc_start: 0.7190 (OUTLIER) cc_final: 0.6653 (m100) REVERT: B 283 ARG cc_start: 0.8057 (OUTLIER) cc_final: 0.7261 (ttm170) REVERT: B 386 ASP cc_start: 0.6656 (OUTLIER) cc_final: 0.5721 (t0) REVERT: B 405 HIS cc_start: 0.8999 (OUTLIER) cc_final: 0.8797 (t-90) REVERT: B 419 ASP cc_start: 0.8626 (OUTLIER) cc_final: 0.8229 (m-30) REVERT: B 552 ASP cc_start: 0.8571 (OUTLIER) cc_final: 0.8176 (t0) REVERT: B 581 ASN cc_start: 0.8044 (OUTLIER) cc_final: 0.7800 (p0) REVERT: B 659 TYR cc_start: 0.5478 (OUTLIER) cc_final: 0.4691 (m-80) REVERT: B 662 TRP cc_start: 0.7446 (OUTLIER) cc_final: 0.6884 (m-10) REVERT: B 663 TYR cc_start: 0.6487 (OUTLIER) cc_final: 0.5888 (t80) REVERT: B 700 GLU cc_start: 0.7659 (OUTLIER) cc_final: 0.7416 (mp0) REVERT: B 831 ARG cc_start: 0.8807 (OUTLIER) cc_final: 0.8473 (ptp-170) REVERT: B 869 ARG cc_start: 0.6281 (OUTLIER) cc_final: 0.5074 (ptt90) REVERT: B 870 ILE cc_start: 0.6607 (OUTLIER) cc_final: 0.5673 (mm) REVERT: B 944 GLU cc_start: 0.2401 (OUTLIER) cc_final: 0.1908 (tt0) REVERT: B 1044 ARG cc_start: 0.3955 (OUTLIER) cc_final: 0.3296 (tpp80) REVERT: B 1110 ARG cc_start: 0.9074 (OUTLIER) cc_final: 0.8808 (ptp-110) REVERT: B 1114 GLU cc_start: 0.8726 (OUTLIER) cc_final: 0.8397 (mm-30) REVERT: B 1120 LEU cc_start: 0.9401 (OUTLIER) cc_final: 0.9133 (mm) REVERT: B 1133 HIS cc_start: 0.9390 (OUTLIER) cc_final: 0.8785 (t-170) REVERT: B 1141 ARG cc_start: 0.8827 (OUTLIER) cc_final: 0.8131 (ptm160) REVERT: B 1152 MET cc_start: 0.8699 (OUTLIER) cc_final: 0.8434 (mtm) REVERT: B 1176 GLU cc_start: 0.5946 (OUTLIER) cc_final: 0.5733 (pm20) REVERT: B 1202 LEU cc_start: 0.9329 (OUTLIER) cc_final: 0.8861 (tp) REVERT: B 1204 LEU cc_start: 0.9195 (OUTLIER) cc_final: 0.8939 (mm) REVERT: B 1242 LEU cc_start: 0.9269 (OUTLIER) cc_final: 0.9011 (mp) REVERT: B 1255 TYR cc_start: 0.8828 (OUTLIER) cc_final: 0.7452 (m-80) REVERT: B 1630 CYS cc_start: 0.8428 (OUTLIER) cc_final: 0.8012 (p) REVERT: B 1645 ASN cc_start: 0.9395 (OUTLIER) cc_final: 0.9136 (t0) REVERT: B 1655 GLU cc_start: 0.8875 (OUTLIER) cc_final: 0.8047 (tm-30) REVERT: B 1703 LEU cc_start: 0.9536 (OUTLIER) cc_final: 0.9253 (mt) REVERT: B 1743 ARG cc_start: 0.8652 (OUTLIER) cc_final: 0.8092 (ttm110) REVERT: B 1771 LEU cc_start: 0.9203 (OUTLIER) cc_final: 0.8966 (mp) REVERT: B 1937 LEU cc_start: 0.9358 (OUTLIER) cc_final: 0.9140 (tp) REVERT: B 1939 MET cc_start: 0.9102 (mmm) cc_final: 0.8839 (tpp) REVERT: B 1958 LEU cc_start: 0.9142 (OUTLIER) cc_final: 0.8679 (tt) REVERT: B 2126 ARG cc_start: 0.9507 (OUTLIER) cc_final: 0.9245 (mtp85) REVERT: B 2191 PHE cc_start: 0.9177 (OUTLIER) cc_final: 0.8358 (t80) REVERT: B 2245 GLN cc_start: 0.9514 (OUTLIER) cc_final: 0.8847 (mm-40) REVERT: B 2364 PHE cc_start: 0.7567 (OUTLIER) cc_final: 0.6686 (m-80) REVERT: B 2420 HIS cc_start: 0.8233 (OUTLIER) cc_final: 0.7917 (t70) REVERT: B 2458 ARG cc_start: 0.7783 (OUTLIER) cc_final: 0.7494 (tpt90) REVERT: B 2777 TYR cc_start: -0.1823 (OUTLIER) cc_final: -0.2166 (m-80) REVERT: B 2779 GLU cc_start: 0.2042 (OUTLIER) cc_final: 0.0552 (mt-10) REVERT: B 2811 GLU cc_start: 0.4999 (OUTLIER) cc_final: 0.4164 (tm-30) REVERT: B 3642 TYR cc_start: 0.7654 (OUTLIER) cc_final: 0.6971 (p90) REVERT: B 3647 HIS cc_start: 0.8108 (OUTLIER) cc_final: 0.7251 (p90) REVERT: B 3648 ARG cc_start: 0.8547 (OUTLIER) cc_final: 0.7999 (ttm110) REVERT: B 3669 PHE cc_start: 0.8823 (OUTLIER) cc_final: 0.8134 (p90) REVERT: B 3712 GLU cc_start: 0.8918 (OUTLIER) cc_final: 0.8577 (pm20) REVERT: B 3753 PHE cc_start: 0.7975 (OUTLIER) cc_final: 0.7608 (t80) REVERT: B 3805 LEU cc_start: 0.9541 (OUTLIER) cc_final: 0.9221 (pp) REVERT: B 3835 LEU cc_start: 0.9498 (OUTLIER) cc_final: 0.9206 (tt) REVERT: B 3886 ARG cc_start: 0.9262 (OUTLIER) cc_final: 0.8288 (tpt90) REVERT: B 4054 ASN cc_start: 0.9063 (OUTLIER) cc_final: 0.8463 (m-40) REVERT: B 4071 ILE cc_start: 0.9239 (OUTLIER) cc_final: 0.9010 (tt) REVERT: B 4097 MET cc_start: 0.8993 (OUTLIER) cc_final: 0.8495 (mpp) REVERT: B 4108 ILE cc_start: 0.9221 (OUTLIER) cc_final: 0.8956 (mm) REVERT: B 4125 PHE cc_start: 0.9141 (OUTLIER) cc_final: 0.8896 (p90) REVERT: B 4132 PHE cc_start: 0.8651 (OUTLIER) cc_final: 0.8175 (m-10) REVERT: B 4142 ASN cc_start: 0.9555 (OUTLIER) cc_final: 0.8971 (t0) REVERT: B 4205 TRP cc_start: 0.9602 (OUTLIER) cc_final: 0.9332 (t-100) REVERT: B 4562 LEU cc_start: 0.9178 (OUTLIER) cc_final: 0.8912 (tt) REVERT: B 4580 TYR cc_start: 0.9350 (OUTLIER) cc_final: 0.6750 (t80) REVERT: B 4677 LEU cc_start: 0.9457 (OUTLIER) cc_final: 0.9242 (tp) REVERT: B 4736 ARG cc_start: 0.9137 (OUTLIER) cc_final: 0.8463 (mtp85) REVERT: B 4827 LEU cc_start: 0.9145 (OUTLIER) cc_final: 0.8912 (mp) REVERT: B 4839 MET cc_start: 0.8844 (mmm) cc_final: 0.8595 (mmm) REVERT: B 4953 ASP cc_start: 0.8973 (OUTLIER) cc_final: 0.8687 (t0) REVERT: B 5020 ASP cc_start: 0.9436 (OUTLIER) cc_final: 0.9163 (m-30) outliers start: 2533 outliers final: 1727 residues processed: 2962 average time/residue: 0.9182 time to fit residues: 4906.6075 Evaluate side-chains 2565 residues out of total 11248 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2019 poor density : 546 time to evaluate : 8.817 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 17 ASP Chi-restraints excluded: chain A residue 20 VAL Chi-restraints excluded: chain A residue 24 CYS Chi-restraints excluded: chain A residue 37 LEU Chi-restraints excluded: chain A residue 49 LEU Chi-restraints excluded: chain A residue 57 ASN Chi-restraints excluded: chain A residue 58 VAL Chi-restraints excluded: chain A residue 64 ILE Chi-restraints excluded: chain A residue 68 THR Chi-restraints excluded: chain A residue 69 LEU Chi-restraints excluded: chain A residue 74 SER Chi-restraints excluded: chain A residue 75 VAL Chi-restraints excluded: chain A residue 80 GLU Chi-restraints excluded: chain A residue 81 MET Chi-restraints excluded: chain A residue 107 ILE Chi-restraints excluded: chain A residue 109 LEU Chi-restraints excluded: chain A residue 111 HIS Chi-restraints excluded: chain A residue 114 SER Chi-restraints excluded: chain A residue 119 SER Chi-restraints excluded: chain A residue 131 LEU Chi-restraints excluded: chain A residue 134 ASP Chi-restraints excluded: chain A residue 144 GLU Chi-restraints excluded: chain A residue 149 THR Chi-restraints excluded: chain A residue 151 HIS Chi-restraints excluded: chain A residue 159 GLU Chi-restraints excluded: chain A residue 161 GLU Chi-restraints excluded: chain A residue 164 ARG Chi-restraints excluded: chain A residue 167 ASP Chi-restraints excluded: chain A residue 173 SER Chi-restraints excluded: chain A residue 192 ASP Chi-restraints excluded: chain A residue 206 CYS Chi-restraints excluded: chain A residue 211 GLU Chi-restraints excluded: chain A residue 215 THR Chi-restraints excluded: chain A residue 219 VAL Chi-restraints excluded: chain A residue 222 LEU Chi-restraints excluded: chain A residue 229 GLU Chi-restraints excluded: chain A residue 232 THR Chi-restraints excluded: chain A residue 258 SER Chi-restraints excluded: chain A residue 260 TRP Chi-restraints excluded: chain A residue 262 LEU Chi-restraints excluded: chain A residue 267 ILE Chi-restraints excluded: chain A residue 276 TRP Chi-restraints excluded: chain A residue 281 ARG Chi-restraints excluded: chain A residue 283 ARG Chi-restraints excluded: chain A residue 285 VAL Chi-restraints excluded: chain A residue 286 THR Chi-restraints excluded: chain A residue 287 THR Chi-restraints excluded: chain A residue 299 LEU Chi-restraints excluded: chain A residue 300 VAL Chi-restraints excluded: chain A residue 302 VAL Chi-restraints excluded: chain A residue 303 ASP 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 345 LEU Chi-restraints excluded: chain A residue 357 LEU Chi-restraints excluded: chain A residue 358 THR Chi-restraints excluded: chain A residue 359 TYR Chi-restraints excluded: chain A residue 373 LYS Chi-restraints excluded: chain A residue 381 GLU Chi-restraints excluded: chain A residue 389 PHE Chi-restraints excluded: chain A residue 396 GLU Chi-restraints excluded: chain A residue 405 HIS Chi-restraints excluded: chain A residue 419 ASP Chi-restraints excluded: chain A residue 424 LYS Chi-restraints excluded: chain A residue 436 LEU Chi-restraints excluded: chain A residue 444 SER Chi-restraints excluded: chain A residue 453 GLU Chi-restraints excluded: chain A residue 455 PRO Chi-restraints excluded: chain A residue 459 LEU Chi-restraints excluded: chain A residue 470 SER Chi-restraints excluded: chain A residue 472 ARG Chi-restraints excluded: chain A residue 477 LEU Chi-restraints excluded: chain A residue 478 PHE Chi-restraints excluded: chain A residue 483 MET Chi-restraints excluded: chain A residue 487 VAL Chi-restraints excluded: chain A residue 488 LEU Chi-restraints excluded: chain A residue 497 TYR Chi-restraints excluded: chain A residue 499 THR Chi-restraints excluded: chain A residue 503 PHE Chi-restraints excluded: chain A residue 510 GLU Chi-restraints excluded: chain A residue 519 VAL Chi-restraints excluded: chain A residue 520 ASN Chi-restraints excluded: chain A residue 534 ARG Chi-restraints excluded: chain A residue 537 CYS Chi-restraints excluded: chain A residue 542 THR Chi-restraints excluded: chain A residue 549 SER Chi-restraints excluded: chain A residue 552 ASP Chi-restraints excluded: chain A residue 554 LEU Chi-restraints excluded: chain A residue 557 SER Chi-restraints excluded: chain A residue 566 CYS Chi-restraints excluded: chain A residue 578 ILE Chi-restraints excluded: chain A residue 581 ASN Chi-restraints excluded: chain A residue 587 ILE Chi-restraints excluded: chain A residue 600 LEU Chi-restraints excluded: chain A residue 608 VAL Chi-restraints excluded: chain A residue 614 VAL Chi-restraints excluded: chain A residue 616 SER Chi-restraints excluded: chain A residue 622 THR Chi-restraints excluded: chain A residue 626 LEU Chi-restraints excluded: chain A residue 634 GLN Chi-restraints excluded: chain A residue 637 LEU Chi-restraints excluded: chain A residue 641 VAL Chi-restraints excluded: chain A residue 643 SER Chi-restraints excluded: chain A residue 648 ILE Chi-restraints excluded: chain A residue 650 VAL Chi-restraints excluded: chain A residue 659 TYR Chi-restraints excluded: chain A residue 661 LYS Chi-restraints excluded: chain A residue 662 TRP Chi-restraints excluded: chain A residue 663 TYR Chi-restraints excluded: chain A residue 668 VAL Chi-restraints excluded: chain A residue 669 ASP Chi-restraints excluded: chain A residue 671 VAL Chi-restraints excluded: chain A residue 674 PHE Chi-restraints excluded: chain A residue 682 LEU Chi-restraints excluded: chain A residue 684 VAL Chi-restraints excluded: chain A residue 700 GLU Chi-restraints excluded: chain A residue 707 VAL Chi-restraints excluded: chain A residue 710 ASP Chi-restraints excluded: chain A residue 716 PHE Chi-restraints excluded: chain A residue 719 LEU Chi-restraints excluded: chain A residue 723 THR Chi-restraints excluded: chain A residue 726 VAL 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 754 SER Chi-restraints excluded: chain A residue 759 ILE Chi-restraints excluded: chain A residue 776 LEU Chi-restraints excluded: chain A residue 780 VAL Chi-restraints excluded: chain A residue 784 SER Chi-restraints excluded: chain A residue 788 LYS Chi-restraints excluded: chain A residue 791 PHE Chi-restraints excluded: chain A residue 793 LEU Chi-restraints excluded: chain A residue 800 PHE Chi-restraints excluded: chain A residue 803 LEU Chi-restraints excluded: chain A residue 812 HIS Chi-restraints excluded: chain A residue 818 ARG Chi-restraints excluded: chain A residue 831 ARG Chi-restraints excluded: chain A residue 835 ARG Chi-restraints excluded: chain A residue 840 VAL Chi-restraints excluded: chain A residue 850 ASP Chi-restraints excluded: chain A residue 859 VAL Chi-restraints excluded: chain A residue 866 HIS Chi-restraints excluded: chain A residue 867 LEU Chi-restraints excluded: chain A residue 868 GLU Chi-restraints excluded: chain A residue 869 ARG Chi-restraints excluded: chain A residue 870 ILE Chi-restraints excluded: chain A residue 887 ILE Chi-restraints excluded: chain A residue 891 TRP Chi-restraints excluded: chain A residue 907 LEU Chi-restraints excluded: chain A residue 931 THR Chi-restraints excluded: chain A residue 944 GLU Chi-restraints excluded: chain A residue 972 LEU Chi-restraints excluded: chain A residue 974 HIS Chi-restraints excluded: chain A residue 1044 ARG Chi-restraints excluded: chain A residue 1046 LEU Chi-restraints excluded: chain A residue 1047 LEU Chi-restraints excluded: chain A residue 1076 ARG Chi-restraints excluded: chain A residue 1079 LYS Chi-restraints excluded: chain A residue 1080 SER Chi-restraints excluded: chain A residue 1082 THR Chi-restraints excluded: chain A residue 1083 VAL Chi-restraints excluded: chain A residue 1102 VAL Chi-restraints excluded: chain A residue 1112 ASP Chi-restraints excluded: chain A residue 1113 VAL Chi-restraints excluded: chain A residue 1114 GLU Chi-restraints excluded: chain A residue 1120 LEU Chi-restraints excluded: chain A residue 1133 HIS Chi-restraints excluded: chain A residue 1139 PHE Chi-restraints excluded: chain A residue 1141 ARG Chi-restraints excluded: chain A residue 1148 VAL Chi-restraints excluded: chain A residue 1149 VAL Chi-restraints excluded: chain A residue 1152 MET Chi-restraints excluded: chain A residue 1153 ILE Chi-restraints excluded: chain A residue 1154 ASP Chi-restraints excluded: chain A residue 1159 THR Chi-restraints excluded: chain A residue 1164 LEU Chi-restraints excluded: chain A residue 1176 GLU Chi-restraints excluded: chain A residue 1179 PHE Chi-restraints excluded: chain A residue 1184 ILE Chi-restraints excluded: chain A residue 1191 VAL Chi-restraints excluded: chain A residue 1193 SER Chi-restraints excluded: chain A residue 1198 GLN Chi-restraints excluded: chain A residue 1201 HIS 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 1210 SER Chi-restraints excluded: chain A residue 1214 PHE Chi-restraints excluded: chain A residue 1234 VAL Chi-restraints excluded: chain A residue 1235 THR Chi-restraints excluded: chain A residue 1238 PHE Chi-restraints excluded: chain A residue 1240 LYS Chi-restraints excluded: chain A residue 1242 LEU Chi-restraints excluded: chain A residue 1255 TYR Chi-restraints excluded: chain A residue 1260 MET Chi-restraints excluded: chain A residue 1266 THR Chi-restraints excluded: chain A residue 1274 HIS Chi-restraints excluded: chain A residue 1574 PRO 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 1608 MET Chi-restraints excluded: chain A residue 1612 PHE Chi-restraints excluded: chain A residue 1635 THR Chi-restraints excluded: chain A residue 1637 MET Chi-restraints excluded: chain A residue 1639 LEU Chi-restraints excluded: chain A residue 1645 ASN Chi-restraints excluded: chain A residue 1647 CYS Chi-restraints excluded: chain A residue 1648 MET Chi-restraints excluded: chain A residue 1652 GLU Chi-restraints excluded: chain A residue 1653 LEU Chi-restraints excluded: chain A residue 1655 GLU Chi-restraints excluded: chain A residue 1656 ARG Chi-restraints excluded: chain A residue 1664 SER Chi-restraints excluded: chain A residue 1666 THR Chi-restraints excluded: chain A residue 1681 VAL Chi-restraints excluded: chain A residue 1687 SER Chi-restraints excluded: chain A residue 1695 LEU Chi-restraints excluded: chain A residue 1700 ASP Chi-restraints excluded: chain A residue 1702 HIS Chi-restraints excluded: chain A residue 1703 LEU Chi-restraints excluded: chain A residue 1706 PRO Chi-restraints excluded: chain A residue 1714 LEU Chi-restraints excluded: chain A residue 1716 ILE Chi-restraints excluded: chain A residue 1717 SER Chi-restraints excluded: chain A residue 1721 GLU Chi-restraints excluded: chain A residue 1730 MET Chi-restraints excluded: chain A residue 1731 LEU Chi-restraints excluded: chain A residue 1734 TYR Chi-restraints excluded: chain A residue 1736 VAL Chi-restraints excluded: chain A residue 1739 THR Chi-restraints excluded: chain A residue 1742 THR Chi-restraints excluded: chain A residue 1743 ARG Chi-restraints excluded: chain A residue 1762 LEU Chi-restraints excluded: chain A residue 1767 VAL Chi-restraints excluded: chain A residue 1769 THR Chi-restraints excluded: chain A residue 1770 SER Chi-restraints excluded: chain A residue 1797 ARG Chi-restraints excluded: chain A residue 1798 LEU Chi-restraints excluded: chain A residue 1802 ILE Chi-restraints excluded: chain A residue 1830 VAL Chi-restraints excluded: chain A residue 1833 SER Chi-restraints excluded: chain A residue 1845 VAL Chi-restraints excluded: chain A residue 1847 THR Chi-restraints excluded: chain A residue 1850 VAL Chi-restraints excluded: chain A residue 1853 ILE Chi-restraints excluded: chain A residue 1935 VAL Chi-restraints excluded: chain A residue 1947 CYS Chi-restraints excluded: chain A residue 1953 HIS Chi-restraints excluded: chain A residue 1955 VAL Chi-restraints excluded: chain A residue 1969 LEU Chi-restraints excluded: chain A residue 1980 LEU Chi-restraints excluded: chain A residue 2006 ILE Chi-restraints excluded: chain A residue 2010 LEU Chi-restraints excluded: chain A residue 2011 HIS Chi-restraints excluded: chain A residue 2031 LEU Chi-restraints excluded: chain A residue 2041 HIS Chi-restraints excluded: chain A residue 2097 LEU Chi-restraints excluded: chain A residue 2098 VAL Chi-restraints excluded: chain A residue 2099 SER Chi-restraints excluded: chain A residue 2103 VAL Chi-restraints excluded: chain A residue 2117 VAL Chi-restraints excluded: chain A residue 2122 SER Chi-restraints excluded: chain A residue 2125 HIS Chi-restraints excluded: chain A residue 2126 ARG Chi-restraints excluded: chain A residue 2128 TYR Chi-restraints excluded: chain A residue 2140 ARG Chi-restraints excluded: chain A residue 2148 SER Chi-restraints excluded: chain A residue 2152 THR Chi-restraints excluded: chain A residue 2164 SER Chi-restraints excluded: chain A residue 2166 LEU Chi-restraints excluded: chain A residue 2167 ILE Chi-restraints excluded: chain A residue 2172 PRO Chi-restraints excluded: chain A residue 2187 ASN Chi-restraints excluded: chain A residue 2191 PHE Chi-restraints excluded: chain A residue 2192 TYR Chi-restraints excluded: chain A residue 2194 HIS Chi-restraints excluded: chain A residue 2198 MET Chi-restraints excluded: chain A residue 2210 VAL Chi-restraints excluded: chain A residue 2215 LEU Chi-restraints excluded: chain A residue 2223 ILE Chi-restraints excluded: chain A residue 2229 VAL Chi-restraints excluded: chain A residue 2240 CYS Chi-restraints excluded: chain A residue 2245 GLN Chi-restraints excluded: chain A residue 2246 ASN Chi-restraints excluded: chain A residue 2249 SER Chi-restraints excluded: chain A residue 2253 HIS Chi-restraints excluded: chain A residue 2273 LEU Chi-restraints excluded: chain A residue 2274 ASP Chi-restraints excluded: chain A residue 2279 SER Chi-restraints excluded: chain A residue 2281 ILE Chi-restraints excluded: chain A residue 2291 GLN Chi-restraints excluded: chain A residue 2299 VAL Chi-restraints excluded: chain A residue 2300 SER Chi-restraints excluded: chain A residue 2301 TYR Chi-restraints excluded: chain A residue 2302 LEU Chi-restraints excluded: chain A residue 2341 VAL Chi-restraints excluded: chain A residue 2364 PHE Chi-restraints excluded: chain A residue 2418 LEU Chi-restraints excluded: chain A residue 2420 HIS Chi-restraints excluded: chain A residue 2438 PRO Chi-restraints excluded: chain A residue 2442 LEU Chi-restraints excluded: chain A residue 2451 LEU Chi-restraints excluded: chain A residue 2456 ILE Chi-restraints excluded: chain A residue 2457 LEU Chi-restraints excluded: chain A residue 2458 ARG Chi-restraints excluded: chain A residue 2460 LEU Chi-restraints excluded: chain A residue 2752 ASP Chi-restraints excluded: chain A residue 2762 THR Chi-restraints excluded: chain A residue 2777 TYR Chi-restraints excluded: chain A residue 2779 GLU Chi-restraints excluded: chain A residue 2807 TRP Chi-restraints excluded: chain A residue 2809 ILE Chi-restraints excluded: chain A residue 2811 GLU Chi-restraints excluded: chain A residue 2869 ARG Chi-restraints excluded: chain A residue 2872 GLN Chi-restraints excluded: chain A residue 2882 TYR Chi-restraints excluded: chain A residue 2883 HIS Chi-restraints excluded: chain A residue 2892 GLN Chi-restraints excluded: chain A residue 2894 LEU Chi-restraints excluded: chain A residue 2895 GLU Chi-restraints excluded: chain A residue 2904 LEU Chi-restraints excluded: chain A residue 2928 LYS Chi-restraints excluded: chain A residue 2937 VAL Chi-restraints excluded: chain A residue 2939 ARG Chi-restraints excluded: chain A residue 3642 TYR Chi-restraints excluded: chain A residue 3647 HIS Chi-restraints excluded: chain A residue 3648 ARG Chi-restraints excluded: chain A residue 3656 SER Chi-restraints excluded: chain A residue 3657 TYR Chi-restraints excluded: chain A residue 3658 LYS Chi-restraints excluded: chain A residue 3661 TRP Chi-restraints excluded: chain A residue 3663 LEU Chi-restraints excluded: chain A residue 3669 PHE Chi-restraints excluded: chain A residue 3674 ILE Chi-restraints excluded: chain A residue 3678 SER Chi-restraints excluded: chain A residue 3696 ASP Chi-restraints excluded: chain A residue 3703 LEU Chi-restraints excluded: chain A residue 3708 THR Chi-restraints excluded: chain A residue 3710 LEU Chi-restraints excluded: chain A residue 3711 THR Chi-restraints excluded: chain A residue 3712 GLU Chi-restraints excluded: chain A residue 3727 ASP Chi-restraints excluded: chain A residue 3728 ILE Chi-restraints excluded: chain A residue 3733 CYS Chi-restraints excluded: chain A residue 3751 VAL Chi-restraints excluded: chain A residue 3753 PHE Chi-restraints excluded: chain A residue 3761 GLN Chi-restraints excluded: chain A residue 3764 LEU Chi-restraints excluded: chain A residue 3790 THR Chi-restraints excluded: chain A residue 3794 VAL Chi-restraints excluded: chain A residue 3803 SER Chi-restraints excluded: chain A residue 3804 ILE Chi-restraints excluded: chain A residue 3805 LEU Chi-restraints excluded: chain A residue 3809 ASN Chi-restraints excluded: chain A residue 3822 ASP Chi-restraints excluded: chain A residue 3825 GLU Chi-restraints excluded: chain A residue 3830 GLN Chi-restraints excluded: chain A residue 3832 ILE Chi-restraints excluded: chain A residue 3835 LEU Chi-restraints excluded: chain A residue 3836 MET Chi-restraints excluded: chain A residue 3838 THR Chi-restraints excluded: chain A residue 3886 ARG Chi-restraints excluded: chain A residue 3890 LEU Chi-restraints excluded: chain A residue 3892 CYS Chi-restraints excluded: chain A residue 3899 PHE Chi-restraints excluded: chain A residue 3905 THR Chi-restraints excluded: chain A residue 3907 THR Chi-restraints excluded: chain A residue 3910 THR Chi-restraints excluded: chain A residue 3911 THR Chi-restraints excluded: chain A residue 3913 ILE Chi-restraints excluded: chain A residue 3919 THR Chi-restraints excluded: chain A residue 3920 VAL Chi-restraints excluded: chain A residue 3930 ILE Chi-restraints excluded: chain A residue 3938 SER Chi-restraints excluded: chain A residue 3950 ASN Chi-restraints excluded: chain A residue 3952 SER Chi-restraints excluded: chain A residue 3964 SER Chi-restraints excluded: chain A residue 3966 THR Chi-restraints excluded: chain A residue 3973 CYS Chi-restraints excluded: chain A residue 3974 THR Chi-restraints excluded: chain A residue 3979 SER Chi-restraints excluded: chain A residue 4019 LEU Chi-restraints excluded: chain A residue 4021 LYS Chi-restraints excluded: chain A residue 4045 VAL Chi-restraints excluded: chain A residue 4054 ASN Chi-restraints excluded: chain A residue 4066 LEU Chi-restraints excluded: chain A residue 4071 ILE Chi-restraints excluded: chain A residue 4072 VAL Chi-restraints excluded: chain A residue 4081 VAL Chi-restraints excluded: chain A residue 4083 ASP Chi-restraints excluded: chain A residue 4088 ILE Chi-restraints excluded: chain A residue 4092 ASP Chi-restraints excluded: chain A residue 4098 ASP Chi-restraints excluded: chain A residue 4102 GLN Chi-restraints excluded: chain A residue 4104 THR Chi-restraints excluded: chain A residue 4108 ILE Chi-restraints excluded: chain A residue 4113 SER Chi-restraints excluded: chain A residue 4115 SER Chi-restraints excluded: chain A residue 4116 GLU Chi-restraints excluded: chain A residue 4118 ASP Chi-restraints excluded: chain A residue 4119 GLU Chi-restraints excluded: chain A residue 4123 ILE Chi-restraints excluded: chain A residue 4125 PHE Chi-restraints excluded: chain A residue 4132 PHE Chi-restraints excluded: chain A residue 4142 ASN Chi-restraints excluded: chain A residue 4151 SER Chi-restraints excluded: chain A residue 4161 ARG Chi-restraints excluded: chain A residue 4166 LEU Chi-restraints excluded: chain A residue 4168 GLU Chi-restraints excluded: chain A residue 4170 ILE Chi-restraints excluded: chain A residue 4180 ARG Chi-restraints excluded: chain A residue 4182 GLU Chi-restraints excluded: chain A residue 4184 MET Chi-restraints excluded: chain A residue 4187 SER Chi-restraints excluded: chain A residue 4197 ILE Chi-restraints excluded: chain A residue 4199 GLU Chi-restraints excluded: chain A residue 4205 TRP Chi-restraints excluded: chain A residue 4213 SER Chi-restraints excluded: chain A residue 4217 PHE Chi-restraints excluded: chain A residue 4221 VAL Chi-restraints excluded: chain A residue 4241 THR Chi-restraints excluded: chain A residue 4246 GLN Chi-restraints excluded: chain A residue 4251 ILE Chi-restraints excluded: chain A residue 4549 VAL Chi-restraints excluded: chain A residue 4552 LEU Chi-restraints excluded: chain A residue 4553 ASN Chi-restraints excluded: chain A residue 4561 THR Chi-restraints excluded: chain A residue 4562 LEU Chi-restraints excluded: chain A residue 4569 LEU Chi-restraints excluded: chain A residue 4573 ILE Chi-restraints excluded: chain A residue 4574 ASN Chi-restraints excluded: chain A residue 4580 TYR Chi-restraints excluded: chain A residue 4584 ASP Chi-restraints excluded: chain A residue 4628 VAL Chi-restraints excluded: chain A residue 4631 PHE Chi-restraints excluded: chain A residue 4639 MET Chi-restraints excluded: chain A residue 4647 SER Chi-restraints excluded: chain A residue 4648 LEU Chi-restraints excluded: chain A residue 4651 THR Chi-restraints excluded: chain A residue 4676 GLU Chi-restraints excluded: chain A residue 4688 ILE Chi-restraints excluded: chain A residue 4694 ASP Chi-restraints excluded: chain A residue 4695 ASP Chi-restraints excluded: chain A residue 4724 VAL Chi-restraints excluded: chain A residue 4728 HIS Chi-restraints excluded: chain A residue 4736 ARG Chi-restraints excluded: chain A residue 4743 MET Chi-restraints excluded: chain A residue 4744 ASP Chi-restraints excluded: chain A residue 4751 THR Chi-restraints excluded: chain A residue 4765 LEU Chi-restraints excluded: chain A residue 4768 LEU Chi-restraints excluded: chain A residue 4770 SER Chi-restraints excluded: chain A residue 4782 VAL Chi-restraints excluded: chain A residue 4788 SER Chi-restraints excluded: chain A residue 4797 VAL Chi-restraints excluded: chain A residue 4799 SER Chi-restraints excluded: chain A residue 4803 HIS Chi-restraints excluded: chain A residue 4804 TYR Chi-restraints excluded: chain A residue 4818 MET Chi-restraints excluded: chain A residue 4822 THR Chi-restraints excluded: chain A residue 4827 LEU Chi-restraints excluded: chain A residue 4828 SER Chi-restraints excluded: chain A residue 4831 THR Chi-restraints excluded: chain A residue 4840 THR Chi-restraints excluded: chain A residue 4852 THR Chi-restraints excluded: chain A residue 4856 PHE Chi-restraints excluded: chain A residue 4858 PHE Chi-restraints excluded: chain A residue 4861 LYS Chi-restraints excluded: chain A residue 4869 GLU Chi-restraints excluded: chain A residue 4870 ASP Chi-restraints excluded: chain A residue 4873 ASP Chi-restraints excluded: chain A residue 4879 MET Chi-restraints excluded: chain A residue 4881 THR Chi-restraints excluded: chain A residue 4887 MET Chi-restraints excluded: chain A residue 4891 VAL Chi-restraints excluded: chain A residue 4910 GLU Chi-restraints excluded: chain A residue 4915 VAL Chi-restraints excluded: chain A residue 4919 THR Chi-restraints excluded: chain A residue 4925 ILE Chi-restraints excluded: chain A residue 4928 LEU Chi-restraints excluded: chain A residue 4937 ILE Chi-restraints excluded: chain A residue 4938 ASP Chi-restraints excluded: chain A residue 4943 LEU Chi-restraints excluded: chain A residue 4947 GLN Chi-restraints excluded: chain A residue 4950 VAL Chi-restraints excluded: chain A residue 4952 GLU Chi-restraints excluded: chain A residue 4953 ASP Chi-restraints excluded: chain A residue 4961 CYS Chi-restraints excluded: chain A residue 4963 ILE Chi-restraints excluded: chain A residue 4965 SER Chi-restraints excluded: chain A residue 4970 THR Chi-restraints excluded: chain A residue 4977 THR Chi-restraints excluded: chain A residue 4979 THR Chi-restraints excluded: chain A residue 4983 HIS Chi-restraints excluded: chain A residue 4985 LEU Chi-restraints excluded: chain A residue 4997 ASN Chi-restraints excluded: chain A residue 5001 THR Chi-restraints excluded: chain A residue 5008 SER Chi-restraints excluded: chain A residue 5020 ASP Chi-restraints excluded: chain A residue 5021 PHE Chi-restraints excluded: chain A residue 5030 LYS Chi-restraints excluded: chain A residue 5034 ASP Chi-restraints excluded: chain A residue 5036 LEU Chi-restraints excluded: chain A residue 5037 SER Chi-restraints excluded: chain C residue 17 ASP Chi-restraints excluded: chain C residue 20 VAL Chi-restraints excluded: chain C residue 24 CYS Chi-restraints excluded: chain C residue 37 LEU Chi-restraints excluded: chain C residue 49 LEU Chi-restraints excluded: chain C residue 57 ASN Chi-restraints excluded: chain C residue 58 VAL Chi-restraints excluded: chain C residue 64 ILE Chi-restraints excluded: chain C residue 68 THR Chi-restraints excluded: chain C residue 69 LEU Chi-restraints excluded: chain C residue 74 SER Chi-restraints excluded: chain C residue 75 VAL Chi-restraints excluded: chain C residue 80 GLU Chi-restraints excluded: chain C residue 81 MET Chi-restraints excluded: chain C residue 107 ILE Chi-restraints excluded: chain C residue 109 LEU Chi-restraints excluded: chain C residue 111 HIS Chi-restraints excluded: chain C residue 114 SER Chi-restraints excluded: chain C residue 119 SER Chi-restraints excluded: chain C residue 131 LEU Chi-restraints excluded: chain C residue 144 GLU Chi-restraints excluded: chain C residue 149 THR Chi-restraints excluded: chain C residue 151 HIS Chi-restraints excluded: chain C residue 161 GLU Chi-restraints excluded: chain C residue 162 LYS Chi-restraints excluded: chain C residue 164 ARG Chi-restraints excluded: chain C residue 167 ASP Chi-restraints excluded: chain C residue 173 SER Chi-restraints excluded: chain C residue 192 ASP Chi-restraints excluded: chain C residue 206 CYS Chi-restraints excluded: chain C residue 215 THR Chi-restraints excluded: chain C residue 219 VAL Chi-restraints excluded: chain C residue 222 LEU Chi-restraints excluded: chain C residue 229 GLU Chi-restraints excluded: chain C residue 232 THR Chi-restraints excluded: chain C residue 258 SER Chi-restraints excluded: chain C residue 260 TRP Chi-restraints excluded: chain C residue 262 LEU Chi-restraints excluded: chain C residue 267 ILE Chi-restraints excluded: chain C residue 276 TRP Chi-restraints excluded: chain C residue 281 ARG Chi-restraints excluded: chain C residue 285 VAL Chi-restraints excluded: chain C residue 286 THR Chi-restraints excluded: chain C residue 287 THR Chi-restraints excluded: chain C residue 299 LEU Chi-restraints excluded: chain C residue 300 VAL Chi-restraints excluded: chain C residue 302 VAL Chi-restraints excluded: chain C residue 303 ASP 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 320 LYS Chi-restraints excluded: chain C residue 345 LEU Chi-restraints excluded: chain C residue 348 VAL Chi-restraints excluded: chain C residue 355 LEU Chi-restraints excluded: chain C residue 357 LEU Chi-restraints excluded: chain C residue 358 THR Chi-restraints excluded: chain C residue 359 TYR Chi-restraints excluded: chain C residue 373 LYS Chi-restraints excluded: chain C residue 381 GLU Chi-restraints excluded: chain C residue 386 ASP Chi-restraints excluded: chain C residue 388 LEU Chi-restraints excluded: chain C residue 389 PHE Chi-restraints excluded: chain C residue 396 GLU Chi-restraints excluded: chain C residue 419 ASP Chi-restraints excluded: chain C residue 424 LYS Chi-restraints excluded: chain C residue 436 LEU Chi-restraints excluded: chain C residue 444 SER Chi-restraints excluded: chain C residue 453 GLU Chi-restraints excluded: chain C residue 455 PRO Chi-restraints excluded: chain C residue 459 LEU Chi-restraints excluded: chain C residue 470 SER Chi-restraints excluded: chain C residue 477 LEU Chi-restraints excluded: chain C residue 478 PHE Chi-restraints excluded: chain C residue 483 MET Chi-restraints excluded: chain C residue 487 VAL Chi-restraints excluded: chain C residue 488 LEU Chi-restraints excluded: chain C residue 497 TYR Chi-restraints excluded: chain C residue 499 THR Chi-restraints excluded: chain C residue 503 PHE Chi-restraints excluded: chain C residue 510 GLU Chi-restraints excluded: chain C residue 519 VAL Chi-restraints excluded: chain C residue 521 LEU Chi-restraints excluded: chain C residue 534 ARG Chi-restraints excluded: chain C residue 537 CYS Chi-restraints excluded: chain C residue 542 THR Chi-restraints excluded: chain C residue 549 SER Chi-restraints excluded: chain C residue 553 ARG Chi-restraints excluded: chain C residue 554 LEU Chi-restraints excluded: chain C residue 557 SER Chi-restraints excluded: chain C residue 566 CYS Chi-restraints excluded: chain C residue 581 ASN Chi-restraints excluded: chain C residue 587 ILE Chi-restraints excluded: chain C residue 600 LEU Chi-restraints excluded: chain C residue 608 VAL Chi-restraints excluded: chain C residue 614 VAL Chi-restraints excluded: chain C residue 616 SER Chi-restraints excluded: chain C residue 622 THR Chi-restraints excluded: chain C residue 634 GLN Chi-restraints excluded: chain C residue 637 LEU Chi-restraints excluded: chain C residue 641 VAL Chi-restraints excluded: chain C residue 643 SER Chi-restraints excluded: chain C residue 648 ILE Chi-restraints excluded: chain C residue 650 VAL Chi-restraints excluded: chain C residue 659 TYR Chi-restraints excluded: chain C residue 661 LYS Chi-restraints excluded: chain C residue 662 TRP Chi-restraints excluded: chain C residue 663 TYR Chi-restraints excluded: chain C residue 668 VAL Chi-restraints excluded: chain C residue 669 ASP Chi-restraints excluded: chain C residue 671 VAL Chi-restraints excluded: chain C residue 674 PHE Chi-restraints excluded: chain C residue 680 THR Chi-restraints excluded: chain C residue 684 VAL Chi-restraints excluded: chain C residue 700 GLU Chi-restraints excluded: chain C residue 707 VAL Chi-restraints excluded: chain C residue 710 ASP Chi-restraints excluded: chain C residue 716 PHE Chi-restraints excluded: chain C residue 719 LEU Chi-restraints excluded: chain C residue 720 HIS Chi-restraints excluded: chain C residue 723 THR Chi-restraints excluded: chain C residue 726 VAL 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 754 SER Chi-restraints excluded: chain C residue 759 ILE Chi-restraints excluded: chain C residue 776 LEU Chi-restraints excluded: chain C residue 780 VAL Chi-restraints excluded: chain C residue 784 SER Chi-restraints excluded: chain C residue 791 PHE Chi-restraints excluded: chain C residue 793 LEU Chi-restraints excluded: chain C residue 800 PHE Chi-restraints excluded: chain C residue 812 HIS Chi-restraints excluded: chain C residue 831 ARG Chi-restraints excluded: chain C residue 840 VAL Chi-restraints excluded: chain C residue 850 ASP Chi-restraints excluded: chain C residue 859 VAL Chi-restraints excluded: chain C residue 866 HIS Chi-restraints excluded: chain C residue 867 LEU Chi-restraints excluded: chain C residue 868 GLU Chi-restraints excluded: chain C residue 869 ARG Chi-restraints excluded: chain C residue 870 ILE Chi-restraints excluded: chain C residue 887 ILE Chi-restraints excluded: chain C residue 891 TRP Chi-restraints excluded: chain C residue 907 LEU Chi-restraints excluded: chain C residue 931 THR Chi-restraints excluded: chain C residue 944 GLU Chi-restraints excluded: chain C residue 961 MET Chi-restraints excluded: chain C residue 972 LEU Chi-restraints excluded: chain C residue 974 HIS Chi-restraints excluded: chain C residue 1044 ARG Chi-restraints excluded: chain C residue 1046 LEU Chi-restraints excluded: chain C residue 1047 LEU Chi-restraints excluded: chain C residue 1076 ARG Chi-restraints excluded: chain C residue 1079 LYS Chi-restraints excluded: chain C residue 1080 SER Chi-restraints excluded: chain C residue 1082 THR Chi-restraints excluded: chain C residue 1083 VAL Chi-restraints excluded: chain C residue 1102 VAL Chi-restraints excluded: chain C residue 1112 ASP Chi-restraints excluded: chain C residue 1113 VAL Chi-restraints excluded: chain C residue 1114 GLU Chi-restraints excluded: chain C residue 1120 LEU Chi-restraints excluded: chain C residue 1133 HIS Chi-restraints excluded: chain C residue 1139 PHE Chi-restraints excluded: chain C residue 1141 ARG Chi-restraints excluded: chain C residue 1148 VAL Chi-restraints excluded: chain C residue 1149 VAL 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 1159 THR Chi-restraints excluded: chain C residue 1164 LEU Chi-restraints excluded: chain C residue 1176 GLU Chi-restraints excluded: chain C residue 1179 PHE Chi-restraints excluded: chain C residue 1184 ILE Chi-restraints excluded: chain C residue 1191 VAL Chi-restraints excluded: chain C residue 1193 SER Chi-restraints excluded: chain C residue 1198 GLN Chi-restraints excluded: chain C residue 1201 HIS 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 1210 SER Chi-restraints excluded: chain C residue 1214 PHE Chi-restraints excluded: chain C residue 1234 VAL Chi-restraints excluded: chain C residue 1235 THR Chi-restraints excluded: chain C residue 1238 PHE Chi-restraints excluded: chain C residue 1240 LYS Chi-restraints excluded: chain C residue 1242 LEU Chi-restraints excluded: chain C residue 1255 TYR Chi-restraints excluded: chain C residue 1260 MET Chi-restraints excluded: chain C residue 1266 THR Chi-restraints excluded: chain C residue 1274 HIS Chi-restraints excluded: chain C residue 1574 PRO 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 1608 MET Chi-restraints excluded: chain C residue 1612 PHE Chi-restraints excluded: chain C residue 1630 CYS Chi-restraints excluded: chain C residue 1635 THR Chi-restraints excluded: chain C residue 1637 MET Chi-restraints excluded: chain C residue 1639 LEU Chi-restraints excluded: chain C residue 1645 ASN Chi-restraints excluded: chain C residue 1647 CYS Chi-restraints excluded: chain C residue 1648 MET Chi-restraints excluded: chain C residue 1652 GLU Chi-restraints excluded: chain C residue 1653 LEU Chi-restraints excluded: chain C residue 1655 GLU Chi-restraints excluded: chain C residue 1656 ARG Chi-restraints excluded: chain C residue 1664 SER Chi-restraints excluded: chain C residue 1666 THR Chi-restraints excluded: chain C residue 1681 VAL Chi-restraints excluded: chain C residue 1687 SER Chi-restraints excluded: chain C residue 1695 LEU Chi-restraints excluded: chain C residue 1700 ASP Chi-restraints excluded: chain C residue 1702 HIS Chi-restraints excluded: chain C residue 1703 LEU Chi-restraints excluded: chain C residue 1716 ILE Chi-restraints excluded: chain C residue 1717 SER Chi-restraints excluded: chain C residue 1721 GLU Chi-restraints excluded: chain C residue 1730 MET Chi-restraints excluded: chain C residue 1731 LEU Chi-restraints excluded: chain C residue 1734 TYR Chi-restraints excluded: chain C residue 1736 VAL Chi-restraints excluded: chain C residue 1739 THR Chi-restraints excluded: chain C residue 1742 THR Chi-restraints excluded: chain C residue 1743 ARG Chi-restraints excluded: chain C residue 1762 LEU Chi-restraints excluded: chain C residue 1767 VAL Chi-restraints excluded: chain C residue 1769 THR Chi-restraints excluded: chain C residue 1770 SER Chi-restraints excluded: chain C residue 1786 LEU Chi-restraints excluded: chain C residue 1802 ILE Chi-restraints excluded: chain C residue 1830 VAL Chi-restraints excluded: chain C residue 1833 SER Chi-restraints excluded: chain C residue 1845 VAL Chi-restraints excluded: chain C residue 1847 THR Chi-restraints excluded: chain C residue 1850 VAL Chi-restraints excluded: chain C residue 1853 ILE Chi-restraints excluded: chain C residue 1935 VAL Chi-restraints excluded: chain C residue 1937 LEU Chi-restraints excluded: chain C residue 1947 CYS Chi-restraints excluded: chain C residue 1953 HIS Chi-restraints excluded: chain C residue 1955 VAL Chi-restraints excluded: chain C residue 1969 LEU Chi-restraints excluded: chain C residue 1980 LEU Chi-restraints excluded: chain C residue 2006 ILE Chi-restraints excluded: chain C residue 2010 LEU Chi-restraints excluded: chain C residue 2011 HIS Chi-restraints excluded: chain C residue 2031 LEU Chi-restraints excluded: chain C residue 2041 HIS Chi-restraints excluded: chain C residue 2097 LEU Chi-restraints excluded: chain C residue 2098 VAL Chi-restraints excluded: chain C residue 2099 SER Chi-restraints excluded: chain C residue 2103 VAL Chi-restraints excluded: chain C residue 2117 VAL Chi-restraints excluded: chain C residue 2122 SER Chi-restraints excluded: chain C residue 2126 ARG Chi-restraints excluded: chain C residue 2148 SER Chi-restraints excluded: chain C residue 2152 THR Chi-restraints excluded: chain C residue 2164 SER Chi-restraints excluded: chain C residue 2166 LEU Chi-restraints excluded: chain C residue 2167 ILE Chi-restraints excluded: chain C residue 2172 PRO Chi-restraints excluded: chain C residue 2187 ASN Chi-restraints excluded: chain C residue 2191 PHE Chi-restraints excluded: chain C residue 2192 TYR Chi-restraints excluded: chain C residue 2194 HIS Chi-restraints excluded: chain C residue 2210 VAL Chi-restraints excluded: chain C residue 2215 LEU Chi-restraints excluded: chain C residue 2223 ILE Chi-restraints excluded: chain C residue 2229 VAL Chi-restraints excluded: chain C residue 2240 CYS Chi-restraints excluded: chain C residue 2245 GLN Chi-restraints excluded: chain C residue 2246 ASN Chi-restraints excluded: chain C residue 2249 SER Chi-restraints excluded: chain C residue 2253 HIS Chi-restraints excluded: chain C residue 2273 LEU Chi-restraints excluded: chain C residue 2274 ASP Chi-restraints excluded: chain C residue 2279 SER Chi-restraints excluded: chain C residue 2281 ILE Chi-restraints excluded: chain C residue 2286 LEU Chi-restraints excluded: chain C residue 2291 GLN Chi-restraints excluded: chain C residue 2299 VAL Chi-restraints excluded: chain C residue 2300 SER Chi-restraints excluded: chain C residue 2301 TYR Chi-restraints excluded: chain C residue 2302 LEU Chi-restraints excluded: chain C residue 2341 VAL Chi-restraints excluded: chain C residue 2364 PHE Chi-restraints excluded: chain C residue 2418 LEU Chi-restraints excluded: chain C residue 2420 HIS Chi-restraints excluded: chain C residue 2438 PRO Chi-restraints excluded: chain C residue 2442 LEU Chi-restraints excluded: chain C residue 2451 LEU Chi-restraints excluded: chain C residue 2456 ILE Chi-restraints excluded: chain C residue 2457 LEU Chi-restraints excluded: chain C residue 2458 ARG Chi-restraints excluded: chain C residue 2460 LEU Chi-restraints excluded: chain C residue 2752 ASP Chi-restraints excluded: chain C residue 2762 THR Chi-restraints excluded: chain C residue 2777 TYR Chi-restraints excluded: chain C residue 2779 GLU Chi-restraints excluded: chain C residue 2807 TRP Chi-restraints excluded: chain C residue 2809 ILE Chi-restraints excluded: chain C residue 2811 GLU Chi-restraints excluded: chain C residue 2872 GLN Chi-restraints excluded: chain C residue 2882 TYR Chi-restraints excluded: chain C residue 2883 HIS Chi-restraints excluded: chain C residue 2884 ASN Chi-restraints excluded: chain C residue 2892 GLN Chi-restraints excluded: chain C residue 2894 LEU Chi-restraints excluded: chain C residue 2895 GLU Chi-restraints excluded: chain C residue 2904 LEU Chi-restraints excluded: chain C residue 2928 LYS Chi-restraints excluded: chain C residue 2937 VAL Chi-restraints excluded: chain C residue 2938 THR Chi-restraints excluded: chain C residue 3642 TYR Chi-restraints excluded: chain C residue 3647 HIS Chi-restraints excluded: chain C residue 3648 ARG Chi-restraints excluded: chain C residue 3656 SER Chi-restraints excluded: chain C residue 3657 TYR Chi-restraints excluded: chain C residue 3658 LYS Chi-restraints excluded: chain C residue 3661 TRP Chi-restraints excluded: chain C residue 3663 LEU Chi-restraints excluded: chain C residue 3669 PHE Chi-restraints excluded: chain C residue 3671 ASP Chi-restraints excluded: chain C residue 3674 ILE Chi-restraints excluded: chain C residue 3678 SER Chi-restraints excluded: chain C residue 3696 ASP Chi-restraints excluded: chain C residue 3703 LEU Chi-restraints excluded: chain C residue 3708 THR Chi-restraints excluded: chain C residue 3710 LEU Chi-restraints excluded: chain C residue 3711 THR Chi-restraints excluded: chain C residue 3712 GLU Chi-restraints excluded: chain C residue 3727 ASP Chi-restraints excluded: chain C residue 3733 CYS Chi-restraints excluded: chain C residue 3751 VAL Chi-restraints excluded: chain C residue 3753 PHE Chi-restraints excluded: chain C residue 3761 GLN Chi-restraints excluded: chain C residue 3764 LEU Chi-restraints excluded: chain C residue 3790 THR Chi-restraints excluded: chain C residue 3794 VAL Chi-restraints excluded: chain C residue 3803 SER Chi-restraints excluded: chain C residue 3804 ILE Chi-restraints excluded: chain C residue 3805 LEU Chi-restraints excluded: chain C residue 3809 ASN Chi-restraints excluded: chain C residue 3822 ASP Chi-restraints excluded: chain C residue 3825 GLU Chi-restraints excluded: chain C residue 3830 GLN Chi-restraints excluded: chain C residue 3835 LEU Chi-restraints excluded: chain C residue 3836 MET Chi-restraints excluded: chain C residue 3838 THR Chi-restraints excluded: chain C residue 3886 ARG Chi-restraints excluded: chain C residue 3890 LEU Chi-restraints excluded: chain C residue 3892 CYS Chi-restraints excluded: chain C residue 3899 PHE Chi-restraints excluded: chain C residue 3905 THR Chi-restraints excluded: chain C residue 3907 THR Chi-restraints excluded: chain C residue 3910 THR Chi-restraints excluded: chain C residue 3911 THR Chi-restraints excluded: chain C residue 3913 ILE Chi-restraints excluded: chain C residue 3919 THR Chi-restraints excluded: chain C residue 3920 VAL Chi-restraints excluded: chain C residue 3930 ILE Chi-restraints excluded: chain C residue 3938 SER Chi-restraints excluded: chain C residue 3950 ASN Chi-restraints excluded: chain C residue 3952 SER Chi-restraints excluded: chain C residue 3964 SER Chi-restraints excluded: chain C residue 3966 THR Chi-restraints excluded: chain C residue 3973 CYS Chi-restraints excluded: chain C residue 3974 THR Chi-restraints excluded: chain C residue 3979 SER Chi-restraints excluded: chain C residue 3980 LEU Chi-restraints excluded: chain C residue 4001 MET Chi-restraints excluded: chain C residue 4019 LEU Chi-restraints excluded: chain C residue 4021 LYS Chi-restraints excluded: chain C residue 4040 ILE Chi-restraints excluded: chain C residue 4054 ASN Chi-restraints excluded: chain C residue 4066 LEU Chi-restraints excluded: chain C residue 4071 ILE Chi-restraints excluded: chain C residue 4072 VAL Chi-restraints excluded: chain C residue 4081 VAL Chi-restraints excluded: chain C residue 4083 ASP Chi-restraints excluded: chain C residue 4088 ILE Chi-restraints excluded: chain C residue 4092 ASP Chi-restraints excluded: chain C residue 4097 MET Chi-restraints excluded: chain C residue 4098 ASP Chi-restraints excluded: chain C residue 4100 GLN Chi-restraints excluded: chain C residue 4104 THR Chi-restraints excluded: chain C residue 4108 ILE Chi-restraints excluded: chain C residue 4113 SER Chi-restraints excluded: chain C residue 4115 SER Chi-restraints excluded: chain C residue 4116 GLU Chi-restraints excluded: chain C residue 4118 ASP Chi-restraints excluded: chain C residue 4119 GLU Chi-restraints excluded: chain C residue 4123 ILE Chi-restraints excluded: chain C residue 4125 PHE Chi-restraints excluded: chain C residue 4132 PHE Chi-restraints excluded: chain C residue 4142 ASN Chi-restraints excluded: chain C residue 4161 ARG Chi-restraints excluded: chain C residue 4168 GLU Chi-restraints excluded: chain C residue 4170 ILE Chi-restraints excluded: chain C residue 4182 GLU Chi-restraints excluded: chain C residue 4197 ILE Chi-restraints excluded: chain C residue 4199 GLU Chi-restraints excluded: chain C residue 4205 TRP Chi-restraints excluded: chain C residue 4213 SER Chi-restraints excluded: chain C residue 4217 PHE Chi-restraints excluded: chain C residue 4221 VAL Chi-restraints excluded: chain C residue 4241 THR Chi-restraints excluded: chain C residue 4246 GLN Chi-restraints excluded: chain C residue 4251 ILE Chi-restraints excluded: chain C residue 4549 VAL Chi-restraints excluded: chain C residue 4552 LEU Chi-restraints excluded: chain C residue 4553 ASN Chi-restraints excluded: chain C residue 4561 THR Chi-restraints excluded: chain C residue 4562 LEU Chi-restraints excluded: chain C residue 4569 LEU Chi-restraints excluded: chain C residue 4573 ILE Chi-restraints excluded: chain C residue 4574 ASN Chi-restraints excluded: chain C residue 4580 TYR Chi-restraints excluded: chain C residue 4584 ASP Chi-restraints excluded: chain C residue 4628 VAL Chi-restraints excluded: chain C residue 4631 PHE Chi-restraints excluded: chain C residue 4634 GLU Chi-restraints excluded: chain C residue 4638 TYR Chi-restraints excluded: chain C residue 4639 MET Chi-restraints excluded: chain C residue 4648 LEU Chi-restraints excluded: chain C residue 4651 THR Chi-restraints excluded: chain C residue 4676 GLU Chi-restraints excluded: chain C residue 4688 ILE Chi-restraints excluded: chain C residue 4694 ASP Chi-restraints excluded: chain C residue 4695 ASP Chi-restraints excluded: chain C residue 4724 VAL Chi-restraints excluded: chain C residue 4728 HIS Chi-restraints excluded: chain C residue 4736 ARG Chi-restraints excluded: chain C residue 4743 MET Chi-restraints excluded: chain C residue 4744 ASP Chi-restraints excluded: chain C residue 4751 THR Chi-restraints excluded: chain C residue 4765 LEU Chi-restraints excluded: chain C residue 4768 LEU Chi-restraints excluded: chain C residue 4770 SER Chi-restraints excluded: chain C residue 4782 VAL Chi-restraints excluded: chain C residue 4788 SER Chi-restraints excluded: chain C residue 4797 VAL Chi-restraints excluded: chain C residue 4799 SER Chi-restraints excluded: chain C residue 4803 HIS Chi-restraints excluded: chain C residue 4804 TYR Chi-restraints excluded: chain C residue 4818 MET Chi-restraints excluded: chain C residue 4822 THR Chi-restraints excluded: chain C residue 4827 LEU Chi-restraints excluded: chain C residue 4828 SER Chi-restraints excluded: chain C residue 4831 THR Chi-restraints excluded: chain C residue 4840 THR Chi-restraints excluded: chain C residue 4852 THR Chi-restraints excluded: chain C residue 4856 PHE Chi-restraints excluded: chain C residue 4858 PHE Chi-restraints excluded: chain C residue 4861 LYS Chi-restraints excluded: chain C residue 4870 ASP Chi-restraints excluded: chain C residue 4873 ASP Chi-restraints excluded: chain C residue 4879 MET Chi-restraints excluded: chain C residue 4884 LEU Chi-restraints excluded: chain C residue 4887 MET Chi-restraints excluded: chain C residue 4888 TYR Chi-restraints excluded: chain C residue 4891 VAL Chi-restraints excluded: chain C residue 4892 ARG Chi-restraints excluded: chain C residue 4910 GLU Chi-restraints excluded: chain C residue 4913 ARG Chi-restraints excluded: chain C residue 4915 VAL Chi-restraints excluded: chain C residue 4917 ASP Chi-restraints excluded: chain C residue 4919 THR Chi-restraints excluded: chain C residue 4925 ILE Chi-restraints excluded: chain C residue 4928 LEU Chi-restraints excluded: chain C residue 4937 ILE Chi-restraints excluded: chain C residue 4938 ASP Chi-restraints excluded: chain C residue 4943 LEU Chi-restraints excluded: chain C residue 4947 GLN Chi-restraints excluded: chain C residue 4950 VAL Chi-restraints excluded: chain C residue 4952 GLU Chi-restraints excluded: chain C residue 4953 ASP Chi-restraints excluded: chain C residue 4956 THR Chi-restraints excluded: chain C residue 4961 CYS Chi-restraints excluded: chain C residue 4963 ILE Chi-restraints excluded: chain C residue 4965 SER Chi-restraints excluded: chain C residue 4970 THR Chi-restraints excluded: chain C residue 4977 THR Chi-restraints excluded: chain C residue 4979 THR Chi-restraints excluded: chain C residue 4985 LEU Chi-restraints excluded: chain C residue 4997 ASN Chi-restraints excluded: chain C residue 5001 THR Chi-restraints excluded: chain C residue 5008 SER Chi-restraints excluded: chain C residue 5020 ASP Chi-restraints excluded: chain C residue 5021 PHE Chi-restraints excluded: chain C residue 5030 LYS Chi-restraints excluded: chain C residue 5034 ASP Chi-restraints excluded: chain C residue 5036 LEU Chi-restraints excluded: chain C residue 5037 SER Chi-restraints excluded: chain D residue 17 ASP Chi-restraints excluded: chain D residue 20 VAL Chi-restraints excluded: chain D residue 24 CYS Chi-restraints excluded: chain D residue 37 LEU Chi-restraints excluded: chain D residue 49 LEU Chi-restraints excluded: chain D residue 57 ASN Chi-restraints excluded: chain D residue 58 VAL Chi-restraints excluded: chain D residue 64 ILE Chi-restraints excluded: chain D residue 68 THR Chi-restraints excluded: chain D residue 69 LEU Chi-restraints excluded: chain D residue 74 SER Chi-restraints excluded: chain D residue 75 VAL Chi-restraints excluded: chain D residue 80 GLU Chi-restraints excluded: chain D residue 81 MET Chi-restraints excluded: chain D residue 107 ILE Chi-restraints excluded: chain D residue 109 LEU Chi-restraints excluded: chain D residue 114 SER Chi-restraints excluded: chain D residue 119 SER Chi-restraints excluded: chain D residue 131 LEU Chi-restraints excluded: chain D residue 144 GLU Chi-restraints excluded: chain D residue 149 THR Chi-restraints excluded: chain D residue 151 HIS Chi-restraints excluded: chain D residue 159 GLU Chi-restraints excluded: chain D residue 161 GLU Chi-restraints excluded: chain D residue 162 LYS Chi-restraints excluded: chain D residue 164 ARG Chi-restraints excluded: chain D residue 167 ASP Chi-restraints excluded: chain D residue 170 ILE Chi-restraints excluded: chain D residue 173 SER Chi-restraints excluded: chain D residue 177 GLU Chi-restraints excluded: chain D residue 192 ASP Chi-restraints excluded: chain D residue 206 CYS Chi-restraints excluded: chain D residue 210 GLU Chi-restraints excluded: chain D residue 211 GLU Chi-restraints excluded: chain D residue 215 THR Chi-restraints excluded: chain D residue 219 VAL Chi-restraints excluded: chain D residue 222 LEU Chi-restraints excluded: chain D residue 229 GLU Chi-restraints excluded: chain D residue 232 THR Chi-restraints excluded: chain D residue 258 SER Chi-restraints excluded: chain D residue 260 TRP Chi-restraints excluded: chain D residue 262 LEU Chi-restraints excluded: chain D residue 267 ILE 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 287 THR Chi-restraints excluded: chain D residue 299 LEU Chi-restraints excluded: chain D residue 300 VAL Chi-restraints excluded: chain D residue 302 VAL Chi-restraints excluded: chain D residue 303 ASP Chi-restraints excluded: chain D residue 312 THR Chi-restraints excluded: chain D residue 313 SER Chi-restraints excluded: chain D residue 315 CYS Chi-restraints excluded: chain D residue 320 LYS Chi-restraints excluded: chain D residue 345 LEU Chi-restraints excluded: chain D residue 348 VAL Chi-restraints excluded: chain D residue 357 LEU Chi-restraints excluded: chain D residue 359 TYR Chi-restraints excluded: chain D residue 373 LYS Chi-restraints excluded: chain D residue 381 GLU Chi-restraints excluded: chain D residue 389 PHE Chi-restraints excluded: chain D residue 396 GLU Chi-restraints excluded: chain D residue 407 THR Chi-restraints excluded: chain D residue 419 ASP Chi-restraints excluded: chain D residue 424 LYS Chi-restraints excluded: chain D residue 436 LEU Chi-restraints excluded: chain D residue 444 SER Chi-restraints excluded: chain D residue 453 GLU Chi-restraints excluded: chain D residue 455 PRO Chi-restraints excluded: chain D residue 459 LEU Chi-restraints excluded: chain D residue 470 SER Chi-restraints excluded: chain D residue 472 ARG Chi-restraints excluded: chain D residue 477 LEU Chi-restraints excluded: chain D residue 478 PHE Chi-restraints excluded: chain D residue 483 MET Chi-restraints excluded: chain D residue 487 VAL Chi-restraints excluded: chain D residue 488 LEU Chi-restraints excluded: chain D residue 497 TYR Chi-restraints excluded: chain D residue 499 THR Chi-restraints excluded: chain D residue 503 PHE Chi-restraints excluded: chain D residue 510 GLU Chi-restraints excluded: chain D residue 519 VAL Chi-restraints excluded: chain D residue 521 LEU Chi-restraints excluded: chain D residue 534 ARG Chi-restraints excluded: chain D residue 537 CYS Chi-restraints excluded: chain D residue 542 THR Chi-restraints excluded: chain D residue 549 SER Chi-restraints excluded: chain D residue 554 LEU Chi-restraints excluded: chain D residue 557 SER Chi-restraints excluded: chain D residue 566 CYS Chi-restraints excluded: chain D residue 578 ILE Chi-restraints excluded: chain D residue 581 ASN Chi-restraints excluded: chain D residue 587 ILE Chi-restraints excluded: chain D residue 600 LEU Chi-restraints excluded: chain D residue 608 VAL Chi-restraints excluded: chain D residue 612 VAL Chi-restraints excluded: chain D residue 614 VAL Chi-restraints excluded: chain D residue 616 SER Chi-restraints excluded: chain D residue 622 THR Chi-restraints excluded: chain D residue 634 GLN Chi-restraints excluded: chain D residue 637 LEU Chi-restraints excluded: chain D residue 641 VAL Chi-restraints excluded: chain D residue 643 SER Chi-restraints excluded: chain D residue 648 ILE Chi-restraints excluded: chain D residue 650 VAL Chi-restraints excluded: chain D residue 659 TYR Chi-restraints excluded: chain D residue 662 TRP Chi-restraints excluded: chain D residue 663 TYR Chi-restraints excluded: chain D residue 668 VAL Chi-restraints excluded: chain D residue 669 ASP Chi-restraints excluded: chain D residue 671 VAL Chi-restraints excluded: chain D residue 674 PHE Chi-restraints excluded: chain D residue 680 THR Chi-restraints excluded: chain D residue 684 VAL Chi-restraints excluded: chain D residue 700 GLU Chi-restraints excluded: chain D residue 707 VAL Chi-restraints excluded: chain D residue 710 ASP Chi-restraints excluded: chain D residue 719 LEU Chi-restraints excluded: chain D residue 720 HIS Chi-restraints excluded: chain D residue 723 THR Chi-restraints excluded: chain D residue 726 VAL Chi-restraints excluded: chain D residue 730 VAL Chi-restraints excluded: chain D residue 737 LEU Chi-restraints excluded: chain D residue 751 SER Chi-restraints excluded: chain D residue 752 VAL Chi-restraints excluded: chain D residue 754 SER Chi-restraints excluded: chain D residue 759 ILE Chi-restraints excluded: chain D residue 776 LEU Chi-restraints excluded: chain D residue 780 VAL Chi-restraints excluded: chain D residue 784 SER Chi-restraints excluded: chain D residue 791 PHE Chi-restraints excluded: chain D residue 793 LEU Chi-restraints excluded: chain D residue 800 PHE Chi-restraints excluded: chain D residue 803 LEU Chi-restraints excluded: chain D residue 812 HIS Chi-restraints excluded: chain D residue 831 ARG Chi-restraints excluded: chain D residue 840 VAL Chi-restraints excluded: chain D residue 850 ASP Chi-restraints excluded: chain D residue 859 VAL Chi-restraints excluded: chain D residue 866 HIS Chi-restraints excluded: chain D residue 867 LEU Chi-restraints excluded: chain D residue 868 GLU Chi-restraints excluded: chain D residue 869 ARG Chi-restraints excluded: chain D residue 870 ILE Chi-restraints excluded: chain D residue 887 ILE Chi-restraints excluded: chain D residue 891 TRP Chi-restraints excluded: chain D residue 907 LEU Chi-restraints excluded: chain D residue 931 THR Chi-restraints excluded: chain D residue 944 GLU Chi-restraints excluded: chain D residue 972 LEU Chi-restraints excluded: chain D residue 974 HIS Chi-restraints excluded: chain D residue 1044 ARG Chi-restraints excluded: chain D residue 1046 LEU Chi-restraints excluded: chain D residue 1047 LEU Chi-restraints excluded: chain D residue 1079 LYS Chi-restraints excluded: chain D residue 1080 SER Chi-restraints excluded: chain D residue 1082 THR Chi-restraints excluded: chain D residue 1083 VAL Chi-restraints excluded: chain D residue 1102 VAL Chi-restraints excluded: chain D residue 1110 ARG Chi-restraints excluded: chain D residue 1112 ASP Chi-restraints excluded: chain D residue 1113 VAL Chi-restraints excluded: chain D residue 1114 GLU Chi-restraints excluded: chain D residue 1120 LEU Chi-restraints excluded: chain D residue 1133 HIS Chi-restraints excluded: chain D residue 1139 PHE Chi-restraints excluded: chain D residue 1141 ARG Chi-restraints excluded: chain D residue 1148 VAL Chi-restraints excluded: chain D residue 1149 VAL 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 1159 THR Chi-restraints excluded: chain D residue 1164 LEU Chi-restraints excluded: chain D residue 1176 GLU Chi-restraints excluded: chain D residue 1179 PHE Chi-restraints excluded: chain D residue 1184 ILE Chi-restraints excluded: chain D residue 1191 VAL Chi-restraints excluded: chain D residue 1193 SER Chi-restraints excluded: chain D residue 1198 GLN Chi-restraints excluded: chain D residue 1201 HIS 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 1210 SER Chi-restraints excluded: chain D residue 1214 PHE Chi-restraints excluded: chain D residue 1230 MET Chi-restraints excluded: chain D residue 1234 VAL Chi-restraints excluded: chain D residue 1235 THR Chi-restraints excluded: chain D residue 1238 PHE Chi-restraints excluded: chain D residue 1240 LYS Chi-restraints excluded: chain D residue 1242 LEU Chi-restraints excluded: chain D residue 1255 TYR Chi-restraints excluded: chain D residue 1260 MET Chi-restraints excluded: chain D residue 1266 THR Chi-restraints excluded: chain D residue 1274 HIS Chi-restraints excluded: chain D residue 1574 PRO 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 1608 MET Chi-restraints excluded: chain D residue 1612 PHE Chi-restraints excluded: chain D residue 1630 CYS Chi-restraints excluded: chain D residue 1635 THR Chi-restraints excluded: chain D residue 1637 MET Chi-restraints excluded: chain D residue 1639 LEU Chi-restraints excluded: chain D residue 1645 ASN Chi-restraints excluded: chain D residue 1647 CYS Chi-restraints excluded: chain D residue 1648 MET Chi-restraints excluded: chain D residue 1653 LEU Chi-restraints excluded: chain D residue 1655 GLU Chi-restraints excluded: chain D residue 1657 LEU Chi-restraints excluded: chain D residue 1664 SER Chi-restraints excluded: chain D residue 1666 THR Chi-restraints excluded: chain D residue 1681 VAL Chi-restraints excluded: chain D residue 1687 SER Chi-restraints excluded: chain D residue 1695 LEU Chi-restraints excluded: chain D residue 1700 ASP Chi-restraints excluded: chain D residue 1702 HIS Chi-restraints excluded: chain D residue 1703 LEU Chi-restraints excluded: chain D residue 1706 PRO Chi-restraints excluded: chain D residue 1716 ILE Chi-restraints excluded: chain D residue 1717 SER Chi-restraints excluded: chain D residue 1721 GLU Chi-restraints excluded: chain D residue 1730 MET Chi-restraints excluded: chain D residue 1731 LEU Chi-restraints excluded: chain D residue 1734 TYR Chi-restraints excluded: chain D residue 1736 VAL Chi-restraints excluded: chain D residue 1739 THR Chi-restraints excluded: chain D residue 1742 THR Chi-restraints excluded: chain D residue 1743 ARG Chi-restraints excluded: chain D residue 1762 LEU Chi-restraints excluded: chain D residue 1767 VAL Chi-restraints excluded: chain D residue 1769 THR Chi-restraints excluded: chain D residue 1770 SER Chi-restraints excluded: chain D residue 1778 SER Chi-restraints excluded: chain D residue 1781 CYS Chi-restraints excluded: chain D residue 1802 ILE Chi-restraints excluded: chain D residue 1808 ARG Chi-restraints excluded: chain D residue 1830 VAL Chi-restraints excluded: chain D residue 1833 SER Chi-restraints excluded: chain D residue 1845 VAL Chi-restraints excluded: chain D residue 1847 THR Chi-restraints excluded: chain D residue 1850 VAL Chi-restraints excluded: chain D residue 1853 ILE Chi-restraints excluded: chain D residue 1935 VAL Chi-restraints excluded: chain D residue 1947 CYS Chi-restraints excluded: chain D residue 1953 HIS Chi-restraints excluded: chain D residue 1955 VAL Chi-restraints excluded: chain D residue 1966 VAL Chi-restraints excluded: chain D residue 1969 LEU Chi-restraints excluded: chain D residue 1980 LEU Chi-restraints excluded: chain D residue 2006 ILE Chi-restraints excluded: chain D residue 2010 LEU Chi-restraints excluded: chain D residue 2011 HIS Chi-restraints excluded: chain D residue 2041 HIS Chi-restraints excluded: chain D residue 2097 LEU Chi-restraints excluded: chain D residue 2098 VAL Chi-restraints excluded: chain D residue 2099 SER Chi-restraints excluded: chain D residue 2103 VAL Chi-restraints excluded: chain D residue 2117 VAL Chi-restraints excluded: chain D residue 2122 SER Chi-restraints excluded: chain D residue 2126 ARG Chi-restraints excluded: chain D residue 2140 ARG Chi-restraints excluded: chain D residue 2148 SER Chi-restraints excluded: chain D residue 2152 THR Chi-restraints excluded: chain D residue 2162 ILE Chi-restraints excluded: chain D residue 2164 SER Chi-restraints excluded: chain D residue 2166 LEU Chi-restraints excluded: chain D residue 2167 ILE Chi-restraints excluded: chain D residue 2172 PRO Chi-restraints excluded: chain D residue 2187 ASN Chi-restraints excluded: chain D residue 2191 PHE Chi-restraints excluded: chain D residue 2192 TYR Chi-restraints excluded: chain D residue 2194 HIS Chi-restraints excluded: chain D residue 2210 VAL Chi-restraints excluded: chain D residue 2215 LEU Chi-restraints excluded: chain D residue 2223 ILE Chi-restraints excluded: chain D residue 2229 VAL Chi-restraints excluded: chain D residue 2240 CYS Chi-restraints excluded: chain D residue 2245 GLN Chi-restraints excluded: chain D residue 2246 ASN Chi-restraints excluded: chain D residue 2249 SER Chi-restraints excluded: chain D residue 2253 HIS Chi-restraints excluded: chain D residue 2273 LEU Chi-restraints excluded: chain D residue 2274 ASP Chi-restraints excluded: chain D residue 2279 SER Chi-restraints excluded: chain D residue 2281 ILE Chi-restraints excluded: chain D residue 2286 LEU Chi-restraints excluded: chain D residue 2291 GLN Chi-restraints excluded: chain D residue 2299 VAL Chi-restraints excluded: chain D residue 2300 SER Chi-restraints excluded: chain D residue 2301 TYR Chi-restraints excluded: chain D residue 2302 LEU Chi-restraints excluded: chain D residue 2319 PRO Chi-restraints excluded: chain D residue 2341 VAL Chi-restraints excluded: chain D residue 2364 PHE Chi-restraints excluded: chain D residue 2418 LEU Chi-restraints excluded: chain D residue 2420 HIS Chi-restraints excluded: chain D residue 2438 PRO Chi-restraints excluded: chain D residue 2442 LEU Chi-restraints excluded: chain D residue 2451 LEU Chi-restraints excluded: chain D residue 2456 ILE Chi-restraints excluded: chain D residue 2457 LEU Chi-restraints excluded: chain D residue 2458 ARG Chi-restraints excluded: chain D residue 2460 LEU Chi-restraints excluded: chain D residue 2742 THR Chi-restraints excluded: chain D residue 2752 ASP Chi-restraints excluded: chain D residue 2762 THR Chi-restraints excluded: chain D residue 2777 TYR Chi-restraints excluded: chain D residue 2779 GLU Chi-restraints excluded: chain D residue 2807 TRP Chi-restraints excluded: chain D residue 2809 ILE Chi-restraints excluded: chain D residue 2811 GLU Chi-restraints excluded: chain D residue 2882 TYR Chi-restraints excluded: chain D residue 2883 HIS Chi-restraints excluded: chain D residue 2892 GLN Chi-restraints excluded: chain D residue 2894 LEU Chi-restraints excluded: chain D residue 2895 GLU Chi-restraints excluded: chain D residue 2901 THR Chi-restraints excluded: chain D residue 2928 LYS Chi-restraints excluded: chain D residue 2937 VAL Chi-restraints excluded: chain D residue 2938 THR Chi-restraints excluded: chain D residue 3642 TYR Chi-restraints excluded: chain D residue 3647 HIS Chi-restraints excluded: chain D residue 3648 ARG Chi-restraints excluded: chain D residue 3656 SER Chi-restraints excluded: chain D residue 3657 TYR Chi-restraints excluded: chain D residue 3658 LYS Chi-restraints excluded: chain D residue 3661 TRP Chi-restraints excluded: chain D residue 3663 LEU Chi-restraints excluded: chain D residue 3669 PHE Chi-restraints excluded: chain D residue 3671 ASP Chi-restraints excluded: chain D residue 3674 ILE Chi-restraints excluded: chain D residue 3678 SER Chi-restraints excluded: chain D residue 3696 ASP Chi-restraints excluded: chain D residue 3703 LEU Chi-restraints excluded: chain D residue 3708 THR Chi-restraints excluded: chain D residue 3710 LEU Chi-restraints excluded: chain D residue 3711 THR Chi-restraints excluded: chain D residue 3712 GLU Chi-restraints excluded: chain D residue 3727 ASP Chi-restraints excluded: chain D residue 3733 CYS Chi-restraints excluded: chain D residue 3751 VAL Chi-restraints excluded: chain D residue 3753 PHE Chi-restraints excluded: chain D residue 3761 GLN Chi-restraints excluded: chain D residue 3764 LEU Chi-restraints excluded: chain D residue 3790 THR Chi-restraints excluded: chain D residue 3803 SER Chi-restraints excluded: chain D residue 3804 ILE Chi-restraints excluded: chain D residue 3805 LEU Chi-restraints excluded: chain D residue 3809 ASN Chi-restraints excluded: chain D residue 3822 ASP Chi-restraints excluded: chain D residue 3825 GLU Chi-restraints excluded: chain D residue 3835 LEU Chi-restraints excluded: chain D residue 3836 MET Chi-restraints excluded: chain D residue 3838 THR Chi-restraints excluded: chain D residue 3886 ARG Chi-restraints excluded: chain D residue 3890 LEU Chi-restraints excluded: chain D residue 3899 PHE Chi-restraints excluded: chain D residue 3905 THR Chi-restraints excluded: chain D residue 3907 THR Chi-restraints excluded: chain D residue 3910 THR Chi-restraints excluded: chain D residue 3911 THR Chi-restraints excluded: chain D residue 3913 ILE Chi-restraints excluded: chain D residue 3919 THR Chi-restraints excluded: chain D residue 3920 VAL Chi-restraints excluded: chain D residue 3930 ILE Chi-restraints excluded: chain D residue 3938 SER Chi-restraints excluded: chain D residue 3950 ASN Chi-restraints excluded: chain D residue 3952 SER Chi-restraints excluded: chain D residue 3964 SER Chi-restraints excluded: chain D residue 3966 THR Chi-restraints excluded: chain D residue 3973 CYS Chi-restraints excluded: chain D residue 3974 THR Chi-restraints excluded: chain D residue 3979 SER Chi-restraints excluded: chain D residue 4001 MET Chi-restraints excluded: chain D residue 4019 LEU Chi-restraints excluded: chain D residue 4021 LYS Chi-restraints excluded: chain D residue 4045 VAL Chi-restraints excluded: chain D residue 4054 ASN Chi-restraints excluded: chain D residue 4066 LEU Chi-restraints excluded: chain D residue 4071 ILE Chi-restraints excluded: chain D residue 4072 VAL Chi-restraints excluded: chain D residue 4081 VAL Chi-restraints excluded: chain D residue 4083 ASP Chi-restraints excluded: chain D residue 4088 ILE Chi-restraints excluded: chain D residue 4092 ASP Chi-restraints excluded: chain D residue 4097 MET Chi-restraints excluded: chain D residue 4098 ASP Chi-restraints excluded: chain D residue 4100 GLN Chi-restraints excluded: chain D residue 4104 THR Chi-restraints excluded: chain D residue 4108 ILE Chi-restraints excluded: chain D residue 4113 SER Chi-restraints excluded: chain D residue 4115 SER Chi-restraints excluded: chain D residue 4116 GLU Chi-restraints excluded: chain D residue 4118 ASP Chi-restraints excluded: chain D residue 4119 GLU Chi-restraints excluded: chain D residue 4123 ILE Chi-restraints excluded: chain D residue 4125 PHE Chi-restraints excluded: chain D residue 4132 PHE Chi-restraints excluded: chain D residue 4142 ASN Chi-restraints excluded: chain D residue 4161 ARG Chi-restraints excluded: chain D residue 4166 LEU Chi-restraints excluded: chain D residue 4168 GLU Chi-restraints excluded: chain D residue 4170 ILE Chi-restraints excluded: chain D residue 4182 GLU Chi-restraints excluded: chain D residue 4184 MET Chi-restraints excluded: chain D residue 4187 SER Chi-restraints excluded: chain D residue 4192 ARG Chi-restraints excluded: chain D residue 4197 ILE Chi-restraints excluded: chain D residue 4199 GLU Chi-restraints excluded: chain D residue 4205 TRP Chi-restraints excluded: chain D residue 4213 SER Chi-restraints excluded: chain D residue 4217 PHE Chi-restraints excluded: chain D residue 4221 VAL Chi-restraints excluded: chain D residue 4241 THR Chi-restraints excluded: chain D residue 4246 GLN Chi-restraints excluded: chain D residue 4251 ILE Chi-restraints excluded: chain D residue 4549 VAL Chi-restraints excluded: chain D residue 4552 LEU Chi-restraints excluded: chain D residue 4553 ASN Chi-restraints excluded: chain D residue 4561 THR Chi-restraints excluded: chain D residue 4562 LEU Chi-restraints excluded: chain D residue 4569 LEU Chi-restraints excluded: chain D residue 4573 ILE Chi-restraints excluded: chain D residue 4580 TYR Chi-restraints excluded: chain D residue 4584 ASP Chi-restraints excluded: chain D residue 4628 VAL Chi-restraints excluded: chain D residue 4631 PHE Chi-restraints excluded: chain D residue 4638 TYR Chi-restraints excluded: chain D residue 4639 MET Chi-restraints excluded: chain D residue 4648 LEU Chi-restraints excluded: chain D residue 4651 THR Chi-restraints excluded: chain D residue 4676 GLU Chi-restraints excluded: chain D residue 4682 GLU Chi-restraints excluded: chain D residue 4688 ILE Chi-restraints excluded: chain D residue 4694 ASP Chi-restraints excluded: chain D residue 4695 ASP Chi-restraints excluded: chain D residue 4724 VAL Chi-restraints excluded: chain D residue 4728 HIS Chi-restraints excluded: chain D residue 4736 ARG Chi-restraints excluded: chain D residue 4743 MET Chi-restraints excluded: chain D residue 4744 ASP Chi-restraints excluded: chain D residue 4751 THR Chi-restraints excluded: chain D residue 4765 LEU Chi-restraints excluded: chain D residue 4768 LEU Chi-restraints excluded: chain D residue 4770 SER Chi-restraints excluded: chain D residue 4782 VAL Chi-restraints excluded: chain D residue 4788 SER Chi-restraints excluded: chain D residue 4799 SER Chi-restraints excluded: chain D residue 4804 TYR Chi-restraints excluded: chain D residue 4816 ILE Chi-restraints excluded: chain D residue 4818 MET Chi-restraints excluded: chain D residue 4822 THR Chi-restraints excluded: chain D residue 4827 LEU Chi-restraints excluded: chain D residue 4828 SER Chi-restraints excluded: chain D residue 4831 THR Chi-restraints excluded: chain D residue 4840 THR Chi-restraints excluded: chain D residue 4852 THR Chi-restraints excluded: chain D residue 4856 PHE Chi-restraints excluded: chain D residue 4858 PHE Chi-restraints excluded: chain D residue 4861 LYS Chi-restraints excluded: chain D residue 4865 LYS Chi-restraints excluded: chain D residue 4870 ASP Chi-restraints excluded: chain D residue 4873 ASP Chi-restraints excluded: chain D residue 4876 CYS Chi-restraints excluded: chain D residue 4881 THR Chi-restraints excluded: chain D residue 4887 MET Chi-restraints excluded: chain D residue 4891 VAL Chi-restraints excluded: chain D residue 4901 ILE Chi-restraints excluded: chain D residue 4910 GLU Chi-restraints excluded: chain D residue 4915 VAL Chi-restraints excluded: chain D residue 4916 PHE Chi-restraints excluded: chain D residue 4917 ASP Chi-restraints excluded: chain D residue 4919 THR Chi-restraints excluded: chain D residue 4925 ILE Chi-restraints excluded: chain D residue 4928 LEU Chi-restraints excluded: chain D residue 4937 ILE Chi-restraints excluded: chain D residue 4938 ASP Chi-restraints excluded: chain D residue 4947 GLN Chi-restraints excluded: chain D residue 4950 VAL Chi-restraints excluded: chain D residue 4952 GLU Chi-restraints excluded: chain D residue 4953 ASP Chi-restraints excluded: chain D residue 4961 CYS Chi-restraints excluded: chain D residue 4963 ILE Chi-restraints excluded: chain D residue 4965 SER Chi-restraints excluded: chain D residue 4970 THR Chi-restraints excluded: chain D residue 4977 THR Chi-restraints excluded: chain D residue 4979 THR Chi-restraints excluded: chain D residue 4983 HIS Chi-restraints excluded: chain D residue 4985 LEU Chi-restraints excluded: chain D residue 4997 ASN Chi-restraints excluded: chain D residue 5001 THR Chi-restraints excluded: chain D residue 5008 SER Chi-restraints excluded: chain D residue 5018 CYS Chi-restraints excluded: chain D residue 5020 ASP Chi-restraints excluded: chain D residue 5021 PHE Chi-restraints excluded: chain D residue 5030 LYS Chi-restraints excluded: chain D residue 5034 ASP Chi-restraints excluded: chain D residue 5036 LEU Chi-restraints excluded: chain D residue 5037 SER Chi-restraints excluded: chain B residue 17 ASP Chi-restraints excluded: chain B residue 20 VAL Chi-restraints excluded: chain B residue 24 CYS Chi-restraints excluded: chain B residue 37 LEU Chi-restraints excluded: chain B residue 49 LEU Chi-restraints excluded: chain B residue 57 ASN Chi-restraints excluded: chain B residue 58 VAL Chi-restraints excluded: chain B residue 64 ILE Chi-restraints excluded: chain B residue 68 THR Chi-restraints excluded: chain B residue 74 SER Chi-restraints excluded: chain B residue 75 VAL Chi-restraints excluded: chain B residue 80 GLU Chi-restraints excluded: chain B residue 81 MET Chi-restraints excluded: chain B residue 107 ILE Chi-restraints excluded: chain B residue 109 LEU Chi-restraints excluded: chain B residue 111 HIS Chi-restraints excluded: chain B residue 114 SER Chi-restraints excluded: chain B residue 119 SER Chi-restraints excluded: chain B residue 131 LEU Chi-restraints excluded: chain B residue 134 ASP Chi-restraints excluded: chain B residue 144 GLU Chi-restraints excluded: chain B residue 149 THR Chi-restraints excluded: chain B residue 151 HIS Chi-restraints excluded: chain B residue 154 SER Chi-restraints excluded: chain B residue 159 GLU Chi-restraints excluded: chain B residue 161 GLU Chi-restraints excluded: chain B residue 164 ARG Chi-restraints excluded: chain B residue 167 ASP Chi-restraints excluded: chain B residue 170 ILE Chi-restraints excluded: chain B residue 173 SER Chi-restraints excluded: chain B residue 192 ASP Chi-restraints excluded: chain B residue 206 CYS Chi-restraints excluded: chain B residue 210 GLU Chi-restraints excluded: chain B residue 211 GLU Chi-restraints excluded: chain B residue 215 THR Chi-restraints excluded: chain B residue 219 VAL Chi-restraints excluded: chain B residue 222 LEU Chi-restraints excluded: chain B residue 229 GLU Chi-restraints excluded: chain B residue 232 THR Chi-restraints excluded: chain B residue 258 SER Chi-restraints excluded: chain B residue 260 TRP Chi-restraints excluded: chain B residue 262 LEU Chi-restraints excluded: chain B residue 267 ILE Chi-restraints excluded: chain B residue 276 TRP Chi-restraints excluded: chain B residue 281 ARG Chi-restraints excluded: chain B residue 283 ARG Chi-restraints excluded: chain B residue 285 VAL Chi-restraints excluded: chain B residue 286 THR Chi-restraints excluded: chain B residue 287 THR Chi-restraints excluded: chain B residue 299 LEU Chi-restraints excluded: chain B residue 300 VAL Chi-restraints excluded: chain B residue 302 VAL Chi-restraints excluded: chain B residue 303 ASP Chi-restraints excluded: chain B residue 312 THR Chi-restraints excluded: chain B residue 313 SER Chi-restraints excluded: chain B residue 320 LYS Chi-restraints excluded: chain B residue 334 MET Chi-restraints excluded: chain B residue 345 LEU Chi-restraints excluded: chain B residue 355 LEU Chi-restraints excluded: chain B residue 357 LEU Chi-restraints excluded: chain B residue 358 THR Chi-restraints excluded: chain B residue 359 TYR Chi-restraints excluded: chain B residue 373 LYS Chi-restraints excluded: chain B residue 381 GLU Chi-restraints excluded: chain B residue 386 ASP Chi-restraints excluded: chain B residue 388 LEU Chi-restraints excluded: chain B residue 389 PHE Chi-restraints excluded: chain B residue 396 GLU Chi-restraints excluded: chain B residue 405 HIS Chi-restraints excluded: chain B residue 419 ASP Chi-restraints excluded: chain B residue 424 LYS Chi-restraints excluded: chain B residue 436 LEU Chi-restraints excluded: chain B residue 444 SER Chi-restraints excluded: chain B residue 453 GLU Chi-restraints excluded: chain B residue 455 PRO Chi-restraints excluded: chain B residue 459 LEU Chi-restraints excluded: chain B residue 470 SER Chi-restraints excluded: chain B residue 472 ARG Chi-restraints excluded: chain B residue 477 LEU Chi-restraints excluded: chain B residue 478 PHE Chi-restraints excluded: chain B residue 483 MET Chi-restraints excluded: chain B residue 487 VAL Chi-restraints excluded: chain B residue 488 LEU Chi-restraints excluded: chain B residue 497 TYR Chi-restraints excluded: chain B residue 499 THR Chi-restraints excluded: chain B residue 503 PHE Chi-restraints excluded: chain B residue 510 GLU Chi-restraints excluded: chain B residue 514 SER Chi-restraints excluded: chain B residue 519 VAL Chi-restraints excluded: chain B residue 521 LEU Chi-restraints excluded: chain B residue 534 ARG Chi-restraints excluded: chain B residue 537 CYS Chi-restraints excluded: chain B residue 542 THR Chi-restraints excluded: chain B residue 549 SER Chi-restraints excluded: chain B residue 552 ASP Chi-restraints excluded: chain B residue 553 ARG Chi-restraints excluded: chain B residue 557 SER Chi-restraints excluded: chain B residue 566 CYS Chi-restraints excluded: chain B residue 578 ILE Chi-restraints excluded: chain B residue 581 ASN Chi-restraints excluded: chain B residue 587 ILE Chi-restraints excluded: chain B residue 600 LEU Chi-restraints excluded: chain B residue 608 VAL Chi-restraints excluded: chain B residue 612 VAL Chi-restraints excluded: chain B residue 614 VAL Chi-restraints excluded: chain B residue 616 SER Chi-restraints excluded: chain B residue 622 THR Chi-restraints excluded: chain B residue 634 GLN Chi-restraints excluded: chain B residue 637 LEU Chi-restraints excluded: chain B residue 641 VAL Chi-restraints excluded: chain B residue 643 SER Chi-restraints excluded: chain B residue 648 ILE Chi-restraints excluded: chain B residue 650 VAL Chi-restraints excluded: chain B residue 659 TYR Chi-restraints excluded: chain B residue 662 TRP Chi-restraints excluded: chain B residue 663 TYR Chi-restraints excluded: chain B residue 668 VAL Chi-restraints excluded: chain B residue 669 ASP Chi-restraints excluded: chain B residue 671 VAL Chi-restraints excluded: chain B residue 674 PHE Chi-restraints excluded: chain B residue 680 THR Chi-restraints excluded: chain B residue 684 VAL Chi-restraints excluded: chain B residue 700 GLU Chi-restraints excluded: chain B residue 707 VAL Chi-restraints excluded: chain B residue 710 ASP Chi-restraints excluded: chain B residue 719 LEU Chi-restraints excluded: chain B residue 720 HIS Chi-restraints excluded: chain B residue 723 THR 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 754 SER Chi-restraints excluded: chain B residue 759 ILE Chi-restraints excluded: chain B residue 776 LEU Chi-restraints excluded: chain B residue 780 VAL Chi-restraints excluded: chain B residue 784 SER Chi-restraints excluded: chain B residue 791 PHE Chi-restraints excluded: chain B residue 793 LEU Chi-restraints excluded: chain B residue 800 PHE Chi-restraints excluded: chain B residue 812 HIS Chi-restraints excluded: chain B residue 831 ARG Chi-restraints excluded: chain B residue 840 VAL Chi-restraints excluded: chain B residue 850 ASP Chi-restraints excluded: chain B residue 859 VAL Chi-restraints excluded: chain B residue 866 HIS Chi-restraints excluded: chain B residue 867 LEU Chi-restraints excluded: chain B residue 868 GLU Chi-restraints excluded: chain B residue 869 ARG Chi-restraints excluded: chain B residue 870 ILE Chi-restraints excluded: chain B residue 887 ILE Chi-restraints excluded: chain B residue 891 TRP Chi-restraints excluded: chain B residue 907 LEU Chi-restraints excluded: chain B residue 931 THR Chi-restraints excluded: chain B residue 944 GLU Chi-restraints excluded: chain B residue 972 LEU Chi-restraints excluded: chain B residue 974 HIS Chi-restraints excluded: chain B residue 1044 ARG Chi-restraints excluded: chain B residue 1046 LEU Chi-restraints excluded: chain B residue 1047 LEU Chi-restraints excluded: chain B residue 1076 ARG Chi-restraints excluded: chain B residue 1079 LYS Chi-restraints excluded: chain B residue 1080 SER Chi-restraints excluded: chain B residue 1082 THR Chi-restraints excluded: chain B residue 1083 VAL Chi-restraints excluded: chain B residue 1102 VAL Chi-restraints excluded: chain B residue 1110 ARG Chi-restraints excluded: chain B residue 1112 ASP Chi-restraints excluded: chain B residue 1113 VAL Chi-restraints excluded: chain B residue 1114 GLU Chi-restraints excluded: chain B residue 1120 LEU Chi-restraints excluded: chain B residue 1127 HIS Chi-restraints excluded: chain B residue 1133 HIS Chi-restraints excluded: chain B residue 1139 PHE Chi-restraints excluded: chain B residue 1141 ARG Chi-restraints excluded: chain B residue 1148 VAL Chi-restraints excluded: chain B residue 1149 VAL 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 1159 THR Chi-restraints excluded: chain B residue 1164 LEU Chi-restraints excluded: chain B residue 1176 GLU Chi-restraints excluded: chain B residue 1179 PHE Chi-restraints excluded: chain B residue 1184 ILE Chi-restraints excluded: chain B residue 1191 VAL Chi-restraints excluded: chain B residue 1193 SER Chi-restraints excluded: chain B residue 1198 GLN Chi-restraints excluded: chain B residue 1201 HIS 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 1210 SER Chi-restraints excluded: chain B residue 1214 PHE Chi-restraints excluded: chain B residue 1230 MET Chi-restraints excluded: chain B residue 1234 VAL Chi-restraints excluded: chain B residue 1235 THR Chi-restraints excluded: chain B residue 1238 PHE Chi-restraints excluded: chain B residue 1242 LEU Chi-restraints excluded: chain B residue 1252 HIS Chi-restraints excluded: chain B residue 1255 TYR Chi-restraints excluded: chain B residue 1260 MET Chi-restraints excluded: chain B residue 1266 THR Chi-restraints excluded: chain B residue 1274 HIS Chi-restraints excluded: chain B residue 1574 PRO 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 1608 MET Chi-restraints excluded: chain B residue 1612 PHE Chi-restraints excluded: chain B residue 1630 CYS Chi-restraints excluded: chain B residue 1635 THR Chi-restraints excluded: chain B residue 1637 MET Chi-restraints excluded: chain B residue 1639 LEU Chi-restraints excluded: chain B residue 1645 ASN Chi-restraints excluded: chain B residue 1647 CYS Chi-restraints excluded: chain B residue 1648 MET Chi-restraints excluded: chain B residue 1653 LEU Chi-restraints excluded: chain B residue 1655 GLU Chi-restraints excluded: chain B residue 1657 LEU Chi-restraints excluded: chain B residue 1664 SER Chi-restraints excluded: chain B residue 1666 THR Chi-restraints excluded: chain B residue 1681 VAL Chi-restraints excluded: chain B residue 1687 SER Chi-restraints excluded: chain B residue 1695 LEU Chi-restraints excluded: chain B residue 1700 ASP Chi-restraints excluded: chain B residue 1702 HIS Chi-restraints excluded: chain B residue 1703 LEU Chi-restraints excluded: chain B residue 1706 PRO Chi-restraints excluded: chain B residue 1716 ILE Chi-restraints excluded: chain B residue 1717 SER Chi-restraints excluded: chain B residue 1721 GLU Chi-restraints excluded: chain B residue 1730 MET Chi-restraints excluded: chain B residue 1731 LEU Chi-restraints excluded: chain B residue 1734 TYR Chi-restraints excluded: chain B residue 1736 VAL Chi-restraints excluded: chain B residue 1739 THR Chi-restraints excluded: chain B residue 1742 THR Chi-restraints excluded: chain B residue 1743 ARG Chi-restraints excluded: chain B residue 1762 LEU Chi-restraints excluded: chain B residue 1767 VAL Chi-restraints excluded: chain B residue 1768 THR Chi-restraints excluded: chain B residue 1769 THR Chi-restraints excluded: chain B residue 1771 LEU Chi-restraints excluded: chain B residue 1776 HIS Chi-restraints excluded: chain B residue 1798 LEU Chi-restraints excluded: chain B residue 1802 ILE Chi-restraints excluded: chain B residue 1830 VAL Chi-restraints excluded: chain B residue 1833 SER Chi-restraints excluded: chain B residue 1834 VAL Chi-restraints excluded: chain B residue 1845 VAL Chi-restraints excluded: chain B residue 1847 THR Chi-restraints excluded: chain B residue 1850 VAL Chi-restraints excluded: chain B residue 1853 ILE Chi-restraints excluded: chain B residue 1935 VAL Chi-restraints excluded: chain B residue 1937 LEU Chi-restraints excluded: chain B residue 1947 CYS Chi-restraints excluded: chain B residue 1953 HIS Chi-restraints excluded: chain B residue 1955 VAL Chi-restraints excluded: chain B residue 1958 LEU Chi-restraints excluded: chain B residue 1969 LEU Chi-restraints excluded: chain B residue 1980 LEU Chi-restraints excluded: chain B residue 2006 ILE Chi-restraints excluded: chain B residue 2010 LEU Chi-restraints excluded: chain B residue 2011 HIS Chi-restraints excluded: chain B residue 2041 HIS Chi-restraints excluded: chain B residue 2097 LEU Chi-restraints excluded: chain B residue 2098 VAL Chi-restraints excluded: chain B residue 2099 SER Chi-restraints excluded: chain B residue 2103 VAL Chi-restraints excluded: chain B residue 2117 VAL Chi-restraints excluded: chain B residue 2122 SER Chi-restraints excluded: chain B residue 2126 ARG Chi-restraints excluded: chain B residue 2140 ARG Chi-restraints excluded: chain B residue 2148 SER Chi-restraints excluded: chain B residue 2152 THR Chi-restraints excluded: chain B residue 2162 ILE Chi-restraints excluded: chain B residue 2164 SER Chi-restraints excluded: chain B residue 2166 LEU Chi-restraints excluded: chain B residue 2167 ILE Chi-restraints excluded: chain B residue 2172 PRO Chi-restraints excluded: chain B residue 2187 ASN Chi-restraints excluded: chain B residue 2191 PHE Chi-restraints excluded: chain B residue 2192 TYR Chi-restraints excluded: chain B residue 2194 HIS Chi-restraints excluded: chain B residue 2210 VAL Chi-restraints excluded: chain B residue 2215 LEU Chi-restraints excluded: chain B residue 2223 ILE Chi-restraints excluded: chain B residue 2229 VAL Chi-restraints excluded: chain B residue 2240 CYS Chi-restraints excluded: chain B residue 2245 GLN Chi-restraints excluded: chain B residue 2246 ASN Chi-restraints excluded: chain B residue 2249 SER Chi-restraints excluded: chain B residue 2253 HIS Chi-restraints excluded: chain B residue 2273 LEU Chi-restraints excluded: chain B residue 2274 ASP Chi-restraints excluded: chain B residue 2279 SER Chi-restraints excluded: chain B residue 2281 ILE Chi-restraints excluded: chain B residue 2286 LEU Chi-restraints excluded: chain B residue 2291 GLN Chi-restraints excluded: chain B residue 2299 VAL Chi-restraints excluded: chain B residue 2300 SER Chi-restraints excluded: chain B residue 2301 TYR Chi-restraints excluded: chain B residue 2302 LEU Chi-restraints excluded: chain B residue 2341 VAL Chi-restraints excluded: chain B residue 2364 PHE Chi-restraints excluded: chain B residue 2418 LEU Chi-restraints excluded: chain B residue 2420 HIS Chi-restraints excluded: chain B residue 2438 PRO Chi-restraints excluded: chain B residue 2442 LEU Chi-restraints excluded: chain B residue 2451 LEU Chi-restraints excluded: chain B residue 2456 ILE Chi-restraints excluded: chain B residue 2457 LEU Chi-restraints excluded: chain B residue 2458 ARG Chi-restraints excluded: chain B residue 2460 LEU Chi-restraints excluded: chain B residue 2752 ASP Chi-restraints excluded: chain B residue 2762 THR Chi-restraints excluded: chain B residue 2777 TYR Chi-restraints excluded: chain B residue 2779 GLU Chi-restraints excluded: chain B residue 2807 TRP Chi-restraints excluded: chain B residue 2809 ILE Chi-restraints excluded: chain B residue 2811 GLU Chi-restraints excluded: chain B residue 2869 ARG Chi-restraints excluded: chain B residue 2872 GLN Chi-restraints excluded: chain B residue 2882 TYR Chi-restraints excluded: chain B residue 2884 ASN Chi-restraints excluded: chain B residue 2892 GLN Chi-restraints excluded: chain B residue 2894 LEU Chi-restraints excluded: chain B residue 2895 GLU Chi-restraints excluded: chain B residue 2901 THR Chi-restraints excluded: chain B residue 2937 VAL Chi-restraints excluded: chain B residue 2938 THR Chi-restraints excluded: chain B residue 3642 TYR Chi-restraints excluded: chain B residue 3647 HIS Chi-restraints excluded: chain B residue 3648 ARG Chi-restraints excluded: chain B residue 3656 SER Chi-restraints excluded: chain B residue 3657 TYR Chi-restraints excluded: chain B residue 3658 LYS Chi-restraints excluded: chain B residue 3661 TRP Chi-restraints excluded: chain B residue 3663 LEU Chi-restraints excluded: chain B residue 3669 PHE Chi-restraints excluded: chain B residue 3673 MET Chi-restraints excluded: chain B residue 3674 ILE Chi-restraints excluded: chain B residue 3678 SER Chi-restraints excluded: chain B residue 3696 ASP Chi-restraints excluded: chain B residue 3703 LEU Chi-restraints excluded: chain B residue 3708 THR Chi-restraints excluded: chain B residue 3710 LEU Chi-restraints excluded: chain B residue 3711 THR Chi-restraints excluded: chain B residue 3712 GLU Chi-restraints excluded: chain B residue 3727 ASP Chi-restraints excluded: chain B residue 3733 CYS Chi-restraints excluded: chain B residue 3751 VAL Chi-restraints excluded: chain B residue 3753 PHE Chi-restraints excluded: chain B residue 3761 GLN Chi-restraints excluded: chain B residue 3764 LEU Chi-restraints excluded: chain B residue 3790 THR Chi-restraints excluded: chain B residue 3794 VAL Chi-restraints excluded: chain B residue 3803 SER Chi-restraints excluded: chain B residue 3804 ILE Chi-restraints excluded: chain B residue 3805 LEU Chi-restraints excluded: chain B residue 3809 ASN Chi-restraints excluded: chain B residue 3822 ASP Chi-restraints excluded: chain B residue 3825 GLU Chi-restraints excluded: chain B residue 3835 LEU Chi-restraints excluded: chain B residue 3836 MET Chi-restraints excluded: chain B residue 3838 THR Chi-restraints excluded: chain B residue 3886 ARG Chi-restraints excluded: chain B residue 3890 LEU Chi-restraints excluded: chain B residue 3892 CYS Chi-restraints excluded: chain B residue 3899 PHE Chi-restraints excluded: chain B residue 3905 THR Chi-restraints excluded: chain B residue 3907 THR Chi-restraints excluded: chain B residue 3910 THR Chi-restraints excluded: chain B residue 3911 THR Chi-restraints excluded: chain B residue 3913 ILE Chi-restraints excluded: chain B residue 3919 THR Chi-restraints excluded: chain B residue 3920 VAL Chi-restraints excluded: chain B residue 3930 ILE Chi-restraints excluded: chain B residue 3938 SER Chi-restraints excluded: chain B residue 3950 ASN Chi-restraints excluded: chain B residue 3952 SER Chi-restraints excluded: chain B residue 3964 SER Chi-restraints excluded: chain B residue 3966 THR Chi-restraints excluded: chain B residue 3973 CYS Chi-restraints excluded: chain B residue 3974 THR Chi-restraints excluded: chain B residue 3979 SER Chi-restraints excluded: chain B residue 4001 MET Chi-restraints excluded: chain B residue 4019 LEU Chi-restraints excluded: chain B residue 4021 LYS Chi-restraints excluded: chain B residue 4054 ASN Chi-restraints excluded: chain B residue 4064 MET Chi-restraints excluded: chain B residue 4071 ILE Chi-restraints excluded: chain B residue 4072 VAL Chi-restraints excluded: chain B residue 4081 VAL Chi-restraints excluded: chain B residue 4083 ASP Chi-restraints excluded: chain B residue 4088 ILE Chi-restraints excluded: chain B residue 4092 ASP Chi-restraints excluded: chain B residue 4097 MET Chi-restraints excluded: chain B residue 4098 ASP Chi-restraints excluded: chain B residue 4100 GLN Chi-restraints excluded: chain B residue 4104 THR Chi-restraints excluded: chain B residue 4108 ILE Chi-restraints excluded: chain B residue 4113 SER Chi-restraints excluded: chain B residue 4115 SER Chi-restraints excluded: chain B residue 4116 GLU Chi-restraints excluded: chain B residue 4118 ASP Chi-restraints excluded: chain B residue 4119 GLU Chi-restraints excluded: chain B residue 4123 ILE Chi-restraints excluded: chain B residue 4125 PHE Chi-restraints excluded: chain B residue 4132 PHE Chi-restraints excluded: chain B residue 4142 ASN Chi-restraints excluded: chain B residue 4161 ARG Chi-restraints excluded: chain B residue 4168 GLU Chi-restraints excluded: chain B residue 4170 ILE Chi-restraints excluded: chain B residue 4180 ARG Chi-restraints excluded: chain B residue 4187 SER Chi-restraints excluded: chain B residue 4197 ILE Chi-restraints excluded: chain B residue 4199 GLU Chi-restraints excluded: chain B residue 4205 TRP Chi-restraints excluded: chain B residue 4213 SER Chi-restraints excluded: chain B residue 4217 PHE Chi-restraints excluded: chain B residue 4221 VAL Chi-restraints excluded: chain B residue 4241 THR Chi-restraints excluded: chain B residue 4246 GLN Chi-restraints excluded: chain B residue 4251 ILE Chi-restraints excluded: chain B residue 4549 VAL Chi-restraints excluded: chain B residue 4552 LEU Chi-restraints excluded: chain B residue 4553 ASN Chi-restraints excluded: chain B residue 4561 THR Chi-restraints excluded: chain B residue 4562 LEU Chi-restraints excluded: chain B residue 4569 LEU Chi-restraints excluded: chain B residue 4573 ILE Chi-restraints excluded: chain B residue 4580 TYR Chi-restraints excluded: chain B residue 4584 ASP Chi-restraints excluded: chain B residue 4628 VAL Chi-restraints excluded: chain B residue 4631 PHE Chi-restraints excluded: chain B residue 4638 TYR Chi-restraints excluded: chain B residue 4639 MET Chi-restraints excluded: chain B residue 4648 LEU Chi-restraints excluded: chain B residue 4651 THR Chi-restraints excluded: chain B residue 4676 GLU Chi-restraints excluded: chain B residue 4677 LEU Chi-restraints excluded: chain B residue 4688 ILE Chi-restraints excluded: chain B residue 4694 ASP Chi-restraints excluded: chain B residue 4695 ASP Chi-restraints excluded: chain B residue 4724 VAL Chi-restraints excluded: chain B residue 4728 HIS Chi-restraints excluded: chain B residue 4736 ARG Chi-restraints excluded: chain B residue 4743 MET Chi-restraints excluded: chain B residue 4744 ASP Chi-restraints excluded: chain B residue 4751 THR Chi-restraints excluded: chain B residue 4765 LEU Chi-restraints excluded: chain B residue 4768 LEU Chi-restraints excluded: chain B residue 4770 SER Chi-restraints excluded: chain B residue 4782 VAL Chi-restraints excluded: chain B residue 4788 SER Chi-restraints excluded: chain B residue 4797 VAL Chi-restraints excluded: chain B residue 4803 HIS Chi-restraints excluded: chain B residue 4804 TYR Chi-restraints excluded: chain B residue 4818 MET Chi-restraints excluded: chain B residue 4822 THR Chi-restraints excluded: chain B residue 4827 LEU Chi-restraints excluded: chain B residue 4828 SER Chi-restraints excluded: chain B residue 4831 THR Chi-restraints excluded: chain B residue 4840 THR Chi-restraints excluded: chain B residue 4852 THR Chi-restraints excluded: chain B residue 4856 PHE Chi-restraints excluded: chain B residue 4858 PHE Chi-restraints excluded: chain B residue 4861 LYS Chi-restraints excluded: chain B residue 4865 LYS Chi-restraints excluded: chain B residue 4870 ASP Chi-restraints excluded: chain B residue 4873 ASP Chi-restraints excluded: chain B residue 4876 CYS Chi-restraints excluded: chain B residue 4879 MET Chi-restraints excluded: chain B residue 4881 THR Chi-restraints excluded: chain B residue 4887 MET Chi-restraints excluded: chain B residue 4888 TYR Chi-restraints excluded: chain B residue 4891 VAL Chi-restraints excluded: chain B residue 4910 GLU Chi-restraints excluded: chain B residue 4915 VAL Chi-restraints excluded: chain B residue 4917 ASP Chi-restraints excluded: chain B residue 4918 ILE Chi-restraints excluded: chain B residue 4919 THR Chi-restraints excluded: chain B residue 4925 ILE Chi-restraints excluded: chain B residue 4928 LEU Chi-restraints excluded: chain B residue 4947 GLN Chi-restraints excluded: chain B residue 4950 VAL Chi-restraints excluded: chain B residue 4952 GLU Chi-restraints excluded: chain B residue 4953 ASP Chi-restraints excluded: chain B residue 4956 THR Chi-restraints excluded: chain B residue 4961 CYS Chi-restraints excluded: chain B residue 4963 ILE Chi-restraints excluded: chain B residue 4965 SER Chi-restraints excluded: chain B residue 4970 THR Chi-restraints excluded: chain B residue 4977 THR Chi-restraints excluded: chain B residue 4979 THR Chi-restraints excluded: chain B residue 4985 LEU Chi-restraints excluded: chain B residue 4997 ASN Chi-restraints excluded: chain B residue 5001 THR Chi-restraints excluded: chain B residue 5008 SER Chi-restraints excluded: chain B residue 5020 ASP Chi-restraints excluded: chain B residue 5021 PHE Chi-restraints excluded: chain B residue 5034 ASP Chi-restraints excluded: chain B residue 5036 LEU Chi-restraints excluded: chain B residue 5037 SER Rotamers are restrained with sigma=3.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 0 random chunks: chunk None optimal weight: 6.9990 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 218 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 379 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 399 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A 536 ASN ** A 617 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 624 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 647 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 735 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 736 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 904 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 921 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 963 ASN ** A1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A1952 GLN ** A2112 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A2169 GLN ** A2194 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2772 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2883 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3830 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3946 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3998 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4162 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4553 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4714 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 218 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 379 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 399 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 520 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 536 ASN ** C 617 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 624 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 647 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 735 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 736 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 904 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 921 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 963 ASN ** C1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2112 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C2169 GLN ** C2194 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2772 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2883 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3830 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3946 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3998 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4162 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4553 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4714 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4803 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 218 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 379 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 399 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 520 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D 536 ASN ** D 624 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D 647 ASN ** D 735 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 736 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 904 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 921 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D1952 GLN ** D2112 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D2169 GLN ** D2194 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2772 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2883 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3781 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3830 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3946 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3998 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D4204 GLN ** D4553 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4714 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4803 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 218 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 399 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 520 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B 536 ASN ** B 624 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 647 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 735 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 736 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 904 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 921 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2112 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B2169 GLN B2184 ASN ** B2194 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2772 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3830 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3998 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4133 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4162 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4553 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4714 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4803 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 15 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8429 moved from start: 0.8358 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.055 0.438 119505 Z= 3.539 Angle : 3.079 37.261 162917 Z= 1.561 Chirality : 0.152 0.921 19033 Planarity : 0.021 0.371 21423 Dihedral : 14.071 131.225 17817 Min Nonbonded Distance : 1.088 Molprobity Statistics. All-atom Clashscore : 87.22 Ramachandran Plot: Outliers : 2.62 % Allowed : 36.14 % Favored : 61.24 % Rotamer: Outliers : 27.32 % Allowed : 24.38 % Favored : 48.30 % Cbeta Deviations : 0.58 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 5.59 % Twisted General : 3.16 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -7.12 (0.05), residues: 12808 helix: -4.57 (0.04), residues: 5496 sheet: -3.53 (0.14), residues: 1064 loop : -5.21 (0.05), residues: 6248 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.096 0.012 TRP D5011 HIS 0.044 0.007 HIS D4983 PHE 0.100 0.012 PHE B1238 TYR 0.111 0.011 TYR C 359 ARG 0.053 0.003 ARG B3773 *********************** REFINEMENT MACRO_CYCLE 5 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 25616 Ramachandran restraints generated. 12808 Oldfield, 0 Emsley, 12808 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 25616 Ramachandran restraints generated. 12808 Oldfield, 0 Emsley, 12808 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3282 residues out of total 11248 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2744 poor density : 538 time to evaluate : 8.788 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 69 LEU cc_start: 0.8973 (OUTLIER) cc_final: 0.8761 (pt) REVERT: A 115 ARG cc_start: 0.9071 (OUTLIER) cc_final: 0.8489 (mmm-85) REVERT: A 159 GLU cc_start: 0.8844 (OUTLIER) cc_final: 0.8424 (tm-30) REVERT: A 229 GLU cc_start: 0.7478 (OUTLIER) cc_final: 0.7109 (tt0) REVERT: A 243 ARG cc_start: 0.8541 (OUTLIER) cc_final: 0.7205 (mmm160) REVERT: A 275 ARG cc_start: 0.7963 (OUTLIER) cc_final: 0.7651 (mtm110) REVERT: A 276 TRP cc_start: 0.7224 (OUTLIER) cc_final: 0.6696 (m100) REVERT: A 283 ARG cc_start: 0.8051 (OUTLIER) cc_final: 0.7322 (ttm170) REVERT: A 419 ASP cc_start: 0.8578 (OUTLIER) cc_final: 0.8209 (m-30) REVERT: A 553 ARG cc_start: 0.8486 (tmt-80) cc_final: 0.8108 (tmt-80) REVERT: A 581 ASN cc_start: 0.7957 (OUTLIER) cc_final: 0.7658 (p0) REVERT: A 659 TYR cc_start: 0.5526 (OUTLIER) cc_final: 0.4711 (m-80) REVERT: A 662 TRP cc_start: 0.7466 (OUTLIER) cc_final: 0.6920 (m-10) REVERT: A 663 TYR cc_start: 0.6618 (OUTLIER) cc_final: 0.5975 (t80) REVERT: A 700 GLU cc_start: 0.7729 (OUTLIER) cc_final: 0.7393 (mp0) REVERT: A 796 ARG cc_start: 0.8204 (OUTLIER) cc_final: 0.7955 (ttp-170) REVERT: A 831 ARG cc_start: 0.8853 (OUTLIER) cc_final: 0.8504 (ptp-170) REVERT: A 869 ARG cc_start: 0.6308 (OUTLIER) cc_final: 0.5178 (ptt-90) REVERT: A 870 ILE cc_start: 0.6325 (OUTLIER) cc_final: 0.5425 (mm) REVERT: A 893 TYR cc_start: 0.5050 (OUTLIER) cc_final: 0.4066 (p90) REVERT: A 944 GLU cc_start: 0.2122 (OUTLIER) cc_final: 0.1731 (tt0) REVERT: A 1044 ARG cc_start: 0.3362 (OUTLIER) cc_final: 0.2491 (tpp80) REVERT: A 1110 ARG cc_start: 0.9063 (OUTLIER) cc_final: 0.8741 (ptp-110) REVERT: A 1133 HIS cc_start: 0.9372 (OUTLIER) cc_final: 0.8755 (t-170) REVERT: A 1141 ARG cc_start: 0.8853 (OUTLIER) cc_final: 0.8169 (ptm160) REVERT: A 1152 MET cc_start: 0.8661 (OUTLIER) cc_final: 0.8443 (mtm) REVERT: A 1202 LEU cc_start: 0.9380 (OUTLIER) cc_final: 0.8932 (tp) REVERT: A 1230 MET cc_start: 0.9086 (OUTLIER) cc_final: 0.8274 (mtt) REVERT: A 1242 LEU cc_start: 0.9302 (OUTLIER) cc_final: 0.9026 (mp) REVERT: A 1255 TYR cc_start: 0.8868 (OUTLIER) cc_final: 0.7497 (m-80) REVERT: A 1652 GLU cc_start: 0.9461 (OUTLIER) cc_final: 0.8929 (tm-30) REVERT: A 1653 LEU cc_start: 0.9519 (OUTLIER) cc_final: 0.9066 (mp) REVERT: A 1655 GLU cc_start: 0.8636 (OUTLIER) cc_final: 0.7797 (tm-30) REVERT: A 1656 ARG cc_start: 0.9330 (OUTLIER) cc_final: 0.9034 (mmm-85) REVERT: A 1703 LEU cc_start: 0.9529 (OUTLIER) cc_final: 0.9215 (mt) REVERT: A 1714 LEU cc_start: 0.9431 (OUTLIER) cc_final: 0.8904 (mp) REVERT: A 1813 ARG cc_start: 0.9230 (OUTLIER) cc_final: 0.8256 (ttp80) REVERT: A 1939 MET cc_start: 0.9075 (mmm) cc_final: 0.8798 (tpp) REVERT: A 1963 GLU cc_start: 0.8424 (OUTLIER) cc_final: 0.8150 (pp20) REVERT: A 1965 TYR cc_start: 0.8099 (OUTLIER) cc_final: 0.7599 (t80) REVERT: A 1973 GLN cc_start: 0.7797 (OUTLIER) cc_final: 0.7492 (tm-30) REVERT: A 2028 ARG cc_start: 0.8810 (OUTLIER) cc_final: 0.8602 (ptt180) REVERT: A 2126 ARG cc_start: 0.9443 (OUTLIER) cc_final: 0.9227 (mtp85) REVERT: A 2191 PHE cc_start: 0.9187 (OUTLIER) cc_final: 0.8384 (t80) REVERT: A 2245 GLN cc_start: 0.9494 (OUTLIER) cc_final: 0.8811 (mm-40) REVERT: A 2336 ARG cc_start: 0.8942 (OUTLIER) cc_final: 0.8548 (ttp-110) REVERT: A 2364 PHE cc_start: 0.7550 (OUTLIER) cc_final: 0.6630 (m-80) REVERT: A 2420 HIS cc_start: 0.8267 (OUTLIER) cc_final: 0.7898 (t70) REVERT: A 2458 ARG cc_start: 0.7800 (OUTLIER) cc_final: 0.7495 (tpt90) REVERT: A 2779 GLU cc_start: 0.1934 (OUTLIER) cc_final: 0.0623 (mt-10) REVERT: A 2799 GLU cc_start: -0.0067 (OUTLIER) cc_final: -0.0270 (tp30) REVERT: A 2811 GLU cc_start: 0.3844 (OUTLIER) cc_final: 0.3359 (tm-30) REVERT: A 2928 LYS cc_start: 0.2207 (OUTLIER) cc_final: 0.1977 (mtpt) REVERT: A 3642 TYR cc_start: 0.7792 (OUTLIER) cc_final: 0.6788 (p90) REVERT: A 3647 HIS cc_start: 0.8088 (OUTLIER) cc_final: 0.7464 (p90) REVERT: A 3658 LYS cc_start: 0.5488 (OUTLIER) cc_final: 0.4512 (tppt) REVERT: A 3710 LEU cc_start: 0.9361 (OUTLIER) cc_final: 0.9121 (tt) REVERT: A 3753 PHE cc_start: 0.8019 (OUTLIER) cc_final: 0.7680 (t80) REVERT: A 3805 LEU cc_start: 0.9636 (OUTLIER) cc_final: 0.9338 (pp) REVERT: A 3835 LEU cc_start: 0.9487 (OUTLIER) cc_final: 0.9201 (tt) REVERT: A 3886 ARG cc_start: 0.9380 (OUTLIER) cc_final: 0.8461 (tpt90) REVERT: A 4039 MET cc_start: 0.8299 (ppp) cc_final: 0.8037 (ppp) REVERT: A 4054 ASN cc_start: 0.9069 (OUTLIER) cc_final: 0.8512 (m-40) REVERT: A 4066 LEU cc_start: 0.9484 (OUTLIER) cc_final: 0.9182 (mp) REVERT: A 4071 ILE cc_start: 0.9330 (OUTLIER) cc_final: 0.9124 (tt) REVERT: A 4078 GLN cc_start: 0.9420 (OUTLIER) cc_final: 0.8645 (tm-30) REVERT: A 4097 MET cc_start: 0.9001 (OUTLIER) cc_final: 0.8486 (mpp) REVERT: A 4108 ILE cc_start: 0.9224 (OUTLIER) cc_final: 0.8978 (mm) REVERT: A 4125 PHE cc_start: 0.9160 (OUTLIER) cc_final: 0.8885 (p90) REVERT: A 4132 PHE cc_start: 0.8635 (OUTLIER) cc_final: 0.8190 (m-10) REVERT: A 4142 ASN cc_start: 0.9568 (OUTLIER) cc_final: 0.8951 (t0) REVERT: A 4205 TRP cc_start: 0.9573 (OUTLIER) cc_final: 0.9248 (t-100) REVERT: A 4562 LEU cc_start: 0.9192 (OUTLIER) cc_final: 0.8923 (tt) REVERT: A 4580 TYR cc_start: 0.9440 (OUTLIER) cc_final: 0.8247 (m-80) REVERT: A 4736 ARG cc_start: 0.9187 (OUTLIER) cc_final: 0.8427 (mtp85) REVERT: A 4796 MET cc_start: 0.9023 (tmm) cc_final: 0.8582 (tmm) REVERT: A 4803 HIS cc_start: 0.8693 (OUTLIER) cc_final: 0.8420 (m90) REVERT: A 4839 MET cc_start: 0.8807 (mmm) cc_final: 0.8573 (mmm) REVERT: A 4913 ARG cc_start: 0.8830 (OUTLIER) cc_final: 0.7934 (tpt90) REVERT: A 4953 ASP cc_start: 0.9004 (OUTLIER) cc_final: 0.8670 (t0) REVERT: A 4957 LYS cc_start: 0.8998 (OUTLIER) cc_final: 0.8734 (mmtp) REVERT: A 5020 ASP cc_start: 0.9417 (OUTLIER) cc_final: 0.9145 (m-30) REVERT: C 69 LEU cc_start: 0.8962 (OUTLIER) cc_final: 0.8743 (pt) REVERT: C 115 ARG cc_start: 0.9070 (OUTLIER) cc_final: 0.8487 (mmm-85) REVERT: C 159 GLU cc_start: 0.8664 (OUTLIER) cc_final: 0.8356 (tp30) REVERT: C 229 GLU cc_start: 0.7581 (OUTLIER) cc_final: 0.7241 (tt0) REVERT: C 243 ARG cc_start: 0.8541 (OUTLIER) cc_final: 0.7192 (mmm160) REVERT: C 260 TRP cc_start: 0.8908 (OUTLIER) cc_final: 0.7495 (m100) REVERT: C 275 ARG cc_start: 0.7927 (OUTLIER) cc_final: 0.7669 (mtm180) REVERT: C 276 TRP cc_start: 0.7264 (OUTLIER) cc_final: 0.6844 (m100) REVERT: C 405 HIS cc_start: 0.9011 (OUTLIER) cc_final: 0.8794 (t-90) REVERT: C 419 ASP cc_start: 0.8570 (OUTLIER) cc_final: 0.8173 (m-30) REVERT: C 581 ASN cc_start: 0.7960 (OUTLIER) cc_final: 0.7692 (p0) REVERT: C 629 ARG cc_start: 0.8956 (OUTLIER) cc_final: 0.8606 (mtp85) REVERT: C 659 TYR cc_start: 0.5521 (OUTLIER) cc_final: 0.4693 (m-80) REVERT: C 662 TRP cc_start: 0.7472 (OUTLIER) cc_final: 0.6930 (m-10) REVERT: C 663 TYR cc_start: 0.6622 (OUTLIER) cc_final: 0.5976 (t80) REVERT: C 700 GLU cc_start: 0.7723 (OUTLIER) cc_final: 0.7397 (mp0) REVERT: C 831 ARG cc_start: 0.8781 (OUTLIER) cc_final: 0.8433 (ptp-170) REVERT: C 869 ARG cc_start: 0.6300 (OUTLIER) cc_final: 0.5168 (ptt-90) REVERT: C 870 ILE cc_start: 0.6335 (OUTLIER) cc_final: 0.5430 (mm) REVERT: C 944 GLU cc_start: 0.2247 (OUTLIER) cc_final: 0.1872 (tt0) REVERT: C 1044 ARG cc_start: 0.3347 (OUTLIER) cc_final: 0.2478 (tpp80) REVERT: C 1110 ARG cc_start: 0.9069 (OUTLIER) cc_final: 0.8725 (ptp-110) REVERT: C 1133 HIS cc_start: 0.9378 (OUTLIER) cc_final: 0.8751 (t-170) REVERT: C 1141 ARG cc_start: 0.8837 (OUTLIER) cc_final: 0.8167 (ptm160) REVERT: C 1152 MET cc_start: 0.8654 (OUTLIER) cc_final: 0.8444 (mtm) REVERT: C 1202 LEU cc_start: 0.9337 (OUTLIER) cc_final: 0.8861 (tp) REVERT: C 1204 LEU cc_start: 0.9196 (OUTLIER) cc_final: 0.8930 (mm) REVERT: C 1230 MET cc_start: 0.9082 (OUTLIER) cc_final: 0.8262 (mtt) REVERT: C 1242 LEU cc_start: 0.9307 (OUTLIER) cc_final: 0.9033 (mp) REVERT: C 1255 TYR cc_start: 0.8851 (OUTLIER) cc_final: 0.7448 (m-80) REVERT: C 1630 CYS cc_start: 0.8392 (OUTLIER) cc_final: 0.7988 (p) REVERT: C 1652 GLU cc_start: 0.9464 (OUTLIER) cc_final: 0.8930 (tm-30) REVERT: C 1653 LEU cc_start: 0.9516 (OUTLIER) cc_final: 0.9055 (mp) REVERT: C 1655 GLU cc_start: 0.8705 (OUTLIER) cc_final: 0.7833 (tm-30) REVERT: C 1656 ARG cc_start: 0.9331 (OUTLIER) cc_final: 0.9034 (mmm-85) REVERT: C 1703 LEU cc_start: 0.9543 (OUTLIER) cc_final: 0.9230 (mt) REVERT: C 1714 LEU cc_start: 0.9432 (OUTLIER) cc_final: 0.8936 (mp) REVERT: C 1734 TYR cc_start: 0.9072 (OUTLIER) cc_final: 0.8828 (m-80) REVERT: C 1813 ARG cc_start: 0.9240 (OUTLIER) cc_final: 0.8329 (ttp80) REVERT: C 1939 MET cc_start: 0.9102 (mmm) cc_final: 0.8809 (tpp) REVERT: C 1963 GLU cc_start: 0.8425 (OUTLIER) cc_final: 0.8128 (pp20) REVERT: C 1973 GLN cc_start: 0.7774 (OUTLIER) cc_final: 0.7450 (tm-30) REVERT: C 2126 ARG cc_start: 0.9500 (OUTLIER) cc_final: 0.9241 (mtp85) REVERT: C 2191 PHE cc_start: 0.9152 (OUTLIER) cc_final: 0.8338 (t80) REVERT: C 2245 GLN cc_start: 0.9495 (OUTLIER) cc_final: 0.8815 (mm-40) REVERT: C 2336 ARG cc_start: 0.8939 (OUTLIER) cc_final: 0.8528 (ttp-110) REVERT: C 2364 PHE cc_start: 0.7549 (OUTLIER) cc_final: 0.6645 (m-80) REVERT: C 2420 HIS cc_start: 0.8285 (OUTLIER) cc_final: 0.7905 (t70) REVERT: C 2458 ARG cc_start: 0.7794 (OUTLIER) cc_final: 0.7500 (tpt90) REVERT: C 2777 TYR cc_start: -0.1640 (OUTLIER) cc_final: -0.2119 (m-80) REVERT: C 2779 GLU cc_start: 0.1916 (OUTLIER) cc_final: 0.0564 (mt-10) REVERT: C 2874 MET cc_start: 0.4293 (mpp) cc_final: 0.3832 (mpp) REVERT: C 3642 TYR cc_start: 0.7794 (OUTLIER) cc_final: 0.6782 (p90) REVERT: C 3647 HIS cc_start: 0.8109 (OUTLIER) cc_final: 0.7483 (p90) REVERT: C 3658 LYS cc_start: 0.5477 (OUTLIER) cc_final: 0.4418 (tppt) REVERT: C 3670 GLU cc_start: 0.8906 (OUTLIER) cc_final: 0.8633 (mt-10) REVERT: C 3753 PHE cc_start: 0.7949 (OUTLIER) cc_final: 0.7637 (t80) REVERT: C 3805 LEU cc_start: 0.9597 (OUTLIER) cc_final: 0.9274 (pp) REVERT: C 3835 LEU cc_start: 0.9482 (OUTLIER) cc_final: 0.9195 (tt) REVERT: C 3886 ARG cc_start: 0.9262 (OUTLIER) cc_final: 0.8284 (tpt90) REVERT: C 3980 LEU cc_start: 0.9727 (OUTLIER) cc_final: 0.9523 (tt) REVERT: C 4039 MET cc_start: 0.7938 (OUTLIER) cc_final: 0.7715 (ppp) REVERT: C 4054 ASN cc_start: 0.9047 (OUTLIER) cc_final: 0.8458 (m-40) REVERT: C 4066 LEU cc_start: 0.9460 (OUTLIER) cc_final: 0.9180 (mp) REVERT: C 4078 GLN cc_start: 0.9418 (OUTLIER) cc_final: 0.8644 (tm-30) REVERT: C 4097 MET cc_start: 0.8943 (OUTLIER) cc_final: 0.8462 (mpp) REVERT: C 4102 GLN cc_start: 0.8804 (OUTLIER) cc_final: 0.8367 (pt0) REVERT: C 4108 ILE cc_start: 0.9267 (OUTLIER) cc_final: 0.9030 (mm) REVERT: C 4125 PHE cc_start: 0.9136 (OUTLIER) cc_final: 0.8823 (p90) REVERT: C 4132 PHE cc_start: 0.8659 (OUTLIER) cc_final: 0.8210 (m-10) REVERT: C 4142 ASN cc_start: 0.9555 (OUTLIER) cc_final: 0.8959 (t0) REVERT: C 4205 TRP cc_start: 0.9577 (OUTLIER) cc_final: 0.9195 (t-100) REVERT: C 4562 LEU cc_start: 0.9192 (OUTLIER) cc_final: 0.8929 (tt) REVERT: C 4580 TYR cc_start: 0.9367 (OUTLIER) cc_final: 0.8138 (m-80) REVERT: C 4634 GLU cc_start: 0.5209 (OUTLIER) cc_final: 0.4927 (mm-30) REVERT: C 4736 ARG cc_start: 0.9204 (OUTLIER) cc_final: 0.8447 (mtp85) REVERT: C 4839 MET cc_start: 0.8817 (mmm) cc_final: 0.8590 (mmm) REVERT: C 4865 LYS cc_start: 0.7530 (OUTLIER) cc_final: 0.6258 (pttp) REVERT: C 4884 LEU cc_start: 0.8956 (OUTLIER) cc_final: 0.8730 (tt) REVERT: C 4892 ARG cc_start: 0.9215 (OUTLIER) cc_final: 0.7315 (ttp80) REVERT: C 4913 ARG cc_start: 0.8973 (OUTLIER) cc_final: 0.8032 (tpt90) REVERT: C 4953 ASP cc_start: 0.9013 (OUTLIER) cc_final: 0.8695 (t0) REVERT: C 5020 ASP cc_start: 0.9413 (OUTLIER) cc_final: 0.9125 (m-30) REVERT: D 69 LEU cc_start: 0.8991 (OUTLIER) cc_final: 0.8743 (pt) REVERT: D 159 GLU cc_start: 0.8826 (OUTLIER) cc_final: 0.8435 (tm-30) REVERT: D 177 GLU cc_start: 0.9315 (OUTLIER) cc_final: 0.8844 (mp0) REVERT: D 229 GLU cc_start: 0.7486 (OUTLIER) cc_final: 0.7139 (tt0) REVERT: D 243 ARG cc_start: 0.8535 (OUTLIER) cc_final: 0.7207 (mmm160) REVERT: D 275 ARG cc_start: 0.7937 (OUTLIER) cc_final: 0.7658 (mtm180) REVERT: D 276 TRP cc_start: 0.7206 (OUTLIER) cc_final: 0.6622 (m100) REVERT: D 419 ASP cc_start: 0.8592 (OUTLIER) cc_final: 0.8205 (m-30) REVERT: D 553 ARG cc_start: 0.8501 (tmt-80) cc_final: 0.8043 (tmt-80) REVERT: D 581 ASN cc_start: 0.8056 (OUTLIER) cc_final: 0.7788 (p0) REVERT: D 659 TYR cc_start: 0.5544 (OUTLIER) cc_final: 0.4685 (m-80) REVERT: D 662 TRP cc_start: 0.7433 (OUTLIER) cc_final: 0.6936 (m-10) REVERT: D 663 TYR cc_start: 0.6441 (OUTLIER) cc_final: 0.5933 (t80) REVERT: D 700 GLU cc_start: 0.7737 (OUTLIER) cc_final: 0.7395 (mp0) REVERT: D 796 ARG cc_start: 0.8196 (OUTLIER) cc_final: 0.7945 (ttp-170) REVERT: D 831 ARG cc_start: 0.8782 (OUTLIER) cc_final: 0.8461 (ptp-170) REVERT: D 869 ARG cc_start: 0.6309 (OUTLIER) cc_final: 0.5177 (ptt-90) REVERT: D 870 ILE cc_start: 0.6328 (OUTLIER) cc_final: 0.5425 (mm) REVERT: D 893 TYR cc_start: 0.5144 (OUTLIER) cc_final: 0.4376 (p90) REVERT: D 944 GLU cc_start: 0.2072 (OUTLIER) cc_final: 0.1692 (tt0) REVERT: D 1044 ARG cc_start: 0.3252 (OUTLIER) cc_final: 0.2375 (tpp80) REVERT: D 1110 ARG cc_start: 0.9154 (OUTLIER) cc_final: 0.8846 (ptp-110) REVERT: D 1133 HIS cc_start: 0.9369 (OUTLIER) cc_final: 0.8754 (t-170) REVERT: D 1141 ARG cc_start: 0.8839 (OUTLIER) cc_final: 0.8132 (ptm160) REVERT: D 1152 MET cc_start: 0.8655 (OUTLIER) cc_final: 0.8433 (mtm) REVERT: D 1202 LEU cc_start: 0.9340 (OUTLIER) cc_final: 0.8861 (tp) REVERT: D 1204 LEU cc_start: 0.9193 (OUTLIER) cc_final: 0.8934 (mm) REVERT: D 1242 LEU cc_start: 0.9320 (OUTLIER) cc_final: 0.9033 (mp) REVERT: D 1255 TYR cc_start: 0.8858 (OUTLIER) cc_final: 0.7461 (m-80) REVERT: D 1630 CYS cc_start: 0.8424 (OUTLIER) cc_final: 0.8041 (p) REVERT: D 1652 GLU cc_start: 0.9491 (OUTLIER) cc_final: 0.9095 (tm-30) REVERT: D 1655 GLU cc_start: 0.8896 (OUTLIER) cc_final: 0.7892 (tm-30) REVERT: D 1657 LEU cc_start: 0.9745 (OUTLIER) cc_final: 0.9413 (mm) REVERT: D 1703 LEU cc_start: 0.9523 (OUTLIER) cc_final: 0.9208 (mt) REVERT: D 1714 LEU cc_start: 0.9426 (OUTLIER) cc_final: 0.8925 (mp) REVERT: D 1734 TYR cc_start: 0.9073 (OUTLIER) cc_final: 0.8810 (m-80) REVERT: D 1813 ARG cc_start: 0.9219 (OUTLIER) cc_final: 0.8279 (ttp80) REVERT: D 1939 MET cc_start: 0.9074 (mmm) cc_final: 0.8800 (tpp) REVERT: D 1963 GLU cc_start: 0.8442 (OUTLIER) cc_final: 0.8139 (pp20) REVERT: D 1965 TYR cc_start: 0.8081 (OUTLIER) cc_final: 0.7597 (t80) REVERT: D 1973 GLN cc_start: 0.7782 (OUTLIER) cc_final: 0.7470 (tm-30) REVERT: D 2028 ARG cc_start: 0.8822 (OUTLIER) cc_final: 0.8593 (ptt180) REVERT: D 2126 ARG cc_start: 0.9499 (OUTLIER) cc_final: 0.9240 (mtp85) REVERT: D 2191 PHE cc_start: 0.9160 (OUTLIER) cc_final: 0.8357 (t80) REVERT: D 2245 GLN cc_start: 0.9503 (OUTLIER) cc_final: 0.8819 (mm-40) REVERT: D 2336 ARG cc_start: 0.8945 (OUTLIER) cc_final: 0.8544 (ttp-110) REVERT: D 2364 PHE cc_start: 0.7524 (OUTLIER) cc_final: 0.6629 (m-80) REVERT: D 2420 HIS cc_start: 0.8267 (OUTLIER) cc_final: 0.7894 (t70) REVERT: D 2458 ARG cc_start: 0.7809 (OUTLIER) cc_final: 0.7513 (tpt90) REVERT: D 2779 GLU cc_start: 0.1929 (OUTLIER) cc_final: 0.0632 (mt-10) REVERT: D 2886 TRP cc_start: 0.7779 (m-10) cc_final: 0.7568 (m100) REVERT: D 3642 TYR cc_start: 0.7781 (OUTLIER) cc_final: 0.6781 (p90) REVERT: D 3647 HIS cc_start: 0.8095 (OUTLIER) cc_final: 0.7487 (p90) REVERT: D 3669 PHE cc_start: 0.8816 (OUTLIER) cc_final: 0.8214 (p90) REVERT: D 3677 LEU cc_start: 0.9220 (OUTLIER) cc_final: 0.8989 (tt) REVERT: D 3712 GLU cc_start: 0.8942 (OUTLIER) cc_final: 0.8674 (pm20) REVERT: D 3753 PHE cc_start: 0.7994 (OUTLIER) cc_final: 0.7654 (t80) REVERT: D 3805 LEU cc_start: 0.9469 (OUTLIER) cc_final: 0.9177 (pp) REVERT: D 3835 LEU cc_start: 0.9480 (OUTLIER) cc_final: 0.9192 (tt) REVERT: D 3886 ARG cc_start: 0.9257 (OUTLIER) cc_final: 0.8271 (tpt90) REVERT: D 4054 ASN cc_start: 0.9064 (OUTLIER) cc_final: 0.8472 (m-40) REVERT: D 4066 LEU cc_start: 0.9469 (OUTLIER) cc_final: 0.9182 (mp) REVERT: D 4078 GLN cc_start: 0.9427 (OUTLIER) cc_final: 0.8643 (tm-30) REVERT: D 4097 MET cc_start: 0.8951 (OUTLIER) cc_final: 0.8536 (mpp) REVERT: D 4102 GLN cc_start: 0.8796 (OUTLIER) cc_final: 0.8349 (pt0) REVERT: D 4108 ILE cc_start: 0.9264 (OUTLIER) cc_final: 0.9026 (mm) REVERT: D 4125 PHE cc_start: 0.9140 (OUTLIER) cc_final: 0.8825 (p90) REVERT: D 4132 PHE cc_start: 0.8654 (OUTLIER) cc_final: 0.8195 (m-10) REVERT: D 4142 ASN cc_start: 0.9557 (OUTLIER) cc_final: 0.8961 (t0) REVERT: D 4192 ARG cc_start: 0.9529 (OUTLIER) cc_final: 0.9015 (ttm170) REVERT: D 4205 TRP cc_start: 0.9588 (OUTLIER) cc_final: 0.9252 (t-100) REVERT: D 4562 LEU cc_start: 0.9193 (OUTLIER) cc_final: 0.8908 (tt) REVERT: D 4580 TYR cc_start: 0.9418 (OUTLIER) cc_final: 0.8279 (m-80) REVERT: D 4736 ARG cc_start: 0.9189 (OUTLIER) cc_final: 0.8438 (mtp85) REVERT: D 4796 MET cc_start: 0.9016 (OUTLIER) cc_final: 0.8485 (tmm) REVERT: D 4839 MET cc_start: 0.8813 (mmm) cc_final: 0.8573 (mmm) REVERT: D 4865 LYS cc_start: 0.7429 (OUTLIER) cc_final: 0.6034 (pttp) REVERT: D 4953 ASP cc_start: 0.8976 (OUTLIER) cc_final: 0.8655 (t0) REVERT: D 4957 LYS cc_start: 0.9012 (OUTLIER) cc_final: 0.8734 (mmtp) REVERT: D 5020 ASP cc_start: 0.9468 (OUTLIER) cc_final: 0.9181 (m-30) REVERT: B 159 GLU cc_start: 0.8836 (OUTLIER) cc_final: 0.8442 (tm-30) REVERT: B 210 GLU cc_start: 0.7884 (OUTLIER) cc_final: 0.7549 (pm20) REVERT: B 229 GLU cc_start: 0.7474 (OUTLIER) cc_final: 0.7130 (tt0) REVERT: B 243 ARG cc_start: 0.8533 (OUTLIER) cc_final: 0.7208 (mmm160) REVERT: B 275 ARG cc_start: 0.7940 (OUTLIER) cc_final: 0.7659 (mtm110) REVERT: B 283 ARG cc_start: 0.8055 (OUTLIER) cc_final: 0.7364 (ttm170) REVERT: B 419 ASP cc_start: 0.8570 (OUTLIER) cc_final: 0.8204 (m-30) REVERT: B 581 ASN cc_start: 0.7993 (OUTLIER) cc_final: 0.7709 (p0) REVERT: B 659 TYR cc_start: 0.5537 (OUTLIER) cc_final: 0.4634 (m-80) REVERT: B 662 TRP cc_start: 0.7481 (OUTLIER) cc_final: 0.6798 (m100) REVERT: B 663 TYR cc_start: 0.6447 (OUTLIER) cc_final: 0.5908 (t80) REVERT: B 700 GLU cc_start: 0.7730 (OUTLIER) cc_final: 0.7382 (mp0) REVERT: B 831 ARG cc_start: 0.8779 (OUTLIER) cc_final: 0.8482 (ptp-170) REVERT: B 869 ARG cc_start: 0.6307 (OUTLIER) cc_final: 0.5169 (ptt-90) REVERT: B 870 ILE cc_start: 0.6327 (OUTLIER) cc_final: 0.5420 (mm) REVERT: B 893 TYR cc_start: 0.5048 (OUTLIER) cc_final: 0.4163 (p90) REVERT: B 944 GLU cc_start: 0.2269 (OUTLIER) cc_final: 0.1849 (tt0) REVERT: B 1044 ARG cc_start: 0.3261 (OUTLIER) cc_final: 0.2407 (tpp80) REVERT: B 1110 ARG cc_start: 0.9152 (OUTLIER) cc_final: 0.8822 (ptp-110) REVERT: B 1133 HIS cc_start: 0.9360 (OUTLIER) cc_final: 0.8747 (t-170) REVERT: B 1141 ARG cc_start: 0.8839 (OUTLIER) cc_final: 0.8145 (ptm160) REVERT: B 1152 MET cc_start: 0.8670 (OUTLIER) cc_final: 0.8438 (mtm) REVERT: B 1202 LEU cc_start: 0.9357 (OUTLIER) cc_final: 0.8918 (tp) REVERT: B 1242 LEU cc_start: 0.9302 (OUTLIER) cc_final: 0.9063 (mp) REVERT: B 1255 TYR cc_start: 0.8844 (OUTLIER) cc_final: 0.7502 (m-80) REVERT: B 1630 CYS cc_start: 0.8464 (OUTLIER) cc_final: 0.8045 (p) REVERT: B 1652 GLU cc_start: 0.9491 (OUTLIER) cc_final: 0.9093 (tm-30) REVERT: B 1655 GLU cc_start: 0.8898 (OUTLIER) cc_final: 0.7886 (tm-30) REVERT: B 1657 LEU cc_start: 0.9747 (OUTLIER) cc_final: 0.9401 (mm) REVERT: B 1714 LEU cc_start: 0.9417 (OUTLIER) cc_final: 0.8954 (mp) REVERT: B 1771 LEU cc_start: 0.9224 (OUTLIER) cc_final: 0.8846 (mp) REVERT: B 1813 ARG cc_start: 0.9228 (OUTLIER) cc_final: 0.8249 (ttp80) REVERT: B 1939 MET cc_start: 0.9108 (mmm) cc_final: 0.8700 (mmm) REVERT: B 1958 LEU cc_start: 0.9139 (OUTLIER) cc_final: 0.8689 (tt) REVERT: B 1963 GLU cc_start: 0.8415 (OUTLIER) cc_final: 0.8117 (pp20) REVERT: B 1965 TYR cc_start: 0.8078 (OUTLIER) cc_final: 0.7592 (t80) REVERT: B 1973 GLN cc_start: 0.7775 (OUTLIER) cc_final: 0.7450 (tm-30) REVERT: B 2028 ARG cc_start: 0.8823 (OUTLIER) cc_final: 0.8605 (ptt180) REVERT: B 2126 ARG cc_start: 0.9500 (OUTLIER) cc_final: 0.9223 (mtp85) REVERT: B 2191 PHE cc_start: 0.9162 (OUTLIER) cc_final: 0.8358 (t80) REVERT: B 2245 GLN cc_start: 0.9495 (OUTLIER) cc_final: 0.8811 (mm-40) REVERT: B 2336 ARG cc_start: 0.8945 (OUTLIER) cc_final: 0.8543 (ttp-110) REVERT: B 2364 PHE cc_start: 0.7564 (OUTLIER) cc_final: 0.6639 (m-80) REVERT: B 2420 HIS cc_start: 0.8258 (OUTLIER) cc_final: 0.7879 (t70) REVERT: B 2458 ARG cc_start: 0.7792 (OUTLIER) cc_final: 0.7489 (tpt90) REVERT: B 2779 GLU cc_start: 0.2018 (OUTLIER) cc_final: 0.0733 (mt-10) REVERT: B 2799 GLU cc_start: -0.0077 (OUTLIER) cc_final: -0.0300 (tp30) REVERT: B 3642 TYR cc_start: 0.7767 (OUTLIER) cc_final: 0.6617 (p90) REVERT: B 3647 HIS cc_start: 0.8106 (OUTLIER) cc_final: 0.7473 (p90) REVERT: B 3669 PHE cc_start: 0.8829 (OUTLIER) cc_final: 0.8121 (p90) REVERT: B 3673 MET cc_start: 0.8794 (OUTLIER) cc_final: 0.8302 (ttt) REVERT: B 3712 GLU cc_start: 0.8939 (OUTLIER) cc_final: 0.8669 (pm20) REVERT: B 3753 PHE cc_start: 0.7993 (OUTLIER) cc_final: 0.7658 (t80) REVERT: B 3805 LEU cc_start: 0.9483 (OUTLIER) cc_final: 0.9193 (pp) REVERT: B 3835 LEU cc_start: 0.9492 (OUTLIER) cc_final: 0.9203 (tt) REVERT: B 4054 ASN cc_start: 0.9059 (OUTLIER) cc_final: 0.8473 (m-40) REVERT: B 4066 LEU cc_start: 0.9475 (OUTLIER) cc_final: 0.9210 (mp) REVERT: B 4078 GLN cc_start: 0.9426 (OUTLIER) cc_final: 0.8647 (tm-30) REVERT: B 4097 MET cc_start: 0.8952 (OUTLIER) cc_final: 0.8470 (mpp) REVERT: B 4102 GLN cc_start: 0.8803 (OUTLIER) cc_final: 0.8349 (pt0) REVERT: B 4108 ILE cc_start: 0.9233 (OUTLIER) cc_final: 0.8986 (mm) REVERT: B 4125 PHE cc_start: 0.9161 (OUTLIER) cc_final: 0.8845 (p90) REVERT: B 4132 PHE cc_start: 0.8645 (OUTLIER) cc_final: 0.8192 (m-10) REVERT: B 4142 ASN cc_start: 0.9559 (OUTLIER) cc_final: 0.8977 (t0) REVERT: B 4205 TRP cc_start: 0.9589 (OUTLIER) cc_final: 0.9255 (t-100) REVERT: B 4562 LEU cc_start: 0.9185 (OUTLIER) cc_final: 0.8909 (tt) REVERT: B 4580 TYR cc_start: 0.9449 (OUTLIER) cc_final: 0.8281 (m-80) REVERT: B 4736 ARG cc_start: 0.9179 (OUTLIER) cc_final: 0.8432 (mtp85) REVERT: B 4839 MET cc_start: 0.8799 (mmm) cc_final: 0.8567 (mmm) REVERT: B 4876 CYS cc_start: 0.6874 (OUTLIER) cc_final: 0.6487 (t) REVERT: B 4953 ASP cc_start: 0.8989 (OUTLIER) cc_final: 0.8631 (t0) REVERT: B 5020 ASP cc_start: 0.9441 (OUTLIER) cc_final: 0.9152 (m-30) outliers start: 2744 outliers final: 1905 residues processed: 3137 average time/residue: 0.9022 time to fit residues: 5022.1941 Evaluate side-chains 2744 residues out of total 11248 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2208 poor density : 536 time to evaluate : 8.773 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 17 ASP Chi-restraints excluded: chain A residue 20 VAL Chi-restraints excluded: chain A residue 21 VAL Chi-restraints excluded: chain A residue 24 CYS Chi-restraints excluded: chain A residue 37 LEU Chi-restraints excluded: chain A residue 49 LEU Chi-restraints excluded: chain A residue 57 ASN Chi-restraints excluded: chain A residue 58 VAL Chi-restraints excluded: chain A residue 64 ILE Chi-restraints excluded: chain A residue 68 THR Chi-restraints excluded: chain A residue 69 LEU Chi-restraints excluded: chain A residue 74 SER Chi-restraints excluded: chain A residue 75 VAL Chi-restraints excluded: chain A residue 80 GLU Chi-restraints excluded: chain A residue 81 MET Chi-restraints excluded: chain A residue 107 ILE Chi-restraints excluded: chain A residue 109 LEU Chi-restraints excluded: chain A residue 111 HIS Chi-restraints excluded: chain A residue 114 SER Chi-restraints excluded: chain A residue 115 ARG Chi-restraints excluded: chain A residue 119 SER Chi-restraints excluded: chain A residue 131 LEU Chi-restraints excluded: chain A residue 134 ASP Chi-restraints excluded: chain A residue 138 GLN Chi-restraints excluded: chain A residue 144 GLU Chi-restraints excluded: chain A residue 149 THR Chi-restraints excluded: chain A residue 151 HIS Chi-restraints excluded: chain A residue 154 SER Chi-restraints excluded: chain A residue 159 GLU Chi-restraints excluded: chain A residue 161 GLU Chi-restraints excluded: chain A residue 162 LYS Chi-restraints excluded: chain A residue 164 ARG Chi-restraints excluded: chain A residue 165 VAL Chi-restraints excluded: chain A residue 167 ASP Chi-restraints excluded: chain A residue 170 ILE Chi-restraints excluded: chain A residue 173 SER Chi-restraints excluded: chain A residue 174 VAL Chi-restraints excluded: chain A residue 192 ASP Chi-restraints excluded: chain A residue 194 SER Chi-restraints excluded: chain A residue 206 CYS Chi-restraints excluded: chain A residue 211 GLU Chi-restraints excluded: chain A residue 215 THR Chi-restraints excluded: chain A residue 219 VAL Chi-restraints excluded: chain A residue 222 LEU Chi-restraints excluded: chain A residue 229 GLU Chi-restraints excluded: chain A residue 232 THR Chi-restraints excluded: chain A residue 240 ASP Chi-restraints excluded: chain A residue 243 ARG Chi-restraints excluded: chain A residue 258 SER Chi-restraints excluded: chain A residue 260 TRP Chi-restraints excluded: chain A residue 262 LEU Chi-restraints excluded: chain A residue 267 ILE Chi-restraints excluded: chain A residue 275 ARG Chi-restraints excluded: chain A residue 276 TRP Chi-restraints excluded: chain A residue 281 ARG Chi-restraints excluded: chain A residue 283 ARG Chi-restraints excluded: chain A residue 285 VAL Chi-restraints excluded: chain A residue 286 THR Chi-restraints excluded: chain A residue 287 THR Chi-restraints excluded: chain A residue 299 LEU Chi-restraints excluded: chain A residue 300 VAL Chi-restraints excluded: chain A residue 303 ASP 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 318 VAL Chi-restraints excluded: chain A residue 343 GLU Chi-restraints excluded: chain A residue 345 LEU Chi-restraints excluded: chain A residue 348 VAL Chi-restraints excluded: chain A residue 357 LEU Chi-restraints excluded: chain A residue 358 THR Chi-restraints excluded: chain A residue 359 TYR Chi-restraints excluded: chain A residue 373 LYS Chi-restraints excluded: chain A residue 389 PHE Chi-restraints excluded: chain A residue 390 LEU Chi-restraints excluded: chain A residue 396 GLU Chi-restraints excluded: chain A residue 419 ASP Chi-restraints excluded: chain A residue 422 SER Chi-restraints excluded: chain A residue 424 LYS Chi-restraints excluded: chain A residue 436 LEU Chi-restraints excluded: chain A residue 444 SER Chi-restraints excluded: chain A residue 453 GLU Chi-restraints excluded: chain A residue 455 PRO Chi-restraints excluded: chain A residue 456 SER Chi-restraints excluded: chain A residue 457 GLU Chi-restraints excluded: chain A residue 459 LEU Chi-restraints excluded: chain A residue 469 ARG Chi-restraints excluded: chain A residue 470 SER Chi-restraints excluded: chain A residue 472 ARG Chi-restraints excluded: chain A residue 477 LEU Chi-restraints excluded: chain A residue 478 PHE Chi-restraints excluded: chain A residue 483 MET Chi-restraints excluded: chain A residue 487 VAL Chi-restraints excluded: chain A residue 488 LEU Chi-restraints excluded: chain A residue 494 LEU Chi-restraints excluded: chain A residue 497 TYR Chi-restraints excluded: chain A residue 499 THR Chi-restraints excluded: chain A residue 503 PHE Chi-restraints excluded: chain A residue 510 GLU Chi-restraints excluded: chain A residue 517 GLU Chi-restraints excluded: chain A residue 519 VAL Chi-restraints excluded: chain A residue 520 ASN Chi-restraints excluded: chain A residue 534 ARG Chi-restraints excluded: chain A residue 537 CYS Chi-restraints excluded: chain A residue 542 THR Chi-restraints excluded: chain A residue 549 SER Chi-restraints excluded: chain A residue 554 LEU Chi-restraints excluded: chain A residue 557 SER Chi-restraints excluded: chain A residue 566 CYS Chi-restraints excluded: chain A residue 570 GLU Chi-restraints excluded: chain A residue 572 PRO Chi-restraints excluded: chain A residue 578 ILE Chi-restraints excluded: chain A residue 581 ASN Chi-restraints excluded: chain A residue 587 ILE Chi-restraints excluded: chain A residue 600 LEU Chi-restraints excluded: chain A residue 608 VAL Chi-restraints excluded: chain A residue 612 VAL Chi-restraints excluded: chain A residue 614 VAL Chi-restraints excluded: chain A residue 616 SER Chi-restraints excluded: chain A residue 622 THR Chi-restraints excluded: chain A residue 624 ASN Chi-restraints excluded: chain A residue 626 LEU Chi-restraints excluded: chain A residue 634 GLN Chi-restraints excluded: chain A residue 637 LEU Chi-restraints excluded: chain A residue 641 VAL Chi-restraints excluded: chain A residue 643 SER Chi-restraints excluded: chain A residue 648 ILE Chi-restraints excluded: chain A residue 650 VAL Chi-restraints excluded: chain A residue 659 TYR Chi-restraints excluded: chain A residue 661 LYS Chi-restraints excluded: chain A residue 662 TRP Chi-restraints excluded: chain A residue 663 TYR Chi-restraints excluded: chain A residue 668 VAL Chi-restraints excluded: chain A residue 669 ASP Chi-restraints excluded: chain A residue 671 VAL Chi-restraints excluded: chain A residue 682 LEU Chi-restraints excluded: chain A residue 684 VAL Chi-restraints excluded: chain A residue 700 GLU Chi-restraints excluded: chain A residue 707 VAL Chi-restraints excluded: chain A residue 710 ASP Chi-restraints excluded: chain A residue 716 PHE Chi-restraints excluded: chain A residue 719 LEU Chi-restraints excluded: chain A residue 720 HIS Chi-restraints excluded: chain A residue 723 THR Chi-restraints excluded: chain A residue 726 VAL Chi-restraints excluded: chain A residue 730 VAL Chi-restraints excluded: chain A residue 737 LEU Chi-restraints excluded: chain A residue 744 VAL Chi-restraints excluded: chain A residue 752 VAL Chi-restraints excluded: chain A residue 754 SER Chi-restraints excluded: chain A residue 758 ARG Chi-restraints excluded: chain A residue 759 ILE Chi-restraints excluded: chain A residue 776 LEU Chi-restraints excluded: chain A residue 780 VAL Chi-restraints excluded: chain A residue 784 SER Chi-restraints excluded: chain A residue 790 ARG Chi-restraints excluded: chain A residue 791 PHE Chi-restraints excluded: chain A residue 793 LEU Chi-restraints excluded: chain A residue 796 ARG Chi-restraints excluded: chain A residue 803 LEU Chi-restraints excluded: chain A residue 812 HIS Chi-restraints excluded: chain A residue 818 ARG Chi-restraints excluded: chain A residue 831 ARG Chi-restraints excluded: chain A residue 835 ARG Chi-restraints excluded: chain A residue 840 VAL Chi-restraints excluded: chain A residue 850 ASP Chi-restraints excluded: chain A residue 866 HIS Chi-restraints excluded: chain A residue 867 LEU Chi-restraints excluded: chain A residue 868 GLU Chi-restraints excluded: chain A residue 869 ARG Chi-restraints excluded: chain A residue 870 ILE Chi-restraints excluded: chain A residue 884 LEU Chi-restraints excluded: chain A residue 891 TRP Chi-restraints excluded: chain A residue 893 TYR Chi-restraints excluded: chain A residue 907 LEU Chi-restraints excluded: chain A residue 931 THR Chi-restraints excluded: chain A residue 944 GLU Chi-restraints excluded: chain A residue 974 HIS Chi-restraints excluded: chain A residue 978 THR Chi-restraints excluded: chain A residue 1037 ASP Chi-restraints excluded: chain A residue 1044 ARG Chi-restraints excluded: chain A residue 1076 ARG Chi-restraints excluded: chain A residue 1079 LYS Chi-restraints excluded: chain A residue 1080 SER Chi-restraints excluded: chain A residue 1082 THR Chi-restraints excluded: chain A residue 1083 VAL Chi-restraints excluded: chain A residue 1102 VAL Chi-restraints excluded: chain A residue 1110 ARG Chi-restraints excluded: chain A residue 1112 ASP Chi-restraints excluded: chain A residue 1113 VAL Chi-restraints excluded: chain A residue 1120 LEU Chi-restraints excluded: chain A residue 1133 HIS Chi-restraints excluded: chain A residue 1134 LEU Chi-restraints excluded: chain A residue 1139 PHE Chi-restraints excluded: chain A residue 1141 ARG Chi-restraints excluded: chain A residue 1148 VAL Chi-restraints excluded: chain A residue 1149 VAL Chi-restraints excluded: chain A residue 1152 MET Chi-restraints excluded: chain A residue 1153 ILE Chi-restraints excluded: chain A residue 1154 ASP Chi-restraints excluded: chain A residue 1159 THR Chi-restraints excluded: chain A residue 1164 LEU Chi-restraints excluded: chain A residue 1179 PHE Chi-restraints excluded: chain A residue 1184 ILE Chi-restraints excluded: chain A residue 1191 VAL Chi-restraints excluded: chain A residue 1193 SER Chi-restraints excluded: chain A residue 1198 GLN Chi-restraints excluded: chain A residue 1201 HIS 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 1210 SER Chi-restraints excluded: chain A residue 1214 PHE Chi-restraints excluded: chain A residue 1230 MET Chi-restraints excluded: chain A residue 1234 VAL Chi-restraints excluded: chain A residue 1235 THR Chi-restraints excluded: chain A residue 1238 PHE Chi-restraints excluded: chain A residue 1239 SER Chi-restraints excluded: chain A residue 1241 SER Chi-restraints excluded: chain A residue 1242 LEU Chi-restraints excluded: chain A residue 1255 TYR Chi-restraints excluded: chain A residue 1260 MET Chi-restraints excluded: chain A residue 1266 THR Chi-restraints excluded: chain A residue 1274 HIS Chi-restraints excluded: chain A residue 1574 PRO 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 1608 MET Chi-restraints excluded: chain A residue 1612 PHE Chi-restraints excluded: chain A residue 1635 THR Chi-restraints excluded: chain A residue 1637 MET Chi-restraints excluded: chain A residue 1639 LEU Chi-restraints excluded: chain A residue 1647 CYS Chi-restraints excluded: chain A residue 1648 MET Chi-restraints excluded: chain A residue 1652 GLU Chi-restraints excluded: chain A residue 1653 LEU Chi-restraints excluded: chain A residue 1655 GLU Chi-restraints excluded: chain A residue 1656 ARG Chi-restraints excluded: chain A residue 1664 SER Chi-restraints excluded: chain A residue 1666 THR Chi-restraints excluded: chain A residue 1681 VAL Chi-restraints excluded: chain A residue 1687 SER Chi-restraints excluded: chain A residue 1695 LEU Chi-restraints excluded: chain A residue 1700 ASP Chi-restraints excluded: chain A residue 1702 HIS Chi-restraints excluded: chain A residue 1703 LEU Chi-restraints excluded: chain A residue 1706 PRO Chi-restraints excluded: chain A residue 1714 LEU Chi-restraints excluded: chain A residue 1716 ILE Chi-restraints excluded: chain A residue 1717 SER Chi-restraints excluded: chain A residue 1720 LEU Chi-restraints excluded: chain A residue 1721 GLU Chi-restraints excluded: chain A residue 1724 CYS Chi-restraints excluded: chain A residue 1730 MET Chi-restraints excluded: chain A residue 1731 LEU Chi-restraints excluded: chain A residue 1736 VAL Chi-restraints excluded: chain A residue 1739 THR Chi-restraints excluded: chain A residue 1742 THR Chi-restraints excluded: chain A residue 1745 ILE Chi-restraints excluded: chain A residue 1769 THR Chi-restraints excluded: chain A residue 1770 SER Chi-restraints excluded: chain A residue 1797 ARG Chi-restraints excluded: chain A residue 1798 LEU Chi-restraints excluded: chain A residue 1802 ILE Chi-restraints excluded: chain A residue 1813 ARG Chi-restraints excluded: chain A residue 1830 VAL Chi-restraints excluded: chain A residue 1833 SER Chi-restraints excluded: chain A residue 1834 VAL Chi-restraints excluded: chain A residue 1845 VAL Chi-restraints excluded: chain A residue 1847 THR Chi-restraints excluded: chain A residue 1850 VAL Chi-restraints excluded: chain A residue 1865 MET Chi-restraints excluded: chain A residue 1935 VAL Chi-restraints excluded: chain A residue 1947 CYS Chi-restraints excluded: chain A residue 1950 GLU Chi-restraints excluded: chain A residue 1953 HIS Chi-restraints excluded: chain A residue 1955 VAL Chi-restraints excluded: chain A residue 1963 GLU Chi-restraints excluded: chain A residue 1965 TYR Chi-restraints excluded: chain A residue 1969 LEU Chi-restraints excluded: chain A residue 1973 GLN Chi-restraints excluded: chain A residue 1980 LEU Chi-restraints excluded: chain A residue 2006 ILE Chi-restraints excluded: chain A residue 2010 LEU Chi-restraints excluded: chain A residue 2011 HIS Chi-restraints excluded: chain A residue 2028 ARG Chi-restraints excluded: chain A residue 2031 LEU Chi-restraints excluded: chain A residue 2041 HIS Chi-restraints excluded: chain A residue 2097 LEU Chi-restraints excluded: chain A residue 2098 VAL Chi-restraints excluded: chain A residue 2099 SER Chi-restraints excluded: chain A residue 2103 VAL Chi-restraints excluded: chain A residue 2117 VAL Chi-restraints excluded: chain A residue 2122 SER Chi-restraints excluded: chain A residue 2125 HIS Chi-restraints excluded: chain A residue 2126 ARG Chi-restraints excluded: chain A residue 2128 TYR Chi-restraints excluded: chain A residue 2140 ARG Chi-restraints excluded: chain A residue 2148 SER Chi-restraints excluded: chain A residue 2152 THR Chi-restraints excluded: chain A residue 2162 ILE Chi-restraints excluded: chain A residue 2164 SER Chi-restraints excluded: chain A residue 2166 LEU Chi-restraints excluded: chain A residue 2167 ILE Chi-restraints excluded: chain A residue 2172 PRO Chi-restraints excluded: chain A residue 2187 ASN Chi-restraints excluded: chain A residue 2191 PHE Chi-restraints excluded: chain A residue 2192 TYR Chi-restraints excluded: chain A residue 2194 HIS Chi-restraints excluded: chain A residue 2198 MET Chi-restraints excluded: chain A residue 2203 MET Chi-restraints excluded: chain A residue 2210 VAL Chi-restraints excluded: chain A residue 2215 LEU Chi-restraints excluded: chain A residue 2223 ILE Chi-restraints excluded: chain A residue 2229 VAL Chi-restraints excluded: chain A residue 2240 CYS Chi-restraints excluded: chain A residue 2245 GLN Chi-restraints excluded: chain A residue 2246 ASN Chi-restraints excluded: chain A residue 2249 SER Chi-restraints excluded: chain A residue 2253 HIS Chi-restraints excluded: chain A residue 2273 LEU Chi-restraints excluded: chain A residue 2274 ASP Chi-restraints excluded: chain A residue 2279 SER Chi-restraints excluded: chain A residue 2281 ILE Chi-restraints excluded: chain A residue 2286 LEU Chi-restraints excluded: chain A residue 2291 GLN Chi-restraints excluded: chain A residue 2299 VAL Chi-restraints excluded: chain A residue 2300 SER Chi-restraints excluded: chain A residue 2301 TYR Chi-restraints excluded: chain A residue 2302 LEU Chi-restraints excluded: chain A residue 2336 ARG Chi-restraints excluded: chain A residue 2341 VAL Chi-restraints excluded: chain A residue 2364 PHE Chi-restraints excluded: chain A residue 2420 HIS Chi-restraints excluded: chain A residue 2438 PRO Chi-restraints excluded: chain A residue 2442 LEU Chi-restraints excluded: chain A residue 2443 ILE Chi-restraints excluded: chain A residue 2451 LEU Chi-restraints excluded: chain A residue 2456 ILE Chi-restraints excluded: chain A residue 2457 LEU Chi-restraints excluded: chain A residue 2458 ARG Chi-restraints excluded: chain A residue 2460 LEU Chi-restraints excluded: chain A residue 2752 ASP Chi-restraints excluded: chain A residue 2761 TYR Chi-restraints excluded: chain A residue 2762 THR Chi-restraints excluded: chain A residue 2779 GLU Chi-restraints excluded: chain A residue 2799 GLU Chi-restraints excluded: chain A residue 2807 TRP Chi-restraints excluded: chain A residue 2811 GLU Chi-restraints excluded: chain A residue 2869 ARG Chi-restraints excluded: chain A residue 2872 GLN Chi-restraints excluded: chain A residue 2882 TYR Chi-restraints excluded: chain A residue 2883 HIS Chi-restraints excluded: chain A residue 2889 LYS Chi-restraints excluded: chain A residue 2892 GLN Chi-restraints excluded: chain A residue 2894 LEU Chi-restraints excluded: chain A residue 2895 GLU Chi-restraints excluded: chain A residue 2901 THR Chi-restraints excluded: chain A residue 2906 VAL Chi-restraints excluded: chain A residue 2927 LEU Chi-restraints excluded: chain A residue 2928 LYS Chi-restraints excluded: chain A residue 2932 MET Chi-restraints excluded: chain A residue 3642 TYR Chi-restraints excluded: chain A residue 3647 HIS Chi-restraints excluded: chain A residue 3648 ARG Chi-restraints excluded: chain A residue 3656 SER Chi-restraints excluded: chain A residue 3657 TYR Chi-restraints excluded: chain A residue 3658 LYS Chi-restraints excluded: chain A residue 3661 TRP Chi-restraints excluded: chain A residue 3669 PHE Chi-restraints excluded: chain A residue 3674 ILE Chi-restraints excluded: chain A residue 3678 SER Chi-restraints excluded: chain A residue 3696 ASP Chi-restraints excluded: chain A residue 3708 THR Chi-restraints excluded: chain A residue 3710 LEU Chi-restraints excluded: chain A residue 3711 THR Chi-restraints excluded: chain A residue 3712 GLU Chi-restraints excluded: chain A residue 3727 ASP Chi-restraints excluded: chain A residue 3728 ILE Chi-restraints excluded: chain A residue 3733 CYS Chi-restraints excluded: chain A residue 3751 VAL Chi-restraints excluded: chain A residue 3753 PHE Chi-restraints excluded: chain A residue 3761 GLN Chi-restraints excluded: chain A residue 3762 ARG Chi-restraints excluded: chain A residue 3790 THR Chi-restraints excluded: chain A residue 3795 SER Chi-restraints excluded: chain A residue 3803 SER Chi-restraints excluded: chain A residue 3804 ILE Chi-restraints excluded: chain A residue 3805 LEU Chi-restraints excluded: chain A residue 3809 ASN Chi-restraints excluded: chain A residue 3822 ASP Chi-restraints excluded: chain A residue 3825 GLU Chi-restraints excluded: chain A residue 3830 GLN Chi-restraints excluded: chain A residue 3835 LEU Chi-restraints excluded: chain A residue 3836 MET Chi-restraints excluded: chain A residue 3838 THR Chi-restraints excluded: chain A residue 3886 ARG Chi-restraints excluded: chain A residue 3890 LEU Chi-restraints excluded: chain A residue 3892 CYS Chi-restraints excluded: chain A residue 3899 PHE Chi-restraints excluded: chain A residue 3905 THR Chi-restraints excluded: chain A residue 3907 THR Chi-restraints excluded: chain A residue 3910 THR Chi-restraints excluded: chain A residue 3911 THR Chi-restraints excluded: chain A residue 3913 ILE Chi-restraints excluded: chain A residue 3919 THR Chi-restraints excluded: chain A residue 3920 VAL Chi-restraints excluded: chain A residue 3930 ILE Chi-restraints excluded: chain A residue 3938 SER Chi-restraints excluded: chain A residue 3950 ASN Chi-restraints excluded: chain A residue 3952 SER Chi-restraints excluded: chain A residue 3964 SER Chi-restraints excluded: chain A residue 3966 THR Chi-restraints excluded: chain A residue 3973 CYS Chi-restraints excluded: chain A residue 3974 THR Chi-restraints excluded: chain A residue 3979 SER Chi-restraints excluded: chain A residue 4021 LYS Chi-restraints excluded: chain A residue 4040 ILE Chi-restraints excluded: chain A residue 4045 VAL Chi-restraints excluded: chain A residue 4053 SER Chi-restraints excluded: chain A residue 4054 ASN Chi-restraints excluded: chain A residue 4066 LEU Chi-restraints excluded: chain A residue 4071 ILE Chi-restraints excluded: chain A residue 4072 VAL Chi-restraints excluded: chain A residue 4078 GLN Chi-restraints excluded: chain A residue 4081 VAL Chi-restraints excluded: chain A residue 4082 THR Chi-restraints excluded: chain A residue 4083 ASP Chi-restraints excluded: chain A residue 4088 ILE Chi-restraints excluded: chain A residue 4092 ASP Chi-restraints excluded: chain A residue 4097 MET Chi-restraints excluded: chain A residue 4098 ASP Chi-restraints excluded: chain A residue 4100 GLN Chi-restraints excluded: chain A residue 4102 GLN Chi-restraints excluded: chain A residue 4104 THR Chi-restraints excluded: chain A residue 4108 ILE Chi-restraints excluded: chain A residue 4113 SER Chi-restraints excluded: chain A residue 4115 SER Chi-restraints excluded: chain A residue 4116 GLU Chi-restraints excluded: chain A residue 4118 ASP Chi-restraints excluded: chain A residue 4119 GLU 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 4132 PHE Chi-restraints excluded: chain A residue 4142 ASN Chi-restraints excluded: chain A residue 4151 SER Chi-restraints excluded: chain A residue 4161 ARG Chi-restraints excluded: chain A residue 4168 GLU Chi-restraints excluded: chain A residue 4170 ILE Chi-restraints excluded: chain A residue 4182 GLU Chi-restraints excluded: chain A residue 4187 SER Chi-restraints excluded: chain A residue 4192 ARG Chi-restraints excluded: chain A residue 4197 ILE Chi-restraints excluded: chain A residue 4199 GLU Chi-restraints excluded: chain A residue 4205 TRP Chi-restraints excluded: chain A residue 4213 SER Chi-restraints excluded: chain A residue 4217 PHE Chi-restraints excluded: chain A residue 4221 VAL Chi-restraints excluded: chain A residue 4241 THR Chi-restraints excluded: chain A residue 4246 GLN Chi-restraints excluded: chain A residue 4251 ILE Chi-restraints excluded: chain A residue 4549 VAL Chi-restraints excluded: chain A residue 4552 LEU Chi-restraints excluded: chain A residue 4553 ASN Chi-restraints excluded: chain A residue 4556 SER Chi-restraints excluded: chain A residue 4561 THR Chi-restraints excluded: chain A residue 4562 LEU Chi-restraints excluded: chain A residue 4569 LEU Chi-restraints excluded: chain A residue 4571 PHE Chi-restraints excluded: chain A residue 4573 ILE Chi-restraints excluded: chain A residue 4580 TYR Chi-restraints excluded: chain A residue 4584 ASP Chi-restraints excluded: chain A residue 4628 VAL Chi-restraints excluded: chain A residue 4631 PHE Chi-restraints excluded: chain A residue 4632 LEU Chi-restraints excluded: chain A residue 4636 THR Chi-restraints excluded: chain A residue 4639 MET Chi-restraints excluded: chain A residue 4643 LEU Chi-restraints excluded: chain A residue 4647 SER Chi-restraints excluded: chain A residue 4648 LEU Chi-restraints excluded: chain A residue 4651 THR Chi-restraints excluded: chain A residue 4676 GLU Chi-restraints excluded: chain A residue 4688 ILE Chi-restraints excluded: chain A residue 4694 ASP Chi-restraints excluded: chain A residue 4695 ASP Chi-restraints excluded: chain A residue 4724 VAL Chi-restraints excluded: chain A residue 4728 HIS Chi-restraints excluded: chain A residue 4736 ARG Chi-restraints excluded: chain A residue 4741 LEU Chi-restraints excluded: chain A residue 4743 MET Chi-restraints excluded: chain A residue 4744 ASP Chi-restraints excluded: chain A residue 4751 THR Chi-restraints excluded: chain A residue 4765 LEU Chi-restraints excluded: chain A residue 4768 LEU Chi-restraints excluded: chain A residue 4770 SER Chi-restraints excluded: chain A residue 4773 VAL Chi-restraints excluded: chain A residue 4782 VAL Chi-restraints excluded: chain A residue 4788 SER Chi-restraints excluded: chain A residue 4797 VAL Chi-restraints excluded: chain A residue 4799 SER Chi-restraints excluded: chain A residue 4803 HIS Chi-restraints excluded: chain A residue 4804 TYR Chi-restraints excluded: chain A residue 4818 MET Chi-restraints excluded: chain A residue 4822 THR Chi-restraints excluded: chain A residue 4828 SER Chi-restraints excluded: chain A residue 4831 THR Chi-restraints excluded: chain A residue 4840 THR Chi-restraints excluded: chain A residue 4852 THR Chi-restraints excluded: chain A residue 4856 PHE Chi-restraints excluded: chain A residue 4858 PHE Chi-restraints excluded: chain A residue 4861 LYS Chi-restraints excluded: chain A residue 4865 LYS Chi-restraints excluded: chain A residue 4869 GLU Chi-restraints excluded: chain A residue 4870 ASP Chi-restraints excluded: chain A residue 4871 GLU Chi-restraints excluded: chain A residue 4873 ASP Chi-restraints excluded: chain A residue 4875 LYS Chi-restraints excluded: chain A residue 4879 MET Chi-restraints excluded: chain A residue 4881 THR Chi-restraints excluded: chain A residue 4887 MET Chi-restraints excluded: chain A residue 4888 TYR Chi-restraints excluded: chain A residue 4891 VAL Chi-restraints excluded: chain A residue 4910 GLU Chi-restraints excluded: chain A residue 4913 ARG Chi-restraints excluded: chain A residue 4915 VAL Chi-restraints excluded: chain A residue 4919 THR Chi-restraints excluded: chain A residue 4925 ILE Chi-restraints excluded: chain A residue 4926 VAL Chi-restraints excluded: chain A residue 4928 LEU Chi-restraints excluded: chain A residue 4937 ILE Chi-restraints excluded: chain A residue 4938 ASP Chi-restraints excluded: chain A residue 4947 GLN Chi-restraints excluded: chain A residue 4950 VAL Chi-restraints excluded: chain A residue 4952 GLU Chi-restraints excluded: chain A residue 4953 ASP Chi-restraints excluded: chain A residue 4957 LYS Chi-restraints excluded: chain A residue 4961 CYS Chi-restraints excluded: chain A residue 4963 ILE Chi-restraints excluded: chain A residue 4965 SER Chi-restraints excluded: chain A residue 4967 TYR Chi-restraints excluded: chain A residue 4970 THR Chi-restraints excluded: chain A residue 4977 THR Chi-restraints excluded: chain A residue 4979 THR Chi-restraints excluded: chain A residue 4983 HIS Chi-restraints excluded: chain A residue 4985 LEU Chi-restraints excluded: chain A residue 4997 ASN Chi-restraints excluded: chain A residue 5001 THR Chi-restraints excluded: chain A residue 5008 SER Chi-restraints excluded: chain A residue 5016 GLU Chi-restraints excluded: chain A residue 5018 CYS Chi-restraints excluded: chain A residue 5020 ASP Chi-restraints excluded: chain A residue 5021 PHE Chi-restraints excluded: chain A residue 5030 LYS Chi-restraints excluded: chain A residue 5034 ASP Chi-restraints excluded: chain A residue 5036 LEU Chi-restraints excluded: chain A residue 5037 SER Chi-restraints excluded: chain C residue 17 ASP Chi-restraints excluded: chain C residue 20 VAL Chi-restraints excluded: chain C residue 21 VAL Chi-restraints excluded: chain C residue 24 CYS Chi-restraints excluded: chain C residue 37 LEU Chi-restraints excluded: chain C residue 49 LEU Chi-restraints excluded: chain C residue 57 ASN Chi-restraints excluded: chain C residue 58 VAL Chi-restraints excluded: chain C residue 64 ILE Chi-restraints excluded: chain C residue 68 THR Chi-restraints excluded: chain C residue 69 LEU Chi-restraints excluded: chain C residue 74 SER Chi-restraints excluded: chain C residue 75 VAL Chi-restraints excluded: chain C residue 80 GLU Chi-restraints excluded: chain C residue 81 MET Chi-restraints excluded: chain C residue 107 ILE Chi-restraints excluded: chain C residue 109 LEU Chi-restraints excluded: chain C residue 111 HIS Chi-restraints excluded: chain C residue 114 SER Chi-restraints excluded: chain C residue 115 ARG Chi-restraints excluded: chain C residue 119 SER Chi-restraints excluded: chain C residue 131 LEU Chi-restraints excluded: chain C residue 138 GLN Chi-restraints excluded: chain C residue 144 GLU Chi-restraints excluded: chain C residue 149 THR Chi-restraints excluded: chain C residue 154 SER Chi-restraints excluded: chain C residue 159 GLU Chi-restraints excluded: chain C residue 161 GLU Chi-restraints excluded: chain C residue 164 ARG Chi-restraints excluded: chain C residue 167 ASP Chi-restraints excluded: chain C residue 170 ILE Chi-restraints excluded: chain C residue 173 SER Chi-restraints excluded: chain C residue 174 VAL Chi-restraints excluded: chain C residue 192 ASP Chi-restraints excluded: chain C residue 194 SER Chi-restraints excluded: chain C residue 206 CYS Chi-restraints excluded: chain C residue 215 THR Chi-restraints excluded: chain C residue 219 VAL Chi-restraints excluded: chain C residue 222 LEU Chi-restraints excluded: chain C residue 229 GLU Chi-restraints excluded: chain C residue 232 THR Chi-restraints excluded: chain C residue 240 ASP Chi-restraints excluded: chain C residue 243 ARG Chi-restraints excluded: chain C residue 258 SER Chi-restraints excluded: chain C residue 260 TRP Chi-restraints excluded: chain C residue 262 LEU Chi-restraints excluded: chain C residue 267 ILE Chi-restraints excluded: chain C residue 275 ARG Chi-restraints excluded: chain C residue 276 TRP Chi-restraints excluded: chain C residue 278 GLN Chi-restraints excluded: chain C residue 281 ARG Chi-restraints excluded: chain C residue 285 VAL Chi-restraints excluded: chain C residue 286 THR Chi-restraints excluded: chain C residue 287 THR Chi-restraints excluded: chain C residue 299 LEU Chi-restraints excluded: chain C residue 300 VAL Chi-restraints excluded: chain C residue 303 ASP Chi-restraints excluded: chain C residue 312 THR Chi-restraints excluded: chain C residue 313 SER Chi-restraints excluded: chain C residue 318 VAL Chi-restraints excluded: chain C residue 320 LYS Chi-restraints excluded: chain C residue 343 GLU Chi-restraints excluded: chain C residue 345 LEU Chi-restraints excluded: chain C residue 348 VAL Chi-restraints excluded: chain C residue 357 LEU Chi-restraints excluded: chain C residue 358 THR Chi-restraints excluded: chain C residue 359 TYR Chi-restraints excluded: chain C residue 373 LYS Chi-restraints excluded: chain C residue 388 LEU Chi-restraints excluded: chain C residue 389 PHE Chi-restraints excluded: chain C residue 390 LEU Chi-restraints excluded: chain C residue 396 GLU Chi-restraints excluded: chain C residue 405 HIS Chi-restraints excluded: chain C residue 419 ASP Chi-restraints excluded: chain C residue 422 SER Chi-restraints excluded: chain C residue 424 LYS Chi-restraints excluded: chain C residue 436 LEU Chi-restraints excluded: chain C residue 444 SER Chi-restraints excluded: chain C residue 453 GLU Chi-restraints excluded: chain C residue 455 PRO Chi-restraints excluded: chain C residue 456 SER Chi-restraints excluded: chain C residue 457 GLU Chi-restraints excluded: chain C residue 459 LEU Chi-restraints excluded: chain C residue 469 ARG Chi-restraints excluded: chain C residue 470 SER Chi-restraints excluded: chain C residue 477 LEU Chi-restraints excluded: chain C residue 478 PHE Chi-restraints excluded: chain C residue 483 MET Chi-restraints excluded: chain C residue 487 VAL Chi-restraints excluded: chain C residue 488 LEU Chi-restraints excluded: chain C residue 494 LEU Chi-restraints excluded: chain C residue 497 TYR Chi-restraints excluded: chain C residue 499 THR Chi-restraints excluded: chain C residue 503 PHE Chi-restraints excluded: chain C residue 510 GLU Chi-restraints excluded: chain C residue 514 SER Chi-restraints excluded: chain C residue 517 GLU Chi-restraints excluded: chain C residue 519 VAL Chi-restraints excluded: chain C residue 534 ARG Chi-restraints excluded: chain C residue 537 CYS Chi-restraints excluded: chain C residue 542 THR Chi-restraints excluded: chain C residue 549 SER Chi-restraints excluded: chain C residue 553 ARG Chi-restraints excluded: chain C residue 554 LEU Chi-restraints excluded: chain C residue 557 SER Chi-restraints excluded: chain C residue 566 CYS Chi-restraints excluded: chain C residue 570 GLU Chi-restraints excluded: chain C residue 581 ASN Chi-restraints excluded: chain C residue 587 ILE Chi-restraints excluded: chain C residue 600 LEU Chi-restraints excluded: chain C residue 608 VAL Chi-restraints excluded: chain C residue 612 VAL Chi-restraints excluded: chain C residue 614 VAL Chi-restraints excluded: chain C residue 616 SER Chi-restraints excluded: chain C residue 622 THR Chi-restraints excluded: chain C residue 629 ARG Chi-restraints excluded: chain C residue 634 GLN Chi-restraints excluded: chain C residue 637 LEU Chi-restraints excluded: chain C residue 641 VAL Chi-restraints excluded: chain C residue 643 SER Chi-restraints excluded: chain C residue 648 ILE Chi-restraints excluded: chain C residue 650 VAL Chi-restraints excluded: chain C residue 659 TYR Chi-restraints excluded: chain C residue 661 LYS Chi-restraints excluded: chain C residue 662 TRP Chi-restraints excluded: chain C residue 663 TYR Chi-restraints excluded: chain C residue 668 VAL Chi-restraints excluded: chain C residue 669 ASP Chi-restraints excluded: chain C residue 671 VAL Chi-restraints excluded: chain C residue 680 THR Chi-restraints excluded: chain C residue 684 VAL Chi-restraints excluded: chain C residue 700 GLU Chi-restraints excluded: chain C residue 707 VAL Chi-restraints excluded: chain C residue 710 ASP Chi-restraints excluded: chain C residue 719 LEU Chi-restraints excluded: chain C residue 720 HIS Chi-restraints excluded: chain C residue 726 VAL Chi-restraints excluded: chain C residue 730 VAL Chi-restraints excluded: chain C residue 737 LEU Chi-restraints excluded: chain C residue 744 VAL Chi-restraints excluded: chain C residue 752 VAL Chi-restraints excluded: chain C residue 754 SER Chi-restraints excluded: chain C residue 776 LEU Chi-restraints excluded: chain C residue 780 VAL Chi-restraints excluded: chain C residue 784 SER Chi-restraints excluded: chain C residue 787 VAL Chi-restraints excluded: chain C residue 788 LYS Chi-restraints excluded: chain C residue 791 PHE Chi-restraints excluded: chain C residue 793 LEU Chi-restraints excluded: chain C residue 803 LEU Chi-restraints excluded: chain C residue 811 CYS Chi-restraints excluded: chain C residue 812 HIS Chi-restraints excluded: chain C residue 831 ARG Chi-restraints excluded: chain C residue 835 ARG Chi-restraints excluded: chain C residue 840 VAL Chi-restraints excluded: chain C residue 850 ASP Chi-restraints excluded: chain C residue 866 HIS Chi-restraints excluded: chain C residue 867 LEU Chi-restraints excluded: chain C residue 868 GLU Chi-restraints excluded: chain C residue 869 ARG Chi-restraints excluded: chain C residue 870 ILE Chi-restraints excluded: chain C residue 884 LEU Chi-restraints excluded: chain C residue 891 TRP Chi-restraints excluded: chain C residue 907 LEU Chi-restraints excluded: chain C residue 931 THR Chi-restraints excluded: chain C residue 944 GLU Chi-restraints excluded: chain C residue 974 HIS Chi-restraints excluded: chain C residue 978 THR Chi-restraints excluded: chain C residue 1037 ASP Chi-restraints excluded: chain C residue 1044 ARG Chi-restraints excluded: chain C residue 1076 ARG Chi-restraints excluded: chain C residue 1079 LYS Chi-restraints excluded: chain C residue 1080 SER Chi-restraints excluded: chain C residue 1082 THR Chi-restraints excluded: chain C residue 1083 VAL Chi-restraints excluded: chain C residue 1102 VAL Chi-restraints excluded: chain C residue 1110 ARG Chi-restraints excluded: chain C residue 1112 ASP Chi-restraints excluded: chain C residue 1113 VAL Chi-restraints excluded: chain C residue 1120 LEU Chi-restraints excluded: chain C residue 1123 VAL Chi-restraints excluded: chain C residue 1133 HIS Chi-restraints excluded: chain C residue 1134 LEU Chi-restraints excluded: chain C residue 1139 PHE Chi-restraints excluded: chain C residue 1141 ARG Chi-restraints excluded: chain C residue 1148 VAL Chi-restraints excluded: chain C residue 1149 VAL 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 1159 THR Chi-restraints excluded: chain C residue 1164 LEU Chi-restraints excluded: chain C residue 1179 PHE Chi-restraints excluded: chain C residue 1184 ILE Chi-restraints excluded: chain C residue 1191 VAL Chi-restraints excluded: chain C residue 1193 SER Chi-restraints excluded: chain C residue 1198 GLN Chi-restraints excluded: chain C residue 1201 HIS 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 1210 SER Chi-restraints excluded: chain C residue 1214 PHE Chi-restraints excluded: chain C residue 1230 MET Chi-restraints excluded: chain C residue 1234 VAL Chi-restraints excluded: chain C residue 1235 THR Chi-restraints excluded: chain C residue 1238 PHE Chi-restraints excluded: chain C residue 1239 SER Chi-restraints excluded: chain C residue 1241 SER Chi-restraints excluded: chain C residue 1242 LEU Chi-restraints excluded: chain C residue 1255 TYR Chi-restraints excluded: chain C residue 1260 MET Chi-restraints excluded: chain C residue 1266 THR Chi-restraints excluded: chain C residue 1274 HIS Chi-restraints excluded: chain C residue 1574 PRO 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 1608 MET Chi-restraints excluded: chain C residue 1612 PHE Chi-restraints excluded: chain C residue 1630 CYS Chi-restraints excluded: chain C residue 1635 THR Chi-restraints excluded: chain C residue 1637 MET Chi-restraints excluded: chain C residue 1639 LEU Chi-restraints excluded: chain C residue 1647 CYS Chi-restraints excluded: chain C residue 1648 MET Chi-restraints excluded: chain C residue 1652 GLU Chi-restraints excluded: chain C residue 1653 LEU Chi-restraints excluded: chain C residue 1655 GLU Chi-restraints excluded: chain C residue 1656 ARG Chi-restraints excluded: chain C residue 1664 SER Chi-restraints excluded: chain C residue 1666 THR Chi-restraints excluded: chain C residue 1681 VAL Chi-restraints excluded: chain C residue 1687 SER Chi-restraints excluded: chain C residue 1695 LEU Chi-restraints excluded: chain C residue 1700 ASP Chi-restraints excluded: chain C residue 1702 HIS Chi-restraints excluded: chain C residue 1703 LEU Chi-restraints excluded: chain C residue 1706 PRO Chi-restraints excluded: chain C residue 1714 LEU Chi-restraints excluded: chain C residue 1716 ILE Chi-restraints excluded: chain C residue 1717 SER Chi-restraints excluded: chain C residue 1720 LEU Chi-restraints excluded: chain C residue 1721 GLU Chi-restraints excluded: chain C residue 1724 CYS Chi-restraints excluded: chain C residue 1730 MET Chi-restraints excluded: chain C residue 1731 LEU Chi-restraints excluded: chain C residue 1734 TYR Chi-restraints excluded: chain C residue 1736 VAL Chi-restraints excluded: chain C residue 1739 THR Chi-restraints excluded: chain C residue 1742 THR Chi-restraints excluded: chain C residue 1745 ILE Chi-restraints excluded: chain C residue 1769 THR Chi-restraints excluded: chain C residue 1770 SER Chi-restraints excluded: chain C residue 1786 LEU Chi-restraints excluded: chain C residue 1798 LEU Chi-restraints excluded: chain C residue 1802 ILE Chi-restraints excluded: chain C residue 1813 ARG Chi-restraints excluded: chain C residue 1830 VAL Chi-restraints excluded: chain C residue 1833 SER Chi-restraints excluded: chain C residue 1834 VAL Chi-restraints excluded: chain C residue 1845 VAL Chi-restraints excluded: chain C residue 1847 THR Chi-restraints excluded: chain C residue 1850 VAL Chi-restraints excluded: chain C residue 1865 MET Chi-restraints excluded: chain C residue 1935 VAL Chi-restraints excluded: chain C residue 1947 CYS Chi-restraints excluded: chain C residue 1950 GLU Chi-restraints excluded: chain C residue 1953 HIS Chi-restraints excluded: chain C residue 1955 VAL Chi-restraints excluded: chain C residue 1963 GLU Chi-restraints excluded: chain C residue 1969 LEU Chi-restraints excluded: chain C residue 1973 GLN Chi-restraints excluded: chain C residue 1980 LEU Chi-restraints excluded: chain C residue 2006 ILE Chi-restraints excluded: chain C residue 2010 LEU Chi-restraints excluded: chain C residue 2011 HIS Chi-restraints excluded: chain C residue 2031 LEU Chi-restraints excluded: chain C residue 2039 LEU Chi-restraints excluded: chain C residue 2041 HIS Chi-restraints excluded: chain C residue 2097 LEU Chi-restraints excluded: chain C residue 2098 VAL Chi-restraints excluded: chain C residue 2099 SER Chi-restraints excluded: chain C residue 2117 VAL Chi-restraints excluded: chain C residue 2122 SER Chi-restraints excluded: chain C residue 2126 ARG Chi-restraints excluded: chain C residue 2148 SER Chi-restraints excluded: chain C residue 2152 THR Chi-restraints excluded: chain C residue 2164 SER Chi-restraints excluded: chain C residue 2166 LEU Chi-restraints excluded: chain C residue 2167 ILE Chi-restraints excluded: chain C residue 2172 PRO Chi-restraints excluded: chain C residue 2187 ASN Chi-restraints excluded: chain C residue 2191 PHE Chi-restraints excluded: chain C residue 2192 TYR Chi-restraints excluded: chain C residue 2194 HIS Chi-restraints excluded: chain C residue 2210 VAL Chi-restraints excluded: chain C residue 2215 LEU Chi-restraints excluded: chain C residue 2223 ILE Chi-restraints excluded: chain C residue 2229 VAL Chi-restraints excluded: chain C residue 2240 CYS Chi-restraints excluded: chain C residue 2245 GLN Chi-restraints excluded: chain C residue 2246 ASN Chi-restraints excluded: chain C residue 2249 SER Chi-restraints excluded: chain C residue 2253 HIS Chi-restraints excluded: chain C residue 2273 LEU Chi-restraints excluded: chain C residue 2274 ASP Chi-restraints excluded: chain C residue 2275 VAL Chi-restraints excluded: chain C residue 2279 SER Chi-restraints excluded: chain C residue 2281 ILE Chi-restraints excluded: chain C residue 2286 LEU Chi-restraints excluded: chain C residue 2290 LEU Chi-restraints excluded: chain C residue 2299 VAL Chi-restraints excluded: chain C residue 2300 SER Chi-restraints excluded: chain C residue 2301 TYR Chi-restraints excluded: chain C residue 2302 LEU Chi-restraints excluded: chain C residue 2336 ARG Chi-restraints excluded: chain C residue 2341 VAL Chi-restraints excluded: chain C residue 2364 PHE Chi-restraints excluded: chain C residue 2420 HIS Chi-restraints excluded: chain C residue 2438 PRO Chi-restraints excluded: chain C residue 2442 LEU Chi-restraints excluded: chain C residue 2443 ILE Chi-restraints excluded: chain C residue 2449 GLU Chi-restraints excluded: chain C residue 2451 LEU Chi-restraints excluded: chain C residue 2456 ILE Chi-restraints excluded: chain C residue 2457 LEU Chi-restraints excluded: chain C residue 2458 ARG Chi-restraints excluded: chain C residue 2460 LEU Chi-restraints excluded: chain C residue 2752 ASP Chi-restraints excluded: chain C residue 2761 TYR Chi-restraints excluded: chain C residue 2762 THR Chi-restraints excluded: chain C residue 2777 TYR Chi-restraints excluded: chain C residue 2779 GLU Chi-restraints excluded: chain C residue 2807 TRP Chi-restraints excluded: chain C residue 2811 GLU Chi-restraints excluded: chain C residue 2869 ARG Chi-restraints excluded: chain C residue 2872 GLN Chi-restraints excluded: chain C residue 2882 TYR Chi-restraints excluded: chain C residue 2883 HIS Chi-restraints excluded: chain C residue 2884 ASN Chi-restraints excluded: chain C residue 2889 LYS Chi-restraints excluded: chain C residue 2892 GLN Chi-restraints excluded: chain C residue 2894 LEU Chi-restraints excluded: chain C residue 2895 GLU Chi-restraints excluded: chain C residue 2901 THR Chi-restraints excluded: chain C residue 2906 VAL Chi-restraints excluded: chain C residue 2908 TYR Chi-restraints excluded: chain C residue 2927 LEU Chi-restraints excluded: chain C residue 2932 MET Chi-restraints excluded: chain C residue 3642 TYR Chi-restraints excluded: chain C residue 3647 HIS Chi-restraints excluded: chain C residue 3648 ARG Chi-restraints excluded: chain C residue 3656 SER Chi-restraints excluded: chain C residue 3657 TYR Chi-restraints excluded: chain C residue 3658 LYS Chi-restraints excluded: chain C residue 3661 TRP Chi-restraints excluded: chain C residue 3663 LEU Chi-restraints excluded: chain C residue 3669 PHE Chi-restraints excluded: chain C residue 3670 GLU Chi-restraints excluded: chain C residue 3671 ASP Chi-restraints excluded: chain C residue 3674 ILE Chi-restraints excluded: chain C residue 3678 SER Chi-restraints excluded: chain C residue 3696 ASP Chi-restraints excluded: chain C residue 3708 THR Chi-restraints excluded: chain C residue 3710 LEU Chi-restraints excluded: chain C residue 3711 THR Chi-restraints excluded: chain C residue 3712 GLU Chi-restraints excluded: chain C residue 3727 ASP Chi-restraints excluded: chain C residue 3733 CYS Chi-restraints excluded: chain C residue 3751 VAL Chi-restraints excluded: chain C residue 3753 PHE Chi-restraints excluded: chain C residue 3761 GLN Chi-restraints excluded: chain C residue 3762 ARG Chi-restraints excluded: chain C residue 3764 LEU Chi-restraints excluded: chain C residue 3790 THR Chi-restraints excluded: chain C residue 3795 SER Chi-restraints excluded: chain C residue 3803 SER Chi-restraints excluded: chain C residue 3804 ILE Chi-restraints excluded: chain C residue 3805 LEU Chi-restraints excluded: chain C residue 3809 ASN Chi-restraints excluded: chain C residue 3822 ASP Chi-restraints excluded: chain C residue 3825 GLU Chi-restraints excluded: chain C residue 3830 GLN Chi-restraints excluded: chain C residue 3832 ILE Chi-restraints excluded: chain C residue 3835 LEU Chi-restraints excluded: chain C residue 3836 MET Chi-restraints excluded: chain C residue 3838 THR Chi-restraints excluded: chain C residue 3886 ARG Chi-restraints excluded: chain C residue 3890 LEU Chi-restraints excluded: chain C residue 3892 CYS Chi-restraints excluded: chain C residue 3899 PHE Chi-restraints excluded: chain C residue 3905 THR Chi-restraints excluded: chain C residue 3907 THR Chi-restraints excluded: chain C residue 3910 THR Chi-restraints excluded: chain C residue 3911 THR Chi-restraints excluded: chain C residue 3913 ILE Chi-restraints excluded: chain C residue 3919 THR Chi-restraints excluded: chain C residue 3920 VAL Chi-restraints excluded: chain C residue 3930 ILE Chi-restraints excluded: chain C residue 3938 SER Chi-restraints excluded: chain C residue 3950 ASN Chi-restraints excluded: chain C residue 3952 SER Chi-restraints excluded: chain C residue 3964 SER Chi-restraints excluded: chain C residue 3966 THR Chi-restraints excluded: chain C residue 3973 CYS Chi-restraints excluded: chain C residue 3974 THR Chi-restraints excluded: chain C residue 3979 SER Chi-restraints excluded: chain C residue 3980 LEU Chi-restraints excluded: chain C residue 4001 MET Chi-restraints excluded: chain C residue 4021 LYS Chi-restraints excluded: chain C residue 4039 MET Chi-restraints excluded: chain C residue 4040 ILE Chi-restraints excluded: chain C residue 4044 MET Chi-restraints excluded: chain C residue 4053 SER Chi-restraints excluded: chain C residue 4054 ASN Chi-restraints excluded: chain C residue 4066 LEU Chi-restraints excluded: chain C residue 4072 VAL Chi-restraints excluded: chain C residue 4078 GLN Chi-restraints excluded: chain C residue 4081 VAL 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 4092 ASP Chi-restraints excluded: chain C residue 4097 MET Chi-restraints excluded: chain C residue 4098 ASP Chi-restraints excluded: chain C residue 4102 GLN Chi-restraints excluded: chain C residue 4104 THR Chi-restraints excluded: chain C residue 4108 ILE Chi-restraints excluded: chain C residue 4113 SER Chi-restraints excluded: chain C residue 4115 SER Chi-restraints excluded: chain C residue 4116 GLU Chi-restraints excluded: chain C residue 4118 ASP Chi-restraints excluded: chain C residue 4119 GLU 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 4132 PHE Chi-restraints excluded: chain C residue 4142 ASN Chi-restraints excluded: chain C residue 4151 SER Chi-restraints excluded: chain C residue 4161 ARG Chi-restraints excluded: chain C residue 4166 LEU Chi-restraints excluded: chain C residue 4168 GLU Chi-restraints excluded: chain C residue 4170 ILE Chi-restraints excluded: chain C residue 4180 ARG Chi-restraints excluded: chain C residue 4182 GLU Chi-restraints excluded: chain C residue 4187 SER Chi-restraints excluded: chain C residue 4192 ARG Chi-restraints excluded: chain C residue 4197 ILE Chi-restraints excluded: chain C residue 4199 GLU Chi-restraints excluded: chain C residue 4205 TRP Chi-restraints excluded: chain C residue 4213 SER Chi-restraints excluded: chain C residue 4217 PHE Chi-restraints excluded: chain C residue 4221 VAL Chi-restraints excluded: chain C residue 4241 THR Chi-restraints excluded: chain C residue 4246 GLN Chi-restraints excluded: chain C residue 4251 ILE Chi-restraints excluded: chain C residue 4549 VAL Chi-restraints excluded: chain C residue 4552 LEU Chi-restraints excluded: chain C residue 4553 ASN Chi-restraints excluded: chain C residue 4556 SER Chi-restraints excluded: chain C residue 4561 THR Chi-restraints excluded: chain C residue 4562 LEU Chi-restraints excluded: chain C residue 4569 LEU Chi-restraints excluded: chain C residue 4573 ILE Chi-restraints excluded: chain C residue 4574 ASN Chi-restraints excluded: chain C residue 4580 TYR Chi-restraints excluded: chain C residue 4584 ASP Chi-restraints excluded: chain C residue 4628 VAL Chi-restraints excluded: chain C residue 4631 PHE Chi-restraints excluded: chain C residue 4634 GLU Chi-restraints excluded: chain C residue 4636 THR Chi-restraints excluded: chain C residue 4638 TYR Chi-restraints excluded: chain C residue 4639 MET Chi-restraints excluded: chain C residue 4643 LEU Chi-restraints excluded: chain C residue 4648 LEU Chi-restraints excluded: chain C residue 4651 THR Chi-restraints excluded: chain C residue 4676 GLU Chi-restraints excluded: chain C residue 4688 ILE Chi-restraints excluded: chain C residue 4694 ASP Chi-restraints excluded: chain C residue 4695 ASP Chi-restraints excluded: chain C residue 4724 VAL Chi-restraints excluded: chain C residue 4728 HIS Chi-restraints excluded: chain C residue 4736 ARG Chi-restraints excluded: chain C residue 4741 LEU Chi-restraints excluded: chain C residue 4743 MET Chi-restraints excluded: chain C residue 4744 ASP Chi-restraints excluded: chain C residue 4751 THR Chi-restraints excluded: chain C residue 4765 LEU Chi-restraints excluded: chain C residue 4768 LEU Chi-restraints excluded: chain C residue 4770 SER Chi-restraints excluded: chain C residue 4782 VAL Chi-restraints excluded: chain C residue 4788 SER Chi-restraints excluded: chain C residue 4797 VAL Chi-restraints excluded: chain C residue 4799 SER Chi-restraints excluded: chain C residue 4804 TYR Chi-restraints excluded: chain C residue 4816 ILE Chi-restraints excluded: chain C residue 4818 MET Chi-restraints excluded: chain C residue 4822 THR Chi-restraints excluded: chain C residue 4828 SER Chi-restraints excluded: chain C residue 4831 THR Chi-restraints excluded: chain C residue 4840 THR Chi-restraints excluded: chain C residue 4852 THR Chi-restraints excluded: chain C residue 4856 PHE Chi-restraints excluded: chain C residue 4858 PHE Chi-restraints excluded: chain C residue 4861 LYS Chi-restraints excluded: chain C residue 4865 LYS Chi-restraints excluded: chain C residue 4870 ASP Chi-restraints excluded: chain C residue 4873 ASP Chi-restraints excluded: chain C residue 4879 MET Chi-restraints excluded: chain C residue 4881 THR Chi-restraints excluded: chain C residue 4884 LEU Chi-restraints excluded: chain C residue 4887 MET Chi-restraints excluded: chain C residue 4888 TYR Chi-restraints excluded: chain C residue 4891 VAL Chi-restraints excluded: chain C residue 4892 ARG Chi-restraints excluded: chain C residue 4910 GLU Chi-restraints excluded: chain C residue 4913 ARG Chi-restraints excluded: chain C residue 4915 VAL Chi-restraints excluded: chain C residue 4916 PHE Chi-restraints excluded: chain C residue 4917 ASP Chi-restraints excluded: chain C residue 4919 THR Chi-restraints excluded: chain C residue 4925 ILE Chi-restraints excluded: chain C residue 4928 LEU Chi-restraints excluded: chain C residue 4937 ILE Chi-restraints excluded: chain C residue 4938 ASP Chi-restraints excluded: chain C residue 4943 LEU Chi-restraints excluded: chain C residue 4947 GLN Chi-restraints excluded: chain C residue 4950 VAL Chi-restraints excluded: chain C residue 4952 GLU Chi-restraints excluded: chain C residue 4953 ASP 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 4963 ILE Chi-restraints excluded: chain C residue 4965 SER Chi-restraints excluded: chain C residue 4967 TYR Chi-restraints excluded: chain C residue 4970 THR Chi-restraints excluded: chain C residue 4977 THR Chi-restraints excluded: chain C residue 4979 THR Chi-restraints excluded: chain C residue 4983 HIS Chi-restraints excluded: chain C residue 4985 LEU Chi-restraints excluded: chain C residue 4989 MET Chi-restraints excluded: chain C residue 4997 ASN Chi-restraints excluded: chain C residue 5001 THR Chi-restraints excluded: chain C residue 5008 SER Chi-restraints excluded: chain C residue 5018 CYS Chi-restraints excluded: chain C residue 5020 ASP Chi-restraints excluded: chain C residue 5021 PHE Chi-restraints excluded: chain C residue 5030 LYS Chi-restraints excluded: chain C residue 5034 ASP Chi-restraints excluded: chain C residue 5036 LEU Chi-restraints excluded: chain C residue 5037 SER Chi-restraints excluded: chain D residue 17 ASP Chi-restraints excluded: chain D residue 20 VAL Chi-restraints excluded: chain D residue 21 VAL Chi-restraints excluded: chain D residue 24 CYS Chi-restraints excluded: chain D residue 37 LEU Chi-restraints excluded: chain D residue 49 LEU Chi-restraints excluded: chain D residue 57 ASN Chi-restraints excluded: chain D residue 58 VAL Chi-restraints excluded: chain D residue 64 ILE Chi-restraints excluded: chain D residue 68 THR Chi-restraints excluded: chain D residue 69 LEU Chi-restraints excluded: chain D residue 74 SER Chi-restraints excluded: chain D residue 75 VAL Chi-restraints excluded: chain D residue 80 GLU Chi-restraints excluded: chain D residue 81 MET Chi-restraints excluded: chain D residue 107 ILE Chi-restraints excluded: chain D residue 109 LEU Chi-restraints excluded: chain D residue 114 SER Chi-restraints excluded: chain D residue 119 SER Chi-restraints excluded: chain D residue 131 LEU Chi-restraints excluded: chain D residue 138 GLN Chi-restraints excluded: chain D residue 144 GLU Chi-restraints excluded: chain D residue 149 THR Chi-restraints excluded: chain D residue 154 SER Chi-restraints excluded: chain D residue 159 GLU Chi-restraints excluded: chain D residue 161 GLU Chi-restraints excluded: chain D residue 164 ARG Chi-restraints excluded: chain D residue 167 ASP Chi-restraints excluded: chain D residue 173 SER Chi-restraints excluded: chain D residue 174 VAL Chi-restraints excluded: chain D residue 177 GLU Chi-restraints excluded: chain D residue 192 ASP Chi-restraints excluded: chain D residue 194 SER Chi-restraints excluded: chain D residue 206 CYS Chi-restraints excluded: chain D residue 211 GLU Chi-restraints excluded: chain D residue 215 THR Chi-restraints excluded: chain D residue 219 VAL Chi-restraints excluded: chain D residue 222 LEU Chi-restraints excluded: chain D residue 229 GLU Chi-restraints excluded: chain D residue 232 THR Chi-restraints excluded: chain D residue 240 ASP Chi-restraints excluded: chain D residue 243 ARG Chi-restraints excluded: chain D residue 258 SER Chi-restraints excluded: chain D residue 260 TRP Chi-restraints excluded: chain D residue 262 LEU Chi-restraints excluded: chain D residue 267 ILE Chi-restraints excluded: chain D residue 275 ARG 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 287 THR Chi-restraints excluded: chain D residue 299 LEU Chi-restraints excluded: chain D residue 300 VAL Chi-restraints excluded: chain D residue 303 ASP Chi-restraints excluded: chain D residue 312 THR Chi-restraints excluded: chain D residue 313 SER Chi-restraints excluded: chain D residue 318 VAL Chi-restraints excluded: chain D residue 343 GLU Chi-restraints excluded: chain D residue 345 LEU Chi-restraints excluded: chain D residue 348 VAL Chi-restraints excluded: chain D residue 357 LEU Chi-restraints excluded: chain D residue 359 TYR Chi-restraints excluded: chain D residue 373 LYS Chi-restraints excluded: chain D residue 389 PHE Chi-restraints excluded: chain D residue 390 LEU Chi-restraints excluded: chain D residue 396 GLU Chi-restraints excluded: chain D residue 407 THR Chi-restraints excluded: chain D residue 419 ASP Chi-restraints excluded: chain D residue 422 SER Chi-restraints excluded: chain D residue 424 LYS Chi-restraints excluded: chain D residue 436 LEU Chi-restraints excluded: chain D residue 444 SER Chi-restraints excluded: chain D residue 453 GLU Chi-restraints excluded: chain D residue 455 PRO Chi-restraints excluded: chain D residue 456 SER Chi-restraints excluded: chain D residue 457 GLU Chi-restraints excluded: chain D residue 459 LEU Chi-restraints excluded: chain D residue 469 ARG Chi-restraints excluded: chain D residue 470 SER Chi-restraints excluded: chain D residue 472 ARG Chi-restraints excluded: chain D residue 477 LEU Chi-restraints excluded: chain D residue 478 PHE Chi-restraints excluded: chain D residue 487 VAL Chi-restraints excluded: chain D residue 488 LEU Chi-restraints excluded: chain D residue 494 LEU Chi-restraints excluded: chain D residue 497 TYR Chi-restraints excluded: chain D residue 499 THR Chi-restraints excluded: chain D residue 503 PHE Chi-restraints excluded: chain D residue 510 GLU Chi-restraints excluded: chain D residue 514 SER Chi-restraints excluded: chain D residue 517 GLU Chi-restraints excluded: chain D residue 519 VAL Chi-restraints excluded: chain D residue 526 LEU Chi-restraints excluded: chain D residue 534 ARG Chi-restraints excluded: chain D residue 537 CYS Chi-restraints excluded: chain D residue 542 THR 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 557 SER Chi-restraints excluded: chain D residue 566 CYS Chi-restraints excluded: chain D residue 570 GLU Chi-restraints excluded: chain D residue 572 PRO Chi-restraints excluded: chain D residue 578 ILE Chi-restraints excluded: chain D residue 581 ASN Chi-restraints excluded: chain D residue 587 ILE Chi-restraints excluded: chain D residue 600 LEU Chi-restraints excluded: chain D residue 608 VAL Chi-restraints excluded: chain D residue 612 VAL Chi-restraints excluded: chain D residue 614 VAL Chi-restraints excluded: chain D residue 616 SER Chi-restraints excluded: chain D residue 621 ILE Chi-restraints excluded: chain D residue 622 THR Chi-restraints excluded: chain D residue 624 ASN Chi-restraints excluded: chain D residue 634 GLN Chi-restraints excluded: chain D residue 637 LEU Chi-restraints excluded: chain D residue 641 VAL Chi-restraints excluded: chain D residue 643 SER Chi-restraints excluded: chain D residue 648 ILE Chi-restraints excluded: chain D residue 650 VAL Chi-restraints excluded: chain D residue 659 TYR Chi-restraints excluded: chain D residue 662 TRP Chi-restraints excluded: chain D residue 663 TYR Chi-restraints excluded: chain D residue 668 VAL Chi-restraints excluded: chain D residue 669 ASP Chi-restraints excluded: chain D residue 671 VAL Chi-restraints excluded: chain D residue 680 THR Chi-restraints excluded: chain D residue 684 VAL Chi-restraints excluded: chain D residue 692 TYR Chi-restraints excluded: chain D residue 700 GLU Chi-restraints excluded: chain D residue 707 VAL Chi-restraints excluded: chain D residue 710 ASP Chi-restraints excluded: chain D residue 716 PHE Chi-restraints excluded: chain D residue 719 LEU Chi-restraints excluded: chain D residue 720 HIS Chi-restraints excluded: chain D residue 726 VAL Chi-restraints excluded: chain D residue 730 VAL Chi-restraints excluded: chain D residue 737 LEU Chi-restraints excluded: chain D residue 744 VAL Chi-restraints excluded: chain D residue 752 VAL Chi-restraints excluded: chain D residue 754 SER Chi-restraints excluded: chain D residue 776 LEU Chi-restraints excluded: chain D residue 780 VAL Chi-restraints excluded: chain D residue 784 SER Chi-restraints excluded: chain D residue 787 VAL Chi-restraints excluded: chain D residue 788 LYS Chi-restraints excluded: chain D residue 791 PHE Chi-restraints excluded: chain D residue 796 ARG Chi-restraints excluded: chain D residue 803 LEU Chi-restraints excluded: chain D residue 812 HIS Chi-restraints excluded: chain D residue 831 ARG Chi-restraints excluded: chain D residue 835 ARG Chi-restraints excluded: chain D residue 840 VAL Chi-restraints excluded: chain D residue 850 ASP Chi-restraints excluded: chain D residue 866 HIS Chi-restraints excluded: chain D residue 867 LEU Chi-restraints excluded: chain D residue 868 GLU Chi-restraints excluded: chain D residue 869 ARG Chi-restraints excluded: chain D residue 870 ILE Chi-restraints excluded: chain D residue 884 LEU Chi-restraints excluded: chain D residue 891 TRP Chi-restraints excluded: chain D residue 893 TYR Chi-restraints excluded: chain D residue 907 LEU Chi-restraints excluded: chain D residue 931 THR Chi-restraints excluded: chain D residue 944 GLU Chi-restraints excluded: chain D residue 974 HIS Chi-restraints excluded: chain D residue 978 THR Chi-restraints excluded: chain D residue 1037 ASP Chi-restraints excluded: chain D residue 1044 ARG Chi-restraints excluded: chain D residue 1079 LYS Chi-restraints excluded: chain D residue 1080 SER Chi-restraints excluded: chain D residue 1082 THR Chi-restraints excluded: chain D residue 1083 VAL Chi-restraints excluded: chain D residue 1102 VAL Chi-restraints excluded: chain D residue 1110 ARG Chi-restraints excluded: chain D residue 1112 ASP Chi-restraints excluded: chain D residue 1113 VAL Chi-restraints excluded: chain D residue 1120 LEU Chi-restraints excluded: chain D residue 1123 VAL Chi-restraints excluded: chain D residue 1133 HIS Chi-restraints excluded: chain D residue 1134 LEU Chi-restraints excluded: chain D residue 1139 PHE Chi-restraints excluded: chain D residue 1141 ARG Chi-restraints excluded: chain D residue 1148 VAL Chi-restraints excluded: chain D residue 1149 VAL 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 1159 THR Chi-restraints excluded: chain D residue 1164 LEU Chi-restraints excluded: chain D residue 1179 PHE Chi-restraints excluded: chain D residue 1184 ILE Chi-restraints excluded: chain D residue 1191 VAL Chi-restraints excluded: chain D residue 1193 SER Chi-restraints excluded: chain D residue 1198 GLN Chi-restraints excluded: chain D residue 1201 HIS 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 1210 SER Chi-restraints excluded: chain D residue 1214 PHE Chi-restraints excluded: chain D residue 1230 MET Chi-restraints excluded: chain D residue 1234 VAL Chi-restraints excluded: chain D residue 1238 PHE Chi-restraints excluded: chain D residue 1239 SER Chi-restraints excluded: chain D residue 1241 SER Chi-restraints excluded: chain D residue 1242 LEU Chi-restraints excluded: chain D residue 1255 TYR Chi-restraints excluded: chain D residue 1260 MET Chi-restraints excluded: chain D residue 1266 THR Chi-restraints excluded: chain D residue 1274 HIS Chi-restraints excluded: chain D residue 1574 PRO 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 1608 MET Chi-restraints excluded: chain D residue 1612 PHE Chi-restraints excluded: chain D residue 1630 CYS Chi-restraints excluded: chain D residue 1635 THR Chi-restraints excluded: chain D residue 1637 MET Chi-restraints excluded: chain D residue 1639 LEU Chi-restraints excluded: chain D residue 1647 CYS Chi-restraints excluded: chain D residue 1648 MET Chi-restraints excluded: chain D residue 1652 GLU Chi-restraints excluded: chain D residue 1653 LEU Chi-restraints excluded: chain D residue 1654 SER Chi-restraints excluded: chain D residue 1655 GLU Chi-restraints excluded: chain D residue 1657 LEU Chi-restraints excluded: chain D residue 1664 SER Chi-restraints excluded: chain D residue 1666 THR Chi-restraints excluded: chain D residue 1681 VAL Chi-restraints excluded: chain D residue 1687 SER Chi-restraints excluded: chain D residue 1695 LEU Chi-restraints excluded: chain D residue 1700 ASP Chi-restraints excluded: chain D residue 1702 HIS Chi-restraints excluded: chain D residue 1703 LEU Chi-restraints excluded: chain D residue 1706 PRO Chi-restraints excluded: chain D residue 1714 LEU Chi-restraints excluded: chain D residue 1716 ILE Chi-restraints excluded: chain D residue 1717 SER Chi-restraints excluded: chain D residue 1720 LEU Chi-restraints excluded: chain D residue 1721 GLU Chi-restraints excluded: chain D residue 1724 CYS Chi-restraints excluded: chain D residue 1730 MET Chi-restraints excluded: chain D residue 1731 LEU Chi-restraints excluded: chain D residue 1734 TYR Chi-restraints excluded: chain D residue 1736 VAL Chi-restraints excluded: chain D residue 1739 THR Chi-restraints excluded: chain D residue 1742 THR Chi-restraints excluded: chain D residue 1745 ILE Chi-restraints excluded: chain D residue 1769 THR Chi-restraints excluded: chain D residue 1770 SER Chi-restraints excluded: chain D residue 1778 SER Chi-restraints excluded: chain D residue 1781 CYS Chi-restraints excluded: chain D residue 1802 ILE Chi-restraints excluded: chain D residue 1808 ARG Chi-restraints excluded: chain D residue 1813 ARG Chi-restraints excluded: chain D residue 1830 VAL Chi-restraints excluded: chain D residue 1833 SER Chi-restraints excluded: chain D residue 1834 VAL Chi-restraints excluded: chain D residue 1845 VAL Chi-restraints excluded: chain D residue 1847 THR Chi-restraints excluded: chain D residue 1850 VAL Chi-restraints excluded: chain D residue 1865 MET Chi-restraints excluded: chain D residue 1935 VAL Chi-restraints excluded: chain D residue 1947 CYS Chi-restraints excluded: chain D residue 1953 HIS Chi-restraints excluded: chain D residue 1955 VAL Chi-restraints excluded: chain D residue 1963 GLU Chi-restraints excluded: chain D residue 1965 TYR Chi-restraints excluded: chain D residue 1969 LEU Chi-restraints excluded: chain D residue 1973 GLN Chi-restraints excluded: chain D residue 1980 LEU Chi-restraints excluded: chain D residue 2006 ILE Chi-restraints excluded: chain D residue 2010 LEU Chi-restraints excluded: chain D residue 2011 HIS Chi-restraints excluded: chain D residue 2028 ARG Chi-restraints excluded: chain D residue 2039 LEU Chi-restraints excluded: chain D residue 2041 HIS Chi-restraints excluded: chain D residue 2097 LEU Chi-restraints excluded: chain D residue 2098 VAL Chi-restraints excluded: chain D residue 2099 SER Chi-restraints excluded: chain D residue 2103 VAL Chi-restraints excluded: chain D residue 2117 VAL Chi-restraints excluded: chain D residue 2122 SER Chi-restraints excluded: chain D residue 2126 ARG Chi-restraints excluded: chain D residue 2128 TYR Chi-restraints excluded: chain D residue 2140 ARG Chi-restraints excluded: chain D residue 2148 SER Chi-restraints excluded: chain D residue 2152 THR Chi-restraints excluded: chain D residue 2162 ILE Chi-restraints excluded: chain D residue 2164 SER Chi-restraints excluded: chain D residue 2166 LEU Chi-restraints excluded: chain D residue 2167 ILE Chi-restraints excluded: chain D residue 2172 PRO Chi-restraints excluded: chain D residue 2187 ASN Chi-restraints excluded: chain D residue 2191 PHE Chi-restraints excluded: chain D residue 2192 TYR Chi-restraints excluded: chain D residue 2194 HIS Chi-restraints excluded: chain D residue 2203 MET Chi-restraints excluded: chain D residue 2210 VAL Chi-restraints excluded: chain D residue 2215 LEU Chi-restraints excluded: chain D residue 2223 ILE Chi-restraints excluded: chain D residue 2229 VAL Chi-restraints excluded: chain D residue 2240 CYS Chi-restraints excluded: chain D residue 2245 GLN Chi-restraints excluded: chain D residue 2246 ASN Chi-restraints excluded: chain D residue 2249 SER Chi-restraints excluded: chain D residue 2253 HIS Chi-restraints excluded: chain D residue 2273 LEU Chi-restraints excluded: chain D residue 2274 ASP Chi-restraints excluded: chain D residue 2279 SER Chi-restraints excluded: chain D residue 2281 ILE Chi-restraints excluded: chain D residue 2286 LEU Chi-restraints excluded: chain D residue 2291 GLN Chi-restraints excluded: chain D residue 2299 VAL Chi-restraints excluded: chain D residue 2300 SER Chi-restraints excluded: chain D residue 2301 TYR Chi-restraints excluded: chain D residue 2302 LEU Chi-restraints excluded: chain D residue 2319 PRO Chi-restraints excluded: chain D residue 2336 ARG Chi-restraints excluded: chain D residue 2341 VAL Chi-restraints excluded: chain D residue 2364 PHE Chi-restraints excluded: chain D residue 2420 HIS Chi-restraints excluded: chain D residue 2438 PRO Chi-restraints excluded: chain D residue 2442 LEU Chi-restraints excluded: chain D residue 2443 ILE Chi-restraints excluded: chain D residue 2449 GLU Chi-restraints excluded: chain D residue 2451 LEU Chi-restraints excluded: chain D residue 2456 ILE Chi-restraints excluded: chain D residue 2457 LEU Chi-restraints excluded: chain D residue 2458 ARG Chi-restraints excluded: chain D residue 2460 LEU Chi-restraints excluded: chain D residue 2752 ASP Chi-restraints excluded: chain D residue 2761 TYR Chi-restraints excluded: chain D residue 2762 THR Chi-restraints excluded: chain D residue 2779 GLU Chi-restraints excluded: chain D residue 2807 TRP Chi-restraints excluded: chain D residue 2811 GLU Chi-restraints excluded: chain D residue 2882 TYR Chi-restraints excluded: chain D residue 2883 HIS Chi-restraints excluded: chain D residue 2892 GLN Chi-restraints excluded: chain D residue 2894 LEU Chi-restraints excluded: chain D residue 2895 GLU Chi-restraints excluded: chain D residue 2901 THR Chi-restraints excluded: chain D residue 2904 LEU Chi-restraints excluded: chain D residue 2908 TYR Chi-restraints excluded: chain D residue 2912 THR Chi-restraints excluded: chain D residue 2921 GLU Chi-restraints excluded: chain D residue 2927 LEU Chi-restraints excluded: chain D residue 2932 MET Chi-restraints excluded: chain D residue 3642 TYR Chi-restraints excluded: chain D residue 3647 HIS Chi-restraints excluded: chain D residue 3648 ARG Chi-restraints excluded: chain D residue 3656 SER Chi-restraints excluded: chain D residue 3657 TYR Chi-restraints excluded: chain D residue 3658 LYS Chi-restraints excluded: chain D residue 3661 TRP Chi-restraints excluded: chain D residue 3663 LEU Chi-restraints excluded: chain D residue 3669 PHE Chi-restraints excluded: chain D residue 3671 ASP Chi-restraints excluded: chain D residue 3674 ILE Chi-restraints excluded: chain D residue 3677 LEU Chi-restraints excluded: chain D residue 3678 SER Chi-restraints excluded: chain D residue 3696 ASP Chi-restraints excluded: chain D residue 3703 LEU Chi-restraints excluded: chain D residue 3708 THR Chi-restraints excluded: chain D residue 3710 LEU Chi-restraints excluded: chain D residue 3711 THR Chi-restraints excluded: chain D residue 3712 GLU Chi-restraints excluded: chain D residue 3727 ASP Chi-restraints excluded: chain D residue 3733 CYS Chi-restraints excluded: chain D residue 3751 VAL Chi-restraints excluded: chain D residue 3753 PHE Chi-restraints excluded: chain D residue 3761 GLN Chi-restraints excluded: chain D residue 3762 ARG Chi-restraints excluded: chain D residue 3764 LEU Chi-restraints excluded: chain D residue 3783 ILE Chi-restraints excluded: chain D residue 3790 THR Chi-restraints excluded: chain D residue 3794 VAL Chi-restraints excluded: chain D residue 3795 SER Chi-restraints excluded: chain D residue 3803 SER Chi-restraints excluded: chain D residue 3804 ILE Chi-restraints excluded: chain D residue 3805 LEU Chi-restraints excluded: chain D residue 3809 ASN Chi-restraints excluded: chain D residue 3822 ASP Chi-restraints excluded: chain D residue 3825 GLU Chi-restraints excluded: chain D residue 3830 GLN Chi-restraints excluded: chain D residue 3832 ILE Chi-restraints excluded: chain D residue 3835 LEU Chi-restraints excluded: chain D residue 3836 MET Chi-restraints excluded: chain D residue 3838 THR Chi-restraints excluded: chain D residue 3886 ARG Chi-restraints excluded: chain D residue 3890 LEU Chi-restraints excluded: chain D residue 3892 CYS Chi-restraints excluded: chain D residue 3899 PHE Chi-restraints excluded: chain D residue 3905 THR Chi-restraints excluded: chain D residue 3907 THR Chi-restraints excluded: chain D residue 3910 THR Chi-restraints excluded: chain D residue 3911 THR Chi-restraints excluded: chain D residue 3913 ILE Chi-restraints excluded: chain D residue 3920 VAL Chi-restraints excluded: chain D residue 3930 ILE Chi-restraints excluded: chain D residue 3938 SER Chi-restraints excluded: chain D residue 3950 ASN Chi-restraints excluded: chain D residue 3952 SER Chi-restraints excluded: chain D residue 3964 SER Chi-restraints excluded: chain D residue 3966 THR Chi-restraints excluded: chain D residue 3973 CYS Chi-restraints excluded: chain D residue 3974 THR Chi-restraints excluded: chain D residue 3979 SER Chi-restraints excluded: chain D residue 4001 MET Chi-restraints excluded: chain D residue 4021 LYS Chi-restraints excluded: chain D residue 4040 ILE Chi-restraints excluded: chain D residue 4045 VAL Chi-restraints excluded: chain D residue 4053 SER Chi-restraints excluded: chain D residue 4054 ASN Chi-restraints excluded: chain D residue 4066 LEU Chi-restraints excluded: chain D residue 4072 VAL Chi-restraints excluded: chain D residue 4078 GLN Chi-restraints excluded: chain D residue 4081 VAL 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 4092 ASP Chi-restraints excluded: chain D residue 4097 MET Chi-restraints excluded: chain D residue 4098 ASP Chi-restraints excluded: chain D residue 4102 GLN Chi-restraints excluded: chain D residue 4104 THR Chi-restraints excluded: chain D residue 4108 ILE Chi-restraints excluded: chain D residue 4113 SER Chi-restraints excluded: chain D residue 4115 SER Chi-restraints excluded: chain D residue 4116 GLU Chi-restraints excluded: chain D residue 4118 ASP Chi-restraints excluded: chain D residue 4119 GLU 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 4132 PHE Chi-restraints excluded: chain D residue 4142 ASN Chi-restraints excluded: chain D residue 4151 SER Chi-restraints excluded: chain D residue 4157 ASP Chi-restraints excluded: chain D residue 4161 ARG Chi-restraints excluded: chain D residue 4166 LEU Chi-restraints excluded: chain D residue 4168 GLU Chi-restraints excluded: chain D residue 4170 ILE Chi-restraints excluded: chain D residue 4182 GLU Chi-restraints excluded: chain D residue 4184 MET Chi-restraints excluded: chain D residue 4187 SER Chi-restraints excluded: chain D residue 4192 ARG Chi-restraints excluded: chain D residue 4197 ILE Chi-restraints excluded: chain D residue 4199 GLU Chi-restraints excluded: chain D residue 4205 TRP Chi-restraints excluded: chain D residue 4213 SER Chi-restraints excluded: chain D residue 4217 PHE Chi-restraints excluded: chain D residue 4221 VAL Chi-restraints excluded: chain D residue 4241 THR Chi-restraints excluded: chain D residue 4246 GLN Chi-restraints excluded: chain D residue 4251 ILE Chi-restraints excluded: chain D residue 4552 LEU Chi-restraints excluded: chain D residue 4553 ASN Chi-restraints excluded: chain D residue 4561 THR Chi-restraints excluded: chain D residue 4562 LEU Chi-restraints excluded: chain D residue 4569 LEU Chi-restraints excluded: chain D residue 4573 ILE Chi-restraints excluded: chain D residue 4574 ASN Chi-restraints excluded: chain D residue 4580 TYR Chi-restraints excluded: chain D residue 4584 ASP Chi-restraints excluded: chain D residue 4628 VAL Chi-restraints excluded: chain D residue 4631 PHE Chi-restraints excluded: chain D residue 4632 LEU Chi-restraints excluded: chain D residue 4636 THR Chi-restraints excluded: chain D residue 4638 TYR Chi-restraints excluded: chain D residue 4643 LEU Chi-restraints excluded: chain D residue 4648 LEU Chi-restraints excluded: chain D residue 4651 THR Chi-restraints excluded: chain D residue 4676 GLU Chi-restraints excluded: chain D residue 4682 GLU Chi-restraints excluded: chain D residue 4688 ILE Chi-restraints excluded: chain D residue 4694 ASP Chi-restraints excluded: chain D residue 4695 ASP Chi-restraints excluded: chain D residue 4724 VAL Chi-restraints excluded: chain D residue 4728 HIS Chi-restraints excluded: chain D residue 4736 ARG Chi-restraints excluded: chain D residue 4741 LEU Chi-restraints excluded: chain D residue 4743 MET Chi-restraints excluded: chain D residue 4744 ASP Chi-restraints excluded: chain D residue 4751 THR Chi-restraints excluded: chain D residue 4765 LEU Chi-restraints excluded: chain D residue 4768 LEU Chi-restraints excluded: chain D residue 4770 SER Chi-restraints excluded: chain D residue 4773 VAL Chi-restraints excluded: chain D residue 4782 VAL Chi-restraints excluded: chain D residue 4788 SER Chi-restraints excluded: chain D residue 4796 MET Chi-restraints excluded: chain D residue 4797 VAL Chi-restraints excluded: chain D residue 4799 SER Chi-restraints excluded: chain D residue 4804 TYR Chi-restraints excluded: chain D residue 4818 MET Chi-restraints excluded: chain D residue 4822 THR Chi-restraints excluded: chain D residue 4828 SER Chi-restraints excluded: chain D residue 4831 THR Chi-restraints excluded: chain D residue 4840 THR Chi-restraints excluded: chain D residue 4852 THR Chi-restraints excluded: chain D residue 4856 PHE Chi-restraints excluded: chain D residue 4858 PHE Chi-restraints excluded: chain D residue 4865 LYS Chi-restraints excluded: chain D residue 4870 ASP Chi-restraints excluded: chain D residue 4873 ASP Chi-restraints excluded: chain D residue 4876 CYS Chi-restraints excluded: chain D residue 4881 THR Chi-restraints excluded: chain D residue 4887 MET Chi-restraints excluded: chain D residue 4888 TYR Chi-restraints excluded: chain D residue 4891 VAL Chi-restraints excluded: chain D residue 4901 ILE Chi-restraints excluded: chain D residue 4910 GLU Chi-restraints excluded: chain D residue 4915 VAL Chi-restraints excluded: chain D residue 4916 PHE Chi-restraints excluded: chain D residue 4917 ASP Chi-restraints excluded: chain D residue 4919 THR Chi-restraints excluded: chain D residue 4925 ILE Chi-restraints excluded: chain D residue 4928 LEU Chi-restraints excluded: chain D residue 4937 ILE Chi-restraints excluded: chain D residue 4938 ASP Chi-restraints excluded: chain D residue 4947 GLN Chi-restraints excluded: chain D residue 4950 VAL Chi-restraints excluded: chain D residue 4952 GLU Chi-restraints excluded: chain D residue 4953 ASP Chi-restraints excluded: chain D residue 4957 LYS Chi-restraints excluded: chain D residue 4961 CYS Chi-restraints excluded: chain D residue 4963 ILE Chi-restraints excluded: chain D residue 4965 SER Chi-restraints excluded: chain D residue 4967 TYR Chi-restraints excluded: chain D residue 4970 THR Chi-restraints excluded: chain D residue 4977 THR Chi-restraints excluded: chain D residue 4979 THR Chi-restraints excluded: chain D residue 4983 HIS Chi-restraints excluded: chain D residue 4985 LEU Chi-restraints excluded: chain D residue 4997 ASN Chi-restraints excluded: chain D residue 5001 THR Chi-restraints excluded: chain D residue 5008 SER Chi-restraints excluded: chain D residue 5016 GLU Chi-restraints excluded: chain D residue 5018 CYS Chi-restraints excluded: chain D residue 5020 ASP Chi-restraints excluded: chain D residue 5021 PHE Chi-restraints excluded: chain D residue 5030 LYS Chi-restraints excluded: chain D residue 5034 ASP Chi-restraints excluded: chain D residue 5036 LEU Chi-restraints excluded: chain D residue 5037 SER Chi-restraints excluded: chain B residue 17 ASP Chi-restraints excluded: chain B residue 20 VAL Chi-restraints excluded: chain B residue 21 VAL Chi-restraints excluded: chain B residue 24 CYS Chi-restraints excluded: chain B residue 37 LEU Chi-restraints excluded: chain B residue 49 LEU Chi-restraints excluded: chain B residue 57 ASN Chi-restraints excluded: chain B residue 58 VAL Chi-restraints excluded: chain B residue 64 ILE Chi-restraints excluded: chain B residue 68 THR Chi-restraints excluded: chain B residue 74 SER Chi-restraints excluded: chain B residue 75 VAL Chi-restraints excluded: chain B residue 80 GLU Chi-restraints excluded: chain B residue 81 MET Chi-restraints excluded: chain B residue 107 ILE Chi-restraints excluded: chain B residue 114 SER Chi-restraints excluded: chain B residue 119 SER Chi-restraints excluded: chain B residue 124 SER Chi-restraints excluded: chain B residue 131 LEU Chi-restraints excluded: chain B residue 138 GLN Chi-restraints excluded: chain B residue 144 GLU Chi-restraints excluded: chain B residue 149 THR Chi-restraints excluded: chain B residue 151 HIS Chi-restraints excluded: chain B residue 154 SER Chi-restraints excluded: chain B residue 159 GLU Chi-restraints excluded: chain B residue 161 GLU Chi-restraints excluded: chain B residue 162 LYS Chi-restraints excluded: chain B residue 164 ARG Chi-restraints excluded: chain B residue 165 VAL Chi-restraints excluded: chain B residue 167 ASP Chi-restraints excluded: chain B residue 173 SER Chi-restraints excluded: chain B residue 174 VAL Chi-restraints excluded: chain B residue 192 ASP Chi-restraints excluded: chain B residue 194 SER Chi-restraints excluded: chain B residue 206 CYS Chi-restraints excluded: chain B residue 210 GLU Chi-restraints excluded: chain B residue 211 GLU Chi-restraints excluded: chain B residue 215 THR Chi-restraints excluded: chain B residue 219 VAL Chi-restraints excluded: chain B residue 222 LEU Chi-restraints excluded: chain B residue 226 HIS Chi-restraints excluded: chain B residue 229 GLU Chi-restraints excluded: chain B residue 232 THR Chi-restraints excluded: chain B residue 240 ASP Chi-restraints excluded: chain B residue 243 ARG Chi-restraints excluded: chain B residue 258 SER Chi-restraints excluded: chain B residue 260 TRP Chi-restraints excluded: chain B residue 262 LEU Chi-restraints excluded: chain B residue 267 ILE Chi-restraints excluded: chain B residue 275 ARG Chi-restraints excluded: chain B residue 281 ARG Chi-restraints excluded: chain B residue 283 ARG Chi-restraints excluded: chain B residue 285 VAL Chi-restraints excluded: chain B residue 286 THR Chi-restraints excluded: chain B residue 287 THR Chi-restraints excluded: chain B residue 299 LEU Chi-restraints excluded: chain B residue 300 VAL Chi-restraints excluded: chain B residue 303 ASP Chi-restraints excluded: chain B residue 312 THR Chi-restraints excluded: chain B residue 313 SER Chi-restraints excluded: chain B residue 318 VAL Chi-restraints excluded: chain B residue 320 LYS Chi-restraints excluded: chain B residue 334 MET Chi-restraints excluded: chain B residue 343 GLU Chi-restraints excluded: chain B residue 345 LEU Chi-restraints excluded: chain B residue 348 VAL Chi-restraints excluded: chain B residue 357 LEU Chi-restraints excluded: chain B residue 358 THR Chi-restraints excluded: chain B residue 359 TYR Chi-restraints excluded: chain B residue 373 LYS Chi-restraints excluded: chain B residue 381 GLU Chi-restraints excluded: chain B residue 388 LEU Chi-restraints excluded: chain B residue 389 PHE Chi-restraints excluded: chain B residue 390 LEU Chi-restraints excluded: chain B residue 396 GLU Chi-restraints excluded: chain B residue 419 ASP Chi-restraints excluded: chain B residue 422 SER Chi-restraints excluded: chain B residue 424 LYS Chi-restraints excluded: chain B residue 436 LEU Chi-restraints excluded: chain B residue 444 SER Chi-restraints excluded: chain B residue 453 GLU Chi-restraints excluded: chain B residue 455 PRO Chi-restraints excluded: chain B residue 456 SER Chi-restraints excluded: chain B residue 459 LEU Chi-restraints excluded: chain B residue 469 ARG Chi-restraints excluded: chain B residue 470 SER Chi-restraints excluded: chain B residue 472 ARG Chi-restraints excluded: chain B residue 477 LEU Chi-restraints excluded: chain B residue 478 PHE Chi-restraints excluded: chain B residue 483 MET Chi-restraints excluded: chain B residue 487 VAL Chi-restraints excluded: chain B residue 488 LEU Chi-restraints excluded: chain B residue 494 LEU Chi-restraints excluded: chain B residue 497 TYR Chi-restraints excluded: chain B residue 499 THR Chi-restraints excluded: chain B residue 503 PHE Chi-restraints excluded: chain B residue 510 GLU Chi-restraints excluded: chain B residue 517 GLU Chi-restraints excluded: chain B residue 519 VAL Chi-restraints excluded: chain B residue 526 LEU Chi-restraints excluded: chain B residue 534 ARG Chi-restraints excluded: chain B residue 537 CYS Chi-restraints excluded: chain B residue 542 THR Chi-restraints excluded: chain B residue 545 ASP Chi-restraints excluded: chain B residue 549 SER Chi-restraints excluded: chain B residue 553 ARG Chi-restraints excluded: chain B residue 557 SER Chi-restraints excluded: chain B residue 566 CYS Chi-restraints excluded: chain B residue 570 GLU Chi-restraints excluded: chain B residue 578 ILE Chi-restraints excluded: chain B residue 581 ASN Chi-restraints excluded: chain B residue 587 ILE Chi-restraints excluded: chain B residue 600 LEU Chi-restraints excluded: chain B residue 608 VAL Chi-restraints excluded: chain B residue 612 VAL Chi-restraints excluded: chain B residue 614 VAL Chi-restraints excluded: chain B residue 616 SER Chi-restraints excluded: chain B residue 622 THR Chi-restraints excluded: chain B residue 624 ASN Chi-restraints excluded: chain B residue 634 GLN Chi-restraints excluded: chain B residue 637 LEU Chi-restraints excluded: chain B residue 641 VAL Chi-restraints excluded: chain B residue 643 SER Chi-restraints excluded: chain B residue 648 ILE Chi-restraints excluded: chain B residue 650 VAL Chi-restraints excluded: chain B residue 659 TYR Chi-restraints excluded: chain B residue 662 TRP Chi-restraints excluded: chain B residue 663 TYR Chi-restraints excluded: chain B residue 668 VAL Chi-restraints excluded: chain B residue 669 ASP Chi-restraints excluded: chain B residue 671 VAL Chi-restraints excluded: chain B residue 680 THR Chi-restraints excluded: chain B residue 684 VAL Chi-restraints excluded: chain B residue 692 TYR Chi-restraints excluded: chain B residue 700 GLU Chi-restraints excluded: chain B residue 707 VAL Chi-restraints excluded: chain B residue 710 ASP Chi-restraints excluded: chain B residue 716 PHE Chi-restraints excluded: chain B residue 719 LEU Chi-restraints excluded: chain B residue 720 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 744 VAL Chi-restraints excluded: chain B residue 752 VAL Chi-restraints excluded: chain B residue 754 SER Chi-restraints excluded: chain B residue 758 ARG Chi-restraints excluded: chain B residue 776 LEU Chi-restraints excluded: chain B residue 780 VAL Chi-restraints excluded: chain B residue 784 SER Chi-restraints excluded: chain B residue 787 VAL Chi-restraints excluded: chain B residue 791 PHE Chi-restraints excluded: chain B residue 793 LEU Chi-restraints excluded: chain B residue 803 LEU Chi-restraints excluded: chain B residue 812 HIS Chi-restraints excluded: chain B residue 831 ARG Chi-restraints excluded: chain B residue 835 ARG Chi-restraints excluded: chain B residue 840 VAL Chi-restraints excluded: chain B residue 850 ASP Chi-restraints excluded: chain B residue 866 HIS Chi-restraints excluded: chain B residue 867 LEU Chi-restraints excluded: chain B residue 868 GLU Chi-restraints excluded: chain B residue 869 ARG Chi-restraints excluded: chain B residue 870 ILE Chi-restraints excluded: chain B residue 891 TRP Chi-restraints excluded: chain B residue 893 TYR Chi-restraints excluded: chain B residue 907 LEU Chi-restraints excluded: chain B residue 931 THR Chi-restraints excluded: chain B residue 944 GLU Chi-restraints excluded: chain B residue 974 HIS Chi-restraints excluded: chain B residue 978 THR Chi-restraints excluded: chain B residue 1037 ASP Chi-restraints excluded: chain B residue 1044 ARG Chi-restraints excluded: chain B residue 1079 LYS Chi-restraints excluded: chain B residue 1080 SER Chi-restraints excluded: chain B residue 1082 THR Chi-restraints excluded: chain B residue 1083 VAL Chi-restraints excluded: chain B residue 1102 VAL Chi-restraints excluded: chain B residue 1110 ARG Chi-restraints excluded: chain B residue 1112 ASP Chi-restraints excluded: chain B residue 1113 VAL Chi-restraints excluded: chain B residue 1120 LEU Chi-restraints excluded: chain B residue 1123 VAL Chi-restraints excluded: chain B residue 1127 HIS Chi-restraints excluded: chain B residue 1133 HIS Chi-restraints excluded: chain B residue 1134 LEU Chi-restraints excluded: chain B residue 1139 PHE Chi-restraints excluded: chain B residue 1141 ARG Chi-restraints excluded: chain B residue 1148 VAL Chi-restraints excluded: chain B residue 1149 VAL 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 1159 THR Chi-restraints excluded: chain B residue 1164 LEU Chi-restraints excluded: chain B residue 1179 PHE Chi-restraints excluded: chain B residue 1184 ILE Chi-restraints excluded: chain B residue 1191 VAL 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 1210 SER Chi-restraints excluded: chain B residue 1214 PHE Chi-restraints excluded: chain B residue 1230 MET 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 1242 LEU Chi-restraints excluded: chain B residue 1252 HIS Chi-restraints excluded: chain B residue 1255 TYR Chi-restraints excluded: chain B residue 1260 MET Chi-restraints excluded: chain B residue 1266 THR Chi-restraints excluded: chain B residue 1274 HIS Chi-restraints excluded: chain B residue 1574 PRO 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 1608 MET Chi-restraints excluded: chain B residue 1612 PHE Chi-restraints excluded: chain B residue 1630 CYS Chi-restraints excluded: chain B residue 1635 THR Chi-restraints excluded: chain B residue 1637 MET Chi-restraints excluded: chain B residue 1639 LEU Chi-restraints excluded: chain B residue 1647 CYS Chi-restraints excluded: chain B residue 1648 MET Chi-restraints excluded: chain B residue 1652 GLU Chi-restraints excluded: chain B residue 1653 LEU Chi-restraints excluded: chain B residue 1654 SER Chi-restraints excluded: chain B residue 1655 GLU Chi-restraints excluded: chain B residue 1657 LEU Chi-restraints excluded: chain B residue 1664 SER Chi-restraints excluded: chain B residue 1666 THR Chi-restraints excluded: chain B residue 1681 VAL Chi-restraints excluded: chain B residue 1687 SER Chi-restraints excluded: chain B residue 1695 LEU Chi-restraints excluded: chain B residue 1700 ASP Chi-restraints excluded: chain B residue 1702 HIS Chi-restraints excluded: chain B residue 1703 LEU Chi-restraints excluded: chain B residue 1706 PRO Chi-restraints excluded: chain B residue 1714 LEU Chi-restraints excluded: chain B residue 1716 ILE Chi-restraints excluded: chain B residue 1717 SER Chi-restraints excluded: chain B residue 1720 LEU Chi-restraints excluded: chain B residue 1721 GLU Chi-restraints excluded: chain B residue 1724 CYS Chi-restraints excluded: chain B residue 1730 MET Chi-restraints excluded: chain B residue 1731 LEU Chi-restraints excluded: chain B residue 1736 VAL Chi-restraints excluded: chain B residue 1739 THR Chi-restraints excluded: chain B residue 1742 THR Chi-restraints excluded: chain B residue 1745 ILE Chi-restraints excluded: chain B residue 1762 LEU Chi-restraints excluded: chain B residue 1769 THR Chi-restraints excluded: chain B residue 1771 LEU Chi-restraints excluded: chain B residue 1776 HIS Chi-restraints excluded: chain B residue 1786 LEU Chi-restraints excluded: chain B residue 1798 LEU Chi-restraints excluded: chain B residue 1802 ILE Chi-restraints excluded: chain B residue 1813 ARG Chi-restraints excluded: chain B residue 1830 VAL Chi-restraints excluded: chain B residue 1833 SER Chi-restraints excluded: chain B residue 1834 VAL Chi-restraints excluded: chain B residue 1845 VAL Chi-restraints excluded: chain B residue 1847 THR Chi-restraints excluded: chain B residue 1850 VAL Chi-restraints excluded: chain B residue 1865 MET Chi-restraints excluded: chain B residue 1935 VAL Chi-restraints excluded: chain B residue 1947 CYS Chi-restraints excluded: chain B residue 1950 GLU Chi-restraints excluded: chain B residue 1953 HIS Chi-restraints excluded: chain B residue 1955 VAL Chi-restraints excluded: chain B residue 1958 LEU Chi-restraints excluded: chain B residue 1963 GLU Chi-restraints excluded: chain B residue 1965 TYR Chi-restraints excluded: chain B residue 1969 LEU Chi-restraints excluded: chain B residue 1973 GLN Chi-restraints excluded: chain B residue 1980 LEU Chi-restraints excluded: chain B residue 2006 ILE Chi-restraints excluded: chain B residue 2010 LEU Chi-restraints excluded: chain B residue 2011 HIS Chi-restraints excluded: chain B residue 2028 ARG Chi-restraints excluded: chain B residue 2039 LEU Chi-restraints excluded: chain B residue 2041 HIS Chi-restraints excluded: chain B residue 2097 LEU Chi-restraints excluded: chain B residue 2098 VAL Chi-restraints excluded: chain B residue 2099 SER Chi-restraints excluded: chain B residue 2103 VAL Chi-restraints excluded: chain B residue 2117 VAL Chi-restraints excluded: chain B residue 2122 SER Chi-restraints excluded: chain B residue 2126 ARG Chi-restraints excluded: chain B residue 2140 ARG Chi-restraints excluded: chain B residue 2148 SER Chi-restraints excluded: chain B residue 2152 THR Chi-restraints excluded: chain B residue 2162 ILE Chi-restraints excluded: chain B residue 2164 SER Chi-restraints excluded: chain B residue 2166 LEU Chi-restraints excluded: chain B residue 2167 ILE Chi-restraints excluded: chain B residue 2172 PRO Chi-restraints excluded: chain B residue 2187 ASN Chi-restraints excluded: chain B residue 2191 PHE Chi-restraints excluded: chain B residue 2192 TYR Chi-restraints excluded: chain B residue 2194 HIS Chi-restraints excluded: chain B residue 2210 VAL Chi-restraints excluded: chain B residue 2215 LEU Chi-restraints excluded: chain B residue 2223 ILE Chi-restraints excluded: chain B residue 2229 VAL Chi-restraints excluded: chain B residue 2240 CYS Chi-restraints excluded: chain B residue 2245 GLN Chi-restraints excluded: chain B residue 2246 ASN Chi-restraints excluded: chain B residue 2249 SER Chi-restraints excluded: chain B residue 2253 HIS Chi-restraints excluded: chain B residue 2273 LEU Chi-restraints excluded: chain B residue 2274 ASP Chi-restraints excluded: chain B residue 2279 SER Chi-restraints excluded: chain B residue 2281 ILE Chi-restraints excluded: chain B residue 2286 LEU Chi-restraints excluded: chain B residue 2291 GLN Chi-restraints excluded: chain B residue 2299 VAL Chi-restraints excluded: chain B residue 2300 SER Chi-restraints excluded: chain B residue 2301 TYR Chi-restraints excluded: chain B residue 2302 LEU Chi-restraints excluded: chain B residue 2314 LEU Chi-restraints excluded: chain B residue 2336 ARG Chi-restraints excluded: chain B residue 2341 VAL Chi-restraints excluded: chain B residue 2364 PHE Chi-restraints excluded: chain B residue 2420 HIS Chi-restraints excluded: chain B residue 2438 PRO Chi-restraints excluded: chain B residue 2442 LEU Chi-restraints excluded: chain B residue 2443 ILE Chi-restraints excluded: chain B residue 2451 LEU Chi-restraints excluded: chain B residue 2456 ILE Chi-restraints excluded: chain B residue 2457 LEU Chi-restraints excluded: chain B residue 2458 ARG Chi-restraints excluded: chain B residue 2460 LEU Chi-restraints excluded: chain B residue 2752 ASP Chi-restraints excluded: chain B residue 2761 TYR Chi-restraints excluded: chain B residue 2762 THR Chi-restraints excluded: chain B residue 2779 GLU Chi-restraints excluded: chain B residue 2799 GLU Chi-restraints excluded: chain B residue 2807 TRP Chi-restraints excluded: chain B residue 2811 GLU Chi-restraints excluded: chain B residue 2869 ARG Chi-restraints excluded: chain B residue 2872 GLN Chi-restraints excluded: chain B residue 2882 TYR Chi-restraints excluded: chain B residue 2883 HIS Chi-restraints excluded: chain B residue 2889 LYS Chi-restraints excluded: chain B residue 2892 GLN Chi-restraints excluded: chain B residue 2894 LEU Chi-restraints excluded: chain B residue 2895 GLU Chi-restraints excluded: chain B residue 2904 LEU Chi-restraints excluded: chain B residue 2912 THR Chi-restraints excluded: chain B residue 2932 MET Chi-restraints excluded: chain B residue 3642 TYR Chi-restraints excluded: chain B residue 3647 HIS Chi-restraints excluded: chain B residue 3648 ARG Chi-restraints excluded: chain B residue 3656 SER Chi-restraints excluded: chain B residue 3657 TYR Chi-restraints excluded: chain B residue 3658 LYS Chi-restraints excluded: chain B residue 3661 TRP Chi-restraints excluded: chain B residue 3663 LEU Chi-restraints excluded: chain B residue 3669 PHE Chi-restraints excluded: chain B residue 3671 ASP Chi-restraints excluded: chain B residue 3673 MET Chi-restraints excluded: chain B residue 3674 ILE Chi-restraints excluded: chain B residue 3678 SER Chi-restraints excluded: chain B residue 3696 ASP Chi-restraints excluded: chain B residue 3703 LEU Chi-restraints excluded: chain B residue 3708 THR Chi-restraints excluded: chain B residue 3710 LEU Chi-restraints excluded: chain B residue 3711 THR Chi-restraints excluded: chain B residue 3712 GLU Chi-restraints excluded: chain B residue 3727 ASP Chi-restraints excluded: chain B residue 3733 CYS Chi-restraints excluded: chain B residue 3751 VAL Chi-restraints excluded: chain B residue 3753 PHE Chi-restraints excluded: chain B residue 3761 GLN Chi-restraints excluded: chain B residue 3762 ARG Chi-restraints excluded: chain B residue 3764 LEU Chi-restraints excluded: chain B residue 3790 THR Chi-restraints excluded: chain B residue 3795 SER Chi-restraints excluded: chain B residue 3803 SER Chi-restraints excluded: chain B residue 3804 ILE Chi-restraints excluded: chain B residue 3805 LEU Chi-restraints excluded: chain B residue 3809 ASN Chi-restraints excluded: chain B residue 3822 ASP Chi-restraints excluded: chain B residue 3825 GLU Chi-restraints excluded: chain B residue 3830 GLN Chi-restraints excluded: chain B residue 3832 ILE Chi-restraints excluded: chain B residue 3835 LEU Chi-restraints excluded: chain B residue 3836 MET Chi-restraints excluded: chain B residue 3838 THR Chi-restraints excluded: chain B residue 3886 ARG Chi-restraints excluded: chain B residue 3890 LEU Chi-restraints excluded: chain B residue 3892 CYS Chi-restraints excluded: chain B residue 3899 PHE Chi-restraints excluded: chain B residue 3905 THR Chi-restraints excluded: chain B residue 3907 THR Chi-restraints excluded: chain B residue 3910 THR Chi-restraints excluded: chain B residue 3911 THR Chi-restraints excluded: chain B residue 3913 ILE Chi-restraints excluded: chain B residue 3919 THR Chi-restraints excluded: chain B residue 3920 VAL Chi-restraints excluded: chain B residue 3930 ILE Chi-restraints excluded: chain B residue 3938 SER Chi-restraints excluded: chain B residue 3950 ASN Chi-restraints excluded: chain B residue 3952 SER Chi-restraints excluded: chain B residue 3964 SER Chi-restraints excluded: chain B residue 3966 THR Chi-restraints excluded: chain B residue 3973 CYS Chi-restraints excluded: chain B residue 3974 THR Chi-restraints excluded: chain B residue 3979 SER Chi-restraints excluded: chain B residue 4001 MET Chi-restraints excluded: chain B residue 4021 LYS Chi-restraints excluded: chain B residue 4040 ILE Chi-restraints excluded: chain B residue 4044 MET Chi-restraints excluded: chain B residue 4053 SER Chi-restraints excluded: chain B residue 4054 ASN Chi-restraints excluded: chain B residue 4064 MET Chi-restraints excluded: chain B residue 4066 LEU Chi-restraints excluded: chain B residue 4072 VAL Chi-restraints excluded: chain B residue 4078 GLN Chi-restraints excluded: chain B residue 4081 VAL Chi-restraints excluded: chain B residue 4082 THR Chi-restraints excluded: chain B residue 4083 ASP Chi-restraints excluded: chain B residue 4088 ILE Chi-restraints excluded: chain B residue 4092 ASP Chi-restraints excluded: chain B residue 4097 MET Chi-restraints excluded: chain B residue 4098 ASP Chi-restraints excluded: chain B residue 4102 GLN Chi-restraints excluded: chain B residue 4104 THR Chi-restraints excluded: chain B residue 4108 ILE Chi-restraints excluded: chain B residue 4113 SER Chi-restraints excluded: chain B residue 4115 SER Chi-restraints excluded: chain B residue 4116 GLU Chi-restraints excluded: chain B residue 4118 ASP Chi-restraints excluded: chain B residue 4119 GLU 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 4132 PHE Chi-restraints excluded: chain B residue 4142 ASN Chi-restraints excluded: chain B residue 4151 SER Chi-restraints excluded: chain B residue 4161 ARG Chi-restraints excluded: chain B residue 4166 LEU Chi-restraints excluded: chain B residue 4168 GLU Chi-restraints excluded: chain B residue 4170 ILE Chi-restraints excluded: chain B residue 4182 GLU Chi-restraints excluded: chain B residue 4187 SER Chi-restraints excluded: chain B residue 4197 ILE Chi-restraints excluded: chain B residue 4199 GLU Chi-restraints excluded: chain B residue 4205 TRP Chi-restraints excluded: chain B residue 4213 SER Chi-restraints excluded: chain B residue 4218 ILE Chi-restraints excluded: chain B residue 4221 VAL Chi-restraints excluded: chain B residue 4241 THR Chi-restraints excluded: chain B residue 4246 GLN Chi-restraints excluded: chain B residue 4251 ILE Chi-restraints excluded: chain B residue 4552 LEU Chi-restraints excluded: chain B residue 4553 ASN Chi-restraints excluded: chain B residue 4556 SER Chi-restraints excluded: chain B residue 4561 THR Chi-restraints excluded: chain B residue 4562 LEU Chi-restraints excluded: chain B residue 4569 LEU Chi-restraints excluded: chain B residue 4573 ILE Chi-restraints excluded: chain B residue 4574 ASN Chi-restraints excluded: chain B residue 4580 TYR Chi-restraints excluded: chain B residue 4584 ASP Chi-restraints excluded: chain B residue 4628 VAL Chi-restraints excluded: chain B residue 4631 PHE Chi-restraints excluded: chain B residue 4632 LEU Chi-restraints excluded: chain B residue 4636 THR Chi-restraints excluded: chain B residue 4638 TYR Chi-restraints excluded: chain B residue 4639 MET Chi-restraints excluded: chain B residue 4643 LEU Chi-restraints excluded: chain B residue 4648 LEU Chi-restraints excluded: chain B residue 4651 THR Chi-restraints excluded: chain B residue 4676 GLU Chi-restraints excluded: chain B residue 4682 GLU Chi-restraints excluded: chain B residue 4688 ILE Chi-restraints excluded: chain B residue 4694 ASP Chi-restraints excluded: chain B residue 4695 ASP Chi-restraints excluded: chain B residue 4724 VAL Chi-restraints excluded: chain B residue 4728 HIS Chi-restraints excluded: chain B residue 4736 ARG Chi-restraints excluded: chain B residue 4741 LEU Chi-restraints excluded: chain B residue 4743 MET Chi-restraints excluded: chain B residue 4744 ASP Chi-restraints excluded: chain B residue 4751 THR Chi-restraints excluded: chain B residue 4765 LEU Chi-restraints excluded: chain B residue 4768 LEU Chi-restraints excluded: chain B residue 4770 SER Chi-restraints excluded: chain B residue 4773 VAL Chi-restraints excluded: chain B residue 4782 VAL Chi-restraints excluded: chain B residue 4788 SER Chi-restraints excluded: chain B residue 4797 VAL Chi-restraints excluded: chain B residue 4799 SER Chi-restraints excluded: chain B residue 4804 TYR Chi-restraints excluded: chain B residue 4818 MET Chi-restraints excluded: chain B residue 4822 THR Chi-restraints excluded: chain B residue 4828 SER Chi-restraints excluded: chain B residue 4831 THR Chi-restraints excluded: chain B residue 4840 THR Chi-restraints excluded: chain B residue 4852 THR Chi-restraints excluded: chain B residue 4856 PHE Chi-restraints excluded: chain B residue 4858 PHE Chi-restraints excluded: chain B residue 4861 LYS Chi-restraints excluded: chain B residue 4870 ASP Chi-restraints excluded: chain B residue 4873 ASP Chi-restraints excluded: chain B residue 4876 CYS Chi-restraints excluded: chain B residue 4879 MET Chi-restraints excluded: chain B residue 4881 THR Chi-restraints excluded: chain B residue 4887 MET Chi-restraints excluded: chain B residue 4888 TYR Chi-restraints excluded: chain B residue 4891 VAL Chi-restraints excluded: chain B residue 4910 GLU Chi-restraints excluded: chain B residue 4915 VAL Chi-restraints excluded: chain B residue 4916 PHE Chi-restraints excluded: chain B residue 4917 ASP Chi-restraints excluded: chain B residue 4918 ILE Chi-restraints excluded: chain B residue 4919 THR Chi-restraints excluded: chain B residue 4925 ILE Chi-restraints excluded: chain B residue 4928 LEU Chi-restraints excluded: chain B residue 4943 LEU Chi-restraints excluded: chain B residue 4947 GLN Chi-restraints excluded: chain B residue 4950 VAL Chi-restraints excluded: chain B residue 4952 GLU Chi-restraints excluded: chain B residue 4953 ASP Chi-restraints excluded: chain B residue 4956 THR Chi-restraints excluded: chain B residue 4961 CYS Chi-restraints excluded: chain B residue 4963 ILE Chi-restraints excluded: chain B residue 4965 SER Chi-restraints excluded: chain B residue 4970 THR Chi-restraints excluded: chain B residue 4977 THR Chi-restraints excluded: chain B residue 4979 THR Chi-restraints excluded: chain B residue 4985 LEU Chi-restraints excluded: chain B residue 4989 MET Chi-restraints excluded: chain B residue 4997 ASN Chi-restraints excluded: chain B residue 5001 THR Chi-restraints excluded: chain B residue 5008 SER Chi-restraints excluded: chain B residue 5016 GLU Chi-restraints excluded: chain B residue 5018 CYS Chi-restraints excluded: chain B residue 5020 ASP Chi-restraints excluded: chain B residue 5021 PHE Chi-restraints excluded: chain B residue 5034 ASP Chi-restraints excluded: chain B residue 5036 LEU Chi-restraints excluded: chain B residue 5037 SER 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 71 GLN ** A 218 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 379 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 617 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 624 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 647 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 735 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 736 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 904 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 921 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A1645 ASN A1702 HIS ** A1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2112 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2194 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2772 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3830 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3946 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3998 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4162 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A4204 GLN ** A4553 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4714 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 218 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 379 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C 520 ASN ** C 617 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 624 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 647 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 735 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 736 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 904 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 921 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C1645 ASN C1702 HIS ** C1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2112 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2194 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2772 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2883 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3830 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3946 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3998 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4162 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C4204 GLN ** C4553 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4714 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4803 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D 71 GLN ** D 218 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D 520 ASN ** D 624 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D 647 ASN ** D 658 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 735 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 736 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 904 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 921 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D1645 ASN D1702 HIS D1952 GLN ** D2112 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2194 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2772 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2877 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2883 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3781 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3830 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3998 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D4204 GLN ** D4553 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4714 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4803 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B 71 GLN ** B 218 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 379 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B 520 ASN ** B 624 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 647 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 720 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 735 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 736 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 904 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 921 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B1645 ASN B1702 HIS B1952 GLN ** B2112 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2184 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2194 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2772 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2883 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3830 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3946 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3998 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4133 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4162 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B4204 GLN ** B4553 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4714 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4803 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 21 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8433 moved from start: 0.8655 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.055 0.437 119505 Z= 3.534 Angle : 3.087 37.429 162917 Z= 1.566 Chirality : 0.153 0.931 19033 Planarity : 0.021 0.386 21423 Dihedral : 14.214 110.231 17817 Min Nonbonded Distance : 1.087 Molprobity Statistics. All-atom Clashscore : 88.39 Ramachandran Plot: Outliers : 2.47 % Allowed : 37.55 % Favored : 59.98 % Rotamer: Outliers : 28.28 % Allowed : 25.22 % Favored : 46.51 % Cbeta Deviations : 0.52 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 6.09 % Twisted General : 3.46 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -7.28 (0.05), residues: 12808 helix: -4.62 (0.04), residues: 5644 sheet: -3.73 (0.14), residues: 1052 loop : -5.34 (0.05), residues: 6112 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.096 0.012 TRP D5011 HIS 0.042 0.007 HIS D4983 PHE 0.110 0.012 PHE B1238 TYR 0.111 0.011 TYR B 359 ARG 0.053 0.003 ARG C3773 *********************** REFINEMENT MACRO_CYCLE 6 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 25616 Ramachandran restraints generated. 12808 Oldfield, 0 Emsley, 12808 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 25616 Ramachandran restraints generated. 12808 Oldfield, 0 Emsley, 12808 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3378 residues out of total 11248 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2840 poor density : 538 time to evaluate : 8.927 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 50 GLU cc_start: 0.8639 (OUTLIER) cc_final: 0.8011 (tp30) REVERT: A 69 LEU cc_start: 0.8970 (OUTLIER) cc_final: 0.8755 (pt) REVERT: A 80 GLU cc_start: 0.8975 (OUTLIER) cc_final: 0.8295 (mp0) REVERT: A 115 ARG cc_start: 0.9069 (OUTLIER) cc_final: 0.8459 (mmm-85) REVERT: A 159 GLU cc_start: 0.8820 (OUTLIER) cc_final: 0.8472 (tm-30) REVERT: A 229 GLU cc_start: 0.7526 (OUTLIER) cc_final: 0.7168 (tt0) REVERT: A 243 ARG cc_start: 0.8542 (OUTLIER) cc_final: 0.7214 (mmm160) REVERT: A 276 TRP cc_start: 0.7237 (OUTLIER) cc_final: 0.6872 (m100) REVERT: A 283 ARG cc_start: 0.8047 (OUTLIER) cc_final: 0.7273 (ttm170) REVERT: A 403 MET cc_start: 0.8866 (mtp) cc_final: 0.8495 (mtp) REVERT: A 419 ASP cc_start: 0.8575 (OUTLIER) cc_final: 0.8259 (m-30) REVERT: A 553 ARG cc_start: 0.8480 (tmt-80) cc_final: 0.8041 (tmt-80) REVERT: A 581 ASN cc_start: 0.7961 (OUTLIER) cc_final: 0.7659 (p0) REVERT: A 659 TYR cc_start: 0.5547 (OUTLIER) cc_final: 0.4758 (m-80) REVERT: A 662 TRP cc_start: 0.7540 (OUTLIER) cc_final: 0.7037 (m-10) REVERT: A 663 TYR cc_start: 0.6602 (OUTLIER) cc_final: 0.5948 (t80) REVERT: A 700 GLU cc_start: 0.7635 (OUTLIER) cc_final: 0.7279 (mp0) REVERT: A 831 ARG cc_start: 0.8839 (OUTLIER) cc_final: 0.8442 (ptp-170) REVERT: A 869 ARG cc_start: 0.6376 (OUTLIER) cc_final: 0.5276 (ptt180) REVERT: A 870 ILE cc_start: 0.6270 (OUTLIER) cc_final: 0.5299 (mm) REVERT: A 893 TYR cc_start: 0.4960 (OUTLIER) cc_final: 0.3899 (p90) REVERT: A 944 GLU cc_start: 0.2201 (OUTLIER) cc_final: 0.1801 (tt0) REVERT: A 1036 ARG cc_start: 0.6803 (OUTLIER) cc_final: 0.5242 (tmt170) REVERT: A 1044 ARG cc_start: 0.3077 (OUTLIER) cc_final: 0.2176 (tpp80) REVERT: A 1110 ARG cc_start: 0.9090 (OUTLIER) cc_final: 0.8737 (ptp-110) REVERT: A 1120 LEU cc_start: 0.9402 (OUTLIER) cc_final: 0.9155 (mm) REVERT: A 1133 HIS cc_start: 0.9356 (OUTLIER) cc_final: 0.8731 (t-170) REVERT: A 1141 ARG cc_start: 0.8851 (OUTLIER) cc_final: 0.8140 (ptm160) REVERT: A 1152 MET cc_start: 0.8693 (OUTLIER) cc_final: 0.8468 (mtm) REVERT: A 1202 LEU cc_start: 0.9388 (OUTLIER) cc_final: 0.8952 (tp) REVERT: A 1230 MET cc_start: 0.9080 (OUTLIER) cc_final: 0.8258 (mtt) REVERT: A 1242 LEU cc_start: 0.9317 (OUTLIER) cc_final: 0.9094 (mp) REVERT: A 1255 TYR cc_start: 0.8847 (OUTLIER) cc_final: 0.7465 (m-80) REVERT: A 1652 GLU cc_start: 0.9482 (OUTLIER) cc_final: 0.8937 (tm-30) REVERT: A 1653 LEU cc_start: 0.9509 (OUTLIER) cc_final: 0.9034 (mp) REVERT: A 1655 GLU cc_start: 0.8561 (OUTLIER) cc_final: 0.7759 (tm-30) REVERT: A 1656 ARG cc_start: 0.9336 (OUTLIER) cc_final: 0.9031 (mmm-85) REVERT: A 1703 LEU cc_start: 0.9578 (OUTLIER) cc_final: 0.9249 (mt) REVERT: A 1714 LEU cc_start: 0.9467 (OUTLIER) cc_final: 0.8954 (mp) REVERT: A 1733 GLU cc_start: 0.8571 (OUTLIER) cc_final: 0.8037 (mp0) REVERT: A 1939 MET cc_start: 0.9085 (mmm) cc_final: 0.8802 (tpp) REVERT: A 1963 GLU cc_start: 0.8440 (OUTLIER) cc_final: 0.8125 (pp20) REVERT: A 1973 GLN cc_start: 0.7618 (OUTLIER) cc_final: 0.7205 (tm-30) REVERT: A 2028 ARG cc_start: 0.8812 (OUTLIER) cc_final: 0.8606 (ptt180) REVERT: A 2126 ARG cc_start: 0.9428 (OUTLIER) cc_final: 0.9189 (mtp85) REVERT: A 2191 PHE cc_start: 0.9166 (OUTLIER) cc_final: 0.8263 (t80) REVERT: A 2245 GLN cc_start: 0.9521 (OUTLIER) cc_final: 0.8839 (mm-40) REVERT: A 2336 ARG cc_start: 0.8946 (OUTLIER) cc_final: 0.8558 (ttp-110) REVERT: A 2364 PHE cc_start: 0.7579 (OUTLIER) cc_final: 0.6698 (m-80) REVERT: A 2420 HIS cc_start: 0.8242 (OUTLIER) cc_final: 0.7842 (t70) REVERT: A 2458 ARG cc_start: 0.7820 (OUTLIER) cc_final: 0.7509 (tpt90) REVERT: A 2777 TYR cc_start: -0.1329 (OUTLIER) cc_final: -0.1691 (m-80) REVERT: A 2779 GLU cc_start: 0.2006 (OUTLIER) cc_final: 0.0594 (mt-10) REVERT: A 2809 ILE cc_start: 0.0435 (OUTLIER) cc_final: -0.0165 (mt) REVERT: A 2908 TYR cc_start: 0.5996 (OUTLIER) cc_final: 0.5777 (t80) REVERT: A 2928 LYS cc_start: 0.2493 (OUTLIER) cc_final: 0.2255 (mtpt) REVERT: A 3642 TYR cc_start: 0.7680 (OUTLIER) cc_final: 0.6506 (p90) REVERT: A 3643 ASN cc_start: 0.7567 (OUTLIER) cc_final: 0.7229 (p0) REVERT: A 3647 HIS cc_start: 0.8043 (OUTLIER) cc_final: 0.7389 (p90) REVERT: A 3658 LYS cc_start: 0.6402 (OUTLIER) cc_final: 0.5673 (tppt) REVERT: A 3710 LEU cc_start: 0.9363 (OUTLIER) cc_final: 0.9130 (tt) REVERT: A 3712 GLU cc_start: 0.8956 (OUTLIER) cc_final: 0.8700 (pm20) REVERT: A 3753 PHE cc_start: 0.8003 (OUTLIER) cc_final: 0.7650 (t80) REVERT: A 3805 LEU cc_start: 0.9633 (OUTLIER) cc_final: 0.9322 (pp) REVERT: A 3835 LEU cc_start: 0.9493 (OUTLIER) cc_final: 0.9191 (tt) REVERT: A 3886 ARG cc_start: 0.9379 (OUTLIER) cc_final: 0.8455 (tpt90) REVERT: A 4054 ASN cc_start: 0.9092 (OUTLIER) cc_final: 0.8541 (m-40) REVERT: A 4066 LEU cc_start: 0.9481 (OUTLIER) cc_final: 0.9197 (mp) REVERT: A 4071 ILE cc_start: 0.9374 (OUTLIER) cc_final: 0.9171 (tt) REVERT: A 4078 GLN cc_start: 0.9455 (OUTLIER) cc_final: 0.8670 (tm-30) REVERT: A 4097 MET cc_start: 0.9007 (OUTLIER) cc_final: 0.8468 (mpp) REVERT: A 4108 ILE cc_start: 0.9191 (OUTLIER) cc_final: 0.8929 (mm) REVERT: A 4132 PHE cc_start: 0.8633 (OUTLIER) cc_final: 0.8160 (m-10) REVERT: A 4142 ASN cc_start: 0.9562 (OUTLIER) cc_final: 0.8965 (t0) REVERT: A 4205 TRP cc_start: 0.9590 (OUTLIER) cc_final: 0.9250 (t-100) REVERT: A 4562 LEU cc_start: 0.9194 (OUTLIER) cc_final: 0.8917 (tt) REVERT: A 4580 TYR cc_start: 0.9423 (OUTLIER) cc_final: 0.7955 (m-80) REVERT: A 4634 GLU cc_start: 0.5421 (OUTLIER) cc_final: 0.4794 (pt0) REVERT: A 4736 ARG cc_start: 0.9180 (OUTLIER) cc_final: 0.8478 (mtp85) REVERT: A 4796 MET cc_start: 0.9025 (tmm) cc_final: 0.8574 (tmm) REVERT: A 4803 HIS cc_start: 0.8679 (OUTLIER) cc_final: 0.8420 (m90) REVERT: A 4839 MET cc_start: 0.8810 (mmm) cc_final: 0.8590 (mmm) REVERT: A 4913 ARG cc_start: 0.8850 (OUTLIER) cc_final: 0.7925 (tpt90) REVERT: A 4953 ASP cc_start: 0.8991 (OUTLIER) cc_final: 0.8611 (t0) REVERT: A 4957 LYS cc_start: 0.8959 (OUTLIER) cc_final: 0.8686 (mmtp) REVERT: A 5020 ASP cc_start: 0.9448 (OUTLIER) cc_final: 0.9193 (m-30) REVERT: C 50 GLU cc_start: 0.8634 (OUTLIER) cc_final: 0.7994 (tp30) REVERT: C 69 LEU cc_start: 0.8949 (OUTLIER) cc_final: 0.8738 (pt) REVERT: C 115 ARG cc_start: 0.9063 (OUTLIER) cc_final: 0.8521 (mmm-85) REVERT: C 159 GLU cc_start: 0.8659 (OUTLIER) cc_final: 0.8428 (tp30) REVERT: C 229 GLU cc_start: 0.7617 (OUTLIER) cc_final: 0.7283 (tt0) REVERT: C 243 ARG cc_start: 0.8541 (OUTLIER) cc_final: 0.7204 (mmm160) REVERT: C 260 TRP cc_start: 0.8875 (OUTLIER) cc_final: 0.7473 (m100) REVERT: C 276 TRP cc_start: 0.6944 (OUTLIER) cc_final: 0.6400 (m100) REVERT: C 419 ASP cc_start: 0.8535 (OUTLIER) cc_final: 0.8208 (m-30) REVERT: C 524 GLU cc_start: 0.8926 (OUTLIER) cc_final: 0.8607 (mp0) REVERT: C 581 ASN cc_start: 0.7883 (OUTLIER) cc_final: 0.7643 (p0) REVERT: C 629 ARG cc_start: 0.8917 (OUTLIER) cc_final: 0.8590 (mtp85) REVERT: C 659 TYR cc_start: 0.5493 (OUTLIER) cc_final: 0.4674 (m-80) REVERT: C 662 TRP cc_start: 0.7406 (OUTLIER) cc_final: 0.6825 (m-10) REVERT: C 663 TYR cc_start: 0.6595 (OUTLIER) cc_final: 0.5935 (t80) REVERT: C 683 ARG cc_start: 0.8257 (OUTLIER) cc_final: 0.5232 (mmt90) REVERT: C 700 GLU cc_start: 0.7623 (OUTLIER) cc_final: 0.7281 (mp0) REVERT: C 831 ARG cc_start: 0.8826 (OUTLIER) cc_final: 0.8426 (ptp-170) REVERT: C 869 ARG cc_start: 0.6372 (OUTLIER) cc_final: 0.5272 (ptt180) REVERT: C 870 ILE cc_start: 0.6284 (OUTLIER) cc_final: 0.5306 (mm) REVERT: C 893 TYR cc_start: 0.4977 (OUTLIER) cc_final: 0.3909 (p90) REVERT: C 944 GLU cc_start: 0.2201 (OUTLIER) cc_final: 0.1837 (tt0) REVERT: C 1036 ARG cc_start: 0.6795 (OUTLIER) cc_final: 0.5216 (tmt170) REVERT: C 1044 ARG cc_start: 0.3074 (OUTLIER) cc_final: 0.2166 (tpp80) REVERT: C 1110 ARG cc_start: 0.9091 (OUTLIER) cc_final: 0.8795 (ptp-110) REVERT: C 1120 LEU cc_start: 0.9404 (OUTLIER) cc_final: 0.9173 (mm) REVERT: C 1133 HIS cc_start: 0.9385 (OUTLIER) cc_final: 0.8780 (t-170) REVERT: C 1141 ARG cc_start: 0.8845 (OUTLIER) cc_final: 0.8140 (ptm160) REVERT: C 1152 MET cc_start: 0.8686 (OUTLIER) cc_final: 0.8479 (mtm) REVERT: C 1202 LEU cc_start: 0.9340 (OUTLIER) cc_final: 0.8868 (tp) REVERT: C 1204 LEU cc_start: 0.9194 (OUTLIER) cc_final: 0.8921 (mm) REVERT: C 1230 MET cc_start: 0.9082 (OUTLIER) cc_final: 0.8269 (mtt) REVERT: C 1242 LEU cc_start: 0.9322 (OUTLIER) cc_final: 0.9111 (mp) REVERT: C 1255 TYR cc_start: 0.8849 (OUTLIER) cc_final: 0.7466 (m-80) REVERT: C 1630 CYS cc_start: 0.8403 (OUTLIER) cc_final: 0.8005 (p) REVERT: C 1652 GLU cc_start: 0.9478 (OUTLIER) cc_final: 0.8933 (tm-30) REVERT: C 1653 LEU cc_start: 0.9505 (OUTLIER) cc_final: 0.9052 (mp) REVERT: C 1655 GLU cc_start: 0.8628 (OUTLIER) cc_final: 0.7804 (tm-30) REVERT: C 1656 ARG cc_start: 0.9339 (OUTLIER) cc_final: 0.9038 (mmm-85) REVERT: C 1703 LEU cc_start: 0.9586 (OUTLIER) cc_final: 0.9264 (mt) REVERT: C 1714 LEU cc_start: 0.9458 (OUTLIER) cc_final: 0.8975 (mp) REVERT: C 1734 TYR cc_start: 0.9066 (OUTLIER) cc_final: 0.8809 (m-80) REVERT: C 1813 ARG cc_start: 0.9238 (OUTLIER) cc_final: 0.8280 (ttp80) REVERT: C 1939 MET cc_start: 0.9104 (mmm) cc_final: 0.8849 (mmm) REVERT: C 1963 GLU cc_start: 0.8442 (OUTLIER) cc_final: 0.8122 (pp20) REVERT: C 1965 TYR cc_start: 0.8069 (OUTLIER) cc_final: 0.7566 (t80) REVERT: C 1973 GLN cc_start: 0.7517 (OUTLIER) cc_final: 0.7128 (tm-30) REVERT: C 2126 ARG cc_start: 0.9498 (OUTLIER) cc_final: 0.9224 (mtp85) REVERT: C 2191 PHE cc_start: 0.9126 (OUTLIER) cc_final: 0.8303 (t80) REVERT: C 2245 GLN cc_start: 0.9522 (OUTLIER) cc_final: 0.8839 (mm-40) REVERT: C 2336 ARG cc_start: 0.8941 (OUTLIER) cc_final: 0.8543 (ttp-110) REVERT: C 2364 PHE cc_start: 0.7569 (OUTLIER) cc_final: 0.6676 (m-80) REVERT: C 2420 HIS cc_start: 0.8274 (OUTLIER) cc_final: 0.7854 (t70) REVERT: C 2458 ARG cc_start: 0.7819 (OUTLIER) cc_final: 0.7519 (tpt90) REVERT: C 2777 TYR cc_start: -0.1366 (OUTLIER) cc_final: -0.1645 (m-80) REVERT: C 2779 GLU cc_start: 0.1969 (OUTLIER) cc_final: 0.0578 (mt-10) REVERT: C 2809 ILE cc_start: 0.0196 (OUTLIER) cc_final: -0.0366 (mt) REVERT: C 2874 MET cc_start: 0.3964 (mpp) cc_final: 0.3418 (mpp) REVERT: C 3642 TYR cc_start: 0.7695 (OUTLIER) cc_final: 0.6544 (p90) REVERT: C 3643 ASN cc_start: 0.7588 (OUTLIER) cc_final: 0.7259 (p0) REVERT: C 3647 HIS cc_start: 0.8051 (OUTLIER) cc_final: 0.7402 (p90) REVERT: C 3658 LYS cc_start: 0.5630 (OUTLIER) cc_final: 0.5408 (tppt) REVERT: C 3669 PHE cc_start: 0.8796 (OUTLIER) cc_final: 0.8124 (p90) REVERT: C 3712 GLU cc_start: 0.8946 (OUTLIER) cc_final: 0.8691 (pm20) REVERT: C 3753 PHE cc_start: 0.8026 (OUTLIER) cc_final: 0.7738 (t80) REVERT: C 3805 LEU cc_start: 0.9595 (OUTLIER) cc_final: 0.9258 (pp) REVERT: C 3835 LEU cc_start: 0.9485 (OUTLIER) cc_final: 0.9178 (tt) REVERT: C 3886 ARG cc_start: 0.9259 (OUTLIER) cc_final: 0.8273 (tpt90) REVERT: C 3980 LEU cc_start: 0.9728 (OUTLIER) cc_final: 0.9522 (tt) REVERT: C 4054 ASN cc_start: 0.9046 (OUTLIER) cc_final: 0.8448 (m-40) REVERT: C 4066 LEU cc_start: 0.9458 (OUTLIER) cc_final: 0.9166 (mp) REVERT: C 4078 GLN cc_start: 0.9445 (OUTLIER) cc_final: 0.8668 (tm-30) REVERT: C 4097 MET cc_start: 0.8975 (OUTLIER) cc_final: 0.8499 (mpp) REVERT: C 4102 GLN cc_start: 0.8849 (OUTLIER) cc_final: 0.8436 (pt0) REVERT: C 4108 ILE cc_start: 0.9237 (OUTLIER) cc_final: 0.9010 (mm) REVERT: C 4125 PHE cc_start: 0.9136 (OUTLIER) cc_final: 0.8825 (p90) REVERT: C 4132 PHE cc_start: 0.8662 (OUTLIER) cc_final: 0.8207 (m-10) REVERT: C 4142 ASN cc_start: 0.9559 (OUTLIER) cc_final: 0.8963 (t0) REVERT: C 4205 TRP cc_start: 0.9599 (OUTLIER) cc_final: 0.9255 (t-100) REVERT: C 4562 LEU cc_start: 0.9196 (OUTLIER) cc_final: 0.8922 (tt) REVERT: C 4580 TYR cc_start: 0.9446 (OUTLIER) cc_final: 0.8054 (m-80) REVERT: C 4698 LYS cc_start: 0.7918 (OUTLIER) cc_final: 0.7711 (mmtt) REVERT: C 4736 ARG cc_start: 0.9195 (OUTLIER) cc_final: 0.8494 (mtp85) REVERT: C 4796 MET cc_start: 0.9006 (tmm) cc_final: 0.8633 (tmm) REVERT: C 4839 MET cc_start: 0.8785 (mmm) cc_final: 0.8560 (mmm) REVERT: C 4884 LEU cc_start: 0.8949 (OUTLIER) cc_final: 0.8724 (tt) REVERT: C 4892 ARG cc_start: 0.9214 (OUTLIER) cc_final: 0.7286 (ttp80) REVERT: C 4913 ARG cc_start: 0.8963 (OUTLIER) cc_final: 0.8053 (tpt90) REVERT: C 4953 ASP cc_start: 0.8999 (OUTLIER) cc_final: 0.8651 (t0) REVERT: C 5020 ASP cc_start: 0.9436 (OUTLIER) cc_final: 0.9181 (m-30) REVERT: D 50 GLU cc_start: 0.8638 (OUTLIER) cc_final: 0.8010 (tp30) REVERT: D 69 LEU cc_start: 0.8987 (OUTLIER) cc_final: 0.8753 (pt) REVERT: D 80 GLU cc_start: 0.8994 (OUTLIER) cc_final: 0.8312 (mp0) REVERT: D 159 GLU cc_start: 0.8826 (OUTLIER) cc_final: 0.8495 (tm-30) REVERT: D 177 GLU cc_start: 0.9316 (OUTLIER) cc_final: 0.8843 (mp0) REVERT: D 229 GLU cc_start: 0.7681 (OUTLIER) cc_final: 0.7332 (tt0) REVERT: D 243 ARG cc_start: 0.8513 (OUTLIER) cc_final: 0.7163 (mmm160) REVERT: D 276 TRP cc_start: 0.7201 (OUTLIER) cc_final: 0.6726 (m100) REVERT: D 419 ASP cc_start: 0.8550 (OUTLIER) cc_final: 0.8209 (m-30) REVERT: D 524 GLU cc_start: 0.8901 (OUTLIER) cc_final: 0.8514 (mp0) REVERT: D 553 ARG cc_start: 0.8500 (OUTLIER) cc_final: 0.7719 (tmt-80) REVERT: D 581 ASN cc_start: 0.8055 (OUTLIER) cc_final: 0.7787 (p0) REVERT: D 629 ARG cc_start: 0.8897 (OUTLIER) cc_final: 0.8561 (mtp85) REVERT: D 659 TYR cc_start: 0.5725 (OUTLIER) cc_final: 0.4798 (m-80) REVERT: D 662 TRP cc_start: 0.7389 (OUTLIER) cc_final: 0.6849 (m100) REVERT: D 663 TYR cc_start: 0.6592 (OUTLIER) cc_final: 0.6119 (t80) REVERT: D 683 ARG cc_start: 0.8222 (OUTLIER) cc_final: 0.5156 (mmt90) REVERT: D 700 GLU cc_start: 0.7681 (OUTLIER) cc_final: 0.7322 (mp0) REVERT: D 818 ARG cc_start: 0.7241 (OUTLIER) cc_final: 0.6973 (ttt180) REVERT: D 831 ARG cc_start: 0.8842 (OUTLIER) cc_final: 0.8416 (ptp-170) REVERT: D 869 ARG cc_start: 0.6381 (OUTLIER) cc_final: 0.5285 (ptt180) REVERT: D 870 ILE cc_start: 0.6260 (OUTLIER) cc_final: 0.5318 (mm) REVERT: D 893 TYR cc_start: 0.4938 (OUTLIER) cc_final: 0.4108 (p90) REVERT: D 944 GLU cc_start: 0.2149 (OUTLIER) cc_final: 0.1758 (tt0) REVERT: D 1036 ARG cc_start: 0.6802 (OUTLIER) cc_final: 0.5230 (tmt170) REVERT: D 1044 ARG cc_start: 0.3091 (OUTLIER) cc_final: 0.2190 (tpp80) REVERT: D 1110 ARG cc_start: 0.9115 (OUTLIER) cc_final: 0.8816 (ptp-110) REVERT: D 1120 LEU cc_start: 0.9403 (OUTLIER) cc_final: 0.9175 (mm) REVERT: D 1133 HIS cc_start: 0.9380 (OUTLIER) cc_final: 0.8784 (t-170) REVERT: D 1141 ARG cc_start: 0.8846 (OUTLIER) cc_final: 0.8140 (ptm160) REVERT: D 1152 MET cc_start: 0.8695 (OUTLIER) cc_final: 0.8475 (mtm) REVERT: D 1202 LEU cc_start: 0.9335 (OUTLIER) cc_final: 0.8861 (tp) REVERT: D 1204 LEU cc_start: 0.9192 (OUTLIER) cc_final: 0.8936 (mm) REVERT: D 1232 ARG cc_start: 0.9089 (OUTLIER) cc_final: 0.8739 (ptt90) REVERT: D 1242 LEU cc_start: 0.9303 (OUTLIER) cc_final: 0.9065 (mp) REVERT: D 1255 TYR cc_start: 0.8859 (OUTLIER) cc_final: 0.7477 (m-80) REVERT: D 1655 GLU cc_start: 0.8890 (OUTLIER) cc_final: 0.7994 (tm-30) REVERT: D 1657 LEU cc_start: 0.9747 (OUTLIER) cc_final: 0.9408 (mm) REVERT: D 1703 LEU cc_start: 0.9580 (OUTLIER) cc_final: 0.9260 (mt) REVERT: D 1714 LEU cc_start: 0.9455 (OUTLIER) cc_final: 0.8972 (mp) REVERT: D 1734 TYR cc_start: 0.9068 (OUTLIER) cc_final: 0.8790 (m-80) REVERT: D 1813 ARG cc_start: 0.9224 (OUTLIER) cc_final: 0.8315 (ttp80) REVERT: D 1939 MET cc_start: 0.9084 (mmm) cc_final: 0.8805 (tpp) REVERT: D 1963 GLU cc_start: 0.8436 (OUTLIER) cc_final: 0.8154 (pp20) REVERT: D 1973 GLN cc_start: 0.7541 (OUTLIER) cc_final: 0.7126 (tm-30) REVERT: D 2028 ARG cc_start: 0.8831 (OUTLIER) cc_final: 0.8616 (ptt180) REVERT: D 2126 ARG cc_start: 0.9495 (OUTLIER) cc_final: 0.9226 (mtp85) REVERT: D 2191 PHE cc_start: 0.9134 (OUTLIER) cc_final: 0.8312 (t80) REVERT: D 2245 GLN cc_start: 0.9528 (OUTLIER) cc_final: 0.8839 (mm-40) REVERT: D 2336 ARG cc_start: 0.8945 (OUTLIER) cc_final: 0.8543 (ttp-110) REVERT: D 2364 PHE cc_start: 0.7534 (OUTLIER) cc_final: 0.6655 (m-80) REVERT: D 2420 HIS cc_start: 0.8297 (OUTLIER) cc_final: 0.7904 (t70) REVERT: D 2458 ARG cc_start: 0.7828 (OUTLIER) cc_final: 0.7523 (tpt90) REVERT: D 2777 TYR cc_start: -0.1162 (OUTLIER) cc_final: -0.1472 (m-80) REVERT: D 2779 GLU cc_start: 0.2004 (OUTLIER) cc_final: 0.0608 (mt-10) REVERT: D 2809 ILE cc_start: 0.0369 (OUTLIER) cc_final: -0.0162 (mt) REVERT: D 2886 TRP cc_start: 0.7663 (m-10) cc_final: 0.7462 (m100) REVERT: D 3642 TYR cc_start: 0.7689 (OUTLIER) cc_final: 0.6524 (p90) REVERT: D 3643 ASN cc_start: 0.7539 (OUTLIER) cc_final: 0.7163 (p0) REVERT: D 3647 HIS cc_start: 0.8074 (OUTLIER) cc_final: 0.7490 (p90) REVERT: D 3669 PHE cc_start: 0.8840 (OUTLIER) cc_final: 0.8364 (p90) REVERT: D 3677 LEU cc_start: 0.9300 (OUTLIER) cc_final: 0.9038 (tt) REVERT: D 3712 GLU cc_start: 0.8948 (OUTLIER) cc_final: 0.8604 (pm20) REVERT: D 3753 PHE cc_start: 0.7974 (OUTLIER) cc_final: 0.7617 (t80) REVERT: D 3805 LEU cc_start: 0.9473 (OUTLIER) cc_final: 0.9182 (pp) REVERT: D 3835 LEU cc_start: 0.9480 (OUTLIER) cc_final: 0.9178 (tt) REVERT: D 4054 ASN cc_start: 0.9075 (OUTLIER) cc_final: 0.8476 (m-40) REVERT: D 4066 LEU cc_start: 0.9469 (OUTLIER) cc_final: 0.9198 (mp) REVERT: D 4078 GLN cc_start: 0.9453 (OUTLIER) cc_final: 0.8669 (tm-30) REVERT: D 4097 MET cc_start: 0.8974 (OUTLIER) cc_final: 0.8546 (mpp) REVERT: D 4102 GLN cc_start: 0.8848 (OUTLIER) cc_final: 0.8420 (pt0) REVERT: D 4108 ILE cc_start: 0.9240 (OUTLIER) cc_final: 0.9002 (mm) REVERT: D 4125 PHE cc_start: 0.9142 (OUTLIER) cc_final: 0.8874 (p90) REVERT: D 4132 PHE cc_start: 0.8648 (OUTLIER) cc_final: 0.8167 (m-10) REVERT: D 4142 ASN cc_start: 0.9559 (OUTLIER) cc_final: 0.8970 (t0) REVERT: D 4205 TRP cc_start: 0.9591 (OUTLIER) cc_final: 0.9249 (t-100) REVERT: D 4562 LEU cc_start: 0.9191 (OUTLIER) cc_final: 0.8890 (tt) REVERT: D 4563 ARG cc_start: 0.8969 (OUTLIER) cc_final: 0.8305 (tpt90) REVERT: D 4580 TYR cc_start: 0.9453 (OUTLIER) cc_final: 0.8078 (m-80) REVERT: D 4698 LYS cc_start: 0.7918 (OUTLIER) cc_final: 0.7716 (mmtt) REVERT: D 4736 ARG cc_start: 0.9176 (OUTLIER) cc_final: 0.8480 (mtp85) REVERT: D 4839 MET cc_start: 0.8822 (mmm) cc_final: 0.8595 (mmm) REVERT: D 4953 ASP cc_start: 0.8977 (OUTLIER) cc_final: 0.8618 (t0) REVERT: D 4957 LYS cc_start: 0.9023 (OUTLIER) cc_final: 0.8623 (mmtp) REVERT: D 5020 ASP cc_start: 0.9479 (OUTLIER) cc_final: 0.9199 (m-30) REVERT: B 50 GLU cc_start: 0.8638 (OUTLIER) cc_final: 0.8002 (tp30) REVERT: B 80 GLU cc_start: 0.8981 (OUTLIER) cc_final: 0.8303 (mp0) REVERT: B 159 GLU cc_start: 0.8828 (OUTLIER) cc_final: 0.8499 (tm-30) REVERT: B 229 GLU cc_start: 0.7655 (OUTLIER) cc_final: 0.7312 (tt0) REVERT: B 243 ARG cc_start: 0.8517 (OUTLIER) cc_final: 0.7242 (mmm160) REVERT: B 276 TRP cc_start: 0.7250 (OUTLIER) cc_final: 0.6880 (m100) REVERT: B 283 ARG cc_start: 0.8047 (OUTLIER) cc_final: 0.7306 (ttm170) REVERT: B 320 LYS cc_start: 0.4789 (OUTLIER) cc_final: 0.4588 (mmmt) REVERT: B 403 MET cc_start: 0.8863 (mtp) cc_final: 0.8516 (mtp) REVERT: B 419 ASP cc_start: 0.8543 (OUTLIER) cc_final: 0.8220 (m-30) REVERT: B 520 ASN cc_start: 0.9357 (OUTLIER) cc_final: 0.9157 (t0) REVERT: B 524 GLU cc_start: 0.8900 (OUTLIER) cc_final: 0.8481 (mp0) REVERT: B 581 ASN cc_start: 0.8010 (OUTLIER) cc_final: 0.7738 (p0) REVERT: B 629 ARG cc_start: 0.8925 (OUTLIER) cc_final: 0.8694 (mtp85) REVERT: B 659 TYR cc_start: 0.5714 (OUTLIER) cc_final: 0.4796 (m-80) REVERT: B 662 TRP cc_start: 0.7436 (OUTLIER) cc_final: 0.6884 (m100) REVERT: B 663 TYR cc_start: 0.6546 (OUTLIER) cc_final: 0.6055 (t80) REVERT: B 683 ARG cc_start: 0.8233 (OUTLIER) cc_final: 0.5214 (mmt90) REVERT: B 700 GLU cc_start: 0.7674 (OUTLIER) cc_final: 0.7311 (mp0) REVERT: B 831 ARG cc_start: 0.8834 (OUTLIER) cc_final: 0.8405 (ptp-170) REVERT: B 869 ARG cc_start: 0.6378 (OUTLIER) cc_final: 0.4922 (ptt180) REVERT: B 870 ILE cc_start: 0.6209 (OUTLIER) cc_final: 0.5027 (mm) REVERT: B 893 TYR cc_start: 0.5117 (OUTLIER) cc_final: 0.4227 (p90) REVERT: B 944 GLU cc_start: 0.2322 (OUTLIER) cc_final: 0.1905 (tt0) REVERT: B 1036 ARG cc_start: 0.6801 (OUTLIER) cc_final: 0.5234 (tmt170) REVERT: B 1044 ARG cc_start: 0.3083 (OUTLIER) cc_final: 0.2172 (tpp80) REVERT: B 1110 ARG cc_start: 0.9108 (OUTLIER) cc_final: 0.8805 (ptp-110) REVERT: B 1120 LEU cc_start: 0.9404 (OUTLIER) cc_final: 0.9178 (mm) REVERT: B 1133 HIS cc_start: 0.9366 (OUTLIER) cc_final: 0.8760 (t-170) REVERT: B 1141 ARG cc_start: 0.8846 (OUTLIER) cc_final: 0.8141 (ptm160) REVERT: B 1152 MET cc_start: 0.8689 (OUTLIER) cc_final: 0.8447 (mtm) REVERT: B 1202 LEU cc_start: 0.9296 (OUTLIER) cc_final: 0.8859 (tp) REVERT: B 1232 ARG cc_start: 0.9097 (OUTLIER) cc_final: 0.8744 (ptt90) REVERT: B 1242 LEU cc_start: 0.9331 (OUTLIER) cc_final: 0.9097 (mp) REVERT: B 1255 TYR cc_start: 0.8849 (OUTLIER) cc_final: 0.7451 (m-80) REVERT: B 1630 CYS cc_start: 0.8409 (OUTLIER) cc_final: 0.8036 (p) REVERT: B 1655 GLU cc_start: 0.8893 (OUTLIER) cc_final: 0.7983 (tm-30) REVERT: B 1657 LEU cc_start: 0.9750 (OUTLIER) cc_final: 0.9419 (mm) REVERT: B 1703 LEU cc_start: 0.9581 (OUTLIER) cc_final: 0.9261 (mt) REVERT: B 1714 LEU cc_start: 0.9447 (OUTLIER) cc_final: 0.8964 (mp) REVERT: B 1727 ARG cc_start: 0.8714 (OUTLIER) cc_final: 0.8191 (tpp80) REVERT: B 1733 GLU cc_start: 0.8620 (OUTLIER) cc_final: 0.8024 (mp0) REVERT: B 1771 LEU cc_start: 0.9267 (OUTLIER) cc_final: 0.8911 (mp) REVERT: B 1813 ARG cc_start: 0.9222 (OUTLIER) cc_final: 0.8249 (ttp80) REVERT: B 1939 MET cc_start: 0.9107 (mmm) cc_final: 0.8854 (mmm) REVERT: B 1958 LEU cc_start: 0.9142 (OUTLIER) cc_final: 0.8688 (tt) REVERT: B 1963 GLU cc_start: 0.8430 (OUTLIER) cc_final: 0.8095 (pp20) REVERT: B 1965 TYR cc_start: 0.8071 (OUTLIER) cc_final: 0.7598 (t80) REVERT: B 1973 GLN cc_start: 0.7515 (OUTLIER) cc_final: 0.7122 (tm-30) REVERT: B 2028 ARG cc_start: 0.8829 (OUTLIER) cc_final: 0.8621 (ptt180) REVERT: B 2126 ARG cc_start: 0.9495 (OUTLIER) cc_final: 0.9207 (mtp85) REVERT: B 2191 PHE cc_start: 0.9134 (OUTLIER) cc_final: 0.8321 (t80) REVERT: B 2245 GLN cc_start: 0.9519 (OUTLIER) cc_final: 0.8832 (mm-40) REVERT: B 2336 ARG cc_start: 0.8947 (OUTLIER) cc_final: 0.8557 (ttp-110) REVERT: B 2364 PHE cc_start: 0.7583 (OUTLIER) cc_final: 0.6669 (m-80) REVERT: B 2420 HIS cc_start: 0.8238 (OUTLIER) cc_final: 0.7842 (t70) REVERT: B 2458 ARG cc_start: 0.7813 (OUTLIER) cc_final: 0.7515 (tpt90) REVERT: B 2777 TYR cc_start: -0.1161 (OUTLIER) cc_final: -0.1464 (m-80) REVERT: B 2779 GLU cc_start: 0.2001 (OUTLIER) cc_final: 0.0604 (mt-10) REVERT: B 2809 ILE cc_start: 0.0450 (OUTLIER) cc_final: -0.0141 (mt) REVERT: B 2908 TYR cc_start: 0.6001 (OUTLIER) cc_final: 0.5724 (t80) REVERT: B 3642 TYR cc_start: 0.7720 (OUTLIER) cc_final: 0.6567 (p90) REVERT: B 3643 ASN cc_start: 0.7551 (OUTLIER) cc_final: 0.7195 (p0) REVERT: B 3647 HIS cc_start: 0.8038 (OUTLIER) cc_final: 0.7373 (p90) REVERT: B 3669 PHE cc_start: 0.8852 (OUTLIER) cc_final: 0.8233 (p90) REVERT: B 3712 GLU cc_start: 0.8946 (OUTLIER) cc_final: 0.8600 (pm20) REVERT: B 3753 PHE cc_start: 0.7985 (OUTLIER) cc_final: 0.7629 (t80) REVERT: B 3805 LEU cc_start: 0.9538 (OUTLIER) cc_final: 0.9219 (pp) REVERT: B 3835 LEU cc_start: 0.9494 (OUTLIER) cc_final: 0.9191 (tt) REVERT: B 4054 ASN cc_start: 0.9070 (OUTLIER) cc_final: 0.8479 (m-40) REVERT: B 4066 LEU cc_start: 0.9473 (OUTLIER) cc_final: 0.9190 (mp) REVERT: B 4078 GLN cc_start: 0.9455 (OUTLIER) cc_final: 0.8677 (tm-30) REVERT: B 4097 MET cc_start: 0.8984 (OUTLIER) cc_final: 0.8522 (mpp) REVERT: B 4102 GLN cc_start: 0.8852 (OUTLIER) cc_final: 0.8421 (pt0) REVERT: B 4108 ILE cc_start: 0.9220 (OUTLIER) cc_final: 0.8963 (mm) REVERT: B 4125 PHE cc_start: 0.9163 (OUTLIER) cc_final: 0.8893 (p90) REVERT: B 4132 PHE cc_start: 0.8643 (OUTLIER) cc_final: 0.8167 (m-10) REVERT: B 4142 ASN cc_start: 0.9560 (OUTLIER) cc_final: 0.8976 (t0) REVERT: B 4205 TRP cc_start: 0.9583 (OUTLIER) cc_final: 0.9245 (t-100) REVERT: B 4562 LEU cc_start: 0.9194 (OUTLIER) cc_final: 0.8892 (tt) REVERT: B 4563 ARG cc_start: 0.8952 (OUTLIER) cc_final: 0.8298 (tpt90) REVERT: B 4580 TYR cc_start: 0.9451 (OUTLIER) cc_final: 0.8072 (m-80) REVERT: B 4736 ARG cc_start: 0.9183 (OUTLIER) cc_final: 0.8483 (mtp85) REVERT: B 4796 MET cc_start: 0.9024 (tmm) cc_final: 0.8640 (tmm) REVERT: B 4839 MET cc_start: 0.8802 (mmm) cc_final: 0.8579 (mmm) REVERT: B 4865 LYS cc_start: 0.7148 (OUTLIER) cc_final: 0.5891 (ptpp) REVERT: B 4876 CYS cc_start: 0.6953 (OUTLIER) cc_final: 0.6679 (t) REVERT: B 4953 ASP cc_start: 0.8962 (OUTLIER) cc_final: 0.8617 (t0) REVERT: B 5020 ASP cc_start: 0.9464 (OUTLIER) cc_final: 0.9184 (m-30) outliers start: 2840 outliers final: 2033 residues processed: 3243 average time/residue: 0.9813 time to fit residues: 5703.3789 Evaluate side-chains 2910 residues out of total 11248 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2367 poor density : 543 time to evaluate : 8.739 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 13 PHE Chi-restraints excluded: chain A residue 17 ASP Chi-restraints excluded: chain A residue 20 VAL Chi-restraints excluded: chain A residue 21 VAL Chi-restraints excluded: chain A residue 24 CYS Chi-restraints excluded: chain A residue 28 VAL Chi-restraints excluded: chain A residue 37 LEU Chi-restraints excluded: chain A residue 49 LEU Chi-restraints excluded: chain A residue 50 GLU Chi-restraints excluded: chain A residue 57 ASN Chi-restraints excluded: chain A residue 58 VAL Chi-restraints excluded: chain A residue 64 ILE Chi-restraints excluded: chain A residue 68 THR Chi-restraints excluded: chain A residue 69 LEU Chi-restraints excluded: chain A residue 71 GLN Chi-restraints excluded: chain A residue 74 SER Chi-restraints excluded: chain A residue 75 VAL Chi-restraints excluded: chain A residue 80 GLU Chi-restraints excluded: chain A residue 81 MET Chi-restraints excluded: chain A residue 107 ILE Chi-restraints excluded: chain A residue 109 LEU Chi-restraints excluded: chain A residue 111 HIS Chi-restraints excluded: chain A residue 114 SER Chi-restraints excluded: chain A residue 115 ARG Chi-restraints excluded: chain A residue 119 SER Chi-restraints excluded: chain A residue 124 SER Chi-restraints excluded: chain A residue 131 LEU Chi-restraints excluded: chain A residue 138 GLN Chi-restraints excluded: chain A residue 144 GLU Chi-restraints excluded: chain A residue 149 THR Chi-restraints excluded: chain A residue 154 SER Chi-restraints excluded: chain A residue 159 GLU Chi-restraints excluded: chain A residue 161 GLU Chi-restraints excluded: chain A residue 162 LYS Chi-restraints excluded: chain A residue 164 ARG Chi-restraints excluded: chain A residue 165 VAL Chi-restraints excluded: chain A residue 167 ASP Chi-restraints excluded: chain A residue 170 ILE Chi-restraints excluded: chain A residue 173 SER Chi-restraints excluded: chain A residue 174 VAL Chi-restraints excluded: chain A residue 192 ASP Chi-restraints excluded: chain A residue 194 SER Chi-restraints excluded: chain A residue 206 CYS Chi-restraints excluded: chain A residue 211 GLU Chi-restraints excluded: chain A residue 215 THR Chi-restraints excluded: chain A residue 219 VAL Chi-restraints excluded: chain A residue 222 LEU Chi-restraints excluded: chain A residue 226 HIS Chi-restraints excluded: chain A residue 229 GLU Chi-restraints excluded: chain A residue 232 THR Chi-restraints excluded: chain A residue 240 ASP Chi-restraints excluded: chain A residue 243 ARG Chi-restraints excluded: chain A residue 258 SER Chi-restraints excluded: chain A residue 260 TRP Chi-restraints excluded: chain A residue 262 LEU Chi-restraints excluded: chain A residue 267 ILE Chi-restraints excluded: chain A residue 276 TRP Chi-restraints excluded: chain A residue 281 ARG Chi-restraints excluded: chain A residue 283 ARG Chi-restraints excluded: chain A residue 285 VAL Chi-restraints excluded: chain A residue 286 THR Chi-restraints excluded: chain A residue 287 THR Chi-restraints excluded: chain A residue 299 LEU Chi-restraints excluded: chain A residue 300 VAL Chi-restraints excluded: chain A residue 302 VAL Chi-restraints excluded: chain A residue 303 ASP Chi-restraints excluded: chain A residue 312 THR Chi-restraints excluded: chain A residue 313 SER Chi-restraints excluded: chain A residue 318 VAL Chi-restraints excluded: chain A residue 343 GLU Chi-restraints excluded: chain A residue 345 LEU Chi-restraints excluded: chain A residue 348 VAL Chi-restraints excluded: chain A residue 357 LEU Chi-restraints excluded: chain A residue 358 THR Chi-restraints excluded: chain A residue 359 TYR Chi-restraints excluded: chain A residue 373 LYS Chi-restraints excluded: chain A residue 381 GLU Chi-restraints excluded: chain A residue 389 PHE Chi-restraints excluded: chain A residue 390 LEU Chi-restraints excluded: chain A residue 396 GLU Chi-restraints excluded: chain A residue 419 ASP Chi-restraints excluded: chain A residue 422 SER Chi-restraints excluded: chain A residue 424 LYS Chi-restraints excluded: chain A residue 436 LEU Chi-restraints excluded: chain A residue 444 SER Chi-restraints excluded: chain A residue 453 GLU Chi-restraints excluded: chain A residue 455 PRO Chi-restraints excluded: chain A residue 456 SER Chi-restraints excluded: chain A residue 457 GLU Chi-restraints excluded: chain A residue 459 LEU Chi-restraints excluded: chain A residue 469 ARG Chi-restraints excluded: chain A residue 470 SER Chi-restraints excluded: chain A residue 472 ARG Chi-restraints excluded: chain A residue 477 LEU Chi-restraints excluded: chain A residue 478 PHE Chi-restraints excluded: chain A residue 483 MET Chi-restraints excluded: chain A residue 487 VAL Chi-restraints excluded: chain A residue 488 LEU Chi-restraints excluded: chain A residue 494 LEU Chi-restraints excluded: chain A residue 497 TYR Chi-restraints excluded: chain A residue 499 THR Chi-restraints excluded: chain A residue 503 PHE Chi-restraints excluded: chain A residue 510 GLU Chi-restraints excluded: chain A residue 514 SER Chi-restraints excluded: chain A residue 517 GLU Chi-restraints excluded: chain A residue 519 VAL Chi-restraints excluded: chain A residue 520 ASN Chi-restraints excluded: chain A residue 524 GLU Chi-restraints excluded: chain A residue 526 LEU Chi-restraints excluded: chain A residue 534 ARG Chi-restraints excluded: chain A residue 537 CYS Chi-restraints excluded: chain A residue 542 THR Chi-restraints excluded: chain A residue 549 SER Chi-restraints excluded: chain A residue 554 LEU Chi-restraints excluded: chain A residue 557 SER Chi-restraints excluded: chain A residue 566 CYS Chi-restraints excluded: chain A residue 569 ILE Chi-restraints excluded: chain A residue 570 GLU Chi-restraints excluded: chain A residue 573 GLU Chi-restraints excluded: chain A residue 578 ILE Chi-restraints excluded: chain A residue 581 ASN Chi-restraints excluded: chain A residue 587 ILE Chi-restraints excluded: chain A residue 600 LEU Chi-restraints excluded: chain A residue 608 VAL Chi-restraints excluded: chain A residue 614 VAL Chi-restraints excluded: chain A residue 616 SER Chi-restraints excluded: chain A residue 622 THR Chi-restraints excluded: chain A residue 634 GLN Chi-restraints excluded: chain A residue 637 LEU Chi-restraints excluded: chain A residue 641 VAL Chi-restraints excluded: chain A residue 643 SER Chi-restraints excluded: chain A residue 648 ILE Chi-restraints excluded: chain A residue 650 VAL Chi-restraints excluded: chain A residue 659 TYR Chi-restraints excluded: chain A residue 661 LYS Chi-restraints excluded: chain A residue 662 TRP Chi-restraints excluded: chain A residue 663 TYR Chi-restraints excluded: chain A residue 668 VAL Chi-restraints excluded: chain A residue 669 ASP Chi-restraints excluded: chain A residue 671 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 700 GLU Chi-restraints excluded: chain A residue 707 VAL Chi-restraints excluded: chain A residue 710 ASP Chi-restraints excluded: chain A residue 716 PHE Chi-restraints excluded: chain A residue 719 LEU Chi-restraints excluded: chain A residue 720 HIS Chi-restraints excluded: chain A residue 726 VAL Chi-restraints excluded: chain A residue 730 VAL Chi-restraints excluded: chain A residue 737 LEU Chi-restraints excluded: chain A residue 744 VAL Chi-restraints excluded: chain A residue 752 VAL Chi-restraints excluded: chain A residue 754 SER Chi-restraints excluded: chain A residue 758 ARG Chi-restraints excluded: chain A residue 776 LEU Chi-restraints excluded: chain A residue 780 VAL Chi-restraints excluded: chain A residue 784 SER Chi-restraints excluded: chain A residue 788 LYS Chi-restraints excluded: chain A residue 790 ARG Chi-restraints excluded: chain A residue 791 PHE Chi-restraints excluded: chain A residue 793 LEU Chi-restraints excluded: chain A residue 800 PHE Chi-restraints excluded: chain A residue 803 LEU Chi-restraints excluded: chain A residue 811 CYS Chi-restraints excluded: chain A residue 812 HIS Chi-restraints excluded: chain A residue 818 ARG Chi-restraints excluded: chain A residue 831 ARG Chi-restraints excluded: chain A residue 835 ARG Chi-restraints excluded: chain A residue 840 VAL Chi-restraints excluded: chain A residue 850 ASP Chi-restraints excluded: chain A residue 867 LEU Chi-restraints excluded: chain A residue 868 GLU Chi-restraints excluded: chain A residue 869 ARG Chi-restraints excluded: chain A residue 870 ILE Chi-restraints excluded: chain A residue 884 LEU Chi-restraints excluded: chain A residue 887 ILE Chi-restraints excluded: chain A residue 891 TRP Chi-restraints excluded: chain A residue 893 TYR Chi-restraints excluded: chain A residue 907 LEU Chi-restraints excluded: chain A residue 931 THR Chi-restraints excluded: chain A residue 944 GLU Chi-restraints excluded: chain A residue 974 HIS Chi-restraints excluded: chain A residue 978 THR Chi-restraints excluded: chain A residue 1034 SER Chi-restraints excluded: chain A residue 1036 ARG Chi-restraints excluded: chain A residue 1037 ASP Chi-restraints excluded: chain A residue 1044 ARG Chi-restraints excluded: chain A residue 1046 LEU Chi-restraints excluded: chain A residue 1076 ARG Chi-restraints excluded: chain A residue 1079 LYS Chi-restraints excluded: chain A residue 1080 SER Chi-restraints excluded: chain A residue 1082 THR Chi-restraints excluded: chain A residue 1083 VAL Chi-restraints excluded: chain A residue 1099 GLU Chi-restraints excluded: chain A residue 1102 VAL Chi-restraints excluded: chain A residue 1110 ARG Chi-restraints excluded: chain A residue 1112 ASP Chi-restraints excluded: chain A residue 1113 VAL Chi-restraints excluded: chain A residue 1120 LEU Chi-restraints excluded: chain A residue 1127 HIS Chi-restraints excluded: chain A residue 1133 HIS Chi-restraints excluded: chain A residue 1134 LEU Chi-restraints excluded: chain A residue 1139 PHE Chi-restraints excluded: chain A residue 1141 ARG Chi-restraints excluded: chain A residue 1148 VAL Chi-restraints excluded: chain A residue 1149 VAL Chi-restraints excluded: chain A residue 1152 MET Chi-restraints excluded: chain A residue 1153 ILE Chi-restraints excluded: chain A residue 1154 ASP Chi-restraints excluded: chain A residue 1159 THR Chi-restraints excluded: chain A residue 1164 LEU Chi-restraints excluded: chain A residue 1179 PHE Chi-restraints excluded: chain A residue 1184 ILE Chi-restraints excluded: chain A residue 1191 VAL Chi-restraints excluded: chain A residue 1193 SER Chi-restraints excluded: chain A residue 1198 GLN Chi-restraints excluded: chain A residue 1201 HIS 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 1210 SER Chi-restraints excluded: chain A residue 1214 PHE Chi-restraints excluded: chain A residue 1230 MET Chi-restraints excluded: chain A residue 1234 VAL Chi-restraints excluded: chain A residue 1241 SER Chi-restraints excluded: chain A residue 1242 LEU Chi-restraints excluded: chain A residue 1255 TYR Chi-restraints excluded: chain A residue 1260 MET Chi-restraints excluded: chain A residue 1266 THR Chi-restraints excluded: chain A residue 1274 HIS Chi-restraints excluded: chain A residue 1574 PRO 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 1608 MET Chi-restraints excluded: chain A residue 1612 PHE Chi-restraints excluded: chain A residue 1635 THR Chi-restraints excluded: chain A residue 1637 MET Chi-restraints excluded: chain A residue 1639 LEU Chi-restraints excluded: chain A residue 1647 CYS Chi-restraints excluded: chain A residue 1648 MET Chi-restraints excluded: chain A residue 1652 GLU Chi-restraints excluded: chain A residue 1653 LEU Chi-restraints excluded: chain A residue 1655 GLU Chi-restraints excluded: chain A residue 1656 ARG Chi-restraints excluded: chain A residue 1664 SER Chi-restraints excluded: chain A residue 1666 THR Chi-restraints excluded: chain A residue 1681 VAL Chi-restraints excluded: chain A residue 1687 SER Chi-restraints excluded: chain A residue 1693 GLN Chi-restraints excluded: chain A residue 1695 LEU Chi-restraints excluded: chain A residue 1702 HIS Chi-restraints excluded: chain A residue 1703 LEU Chi-restraints excluded: chain A residue 1706 PRO Chi-restraints excluded: chain A residue 1714 LEU Chi-restraints excluded: chain A residue 1716 ILE Chi-restraints excluded: chain A residue 1717 SER Chi-restraints excluded: chain A residue 1721 GLU Chi-restraints excluded: chain A residue 1724 CYS Chi-restraints excluded: chain A residue 1730 MET Chi-restraints excluded: chain A residue 1731 LEU Chi-restraints excluded: chain A residue 1733 GLU Chi-restraints excluded: chain A residue 1736 VAL Chi-restraints excluded: chain A residue 1739 THR Chi-restraints excluded: chain A residue 1742 THR Chi-restraints excluded: chain A residue 1745 ILE Chi-restraints excluded: chain A residue 1769 THR Chi-restraints excluded: chain A residue 1770 SER Chi-restraints excluded: chain A residue 1797 ARG Chi-restraints excluded: chain A residue 1798 LEU Chi-restraints excluded: chain A residue 1802 ILE Chi-restraints excluded: chain A residue 1817 GLU Chi-restraints excluded: chain A residue 1830 VAL Chi-restraints excluded: chain A residue 1833 SER Chi-restraints excluded: chain A residue 1834 VAL Chi-restraints excluded: chain A residue 1845 VAL Chi-restraints excluded: chain A residue 1847 THR Chi-restraints excluded: chain A residue 1850 VAL Chi-restraints excluded: chain A residue 1865 MET Chi-restraints excluded: chain A residue 1935 VAL Chi-restraints excluded: chain A residue 1947 CYS Chi-restraints excluded: chain A residue 1950 GLU Chi-restraints excluded: chain A residue 1953 HIS Chi-restraints excluded: chain A residue 1955 VAL Chi-restraints excluded: chain A residue 1963 GLU Chi-restraints excluded: chain A residue 1969 LEU Chi-restraints excluded: chain A residue 1973 GLN Chi-restraints excluded: chain A residue 1980 LEU Chi-restraints excluded: chain A residue 2006 ILE Chi-restraints excluded: chain A residue 2010 LEU Chi-restraints excluded: chain A residue 2011 HIS Chi-restraints excluded: chain A residue 2028 ARG Chi-restraints excluded: chain A residue 2031 LEU Chi-restraints excluded: chain A residue 2039 LEU Chi-restraints excluded: chain A residue 2041 HIS Chi-restraints excluded: chain A residue 2097 LEU Chi-restraints excluded: chain A residue 2098 VAL Chi-restraints excluded: chain A residue 2099 SER Chi-restraints excluded: chain A residue 2103 VAL Chi-restraints excluded: chain A residue 2117 VAL Chi-restraints excluded: chain A residue 2122 SER Chi-restraints excluded: chain A residue 2125 HIS Chi-restraints excluded: chain A residue 2126 ARG Chi-restraints excluded: chain A residue 2128 TYR Chi-restraints excluded: chain A residue 2140 ARG Chi-restraints excluded: chain A residue 2148 SER Chi-restraints excluded: chain A residue 2152 THR Chi-restraints excluded: chain A residue 2164 SER Chi-restraints excluded: chain A residue 2166 LEU Chi-restraints excluded: chain A residue 2167 ILE Chi-restraints excluded: chain A residue 2172 PRO Chi-restraints excluded: chain A residue 2187 ASN Chi-restraints excluded: chain A residue 2191 PHE Chi-restraints excluded: chain A residue 2192 TYR Chi-restraints excluded: chain A residue 2194 HIS Chi-restraints excluded: chain A residue 2198 MET Chi-restraints excluded: chain A residue 2210 VAL Chi-restraints excluded: chain A residue 2215 LEU Chi-restraints excluded: chain A residue 2223 ILE Chi-restraints excluded: chain A residue 2229 VAL Chi-restraints excluded: chain A residue 2240 CYS Chi-restraints excluded: chain A residue 2245 GLN Chi-restraints excluded: chain A residue 2246 ASN Chi-restraints excluded: chain A residue 2249 SER Chi-restraints excluded: chain A residue 2253 HIS Chi-restraints excluded: chain A residue 2273 LEU Chi-restraints excluded: chain A residue 2274 ASP Chi-restraints excluded: chain A residue 2275 VAL Chi-restraints excluded: chain A residue 2279 SER Chi-restraints excluded: chain A residue 2281 ILE Chi-restraints excluded: chain A residue 2286 LEU Chi-restraints excluded: chain A residue 2290 LEU Chi-restraints excluded: chain A residue 2299 VAL Chi-restraints excluded: chain A residue 2300 SER Chi-restraints excluded: chain A residue 2301 TYR Chi-restraints excluded: chain A residue 2302 LEU Chi-restraints excluded: chain A residue 2336 ARG Chi-restraints excluded: chain A residue 2341 VAL Chi-restraints excluded: chain A residue 2358 ILE Chi-restraints excluded: chain A residue 2364 PHE Chi-restraints excluded: chain A residue 2418 LEU Chi-restraints excluded: chain A residue 2420 HIS Chi-restraints excluded: chain A residue 2438 PRO Chi-restraints excluded: chain A residue 2442 LEU Chi-restraints excluded: chain A residue 2443 ILE Chi-restraints excluded: chain A residue 2451 LEU Chi-restraints excluded: chain A residue 2456 ILE Chi-restraints excluded: chain A residue 2457 LEU Chi-restraints excluded: chain A residue 2458 ARG Chi-restraints excluded: chain A residue 2460 LEU Chi-restraints excluded: chain A residue 2470 ILE Chi-restraints excluded: chain A residue 2752 ASP Chi-restraints excluded: chain A residue 2761 TYR Chi-restraints excluded: chain A residue 2762 THR Chi-restraints excluded: chain A residue 2777 TYR Chi-restraints excluded: chain A residue 2779 GLU Chi-restraints excluded: chain A residue 2807 TRP Chi-restraints excluded: chain A residue 2809 ILE Chi-restraints excluded: chain A residue 2811 GLU Chi-restraints excluded: chain A residue 2869 ARG Chi-restraints excluded: chain A residue 2872 GLN Chi-restraints excluded: chain A residue 2882 TYR Chi-restraints excluded: chain A residue 2883 HIS Chi-restraints excluded: chain A residue 2889 LYS Chi-restraints excluded: chain A residue 2892 GLN Chi-restraints excluded: chain A residue 2894 LEU Chi-restraints excluded: chain A residue 2895 GLU Chi-restraints excluded: chain A residue 2901 THR Chi-restraints excluded: chain A residue 2906 VAL Chi-restraints excluded: chain A residue 2908 TYR Chi-restraints excluded: chain A residue 2912 THR Chi-restraints excluded: chain A residue 2921 GLU Chi-restraints excluded: chain A residue 2927 LEU Chi-restraints excluded: chain A residue 2928 LYS Chi-restraints excluded: chain A residue 2932 MET Chi-restraints excluded: chain A residue 3641 LEU Chi-restraints excluded: chain A residue 3642 TYR Chi-restraints excluded: chain A residue 3643 ASN Chi-restraints excluded: chain A residue 3647 HIS Chi-restraints excluded: chain A residue 3648 ARG Chi-restraints excluded: chain A residue 3656 SER Chi-restraints excluded: chain A residue 3657 TYR Chi-restraints excluded: chain A residue 3658 LYS Chi-restraints excluded: chain A residue 3661 TRP Chi-restraints excluded: chain A residue 3663 LEU Chi-restraints excluded: chain A residue 3669 PHE Chi-restraints excluded: chain A residue 3674 ILE Chi-restraints excluded: chain A residue 3678 SER Chi-restraints excluded: chain A residue 3696 ASP Chi-restraints excluded: chain A residue 3703 LEU Chi-restraints excluded: chain A residue 3706 SER Chi-restraints excluded: chain A residue 3708 THR Chi-restraints excluded: chain A residue 3710 LEU Chi-restraints excluded: chain A residue 3711 THR Chi-restraints excluded: chain A residue 3712 GLU Chi-restraints excluded: chain A residue 3727 ASP Chi-restraints excluded: chain A residue 3728 ILE Chi-restraints excluded: chain A residue 3731 LYS Chi-restraints excluded: chain A residue 3733 CYS Chi-restraints excluded: chain A residue 3751 VAL Chi-restraints excluded: chain A residue 3752 SER Chi-restraints excluded: chain A residue 3753 PHE Chi-restraints excluded: chain A residue 3761 GLN Chi-restraints excluded: chain A residue 3762 ARG Chi-restraints excluded: chain A residue 3764 LEU Chi-restraints excluded: chain A residue 3768 SER Chi-restraints excluded: chain A residue 3790 THR Chi-restraints excluded: chain A residue 3794 VAL Chi-restraints excluded: chain A residue 3795 SER Chi-restraints excluded: chain A residue 3803 SER Chi-restraints excluded: chain A residue 3804 ILE Chi-restraints excluded: chain A residue 3805 LEU Chi-restraints excluded: chain A residue 3809 ASN Chi-restraints excluded: chain A residue 3822 ASP Chi-restraints excluded: chain A residue 3825 GLU Chi-restraints excluded: chain A residue 3830 GLN Chi-restraints excluded: chain A residue 3835 LEU Chi-restraints excluded: chain A residue 3836 MET Chi-restraints excluded: chain A residue 3838 THR Chi-restraints excluded: chain A residue 3842 LEU Chi-restraints excluded: chain A residue 3886 ARG Chi-restraints excluded: chain A residue 3890 LEU Chi-restraints excluded: chain A residue 3892 CYS Chi-restraints excluded: chain A residue 3899 PHE Chi-restraints excluded: chain A residue 3905 THR Chi-restraints excluded: chain A residue 3907 THR Chi-restraints excluded: chain A residue 3910 THR Chi-restraints excluded: chain A residue 3911 THR Chi-restraints excluded: chain A residue 3913 ILE Chi-restraints excluded: chain A residue 3919 THR Chi-restraints excluded: chain A residue 3920 VAL Chi-restraints excluded: chain A residue 3930 ILE Chi-restraints excluded: chain A residue 3938 SER Chi-restraints excluded: chain A residue 3950 ASN Chi-restraints excluded: chain A residue 3952 SER Chi-restraints excluded: chain A residue 3964 SER Chi-restraints excluded: chain A residue 3966 THR Chi-restraints excluded: chain A residue 3973 CYS Chi-restraints excluded: chain A residue 3974 THR Chi-restraints excluded: chain A residue 3979 SER Chi-restraints excluded: chain A residue 3984 ARG Chi-restraints excluded: chain A residue 4021 LYS Chi-restraints excluded: chain A residue 4035 VAL Chi-restraints excluded: chain A residue 4040 ILE Chi-restraints excluded: chain A residue 4045 VAL Chi-restraints excluded: chain A residue 4053 SER Chi-restraints excluded: chain A residue 4054 ASN Chi-restraints excluded: chain A residue 4066 LEU Chi-restraints excluded: chain A residue 4071 ILE Chi-restraints excluded: chain A residue 4072 VAL Chi-restraints excluded: chain A residue 4074 SER Chi-restraints excluded: chain A residue 4078 GLN Chi-restraints excluded: chain A residue 4081 VAL Chi-restraints excluded: chain A residue 4082 THR Chi-restraints excluded: chain A residue 4083 ASP Chi-restraints excluded: chain A residue 4088 ILE Chi-restraints excluded: chain A residue 4092 ASP Chi-restraints excluded: chain A residue 4097 MET Chi-restraints excluded: chain A residue 4098 ASP Chi-restraints excluded: chain A residue 4100 GLN Chi-restraints excluded: chain A residue 4102 GLN Chi-restraints excluded: chain A residue 4104 THR Chi-restraints excluded: chain A residue 4108 ILE Chi-restraints excluded: chain A residue 4113 SER Chi-restraints excluded: chain A residue 4114 CYS Chi-restraints excluded: chain A residue 4115 SER Chi-restraints excluded: chain A residue 4116 GLU Chi-restraints excluded: chain A residue 4118 ASP Chi-restraints excluded: chain A residue 4119 GLU 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 4132 PHE Chi-restraints excluded: chain A residue 4142 ASN Chi-restraints excluded: chain A residue 4151 SER Chi-restraints excluded: chain A residue 4157 ASP Chi-restraints excluded: chain A residue 4161 ARG Chi-restraints excluded: chain A residue 4166 LEU Chi-restraints excluded: chain A residue 4168 GLU Chi-restraints excluded: chain A residue 4170 ILE Chi-restraints excluded: chain A residue 4182 GLU Chi-restraints excluded: chain A residue 4183 ILE Chi-restraints excluded: chain A residue 4187 SER Chi-restraints excluded: chain A residue 4197 ILE Chi-restraints excluded: chain A residue 4199 GLU Chi-restraints excluded: chain A residue 4205 TRP Chi-restraints excluded: chain A residue 4213 SER Chi-restraints excluded: chain A residue 4217 PHE Chi-restraints excluded: chain A residue 4221 VAL Chi-restraints excluded: chain A residue 4241 THR Chi-restraints excluded: chain A residue 4246 GLN Chi-restraints excluded: chain A residue 4251 ILE Chi-restraints excluded: chain A residue 4549 VAL Chi-restraints excluded: chain A residue 4552 LEU Chi-restraints excluded: chain A residue 4553 ASN Chi-restraints excluded: chain A residue 4561 THR Chi-restraints excluded: chain A residue 4562 LEU Chi-restraints excluded: chain A residue 4569 LEU Chi-restraints excluded: chain A residue 4571 PHE Chi-restraints excluded: chain A residue 4573 ILE Chi-restraints excluded: chain A residue 4574 ASN Chi-restraints excluded: chain A residue 4580 TYR Chi-restraints excluded: chain A residue 4584 ASP Chi-restraints excluded: chain A residue 4628 VAL Chi-restraints excluded: chain A residue 4631 PHE Chi-restraints excluded: chain A residue 4632 LEU Chi-restraints excluded: chain A residue 4634 GLU Chi-restraints excluded: chain A residue 4636 THR Chi-restraints excluded: chain A residue 4639 MET Chi-restraints excluded: chain A residue 4641 PRO Chi-restraints excluded: chain A residue 4643 LEU Chi-restraints excluded: chain A residue 4647 SER Chi-restraints excluded: chain A residue 4648 LEU Chi-restraints excluded: chain A residue 4651 THR Chi-restraints excluded: chain A residue 4670 ILE Chi-restraints excluded: chain A residue 4676 GLU Chi-restraints excluded: chain A residue 4681 LEU Chi-restraints excluded: chain A residue 4688 ILE Chi-restraints excluded: chain A residue 4694 ASP Chi-restraints excluded: chain A residue 4695 ASP Chi-restraints excluded: chain A residue 4723 LYS Chi-restraints excluded: chain A residue 4724 VAL Chi-restraints excluded: chain A residue 4728 HIS Chi-restraints excluded: chain A residue 4736 ARG Chi-restraints excluded: chain A residue 4741 LEU Chi-restraints excluded: chain A residue 4743 MET Chi-restraints excluded: chain A residue 4744 ASP Chi-restraints excluded: chain A residue 4751 THR Chi-restraints excluded: chain A residue 4765 LEU Chi-restraints excluded: chain A residue 4768 LEU Chi-restraints excluded: chain A residue 4770 SER Chi-restraints excluded: chain A residue 4782 VAL Chi-restraints excluded: chain A residue 4788 SER Chi-restraints excluded: chain A residue 4797 VAL Chi-restraints excluded: chain A residue 4799 SER Chi-restraints excluded: chain A residue 4803 HIS Chi-restraints excluded: chain A residue 4804 TYR Chi-restraints excluded: chain A residue 4816 ILE Chi-restraints excluded: chain A residue 4818 MET Chi-restraints excluded: chain A residue 4822 THR Chi-restraints excluded: chain A residue 4827 LEU Chi-restraints excluded: chain A residue 4828 SER Chi-restraints excluded: chain A residue 4831 THR Chi-restraints excluded: chain A residue 4840 THR Chi-restraints excluded: chain A residue 4852 THR Chi-restraints excluded: chain A residue 4856 PHE Chi-restraints excluded: chain A residue 4858 PHE Chi-restraints excluded: chain A residue 4860 ARG Chi-restraints excluded: chain A residue 4861 LYS Chi-restraints excluded: chain A residue 4865 LYS Chi-restraints excluded: chain A residue 4869 GLU Chi-restraints excluded: chain A residue 4870 ASP Chi-restraints excluded: chain A residue 4871 GLU Chi-restraints excluded: chain A residue 4875 LYS Chi-restraints excluded: chain A residue 4879 MET Chi-restraints excluded: chain A residue 4881 THR Chi-restraints excluded: chain A residue 4887 MET Chi-restraints excluded: chain A residue 4888 TYR Chi-restraints excluded: chain A residue 4891 VAL Chi-restraints excluded: chain A residue 4910 GLU Chi-restraints excluded: chain A residue 4913 ARG Chi-restraints excluded: chain A residue 4915 VAL Chi-restraints excluded: chain A residue 4919 THR Chi-restraints excluded: chain A residue 4925 ILE Chi-restraints excluded: chain A residue 4928 LEU Chi-restraints excluded: chain A residue 4937 ILE Chi-restraints excluded: chain A residue 4938 ASP Chi-restraints excluded: chain A residue 4943 LEU Chi-restraints excluded: chain A residue 4947 GLN Chi-restraints excluded: chain A residue 4950 VAL Chi-restraints excluded: chain A residue 4952 GLU Chi-restraints excluded: chain A residue 4953 ASP Chi-restraints excluded: chain A residue 4957 LYS Chi-restraints excluded: chain A residue 4961 CYS Chi-restraints excluded: chain A residue 4963 ILE Chi-restraints excluded: chain A residue 4965 SER Chi-restraints excluded: chain A residue 4967 TYR Chi-restraints excluded: chain A residue 4970 THR Chi-restraints excluded: chain A residue 4971 THR Chi-restraints excluded: chain A residue 4977 THR Chi-restraints excluded: chain A residue 4979 THR Chi-restraints excluded: chain A residue 4983 HIS Chi-restraints excluded: chain A residue 4985 LEU Chi-restraints excluded: chain A residue 4997 ASN Chi-restraints excluded: chain A residue 5001 THR Chi-restraints excluded: chain A residue 5008 SER Chi-restraints excluded: chain A residue 5018 CYS Chi-restraints excluded: chain A residue 5020 ASP Chi-restraints excluded: chain A residue 5021 PHE Chi-restraints excluded: chain A residue 5030 LYS Chi-restraints excluded: chain A residue 5034 ASP Chi-restraints excluded: chain A residue 5036 LEU Chi-restraints excluded: chain A residue 5037 SER Chi-restraints excluded: chain C residue 17 ASP Chi-restraints excluded: chain C residue 20 VAL Chi-restraints excluded: chain C residue 21 VAL Chi-restraints excluded: chain C residue 24 CYS Chi-restraints excluded: chain C residue 28 VAL Chi-restraints excluded: chain C residue 37 LEU Chi-restraints excluded: chain C residue 49 LEU Chi-restraints excluded: chain C residue 50 GLU Chi-restraints excluded: chain C residue 57 ASN Chi-restraints excluded: chain C residue 58 VAL Chi-restraints excluded: chain C residue 64 ILE Chi-restraints excluded: chain C residue 68 THR Chi-restraints excluded: chain C residue 69 LEU Chi-restraints excluded: chain C residue 74 SER Chi-restraints excluded: chain C residue 75 VAL Chi-restraints excluded: chain C residue 80 GLU Chi-restraints excluded: chain C residue 81 MET Chi-restraints excluded: chain C residue 107 ILE Chi-restraints excluded: chain C residue 109 LEU Chi-restraints excluded: chain C residue 111 HIS Chi-restraints excluded: chain C residue 114 SER Chi-restraints excluded: chain C residue 115 ARG Chi-restraints excluded: chain C residue 119 SER Chi-restraints excluded: chain C residue 131 LEU Chi-restraints excluded: chain C residue 138 GLN Chi-restraints excluded: chain C residue 144 GLU Chi-restraints excluded: chain C residue 149 THR Chi-restraints excluded: chain C residue 151 HIS Chi-restraints excluded: chain C residue 154 SER Chi-restraints excluded: chain C residue 159 GLU Chi-restraints excluded: chain C residue 161 GLU Chi-restraints excluded: chain C residue 162 LYS Chi-restraints excluded: chain C residue 164 ARG Chi-restraints excluded: chain C residue 165 VAL Chi-restraints excluded: chain C residue 167 ASP Chi-restraints excluded: chain C residue 170 ILE Chi-restraints excluded: chain C residue 173 SER Chi-restraints excluded: chain C residue 174 VAL Chi-restraints excluded: chain C residue 192 ASP Chi-restraints excluded: chain C residue 194 SER Chi-restraints excluded: chain C residue 206 CYS Chi-restraints excluded: chain C residue 215 THR Chi-restraints excluded: chain C residue 219 VAL Chi-restraints excluded: chain C residue 222 LEU Chi-restraints excluded: chain C residue 226 HIS Chi-restraints excluded: chain C residue 229 GLU Chi-restraints excluded: chain C residue 232 THR Chi-restraints excluded: chain C residue 240 ASP Chi-restraints excluded: chain C residue 243 ARG Chi-restraints excluded: chain C residue 258 SER Chi-restraints excluded: chain C residue 260 TRP Chi-restraints excluded: chain C residue 262 LEU Chi-restraints excluded: chain C residue 267 ILE Chi-restraints excluded: chain C residue 276 TRP Chi-restraints excluded: chain C residue 278 GLN Chi-restraints excluded: chain C residue 281 ARG Chi-restraints excluded: chain C residue 285 VAL Chi-restraints excluded: chain C residue 286 THR Chi-restraints excluded: chain C residue 287 THR Chi-restraints excluded: chain C residue 299 LEU Chi-restraints excluded: chain C residue 300 VAL Chi-restraints excluded: chain C residue 302 VAL Chi-restraints excluded: chain C residue 303 ASP Chi-restraints excluded: chain C residue 312 THR Chi-restraints excluded: chain C residue 313 SER Chi-restraints excluded: chain C residue 320 LYS Chi-restraints excluded: chain C residue 343 GLU Chi-restraints excluded: chain C residue 345 LEU Chi-restraints excluded: chain C residue 348 VAL Chi-restraints excluded: chain C residue 357 LEU Chi-restraints excluded: chain C residue 358 THR Chi-restraints excluded: chain C residue 359 TYR Chi-restraints excluded: chain C residue 373 LYS Chi-restraints excluded: chain C residue 381 GLU Chi-restraints excluded: chain C residue 388 LEU Chi-restraints excluded: chain C residue 389 PHE Chi-restraints excluded: chain C residue 390 LEU Chi-restraints excluded: chain C residue 396 GLU Chi-restraints excluded: chain C residue 419 ASP Chi-restraints excluded: chain C residue 422 SER Chi-restraints excluded: chain C residue 424 LYS Chi-restraints excluded: chain C residue 436 LEU Chi-restraints excluded: chain C residue 444 SER Chi-restraints excluded: chain C residue 453 GLU Chi-restraints excluded: chain C residue 455 PRO Chi-restraints excluded: chain C residue 456 SER Chi-restraints excluded: chain C residue 457 GLU Chi-restraints excluded: chain C residue 459 LEU Chi-restraints excluded: chain C residue 469 ARG Chi-restraints excluded: chain C residue 470 SER Chi-restraints excluded: chain C residue 477 LEU Chi-restraints excluded: chain C residue 478 PHE Chi-restraints excluded: chain C residue 483 MET Chi-restraints excluded: chain C residue 487 VAL Chi-restraints excluded: chain C residue 488 LEU Chi-restraints excluded: chain C residue 494 LEU Chi-restraints excluded: chain C residue 497 TYR Chi-restraints excluded: chain C residue 499 THR Chi-restraints excluded: chain C residue 503 PHE Chi-restraints excluded: chain C residue 510 GLU Chi-restraints excluded: chain C residue 514 SER Chi-restraints excluded: chain C residue 517 GLU Chi-restraints excluded: chain C residue 521 LEU Chi-restraints excluded: chain C residue 524 GLU Chi-restraints excluded: chain C residue 534 ARG Chi-restraints excluded: chain C residue 537 CYS Chi-restraints excluded: chain C residue 542 THR Chi-restraints excluded: chain C residue 549 SER Chi-restraints excluded: chain C residue 553 ARG Chi-restraints excluded: chain C residue 554 LEU Chi-restraints excluded: chain C residue 557 SER Chi-restraints excluded: chain C residue 566 CYS Chi-restraints excluded: chain C residue 569 ILE Chi-restraints excluded: chain C residue 570 GLU Chi-restraints excluded: chain C residue 573 GLU Chi-restraints excluded: chain C residue 581 ASN Chi-restraints excluded: chain C residue 587 ILE Chi-restraints excluded: chain C residue 600 LEU Chi-restraints excluded: chain C residue 608 VAL Chi-restraints excluded: chain C residue 614 VAL Chi-restraints excluded: chain C residue 616 SER Chi-restraints excluded: chain C residue 622 THR Chi-restraints excluded: chain C residue 629 ARG Chi-restraints excluded: chain C residue 634 GLN Chi-restraints excluded: chain C residue 637 LEU Chi-restraints excluded: chain C residue 641 VAL Chi-restraints excluded: chain C residue 643 SER Chi-restraints excluded: chain C residue 648 ILE Chi-restraints excluded: chain C residue 650 VAL Chi-restraints excluded: chain C residue 659 TYR Chi-restraints excluded: chain C residue 661 LYS Chi-restraints excluded: chain C residue 662 TRP Chi-restraints excluded: chain C residue 663 TYR Chi-restraints excluded: chain C residue 668 VAL Chi-restraints excluded: chain C residue 669 ASP Chi-restraints excluded: chain C residue 671 VAL Chi-restraints excluded: chain C residue 675 LEU Chi-restraints excluded: chain C residue 680 THR Chi-restraints excluded: chain C residue 683 ARG Chi-restraints excluded: chain C residue 684 VAL Chi-restraints excluded: chain C residue 700 GLU Chi-restraints excluded: chain C residue 707 VAL Chi-restraints excluded: chain C residue 710 ASP Chi-restraints excluded: chain C residue 716 PHE Chi-restraints excluded: chain C residue 719 LEU Chi-restraints excluded: chain C residue 720 HIS Chi-restraints excluded: chain C residue 723 THR Chi-restraints excluded: chain C residue 726 VAL Chi-restraints excluded: chain C residue 730 VAL Chi-restraints excluded: chain C residue 737 LEU Chi-restraints excluded: chain C residue 744 VAL Chi-restraints excluded: chain C residue 752 VAL Chi-restraints excluded: chain C residue 754 SER Chi-restraints excluded: chain C residue 776 LEU Chi-restraints excluded: chain C residue 780 VAL Chi-restraints excluded: chain C residue 784 SER Chi-restraints excluded: chain C residue 787 VAL Chi-restraints excluded: chain C residue 788 LYS Chi-restraints excluded: chain C residue 791 PHE Chi-restraints excluded: chain C residue 793 LEU Chi-restraints excluded: chain C residue 800 PHE Chi-restraints excluded: chain C residue 803 LEU Chi-restraints excluded: chain C residue 811 CYS Chi-restraints excluded: chain C residue 812 HIS Chi-restraints excluded: chain C residue 831 ARG Chi-restraints excluded: chain C residue 835 ARG Chi-restraints excluded: chain C residue 840 VAL Chi-restraints excluded: chain C residue 850 ASP Chi-restraints excluded: chain C residue 867 LEU Chi-restraints excluded: chain C residue 868 GLU Chi-restraints excluded: chain C residue 869 ARG Chi-restraints excluded: chain C residue 870 ILE Chi-restraints excluded: chain C residue 884 LEU Chi-restraints excluded: chain C residue 887 ILE Chi-restraints excluded: chain C residue 891 TRP Chi-restraints excluded: chain C residue 893 TYR Chi-restraints excluded: chain C residue 907 LEU Chi-restraints excluded: chain C residue 931 THR Chi-restraints excluded: chain C residue 944 GLU 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 1034 SER Chi-restraints excluded: chain C residue 1036 ARG Chi-restraints excluded: chain C residue 1037 ASP Chi-restraints excluded: chain C residue 1044 ARG Chi-restraints excluded: chain C residue 1046 LEU Chi-restraints excluded: chain C residue 1076 ARG Chi-restraints excluded: chain C residue 1079 LYS Chi-restraints excluded: chain C residue 1080 SER Chi-restraints excluded: chain C residue 1082 THR Chi-restraints excluded: chain C residue 1083 VAL Chi-restraints excluded: chain C residue 1099 GLU Chi-restraints excluded: chain C residue 1102 VAL Chi-restraints excluded: chain C residue 1110 ARG Chi-restraints excluded: chain C residue 1112 ASP Chi-restraints excluded: chain C residue 1113 VAL Chi-restraints excluded: chain C residue 1120 LEU Chi-restraints excluded: chain C residue 1123 VAL Chi-restraints excluded: chain C residue 1133 HIS Chi-restraints excluded: chain C residue 1134 LEU Chi-restraints excluded: chain C residue 1139 PHE Chi-restraints excluded: chain C residue 1141 ARG Chi-restraints excluded: chain C residue 1148 VAL Chi-restraints excluded: chain C residue 1149 VAL 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 1159 THR Chi-restraints excluded: chain C residue 1164 LEU Chi-restraints excluded: chain C residue 1179 PHE Chi-restraints excluded: chain C residue 1184 ILE Chi-restraints excluded: chain C residue 1191 VAL Chi-restraints excluded: chain C residue 1193 SER Chi-restraints excluded: chain C residue 1198 GLN Chi-restraints excluded: chain C residue 1201 HIS 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 1210 SER Chi-restraints excluded: chain C residue 1214 PHE Chi-restraints excluded: chain C residue 1230 MET Chi-restraints excluded: chain C residue 1234 VAL Chi-restraints excluded: chain C residue 1241 SER Chi-restraints excluded: chain C residue 1242 LEU Chi-restraints excluded: chain C residue 1255 TYR Chi-restraints excluded: chain C residue 1260 MET Chi-restraints excluded: chain C residue 1266 THR Chi-restraints excluded: chain C residue 1274 HIS Chi-restraints excluded: chain C residue 1574 PRO 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 1608 MET Chi-restraints excluded: chain C residue 1612 PHE Chi-restraints excluded: chain C residue 1630 CYS Chi-restraints excluded: chain C residue 1635 THR Chi-restraints excluded: chain C residue 1637 MET Chi-restraints excluded: chain C residue 1639 LEU Chi-restraints excluded: chain C residue 1647 CYS Chi-restraints excluded: chain C residue 1648 MET Chi-restraints excluded: chain C residue 1652 GLU Chi-restraints excluded: chain C residue 1653 LEU Chi-restraints excluded: chain C residue 1655 GLU Chi-restraints excluded: chain C residue 1656 ARG Chi-restraints excluded: chain C residue 1664 SER Chi-restraints excluded: chain C residue 1666 THR Chi-restraints excluded: chain C residue 1681 VAL Chi-restraints excluded: chain C residue 1687 SER Chi-restraints excluded: chain C residue 1693 GLN Chi-restraints excluded: chain C residue 1695 LEU Chi-restraints excluded: chain C residue 1700 ASP Chi-restraints excluded: chain C residue 1702 HIS Chi-restraints excluded: chain C residue 1703 LEU Chi-restraints excluded: chain C residue 1706 PRO Chi-restraints excluded: chain C residue 1714 LEU Chi-restraints excluded: chain C residue 1716 ILE Chi-restraints excluded: chain C residue 1717 SER Chi-restraints excluded: chain C residue 1720 LEU Chi-restraints excluded: chain C residue 1721 GLU Chi-restraints excluded: chain C residue 1724 CYS Chi-restraints excluded: chain C residue 1730 MET Chi-restraints excluded: chain C residue 1731 LEU Chi-restraints excluded: chain C residue 1734 TYR Chi-restraints excluded: chain C residue 1736 VAL Chi-restraints excluded: chain C residue 1739 THR Chi-restraints excluded: chain C residue 1742 THR Chi-restraints excluded: chain C residue 1745 ILE Chi-restraints excluded: chain C residue 1768 THR Chi-restraints excluded: chain C residue 1769 THR Chi-restraints excluded: chain C residue 1770 SER Chi-restraints excluded: chain C residue 1776 HIS Chi-restraints excluded: chain C residue 1786 LEU Chi-restraints excluded: chain C residue 1798 LEU Chi-restraints excluded: chain C residue 1802 ILE Chi-restraints excluded: chain C residue 1813 ARG Chi-restraints excluded: chain C residue 1817 GLU Chi-restraints excluded: chain C residue 1830 VAL Chi-restraints excluded: chain C residue 1833 SER Chi-restraints excluded: chain C residue 1834 VAL Chi-restraints excluded: chain C residue 1845 VAL Chi-restraints excluded: chain C residue 1847 THR Chi-restraints excluded: chain C residue 1850 VAL Chi-restraints excluded: chain C residue 1865 MET Chi-restraints excluded: chain C residue 1935 VAL Chi-restraints excluded: chain C residue 1947 CYS Chi-restraints excluded: chain C residue 1953 HIS Chi-restraints excluded: chain C residue 1955 VAL Chi-restraints excluded: chain C residue 1963 GLU Chi-restraints excluded: chain C residue 1965 TYR Chi-restraints excluded: chain C residue 1969 LEU Chi-restraints excluded: chain C residue 1973 GLN Chi-restraints excluded: chain C residue 1980 LEU Chi-restraints excluded: chain C residue 2006 ILE Chi-restraints excluded: chain C residue 2010 LEU Chi-restraints excluded: chain C residue 2011 HIS Chi-restraints excluded: chain C residue 2031 LEU Chi-restraints excluded: chain C residue 2041 HIS Chi-restraints excluded: chain C residue 2097 LEU Chi-restraints excluded: chain C residue 2098 VAL Chi-restraints excluded: chain C residue 2099 SER Chi-restraints excluded: chain C residue 2117 VAL Chi-restraints excluded: chain C residue 2122 SER Chi-restraints excluded: chain C residue 2126 ARG Chi-restraints excluded: chain C residue 2128 TYR Chi-restraints excluded: chain C residue 2148 SER Chi-restraints excluded: chain C residue 2152 THR Chi-restraints excluded: chain C residue 2162 ILE Chi-restraints excluded: chain C residue 2164 SER Chi-restraints excluded: chain C residue 2166 LEU Chi-restraints excluded: chain C residue 2167 ILE Chi-restraints excluded: chain C residue 2172 PRO Chi-restraints excluded: chain C residue 2187 ASN Chi-restraints excluded: chain C residue 2191 PHE Chi-restraints excluded: chain C residue 2192 TYR Chi-restraints excluded: chain C residue 2194 HIS Chi-restraints excluded: chain C residue 2203 MET Chi-restraints excluded: chain C residue 2210 VAL Chi-restraints excluded: chain C residue 2215 LEU Chi-restraints excluded: chain C residue 2223 ILE Chi-restraints excluded: chain C residue 2240 CYS Chi-restraints excluded: chain C residue 2245 GLN Chi-restraints excluded: chain C residue 2246 ASN Chi-restraints excluded: chain C residue 2249 SER Chi-restraints excluded: chain C residue 2253 HIS Chi-restraints excluded: chain C residue 2273 LEU Chi-restraints excluded: chain C residue 2274 ASP Chi-restraints excluded: chain C residue 2275 VAL Chi-restraints excluded: chain C residue 2279 SER Chi-restraints excluded: chain C residue 2281 ILE Chi-restraints excluded: chain C residue 2286 LEU Chi-restraints excluded: chain C residue 2290 LEU Chi-restraints excluded: chain C residue 2291 GLN Chi-restraints excluded: chain C residue 2292 GLU Chi-restraints excluded: chain C residue 2299 VAL Chi-restraints excluded: chain C residue 2300 SER Chi-restraints excluded: chain C residue 2301 TYR Chi-restraints excluded: chain C residue 2302 LEU Chi-restraints excluded: chain C residue 2336 ARG Chi-restraints excluded: chain C residue 2341 VAL Chi-restraints excluded: chain C residue 2358 ILE Chi-restraints excluded: chain C residue 2364 PHE Chi-restraints excluded: chain C residue 2418 LEU Chi-restraints excluded: chain C residue 2420 HIS Chi-restraints excluded: chain C residue 2438 PRO Chi-restraints excluded: chain C residue 2442 LEU Chi-restraints excluded: chain C residue 2443 ILE Chi-restraints excluded: chain C residue 2451 LEU Chi-restraints excluded: chain C residue 2456 ILE Chi-restraints excluded: chain C residue 2457 LEU Chi-restraints excluded: chain C residue 2458 ARG Chi-restraints excluded: chain C residue 2460 LEU Chi-restraints excluded: chain C residue 2470 ILE Chi-restraints excluded: chain C residue 2752 ASP Chi-restraints excluded: chain C residue 2761 TYR Chi-restraints excluded: chain C residue 2762 THR Chi-restraints excluded: chain C residue 2777 TYR Chi-restraints excluded: chain C residue 2779 GLU Chi-restraints excluded: chain C residue 2787 THR Chi-restraints excluded: chain C residue 2807 TRP Chi-restraints excluded: chain C residue 2809 ILE Chi-restraints excluded: chain C residue 2811 GLU Chi-restraints excluded: chain C residue 2869 ARG Chi-restraints excluded: chain C residue 2872 GLN Chi-restraints excluded: chain C residue 2882 TYR Chi-restraints excluded: chain C residue 2883 HIS Chi-restraints excluded: chain C residue 2884 ASN Chi-restraints excluded: chain C residue 2889 LYS Chi-restraints excluded: chain C residue 2892 GLN Chi-restraints excluded: chain C residue 2894 LEU Chi-restraints excluded: chain C residue 2895 GLU Chi-restraints excluded: chain C residue 2901 THR Chi-restraints excluded: chain C residue 2906 VAL Chi-restraints excluded: chain C residue 2908 TYR Chi-restraints excluded: chain C residue 2912 THR Chi-restraints excluded: chain C residue 2921 GLU Chi-restraints excluded: chain C residue 2927 LEU Chi-restraints excluded: chain C residue 2928 LYS Chi-restraints excluded: chain C residue 2932 MET Chi-restraints excluded: chain C residue 3641 LEU Chi-restraints excluded: chain C residue 3642 TYR Chi-restraints excluded: chain C residue 3643 ASN Chi-restraints excluded: chain C residue 3647 HIS Chi-restraints excluded: chain C residue 3648 ARG Chi-restraints excluded: chain C residue 3656 SER Chi-restraints excluded: chain C residue 3657 TYR Chi-restraints excluded: chain C residue 3658 LYS Chi-restraints excluded: chain C residue 3661 TRP Chi-restraints excluded: chain C residue 3669 PHE Chi-restraints excluded: chain C residue 3670 GLU Chi-restraints excluded: chain C residue 3671 ASP Chi-restraints excluded: chain C residue 3674 ILE Chi-restraints excluded: chain C residue 3678 SER Chi-restraints excluded: chain C residue 3696 ASP Chi-restraints excluded: chain C residue 3703 LEU Chi-restraints excluded: chain C residue 3708 THR Chi-restraints excluded: chain C residue 3710 LEU Chi-restraints excluded: chain C residue 3711 THR Chi-restraints excluded: chain C residue 3712 GLU Chi-restraints excluded: chain C residue 3727 ASP Chi-restraints excluded: chain C residue 3733 CYS Chi-restraints excluded: chain C residue 3751 VAL Chi-restraints excluded: chain C residue 3752 SER Chi-restraints excluded: chain C residue 3753 PHE Chi-restraints excluded: chain C residue 3761 GLN Chi-restraints excluded: chain C residue 3762 ARG Chi-restraints excluded: chain C residue 3764 LEU Chi-restraints excluded: chain C residue 3768 SER Chi-restraints excluded: chain C residue 3790 THR Chi-restraints excluded: chain C residue 3794 VAL Chi-restraints excluded: chain C residue 3795 SER Chi-restraints excluded: chain C residue 3803 SER Chi-restraints excluded: chain C residue 3804 ILE Chi-restraints excluded: chain C residue 3805 LEU Chi-restraints excluded: chain C residue 3809 ASN Chi-restraints excluded: chain C residue 3822 ASP Chi-restraints excluded: chain C residue 3825 GLU Chi-restraints excluded: chain C residue 3830 GLN Chi-restraints excluded: chain C residue 3835 LEU Chi-restraints excluded: chain C residue 3836 MET Chi-restraints excluded: chain C residue 3838 THR Chi-restraints excluded: chain C residue 3842 LEU Chi-restraints excluded: chain C residue 3886 ARG Chi-restraints excluded: chain C residue 3890 LEU Chi-restraints excluded: chain C residue 3892 CYS Chi-restraints excluded: chain C residue 3899 PHE Chi-restraints excluded: chain C residue 3905 THR Chi-restraints excluded: chain C residue 3907 THR Chi-restraints excluded: chain C residue 3910 THR Chi-restraints excluded: chain C residue 3911 THR Chi-restraints excluded: chain C residue 3913 ILE Chi-restraints excluded: chain C residue 3919 THR Chi-restraints excluded: chain C residue 3920 VAL Chi-restraints excluded: chain C residue 3930 ILE Chi-restraints excluded: chain C residue 3938 SER Chi-restraints excluded: chain C residue 3950 ASN Chi-restraints excluded: chain C residue 3952 SER Chi-restraints excluded: chain C residue 3964 SER Chi-restraints excluded: chain C residue 3966 THR Chi-restraints excluded: chain C residue 3973 CYS Chi-restraints excluded: chain C residue 3974 THR Chi-restraints excluded: chain C residue 3979 SER Chi-restraints excluded: chain C residue 3980 LEU Chi-restraints excluded: chain C residue 3984 ARG Chi-restraints excluded: chain C residue 4001 MET Chi-restraints excluded: chain C residue 4021 LYS Chi-restraints excluded: chain C residue 4040 ILE Chi-restraints excluded: chain C residue 4044 MET Chi-restraints excluded: chain C residue 4052 SER Chi-restraints excluded: chain C residue 4053 SER Chi-restraints excluded: chain C residue 4054 ASN Chi-restraints excluded: chain C residue 4066 LEU Chi-restraints excluded: chain C residue 4072 VAL Chi-restraints excluded: chain C residue 4078 GLN Chi-restraints excluded: chain C residue 4081 VAL 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 4092 ASP Chi-restraints excluded: chain C residue 4097 MET Chi-restraints excluded: chain C residue 4098 ASP Chi-restraints excluded: chain C residue 4100 GLN Chi-restraints excluded: chain C residue 4102 GLN Chi-restraints excluded: chain C residue 4104 THR Chi-restraints excluded: chain C residue 4108 ILE Chi-restraints excluded: chain C residue 4113 SER Chi-restraints excluded: chain C residue 4115 SER Chi-restraints excluded: chain C residue 4116 GLU Chi-restraints excluded: chain C residue 4118 ASP 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 4132 PHE Chi-restraints excluded: chain C residue 4142 ASN Chi-restraints excluded: chain C residue 4151 SER Chi-restraints excluded: chain C residue 4157 ASP Chi-restraints excluded: chain C residue 4161 ARG Chi-restraints excluded: chain C residue 4166 LEU Chi-restraints excluded: chain C residue 4168 GLU Chi-restraints excluded: chain C residue 4170 ILE Chi-restraints excluded: chain C residue 4182 GLU Chi-restraints excluded: chain C residue 4183 ILE Chi-restraints excluded: chain C residue 4187 SER Chi-restraints excluded: chain C residue 4197 ILE Chi-restraints excluded: chain C residue 4199 GLU Chi-restraints excluded: chain C residue 4205 TRP Chi-restraints excluded: chain C residue 4213 SER Chi-restraints excluded: chain C residue 4217 PHE Chi-restraints excluded: chain C residue 4221 VAL Chi-restraints excluded: chain C residue 4236 SER Chi-restraints excluded: chain C residue 4241 THR Chi-restraints excluded: chain C residue 4246 GLN Chi-restraints excluded: chain C residue 4251 ILE Chi-restraints excluded: chain C residue 4549 VAL Chi-restraints excluded: chain C residue 4552 LEU Chi-restraints excluded: chain C residue 4553 ASN Chi-restraints excluded: chain C residue 4561 THR Chi-restraints excluded: chain C residue 4562 LEU Chi-restraints excluded: chain C residue 4569 LEU Chi-restraints excluded: chain C residue 4571 PHE Chi-restraints excluded: chain C residue 4573 ILE Chi-restraints excluded: chain C residue 4580 TYR Chi-restraints excluded: chain C residue 4584 ASP Chi-restraints excluded: chain C residue 4628 VAL Chi-restraints excluded: chain C residue 4631 PHE Chi-restraints excluded: chain C residue 4632 LEU Chi-restraints excluded: chain C residue 4636 THR Chi-restraints excluded: chain C residue 4638 TYR Chi-restraints excluded: chain C residue 4639 MET Chi-restraints excluded: chain C residue 4643 LEU Chi-restraints excluded: chain C residue 4648 LEU Chi-restraints excluded: chain C residue 4651 THR Chi-restraints excluded: chain C residue 4670 ILE Chi-restraints excluded: chain C residue 4676 GLU Chi-restraints excluded: chain C residue 4681 LEU Chi-restraints excluded: chain C residue 4688 ILE 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 4723 LYS Chi-restraints excluded: chain C residue 4724 VAL Chi-restraints excluded: chain C residue 4728 HIS Chi-restraints excluded: chain C residue 4736 ARG Chi-restraints excluded: chain C residue 4741 LEU Chi-restraints excluded: chain C residue 4743 MET Chi-restraints excluded: chain C residue 4744 ASP Chi-restraints excluded: chain C residue 4751 THR Chi-restraints excluded: chain C residue 4765 LEU Chi-restraints excluded: chain C residue 4768 LEU Chi-restraints excluded: chain C residue 4770 SER Chi-restraints excluded: chain C residue 4782 VAL Chi-restraints excluded: chain C residue 4788 SER Chi-restraints excluded: chain C residue 4797 VAL Chi-restraints excluded: chain C residue 4799 SER Chi-restraints excluded: chain C residue 4804 TYR Chi-restraints excluded: chain C residue 4816 ILE Chi-restraints excluded: chain C residue 4818 MET Chi-restraints excluded: chain C residue 4822 THR Chi-restraints excluded: chain C residue 4827 LEU Chi-restraints excluded: chain C residue 4828 SER Chi-restraints excluded: chain C residue 4831 THR Chi-restraints excluded: chain C residue 4840 THR Chi-restraints excluded: chain C residue 4852 THR Chi-restraints excluded: chain C residue 4856 PHE Chi-restraints excluded: chain C residue 4858 PHE Chi-restraints excluded: chain C residue 4861 LYS Chi-restraints excluded: chain C residue 4868 ASP Chi-restraints excluded: chain C residue 4869 GLU Chi-restraints excluded: chain C residue 4870 ASP Chi-restraints excluded: chain C residue 4873 ASP Chi-restraints excluded: chain C residue 4879 MET Chi-restraints excluded: chain C residue 4881 THR Chi-restraints excluded: chain C residue 4884 LEU Chi-restraints excluded: chain C residue 4887 MET Chi-restraints excluded: chain C residue 4888 TYR Chi-restraints excluded: chain C residue 4891 VAL Chi-restraints excluded: chain C residue 4892 ARG Chi-restraints excluded: chain C residue 4910 GLU Chi-restraints excluded: chain C residue 4913 ARG Chi-restraints excluded: chain C residue 4915 VAL Chi-restraints excluded: chain C residue 4916 PHE Chi-restraints excluded: chain C residue 4917 ASP Chi-restraints excluded: chain C residue 4919 THR Chi-restraints excluded: chain C residue 4925 ILE Chi-restraints excluded: chain C residue 4928 LEU Chi-restraints excluded: chain C residue 4937 ILE Chi-restraints excluded: chain C residue 4938 ASP Chi-restraints excluded: chain C residue 4943 LEU Chi-restraints excluded: chain C residue 4947 GLN Chi-restraints excluded: chain C residue 4950 VAL Chi-restraints excluded: chain C residue 4952 GLU Chi-restraints excluded: chain C residue 4953 ASP 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 4963 ILE Chi-restraints excluded: chain C residue 4965 SER Chi-restraints excluded: chain C residue 4967 TYR Chi-restraints excluded: chain C residue 4970 THR Chi-restraints excluded: chain C residue 4977 THR Chi-restraints excluded: chain C residue 4979 THR Chi-restraints excluded: chain C residue 4983 HIS Chi-restraints excluded: chain C residue 4985 LEU Chi-restraints excluded: chain C residue 4997 ASN Chi-restraints excluded: chain C residue 5001 THR Chi-restraints excluded: chain C residue 5008 SER Chi-restraints excluded: chain C residue 5016 GLU Chi-restraints excluded: chain C residue 5018 CYS Chi-restraints excluded: chain C residue 5020 ASP Chi-restraints excluded: chain C residue 5021 PHE Chi-restraints excluded: chain C residue 5030 LYS Chi-restraints excluded: chain C residue 5034 ASP Chi-restraints excluded: chain C residue 5036 LEU Chi-restraints excluded: chain C residue 5037 SER Chi-restraints excluded: chain D residue 17 ASP Chi-restraints excluded: chain D residue 20 VAL Chi-restraints excluded: chain D residue 21 VAL Chi-restraints excluded: chain D residue 24 CYS Chi-restraints excluded: chain D residue 37 LEU Chi-restraints excluded: chain D residue 49 LEU Chi-restraints excluded: chain D residue 50 GLU Chi-restraints excluded: chain D residue 57 ASN Chi-restraints excluded: chain D residue 58 VAL Chi-restraints excluded: chain D residue 64 ILE Chi-restraints excluded: chain D residue 68 THR Chi-restraints excluded: chain D residue 69 LEU Chi-restraints excluded: chain D residue 71 GLN Chi-restraints excluded: chain D residue 74 SER Chi-restraints excluded: chain D residue 75 VAL Chi-restraints excluded: chain D residue 80 GLU Chi-restraints excluded: chain D residue 81 MET Chi-restraints excluded: chain D residue 107 ILE Chi-restraints excluded: chain D residue 109 LEU Chi-restraints excluded: chain D residue 114 SER Chi-restraints excluded: chain D residue 119 SER Chi-restraints excluded: chain D residue 131 LEU Chi-restraints excluded: chain D residue 138 GLN Chi-restraints excluded: chain D residue 144 GLU Chi-restraints excluded: chain D residue 149 THR Chi-restraints excluded: chain D residue 151 HIS Chi-restraints excluded: chain D residue 154 SER Chi-restraints excluded: chain D residue 159 GLU Chi-restraints excluded: chain D residue 161 GLU Chi-restraints excluded: chain D residue 162 LYS Chi-restraints excluded: chain D residue 164 ARG Chi-restraints excluded: chain D residue 167 ASP Chi-restraints excluded: chain D residue 170 ILE Chi-restraints excluded: chain D residue 173 SER Chi-restraints excluded: chain D residue 174 VAL Chi-restraints excluded: chain D residue 177 GLU Chi-restraints excluded: chain D residue 192 ASP Chi-restraints excluded: chain D residue 194 SER Chi-restraints excluded: chain D residue 206 CYS Chi-restraints excluded: chain D residue 211 GLU Chi-restraints excluded: chain D residue 215 THR Chi-restraints excluded: chain D residue 219 VAL Chi-restraints excluded: chain D residue 222 LEU Chi-restraints excluded: chain D residue 226 HIS Chi-restraints excluded: chain D residue 229 GLU Chi-restraints excluded: chain D residue 232 THR Chi-restraints excluded: chain D residue 240 ASP Chi-restraints excluded: chain D residue 243 ARG Chi-restraints excluded: chain D residue 258 SER Chi-restraints excluded: chain D residue 260 TRP Chi-restraints excluded: chain D residue 262 LEU Chi-restraints excluded: chain D residue 267 ILE 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 287 THR Chi-restraints excluded: chain D residue 299 LEU Chi-restraints excluded: chain D residue 300 VAL Chi-restraints excluded: chain D residue 302 VAL Chi-restraints excluded: chain D residue 303 ASP Chi-restraints excluded: chain D residue 312 THR Chi-restraints excluded: chain D residue 313 SER Chi-restraints excluded: chain D residue 318 VAL Chi-restraints excluded: chain D residue 343 GLU Chi-restraints excluded: chain D residue 345 LEU Chi-restraints excluded: chain D residue 348 VAL Chi-restraints excluded: chain D residue 357 LEU Chi-restraints excluded: chain D residue 359 TYR Chi-restraints excluded: chain D residue 373 LYS Chi-restraints excluded: chain D residue 381 GLU Chi-restraints excluded: chain D residue 389 PHE Chi-restraints excluded: chain D residue 390 LEU Chi-restraints excluded: chain D residue 396 GLU Chi-restraints excluded: chain D residue 407 THR Chi-restraints excluded: chain D residue 419 ASP Chi-restraints excluded: chain D residue 422 SER Chi-restraints excluded: chain D residue 424 LYS Chi-restraints excluded: chain D residue 436 LEU Chi-restraints excluded: chain D residue 444 SER Chi-restraints excluded: chain D residue 453 GLU Chi-restraints excluded: chain D residue 455 PRO Chi-restraints excluded: chain D residue 456 SER Chi-restraints excluded: chain D residue 457 GLU Chi-restraints excluded: chain D residue 459 LEU Chi-restraints excluded: chain D residue 469 ARG Chi-restraints excluded: chain D residue 470 SER Chi-restraints excluded: chain D residue 472 ARG Chi-restraints excluded: chain D residue 477 LEU Chi-restraints excluded: chain D residue 478 PHE Chi-restraints excluded: chain D residue 487 VAL Chi-restraints excluded: chain D residue 488 LEU Chi-restraints excluded: chain D residue 494 LEU Chi-restraints excluded: chain D residue 497 TYR Chi-restraints excluded: chain D residue 499 THR Chi-restraints excluded: chain D residue 503 PHE Chi-restraints excluded: chain D residue 510 GLU Chi-restraints excluded: chain D residue 514 SER Chi-restraints excluded: chain D residue 521 LEU Chi-restraints excluded: chain D residue 524 GLU Chi-restraints excluded: chain D residue 526 LEU Chi-restraints excluded: chain D residue 534 ARG Chi-restraints excluded: chain D residue 537 CYS Chi-restraints excluded: chain D residue 542 THR Chi-restraints excluded: chain D residue 545 ASP Chi-restraints excluded: chain D residue 549 SER Chi-restraints excluded: chain D residue 553 ARG Chi-restraints excluded: chain D residue 554 LEU Chi-restraints excluded: chain D residue 557 SER Chi-restraints excluded: chain D residue 566 CYS Chi-restraints excluded: chain D residue 569 ILE Chi-restraints excluded: chain D residue 570 GLU Chi-restraints excluded: chain D residue 573 GLU Chi-restraints excluded: chain D residue 578 ILE Chi-restraints excluded: chain D residue 581 ASN Chi-restraints excluded: chain D residue 587 ILE Chi-restraints excluded: chain D residue 600 LEU Chi-restraints excluded: chain D residue 608 VAL Chi-restraints excluded: chain D residue 614 VAL Chi-restraints excluded: chain D residue 616 SER Chi-restraints excluded: chain D residue 622 THR Chi-restraints excluded: chain D residue 624 ASN Chi-restraints excluded: chain D residue 629 ARG Chi-restraints excluded: chain D residue 634 GLN Chi-restraints excluded: chain D residue 637 LEU Chi-restraints excluded: chain D residue 641 VAL Chi-restraints excluded: chain D residue 643 SER Chi-restraints excluded: chain D residue 648 ILE Chi-restraints excluded: chain D residue 650 VAL Chi-restraints excluded: chain D residue 659 TYR Chi-restraints excluded: chain D residue 662 TRP Chi-restraints excluded: chain D residue 663 TYR Chi-restraints excluded: chain D residue 668 VAL Chi-restraints excluded: chain D residue 669 ASP Chi-restraints excluded: chain D residue 671 VAL Chi-restraints excluded: chain D residue 675 LEU Chi-restraints excluded: chain D residue 680 THR Chi-restraints excluded: chain D residue 683 ARG Chi-restraints excluded: chain D residue 684 VAL Chi-restraints excluded: chain D residue 692 TYR Chi-restraints excluded: chain D residue 700 GLU Chi-restraints excluded: chain D residue 707 VAL Chi-restraints excluded: chain D residue 710 ASP Chi-restraints excluded: chain D residue 716 PHE Chi-restraints excluded: chain D residue 719 LEU Chi-restraints excluded: chain D residue 720 HIS Chi-restraints excluded: chain D residue 723 THR Chi-restraints excluded: chain D residue 726 VAL Chi-restraints excluded: chain D residue 730 VAL Chi-restraints excluded: chain D residue 737 LEU Chi-restraints excluded: chain D residue 744 VAL Chi-restraints excluded: chain D residue 749 ASP Chi-restraints excluded: chain D residue 751 SER Chi-restraints excluded: chain D residue 752 VAL Chi-restraints excluded: chain D residue 754 SER Chi-restraints excluded: chain D residue 776 LEU Chi-restraints excluded: chain D residue 780 VAL Chi-restraints excluded: chain D residue 784 SER Chi-restraints excluded: chain D residue 787 VAL Chi-restraints excluded: chain D residue 788 LYS Chi-restraints excluded: chain D residue 791 PHE Chi-restraints excluded: chain D residue 793 LEU Chi-restraints excluded: chain D residue 800 PHE Chi-restraints excluded: chain D residue 803 LEU Chi-restraints excluded: chain D residue 812 HIS Chi-restraints excluded: chain D residue 818 ARG Chi-restraints excluded: chain D residue 831 ARG Chi-restraints excluded: chain D residue 835 ARG Chi-restraints excluded: chain D residue 840 VAL Chi-restraints excluded: chain D residue 850 ASP Chi-restraints excluded: chain D residue 867 LEU Chi-restraints excluded: chain D residue 868 GLU Chi-restraints excluded: chain D residue 869 ARG Chi-restraints excluded: chain D residue 870 ILE Chi-restraints excluded: chain D residue 884 LEU Chi-restraints excluded: chain D residue 891 TRP Chi-restraints excluded: chain D residue 893 TYR Chi-restraints excluded: chain D residue 907 LEU Chi-restraints excluded: chain D residue 931 THR Chi-restraints excluded: chain D residue 944 GLU Chi-restraints excluded: chain D residue 974 HIS Chi-restraints excluded: chain D residue 978 THR Chi-restraints excluded: chain D residue 1034 SER Chi-restraints excluded: chain D residue 1036 ARG Chi-restraints excluded: chain D residue 1037 ASP Chi-restraints excluded: chain D residue 1044 ARG Chi-restraints excluded: chain D residue 1046 LEU Chi-restraints excluded: chain D residue 1079 LYS Chi-restraints excluded: chain D residue 1080 SER Chi-restraints excluded: chain D residue 1082 THR Chi-restraints excluded: chain D residue 1083 VAL Chi-restraints excluded: chain D residue 1099 GLU Chi-restraints excluded: chain D residue 1102 VAL Chi-restraints excluded: chain D residue 1110 ARG Chi-restraints excluded: chain D residue 1112 ASP Chi-restraints excluded: chain D residue 1113 VAL Chi-restraints excluded: chain D residue 1120 LEU Chi-restraints excluded: chain D residue 1123 VAL Chi-restraints excluded: chain D residue 1133 HIS Chi-restraints excluded: chain D residue 1134 LEU Chi-restraints excluded: chain D residue 1139 PHE Chi-restraints excluded: chain D residue 1141 ARG Chi-restraints excluded: chain D residue 1148 VAL Chi-restraints excluded: chain D residue 1149 VAL 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 1159 THR Chi-restraints excluded: chain D residue 1164 LEU Chi-restraints excluded: chain D residue 1179 PHE Chi-restraints excluded: chain D residue 1184 ILE Chi-restraints excluded: chain D residue 1191 VAL Chi-restraints excluded: chain D residue 1193 SER Chi-restraints excluded: chain D residue 1198 GLN Chi-restraints excluded: chain D residue 1201 HIS 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 1210 SER Chi-restraints excluded: chain D residue 1214 PHE Chi-restraints excluded: chain D residue 1230 MET Chi-restraints excluded: chain D residue 1232 ARG Chi-restraints excluded: chain D residue 1234 VAL Chi-restraints excluded: chain D residue 1238 PHE Chi-restraints excluded: chain D residue 1241 SER Chi-restraints excluded: chain D residue 1242 LEU Chi-restraints excluded: chain D residue 1255 TYR Chi-restraints excluded: chain D residue 1260 MET Chi-restraints excluded: chain D residue 1266 THR Chi-restraints excluded: chain D residue 1274 HIS Chi-restraints excluded: chain D residue 1574 PRO 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 1608 MET Chi-restraints excluded: chain D residue 1612 PHE Chi-restraints excluded: chain D residue 1635 THR Chi-restraints excluded: chain D residue 1637 MET Chi-restraints excluded: chain D residue 1639 LEU Chi-restraints excluded: chain D residue 1647 CYS Chi-restraints excluded: chain D residue 1648 MET Chi-restraints excluded: chain D residue 1653 LEU Chi-restraints excluded: chain D residue 1655 GLU Chi-restraints excluded: chain D residue 1657 LEU Chi-restraints excluded: chain D residue 1664 SER Chi-restraints excluded: chain D residue 1666 THR Chi-restraints excluded: chain D residue 1681 VAL Chi-restraints excluded: chain D residue 1687 SER Chi-restraints excluded: chain D residue 1693 GLN Chi-restraints excluded: chain D residue 1695 LEU Chi-restraints excluded: chain D residue 1700 ASP Chi-restraints excluded: chain D residue 1702 HIS Chi-restraints excluded: chain D residue 1703 LEU Chi-restraints excluded: chain D residue 1706 PRO Chi-restraints excluded: chain D residue 1714 LEU Chi-restraints excluded: chain D residue 1716 ILE Chi-restraints excluded: chain D residue 1717 SER Chi-restraints excluded: chain D residue 1720 LEU Chi-restraints excluded: chain D residue 1721 GLU Chi-restraints excluded: chain D residue 1724 CYS Chi-restraints excluded: chain D residue 1730 MET Chi-restraints excluded: chain D residue 1731 LEU Chi-restraints excluded: chain D residue 1734 TYR Chi-restraints excluded: chain D residue 1736 VAL Chi-restraints excluded: chain D residue 1739 THR Chi-restraints excluded: chain D residue 1742 THR Chi-restraints excluded: chain D residue 1745 ILE Chi-restraints excluded: chain D residue 1768 THR Chi-restraints excluded: chain D residue 1769 THR Chi-restraints excluded: chain D residue 1770 SER Chi-restraints excluded: chain D residue 1778 SER Chi-restraints excluded: chain D residue 1781 CYS Chi-restraints excluded: chain D residue 1802 ILE Chi-restraints excluded: chain D residue 1808 ARG Chi-restraints excluded: chain D residue 1813 ARG Chi-restraints excluded: chain D residue 1817 GLU Chi-restraints excluded: chain D residue 1830 VAL Chi-restraints excluded: chain D residue 1833 SER Chi-restraints excluded: chain D residue 1834 VAL Chi-restraints excluded: chain D residue 1845 VAL Chi-restraints excluded: chain D residue 1847 THR Chi-restraints excluded: chain D residue 1850 VAL Chi-restraints excluded: chain D residue 1935 VAL Chi-restraints excluded: chain D residue 1947 CYS Chi-restraints excluded: chain D residue 1950 GLU Chi-restraints excluded: chain D residue 1953 HIS Chi-restraints excluded: chain D residue 1955 VAL Chi-restraints excluded: chain D residue 1963 GLU Chi-restraints excluded: chain D residue 1969 LEU Chi-restraints excluded: chain D residue 1973 GLN Chi-restraints excluded: chain D residue 1980 LEU Chi-restraints excluded: chain D residue 2006 ILE Chi-restraints excluded: chain D residue 2010 LEU Chi-restraints excluded: chain D residue 2011 HIS Chi-restraints excluded: chain D residue 2028 ARG Chi-restraints excluded: chain D residue 2031 LEU Chi-restraints excluded: chain D residue 2041 HIS Chi-restraints excluded: chain D residue 2097 LEU Chi-restraints excluded: chain D residue 2098 VAL Chi-restraints excluded: chain D residue 2103 VAL Chi-restraints excluded: chain D residue 2117 VAL Chi-restraints excluded: chain D residue 2122 SER Chi-restraints excluded: chain D residue 2126 ARG Chi-restraints excluded: chain D residue 2128 TYR Chi-restraints excluded: chain D residue 2140 ARG Chi-restraints excluded: chain D residue 2148 SER Chi-restraints excluded: chain D residue 2152 THR Chi-restraints excluded: chain D residue 2162 ILE Chi-restraints excluded: chain D residue 2164 SER Chi-restraints excluded: chain D residue 2166 LEU Chi-restraints excluded: chain D residue 2167 ILE Chi-restraints excluded: chain D residue 2172 PRO Chi-restraints excluded: chain D residue 2187 ASN Chi-restraints excluded: chain D residue 2191 PHE Chi-restraints excluded: chain D residue 2192 TYR Chi-restraints excluded: chain D residue 2194 HIS Chi-restraints excluded: chain D residue 2210 VAL Chi-restraints excluded: chain D residue 2215 LEU Chi-restraints excluded: chain D residue 2223 ILE Chi-restraints excluded: chain D residue 2240 CYS Chi-restraints excluded: chain D residue 2245 GLN Chi-restraints excluded: chain D residue 2246 ASN Chi-restraints excluded: chain D residue 2249 SER Chi-restraints excluded: chain D residue 2253 HIS Chi-restraints excluded: chain D residue 2273 LEU Chi-restraints excluded: chain D residue 2274 ASP Chi-restraints excluded: chain D residue 2275 VAL Chi-restraints excluded: chain D residue 2279 SER Chi-restraints excluded: chain D residue 2281 ILE Chi-restraints excluded: chain D residue 2286 LEU Chi-restraints excluded: chain D residue 2290 LEU Chi-restraints excluded: chain D residue 2299 VAL Chi-restraints excluded: chain D residue 2300 SER Chi-restraints excluded: chain D residue 2301 TYR Chi-restraints excluded: chain D residue 2302 LEU Chi-restraints excluded: chain D residue 2319 PRO Chi-restraints excluded: chain D residue 2336 ARG Chi-restraints excluded: chain D residue 2339 VAL Chi-restraints excluded: chain D residue 2341 VAL Chi-restraints excluded: chain D residue 2358 ILE Chi-restraints excluded: chain D residue 2364 PHE Chi-restraints excluded: chain D residue 2418 LEU Chi-restraints excluded: chain D residue 2420 HIS Chi-restraints excluded: chain D residue 2438 PRO Chi-restraints excluded: chain D residue 2442 LEU Chi-restraints excluded: chain D residue 2443 ILE Chi-restraints excluded: chain D residue 2451 LEU Chi-restraints excluded: chain D residue 2456 ILE Chi-restraints excluded: chain D residue 2457 LEU Chi-restraints excluded: chain D residue 2458 ARG Chi-restraints excluded: chain D residue 2460 LEU Chi-restraints excluded: chain D residue 2742 THR Chi-restraints excluded: chain D residue 2752 ASP Chi-restraints excluded: chain D residue 2761 TYR Chi-restraints excluded: chain D residue 2762 THR Chi-restraints excluded: chain D residue 2777 TYR Chi-restraints excluded: chain D residue 2779 GLU Chi-restraints excluded: chain D residue 2799 GLU Chi-restraints excluded: chain D residue 2807 TRP Chi-restraints excluded: chain D residue 2809 ILE Chi-restraints excluded: chain D residue 2811 GLU Chi-restraints excluded: chain D residue 2869 ARG Chi-restraints excluded: chain D residue 2882 TYR Chi-restraints excluded: chain D residue 2883 HIS Chi-restraints excluded: chain D residue 2892 GLN Chi-restraints excluded: chain D residue 2894 LEU Chi-restraints excluded: chain D residue 2895 GLU Chi-restraints excluded: chain D residue 2901 THR Chi-restraints excluded: chain D residue 2904 LEU Chi-restraints excluded: chain D residue 2908 TYR Chi-restraints excluded: chain D residue 2912 THR Chi-restraints excluded: chain D residue 2927 LEU Chi-restraints excluded: chain D residue 2928 LYS Chi-restraints excluded: chain D residue 2932 MET Chi-restraints excluded: chain D residue 3641 LEU Chi-restraints excluded: chain D residue 3642 TYR Chi-restraints excluded: chain D residue 3643 ASN Chi-restraints excluded: chain D residue 3647 HIS Chi-restraints excluded: chain D residue 3648 ARG Chi-restraints excluded: chain D residue 3656 SER Chi-restraints excluded: chain D residue 3657 TYR Chi-restraints excluded: chain D residue 3658 LYS Chi-restraints excluded: chain D residue 3661 TRP Chi-restraints excluded: chain D residue 3663 LEU Chi-restraints excluded: chain D residue 3669 PHE Chi-restraints excluded: chain D residue 3671 ASP Chi-restraints excluded: chain D residue 3674 ILE Chi-restraints excluded: chain D residue 3677 LEU Chi-restraints excluded: chain D residue 3678 SER Chi-restraints excluded: chain D residue 3696 ASP Chi-restraints excluded: chain D residue 3703 LEU Chi-restraints excluded: chain D residue 3708 THR Chi-restraints excluded: chain D residue 3710 LEU Chi-restraints excluded: chain D residue 3711 THR Chi-restraints excluded: chain D residue 3712 GLU Chi-restraints excluded: chain D residue 3727 ASP Chi-restraints excluded: chain D residue 3733 CYS Chi-restraints excluded: chain D residue 3751 VAL Chi-restraints excluded: chain D residue 3752 SER Chi-restraints excluded: chain D residue 3753 PHE Chi-restraints excluded: chain D residue 3761 GLN Chi-restraints excluded: chain D residue 3762 ARG Chi-restraints excluded: chain D residue 3764 LEU Chi-restraints excluded: chain D residue 3768 SER Chi-restraints excluded: chain D residue 3783 ILE Chi-restraints excluded: chain D residue 3790 THR Chi-restraints excluded: chain D residue 3794 VAL Chi-restraints excluded: chain D residue 3795 SER Chi-restraints excluded: chain D residue 3803 SER Chi-restraints excluded: chain D residue 3804 ILE Chi-restraints excluded: chain D residue 3805 LEU Chi-restraints excluded: chain D residue 3809 ASN Chi-restraints excluded: chain D residue 3822 ASP Chi-restraints excluded: chain D residue 3825 GLU Chi-restraints excluded: chain D residue 3830 GLN Chi-restraints excluded: chain D residue 3835 LEU Chi-restraints excluded: chain D residue 3836 MET Chi-restraints excluded: chain D residue 3838 THR Chi-restraints excluded: chain D residue 3842 LEU Chi-restraints excluded: chain D residue 3886 ARG Chi-restraints excluded: chain D residue 3890 LEU Chi-restraints excluded: chain D residue 3892 CYS Chi-restraints excluded: chain D residue 3899 PHE Chi-restraints excluded: chain D residue 3905 THR Chi-restraints excluded: chain D residue 3907 THR Chi-restraints excluded: chain D residue 3910 THR Chi-restraints excluded: chain D residue 3911 THR Chi-restraints excluded: chain D residue 3913 ILE Chi-restraints excluded: chain D residue 3919 THR Chi-restraints excluded: chain D residue 3920 VAL Chi-restraints excluded: chain D residue 3930 ILE Chi-restraints excluded: chain D residue 3938 SER Chi-restraints excluded: chain D residue 3950 ASN Chi-restraints excluded: chain D residue 3952 SER Chi-restraints excluded: chain D residue 3964 SER Chi-restraints excluded: chain D residue 3966 THR Chi-restraints excluded: chain D residue 3973 CYS Chi-restraints excluded: chain D residue 3974 THR Chi-restraints excluded: chain D residue 3979 SER Chi-restraints excluded: chain D residue 3984 ARG Chi-restraints excluded: chain D residue 4001 MET Chi-restraints excluded: chain D residue 4021 LYS Chi-restraints excluded: chain D residue 4040 ILE Chi-restraints excluded: chain D residue 4045 VAL Chi-restraints excluded: chain D residue 4053 SER Chi-restraints excluded: chain D residue 4054 ASN Chi-restraints excluded: chain D residue 4066 LEU Chi-restraints excluded: chain D residue 4072 VAL Chi-restraints excluded: chain D residue 4074 SER Chi-restraints excluded: chain D residue 4078 GLN Chi-restraints excluded: chain D residue 4081 VAL 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 4092 ASP Chi-restraints excluded: chain D residue 4097 MET Chi-restraints excluded: chain D residue 4098 ASP Chi-restraints excluded: chain D residue 4100 GLN Chi-restraints excluded: chain D residue 4102 GLN Chi-restraints excluded: chain D residue 4104 THR Chi-restraints excluded: chain D residue 4108 ILE Chi-restraints excluded: chain D residue 4113 SER Chi-restraints excluded: chain D residue 4116 GLU Chi-restraints excluded: chain D residue 4118 ASP Chi-restraints excluded: chain D residue 4119 GLU 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 4132 PHE Chi-restraints excluded: chain D residue 4142 ASN Chi-restraints excluded: chain D residue 4151 SER Chi-restraints excluded: chain D residue 4157 ASP Chi-restraints excluded: chain D residue 4161 ARG Chi-restraints excluded: chain D residue 4166 LEU Chi-restraints excluded: chain D residue 4168 GLU Chi-restraints excluded: chain D residue 4170 ILE Chi-restraints excluded: chain D residue 4180 ARG Chi-restraints excluded: chain D residue 4182 GLU Chi-restraints excluded: chain D residue 4187 SER Chi-restraints excluded: chain D residue 4197 ILE Chi-restraints excluded: chain D residue 4199 GLU Chi-restraints excluded: chain D residue 4205 TRP Chi-restraints excluded: chain D residue 4213 SER Chi-restraints excluded: chain D residue 4217 PHE Chi-restraints excluded: chain D residue 4221 VAL Chi-restraints excluded: chain D residue 4241 THR Chi-restraints excluded: chain D residue 4246 GLN Chi-restraints excluded: chain D residue 4251 ILE Chi-restraints excluded: chain D residue 4549 VAL Chi-restraints excluded: chain D residue 4552 LEU Chi-restraints excluded: chain D residue 4553 ASN Chi-restraints excluded: chain D residue 4561 THR Chi-restraints excluded: chain D residue 4562 LEU Chi-restraints excluded: chain D residue 4563 ARG Chi-restraints excluded: chain D residue 4569 LEU Chi-restraints excluded: chain D residue 4571 PHE Chi-restraints excluded: chain D residue 4573 ILE Chi-restraints excluded: chain D residue 4580 TYR Chi-restraints excluded: chain D residue 4584 ASP Chi-restraints excluded: chain D residue 4628 VAL Chi-restraints excluded: chain D residue 4631 PHE Chi-restraints excluded: chain D residue 4632 LEU Chi-restraints excluded: chain D residue 4636 THR Chi-restraints excluded: chain D residue 4638 TYR Chi-restraints excluded: chain D residue 4639 MET Chi-restraints excluded: chain D residue 4643 LEU Chi-restraints excluded: chain D residue 4648 LEU Chi-restraints excluded: chain D residue 4651 THR Chi-restraints excluded: chain D residue 4670 ILE Chi-restraints excluded: chain D residue 4676 GLU Chi-restraints excluded: chain D residue 4682 GLU Chi-restraints excluded: chain D residue 4688 ILE 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 4723 LYS Chi-restraints excluded: chain D residue 4724 VAL Chi-restraints excluded: chain D residue 4728 HIS Chi-restraints excluded: chain D residue 4736 ARG Chi-restraints excluded: chain D residue 4741 LEU Chi-restraints excluded: chain D residue 4743 MET Chi-restraints excluded: chain D residue 4744 ASP Chi-restraints excluded: chain D residue 4751 THR Chi-restraints excluded: chain D residue 4765 LEU Chi-restraints excluded: chain D residue 4768 LEU Chi-restraints excluded: chain D residue 4770 SER Chi-restraints excluded: chain D residue 4782 VAL Chi-restraints excluded: chain D residue 4788 SER Chi-restraints excluded: chain D residue 4797 VAL Chi-restraints excluded: chain D residue 4799 SER Chi-restraints excluded: chain D residue 4804 TYR Chi-restraints excluded: chain D residue 4818 MET Chi-restraints excluded: chain D residue 4822 THR Chi-restraints excluded: chain D residue 4827 LEU Chi-restraints excluded: chain D residue 4828 SER Chi-restraints excluded: chain D residue 4831 THR Chi-restraints excluded: chain D residue 4840 THR Chi-restraints excluded: chain D residue 4852 THR Chi-restraints excluded: chain D residue 4856 PHE Chi-restraints excluded: chain D residue 4858 PHE Chi-restraints excluded: chain D residue 4860 ARG Chi-restraints excluded: chain D residue 4861 LYS Chi-restraints excluded: chain D residue 4869 GLU Chi-restraints excluded: chain D residue 4870 ASP Chi-restraints excluded: chain D residue 4873 ASP Chi-restraints excluded: chain D residue 4876 CYS Chi-restraints excluded: chain D residue 4879 MET Chi-restraints excluded: chain D residue 4881 THR Chi-restraints excluded: chain D residue 4887 MET Chi-restraints excluded: chain D residue 4888 TYR Chi-restraints excluded: chain D residue 4891 VAL Chi-restraints excluded: chain D residue 4901 ILE Chi-restraints excluded: chain D residue 4910 GLU Chi-restraints excluded: chain D residue 4915 VAL Chi-restraints excluded: chain D residue 4916 PHE Chi-restraints excluded: chain D residue 4917 ASP Chi-restraints excluded: chain D residue 4919 THR Chi-restraints excluded: chain D residue 4925 ILE Chi-restraints excluded: chain D residue 4928 LEU Chi-restraints excluded: chain D residue 4937 ILE Chi-restraints excluded: chain D residue 4938 ASP Chi-restraints excluded: chain D residue 4947 GLN Chi-restraints excluded: chain D residue 4950 VAL Chi-restraints excluded: chain D residue 4952 GLU Chi-restraints excluded: chain D residue 4953 ASP Chi-restraints excluded: chain D residue 4957 LYS Chi-restraints excluded: chain D residue 4961 CYS Chi-restraints excluded: chain D residue 4963 ILE Chi-restraints excluded: chain D residue 4965 SER Chi-restraints excluded: chain D residue 4967 TYR Chi-restraints excluded: chain D residue 4970 THR Chi-restraints excluded: chain D residue 4977 THR Chi-restraints excluded: chain D residue 4979 THR Chi-restraints excluded: chain D residue 4983 HIS Chi-restraints excluded: chain D residue 4985 LEU Chi-restraints excluded: chain D residue 4997 ASN Chi-restraints excluded: chain D residue 5001 THR Chi-restraints excluded: chain D residue 5008 SER Chi-restraints excluded: chain D residue 5016 GLU Chi-restraints excluded: chain D residue 5018 CYS Chi-restraints excluded: chain D residue 5020 ASP Chi-restraints excluded: chain D residue 5021 PHE Chi-restraints excluded: chain D residue 5030 LYS Chi-restraints excluded: chain D residue 5034 ASP Chi-restraints excluded: chain D residue 5036 LEU Chi-restraints excluded: chain D residue 5037 SER Chi-restraints excluded: chain B residue 13 PHE Chi-restraints excluded: chain B residue 17 ASP Chi-restraints excluded: chain B residue 20 VAL Chi-restraints excluded: chain B residue 21 VAL Chi-restraints excluded: chain B residue 24 CYS Chi-restraints excluded: chain B residue 37 LEU Chi-restraints excluded: chain B residue 49 LEU Chi-restraints excluded: chain B residue 50 GLU Chi-restraints excluded: chain B residue 57 ASN Chi-restraints excluded: chain B residue 58 VAL Chi-restraints excluded: chain B residue 64 ILE Chi-restraints excluded: chain B residue 68 THR Chi-restraints excluded: chain B residue 71 GLN Chi-restraints excluded: chain B residue 74 SER Chi-restraints excluded: chain B residue 75 VAL Chi-restraints excluded: chain B residue 80 GLU Chi-restraints excluded: chain B residue 81 MET Chi-restraints excluded: chain B residue 107 ILE Chi-restraints excluded: chain B residue 114 SER Chi-restraints excluded: chain B residue 119 SER Chi-restraints excluded: chain B residue 131 LEU Chi-restraints excluded: chain B residue 138 GLN Chi-restraints excluded: chain B residue 144 GLU Chi-restraints excluded: chain B residue 149 THR Chi-restraints excluded: chain B residue 151 HIS Chi-restraints excluded: chain B residue 159 GLU Chi-restraints excluded: chain B residue 161 GLU Chi-restraints excluded: chain B residue 162 LYS Chi-restraints excluded: chain B residue 164 ARG Chi-restraints excluded: chain B residue 165 VAL Chi-restraints excluded: chain B residue 167 ASP Chi-restraints excluded: chain B residue 170 ILE Chi-restraints excluded: chain B residue 173 SER Chi-restraints excluded: chain B residue 174 VAL Chi-restraints excluded: chain B residue 192 ASP Chi-restraints excluded: chain B residue 194 SER Chi-restraints excluded: chain B residue 206 CYS Chi-restraints excluded: chain B residue 211 GLU Chi-restraints excluded: chain B residue 215 THR Chi-restraints excluded: chain B residue 219 VAL Chi-restraints excluded: chain B residue 222 LEU Chi-restraints excluded: chain B residue 226 HIS Chi-restraints excluded: chain B residue 229 GLU Chi-restraints excluded: chain B residue 232 THR Chi-restraints excluded: chain B residue 240 ASP Chi-restraints excluded: chain B residue 243 ARG Chi-restraints excluded: chain B residue 258 SER Chi-restraints excluded: chain B residue 260 TRP Chi-restraints excluded: chain B residue 262 LEU Chi-restraints excluded: chain B residue 267 ILE Chi-restraints excluded: chain B residue 276 TRP Chi-restraints excluded: chain B residue 281 ARG Chi-restraints excluded: chain B residue 283 ARG Chi-restraints excluded: chain B residue 285 VAL Chi-restraints excluded: chain B residue 286 THR Chi-restraints excluded: chain B residue 287 THR Chi-restraints excluded: chain B residue 299 LEU Chi-restraints excluded: chain B residue 300 VAL Chi-restraints excluded: chain B residue 302 VAL Chi-restraints excluded: chain B residue 303 ASP Chi-restraints excluded: chain B residue 312 THR Chi-restraints excluded: chain B residue 313 SER Chi-restraints excluded: chain B residue 318 VAL Chi-restraints excluded: chain B residue 320 LYS Chi-restraints excluded: chain B residue 334 MET Chi-restraints excluded: chain B residue 343 GLU Chi-restraints excluded: chain B residue 345 LEU Chi-restraints excluded: chain B residue 348 VAL Chi-restraints excluded: chain B residue 357 LEU Chi-restraints excluded: chain B residue 358 THR Chi-restraints excluded: chain B residue 359 TYR Chi-restraints excluded: chain B residue 373 LYS Chi-restraints excluded: chain B residue 381 GLU Chi-restraints excluded: chain B residue 388 LEU Chi-restraints excluded: chain B residue 389 PHE Chi-restraints excluded: chain B residue 390 LEU Chi-restraints excluded: chain B residue 396 GLU Chi-restraints excluded: chain B residue 419 ASP Chi-restraints excluded: chain B residue 422 SER Chi-restraints excluded: chain B residue 424 LYS Chi-restraints excluded: chain B residue 436 LEU Chi-restraints excluded: chain B residue 444 SER Chi-restraints excluded: chain B residue 453 GLU Chi-restraints excluded: chain B residue 455 PRO Chi-restraints excluded: chain B residue 456 SER Chi-restraints excluded: chain B residue 457 GLU Chi-restraints excluded: chain B residue 459 LEU Chi-restraints excluded: chain B residue 469 ARG Chi-restraints excluded: chain B residue 470 SER Chi-restraints excluded: chain B residue 472 ARG Chi-restraints excluded: chain B residue 477 LEU Chi-restraints excluded: chain B residue 478 PHE Chi-restraints excluded: chain B residue 483 MET Chi-restraints excluded: chain B residue 487 VAL Chi-restraints excluded: chain B residue 488 LEU Chi-restraints excluded: chain B residue 494 LEU Chi-restraints excluded: chain B residue 497 TYR Chi-restraints excluded: chain B residue 499 THR Chi-restraints excluded: chain B residue 503 PHE Chi-restraints excluded: chain B residue 510 GLU Chi-restraints excluded: chain B residue 517 GLU Chi-restraints excluded: chain B residue 519 VAL Chi-restraints excluded: chain B residue 520 ASN Chi-restraints excluded: chain B residue 521 LEU Chi-restraints excluded: chain B residue 524 GLU Chi-restraints excluded: chain B residue 526 LEU Chi-restraints excluded: chain B residue 534 ARG Chi-restraints excluded: chain B residue 537 CYS Chi-restraints excluded: chain B residue 542 THR Chi-restraints excluded: chain B residue 545 ASP Chi-restraints excluded: chain B residue 549 SER Chi-restraints excluded: chain B residue 553 ARG Chi-restraints excluded: chain B residue 557 SER Chi-restraints excluded: chain B residue 566 CYS Chi-restraints excluded: chain B residue 569 ILE Chi-restraints excluded: chain B residue 570 GLU Chi-restraints excluded: chain B residue 573 GLU Chi-restraints excluded: chain B residue 578 ILE Chi-restraints excluded: chain B residue 581 ASN Chi-restraints excluded: chain B residue 587 ILE Chi-restraints excluded: chain B residue 600 LEU Chi-restraints excluded: chain B residue 608 VAL Chi-restraints excluded: chain B residue 614 VAL Chi-restraints excluded: chain B residue 616 SER Chi-restraints excluded: chain B residue 622 THR Chi-restraints excluded: chain B residue 624 ASN Chi-restraints excluded: chain B residue 629 ARG Chi-restraints excluded: chain B residue 634 GLN Chi-restraints excluded: chain B residue 637 LEU Chi-restraints excluded: chain B residue 641 VAL Chi-restraints excluded: chain B residue 643 SER Chi-restraints excluded: chain B residue 648 ILE Chi-restraints excluded: chain B residue 650 VAL Chi-restraints excluded: chain B residue 659 TYR Chi-restraints excluded: chain B residue 662 TRP Chi-restraints excluded: chain B residue 663 TYR Chi-restraints excluded: chain B residue 668 VAL Chi-restraints excluded: chain B residue 669 ASP Chi-restraints excluded: chain B residue 671 VAL Chi-restraints excluded: chain B residue 675 LEU Chi-restraints excluded: chain B residue 680 THR Chi-restraints excluded: chain B residue 683 ARG Chi-restraints excluded: chain B residue 684 VAL Chi-restraints excluded: chain B residue 692 TYR Chi-restraints excluded: chain B residue 700 GLU Chi-restraints excluded: chain B residue 707 VAL Chi-restraints excluded: chain B residue 710 ASP Chi-restraints excluded: chain B residue 716 PHE Chi-restraints excluded: chain B residue 719 LEU Chi-restraints excluded: chain B residue 720 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 744 VAL Chi-restraints excluded: chain B residue 751 SER Chi-restraints excluded: chain B residue 752 VAL Chi-restraints excluded: chain B residue 754 SER Chi-restraints excluded: chain B residue 758 ARG Chi-restraints excluded: chain B residue 776 LEU Chi-restraints excluded: chain B residue 780 VAL Chi-restraints excluded: chain B residue 784 SER Chi-restraints excluded: chain B residue 787 VAL Chi-restraints excluded: chain B residue 788 LYS Chi-restraints excluded: chain B residue 791 PHE Chi-restraints excluded: chain B residue 793 LEU Chi-restraints excluded: chain B residue 800 PHE Chi-restraints excluded: chain B residue 803 LEU Chi-restraints excluded: chain B residue 812 HIS Chi-restraints excluded: chain B residue 831 ARG Chi-restraints excluded: chain B residue 835 ARG Chi-restraints excluded: chain B residue 840 VAL Chi-restraints excluded: chain B residue 850 ASP Chi-restraints excluded: chain B residue 866 HIS Chi-restraints excluded: chain B residue 867 LEU Chi-restraints excluded: chain B residue 868 GLU Chi-restraints excluded: chain B residue 869 ARG Chi-restraints excluded: chain B residue 870 ILE Chi-restraints excluded: chain B residue 887 ILE Chi-restraints excluded: chain B residue 891 TRP Chi-restraints excluded: chain B residue 893 TYR Chi-restraints excluded: chain B residue 907 LEU Chi-restraints excluded: chain B residue 931 THR Chi-restraints excluded: chain B residue 944 GLU Chi-restraints excluded: chain B residue 974 HIS Chi-restraints excluded: chain B residue 978 THR Chi-restraints excluded: chain B residue 1034 SER Chi-restraints excluded: chain B residue 1036 ARG Chi-restraints excluded: chain B residue 1037 ASP Chi-restraints excluded: chain B residue 1044 ARG Chi-restraints excluded: chain B residue 1046 LEU Chi-restraints excluded: chain B residue 1076 ARG Chi-restraints excluded: chain B residue 1079 LYS Chi-restraints excluded: chain B residue 1080 SER Chi-restraints excluded: chain B residue 1082 THR Chi-restraints excluded: chain B residue 1083 VAL Chi-restraints excluded: chain B residue 1099 GLU Chi-restraints excluded: chain B residue 1102 VAL Chi-restraints excluded: chain B residue 1110 ARG Chi-restraints excluded: chain B residue 1112 ASP Chi-restraints excluded: chain B residue 1113 VAL Chi-restraints excluded: chain B residue 1120 LEU Chi-restraints excluded: chain B residue 1123 VAL Chi-restraints excluded: chain B residue 1127 HIS Chi-restraints excluded: chain B residue 1133 HIS Chi-restraints excluded: chain B residue 1134 LEU Chi-restraints excluded: chain B residue 1139 PHE Chi-restraints excluded: chain B residue 1141 ARG Chi-restraints excluded: chain B residue 1148 VAL Chi-restraints excluded: chain B residue 1149 VAL 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 1159 THR Chi-restraints excluded: chain B residue 1179 PHE Chi-restraints excluded: chain B residue 1184 ILE Chi-restraints excluded: chain B residue 1191 VAL Chi-restraints excluded: chain B residue 1193 SER Chi-restraints excluded: chain B residue 1198 GLN Chi-restraints excluded: chain B residue 1201 HIS 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 1210 SER Chi-restraints excluded: chain B residue 1214 PHE Chi-restraints excluded: chain B residue 1230 MET Chi-restraints excluded: chain B residue 1232 ARG Chi-restraints excluded: chain B residue 1234 VAL Chi-restraints excluded: chain B residue 1239 SER Chi-restraints excluded: chain B residue 1241 SER Chi-restraints excluded: chain B residue 1242 LEU Chi-restraints excluded: chain B residue 1252 HIS Chi-restraints excluded: chain B residue 1255 TYR Chi-restraints excluded: chain B residue 1260 MET Chi-restraints excluded: chain B residue 1266 THR Chi-restraints excluded: chain B residue 1274 HIS Chi-restraints excluded: chain B residue 1574 PRO 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 1608 MET Chi-restraints excluded: chain B residue 1612 PHE Chi-restraints excluded: chain B residue 1630 CYS Chi-restraints excluded: chain B residue 1635 THR Chi-restraints excluded: chain B residue 1637 MET Chi-restraints excluded: chain B residue 1639 LEU Chi-restraints excluded: chain B residue 1647 CYS Chi-restraints excluded: chain B residue 1648 MET Chi-restraints excluded: chain B residue 1653 LEU Chi-restraints excluded: chain B residue 1654 SER Chi-restraints excluded: chain B residue 1655 GLU Chi-restraints excluded: chain B residue 1657 LEU Chi-restraints excluded: chain B residue 1664 SER Chi-restraints excluded: chain B residue 1666 THR Chi-restraints excluded: chain B residue 1681 VAL Chi-restraints excluded: chain B residue 1687 SER Chi-restraints excluded: chain B residue 1693 GLN Chi-restraints excluded: chain B residue 1695 LEU Chi-restraints excluded: chain B residue 1700 ASP Chi-restraints excluded: chain B residue 1702 HIS Chi-restraints excluded: chain B residue 1703 LEU Chi-restraints excluded: chain B residue 1706 PRO Chi-restraints excluded: chain B residue 1714 LEU Chi-restraints excluded: chain B residue 1716 ILE Chi-restraints excluded: chain B residue 1717 SER Chi-restraints excluded: chain B residue 1720 LEU Chi-restraints excluded: chain B residue 1721 GLU Chi-restraints excluded: chain B residue 1724 CYS Chi-restraints excluded: chain B residue 1727 ARG Chi-restraints excluded: chain B residue 1730 MET Chi-restraints excluded: chain B residue 1731 LEU Chi-restraints excluded: chain B residue 1733 GLU Chi-restraints excluded: chain B residue 1736 VAL Chi-restraints excluded: chain B residue 1739 THR Chi-restraints excluded: chain B residue 1742 THR Chi-restraints excluded: chain B residue 1745 ILE Chi-restraints excluded: chain B residue 1768 THR Chi-restraints excluded: chain B residue 1769 THR Chi-restraints excluded: chain B residue 1771 LEU Chi-restraints excluded: chain B residue 1776 HIS Chi-restraints excluded: chain B residue 1786 LEU Chi-restraints excluded: chain B residue 1798 LEU Chi-restraints excluded: chain B residue 1802 ILE Chi-restraints excluded: chain B residue 1813 ARG Chi-restraints excluded: chain B residue 1817 GLU Chi-restraints excluded: chain B residue 1830 VAL Chi-restraints excluded: chain B residue 1833 SER Chi-restraints excluded: chain B residue 1834 VAL Chi-restraints excluded: chain B residue 1845 VAL Chi-restraints excluded: chain B residue 1847 THR Chi-restraints excluded: chain B residue 1850 VAL Chi-restraints excluded: chain B residue 1934 SER Chi-restraints excluded: chain B residue 1935 VAL Chi-restraints excluded: chain B residue 1947 CYS Chi-restraints excluded: chain B residue 1953 HIS Chi-restraints excluded: chain B residue 1955 VAL Chi-restraints excluded: chain B residue 1958 LEU Chi-restraints excluded: chain B residue 1963 GLU Chi-restraints excluded: chain B residue 1965 TYR Chi-restraints excluded: chain B residue 1969 LEU Chi-restraints excluded: chain B residue 1973 GLN Chi-restraints excluded: chain B residue 1980 LEU Chi-restraints excluded: chain B residue 2006 ILE Chi-restraints excluded: chain B residue 2010 LEU Chi-restraints excluded: chain B residue 2011 HIS Chi-restraints excluded: chain B residue 2028 ARG Chi-restraints excluded: chain B residue 2031 LEU Chi-restraints excluded: chain B residue 2041 HIS Chi-restraints excluded: chain B residue 2097 LEU Chi-restraints excluded: chain B residue 2098 VAL Chi-restraints excluded: chain B residue 2103 VAL Chi-restraints excluded: chain B residue 2117 VAL Chi-restraints excluded: chain B residue 2122 SER Chi-restraints excluded: chain B residue 2126 ARG Chi-restraints excluded: chain B residue 2140 ARG Chi-restraints excluded: chain B residue 2148 SER Chi-restraints excluded: chain B residue 2152 THR Chi-restraints excluded: chain B residue 2162 ILE Chi-restraints excluded: chain B residue 2164 SER Chi-restraints excluded: chain B residue 2166 LEU Chi-restraints excluded: chain B residue 2167 ILE Chi-restraints excluded: chain B residue 2172 PRO Chi-restraints excluded: chain B residue 2187 ASN Chi-restraints excluded: chain B residue 2191 PHE Chi-restraints excluded: chain B residue 2192 TYR Chi-restraints excluded: chain B residue 2194 HIS Chi-restraints excluded: chain B residue 2203 MET Chi-restraints excluded: chain B residue 2210 VAL Chi-restraints excluded: chain B residue 2215 LEU Chi-restraints excluded: chain B residue 2223 ILE Chi-restraints excluded: chain B residue 2229 VAL Chi-restraints excluded: chain B residue 2240 CYS Chi-restraints excluded: chain B residue 2245 GLN Chi-restraints excluded: chain B residue 2246 ASN Chi-restraints excluded: chain B residue 2249 SER Chi-restraints excluded: chain B residue 2253 HIS Chi-restraints excluded: chain B residue 2273 LEU Chi-restraints excluded: chain B residue 2274 ASP Chi-restraints excluded: chain B residue 2275 VAL Chi-restraints excluded: chain B residue 2279 SER Chi-restraints excluded: chain B residue 2281 ILE Chi-restraints excluded: chain B residue 2286 LEU Chi-restraints excluded: chain B residue 2290 LEU Chi-restraints excluded: chain B residue 2299 VAL Chi-restraints excluded: chain B residue 2300 SER Chi-restraints excluded: chain B residue 2301 TYR Chi-restraints excluded: chain B residue 2302 LEU Chi-restraints excluded: chain B residue 2314 LEU Chi-restraints excluded: chain B residue 2336 ARG Chi-restraints excluded: chain B residue 2341 VAL Chi-restraints excluded: chain B residue 2364 PHE Chi-restraints excluded: chain B residue 2418 LEU Chi-restraints excluded: chain B residue 2420 HIS Chi-restraints excluded: chain B residue 2438 PRO Chi-restraints excluded: chain B residue 2442 LEU Chi-restraints excluded: chain B residue 2443 ILE Chi-restraints excluded: chain B residue 2451 LEU Chi-restraints excluded: chain B residue 2456 ILE Chi-restraints excluded: chain B residue 2457 LEU Chi-restraints excluded: chain B residue 2458 ARG Chi-restraints excluded: chain B residue 2460 LEU Chi-restraints excluded: chain B residue 2470 ILE Chi-restraints excluded: chain B residue 2752 ASP Chi-restraints excluded: chain B residue 2761 TYR Chi-restraints excluded: chain B residue 2762 THR Chi-restraints excluded: chain B residue 2777 TYR Chi-restraints excluded: chain B residue 2779 GLU Chi-restraints excluded: chain B residue 2787 THR Chi-restraints excluded: chain B residue 2807 TRP Chi-restraints excluded: chain B residue 2809 ILE Chi-restraints excluded: chain B residue 2811 GLU Chi-restraints excluded: chain B residue 2869 ARG Chi-restraints excluded: chain B residue 2872 GLN Chi-restraints excluded: chain B residue 2882 TYR Chi-restraints excluded: chain B residue 2883 HIS Chi-restraints excluded: chain B residue 2884 ASN Chi-restraints excluded: chain B residue 2889 LYS Chi-restraints excluded: chain B residue 2892 GLN Chi-restraints excluded: chain B residue 2894 LEU Chi-restraints excluded: chain B residue 2895 GLU Chi-restraints excluded: chain B residue 2901 THR Chi-restraints excluded: chain B residue 2904 LEU Chi-restraints excluded: chain B residue 2908 TYR Chi-restraints excluded: chain B residue 2912 THR Chi-restraints excluded: chain B residue 2932 MET Chi-restraints excluded: chain B residue 3641 LEU Chi-restraints excluded: chain B residue 3642 TYR Chi-restraints excluded: chain B residue 3643 ASN Chi-restraints excluded: chain B residue 3647 HIS Chi-restraints excluded: chain B residue 3648 ARG Chi-restraints excluded: chain B residue 3656 SER Chi-restraints excluded: chain B residue 3657 TYR Chi-restraints excluded: chain B residue 3658 LYS Chi-restraints excluded: chain B residue 3661 TRP Chi-restraints excluded: chain B residue 3663 LEU Chi-restraints excluded: chain B residue 3669 PHE Chi-restraints excluded: chain B residue 3671 ASP Chi-restraints excluded: chain B residue 3673 MET Chi-restraints excluded: chain B residue 3674 ILE Chi-restraints excluded: chain B residue 3678 SER Chi-restraints excluded: chain B residue 3696 ASP Chi-restraints excluded: chain B residue 3703 LEU Chi-restraints excluded: chain B residue 3708 THR Chi-restraints excluded: chain B residue 3710 LEU Chi-restraints excluded: chain B residue 3711 THR Chi-restraints excluded: chain B residue 3712 GLU Chi-restraints excluded: chain B residue 3727 ASP Chi-restraints excluded: chain B residue 3733 CYS Chi-restraints excluded: chain B residue 3751 VAL Chi-restraints excluded: chain B residue 3752 SER Chi-restraints excluded: chain B residue 3753 PHE Chi-restraints excluded: chain B residue 3761 GLN Chi-restraints excluded: chain B residue 3762 ARG Chi-restraints excluded: chain B residue 3764 LEU Chi-restraints excluded: chain B residue 3768 SER Chi-restraints excluded: chain B residue 3790 THR Chi-restraints excluded: chain B residue 3794 VAL Chi-restraints excluded: chain B residue 3795 SER Chi-restraints excluded: chain B residue 3803 SER Chi-restraints excluded: chain B residue 3804 ILE Chi-restraints excluded: chain B residue 3805 LEU Chi-restraints excluded: chain B residue 3809 ASN Chi-restraints excluded: chain B residue 3822 ASP Chi-restraints excluded: chain B residue 3825 GLU Chi-restraints excluded: chain B residue 3830 GLN Chi-restraints excluded: chain B residue 3835 LEU Chi-restraints excluded: chain B residue 3836 MET Chi-restraints excluded: chain B residue 3838 THR Chi-restraints excluded: chain B residue 3842 LEU Chi-restraints excluded: chain B residue 3886 ARG Chi-restraints excluded: chain B residue 3890 LEU Chi-restraints excluded: chain B residue 3892 CYS Chi-restraints excluded: chain B residue 3899 PHE Chi-restraints excluded: chain B residue 3905 THR Chi-restraints excluded: chain B residue 3907 THR Chi-restraints excluded: chain B residue 3910 THR Chi-restraints excluded: chain B residue 3911 THR Chi-restraints excluded: chain B residue 3913 ILE Chi-restraints excluded: chain B residue 3919 THR Chi-restraints excluded: chain B residue 3920 VAL Chi-restraints excluded: chain B residue 3930 ILE Chi-restraints excluded: chain B residue 3938 SER Chi-restraints excluded: chain B residue 3950 ASN Chi-restraints excluded: chain B residue 3952 SER Chi-restraints excluded: chain B residue 3964 SER Chi-restraints excluded: chain B residue 3966 THR Chi-restraints excluded: chain B residue 3973 CYS Chi-restraints excluded: chain B residue 3974 THR Chi-restraints excluded: chain B residue 3979 SER Chi-restraints excluded: chain B residue 3984 ARG Chi-restraints excluded: chain B residue 4001 MET Chi-restraints excluded: chain B residue 4021 LYS Chi-restraints excluded: chain B residue 4040 ILE Chi-restraints excluded: chain B residue 4044 MET Chi-restraints excluded: chain B residue 4053 SER Chi-restraints excluded: chain B residue 4054 ASN Chi-restraints excluded: chain B residue 4066 LEU Chi-restraints excluded: chain B residue 4072 VAL Chi-restraints excluded: chain B residue 4074 SER Chi-restraints excluded: chain B residue 4078 GLN Chi-restraints excluded: chain B residue 4081 VAL Chi-restraints excluded: chain B residue 4082 THR Chi-restraints excluded: chain B residue 4083 ASP Chi-restraints excluded: chain B residue 4088 ILE Chi-restraints excluded: chain B residue 4092 ASP Chi-restraints excluded: chain B residue 4097 MET Chi-restraints excluded: chain B residue 4098 ASP Chi-restraints excluded: chain B residue 4100 GLN Chi-restraints excluded: chain B residue 4102 GLN Chi-restraints excluded: chain B residue 4104 THR Chi-restraints excluded: chain B residue 4108 ILE Chi-restraints excluded: chain B residue 4113 SER Chi-restraints excluded: chain B residue 4115 SER Chi-restraints excluded: chain B residue 4116 GLU Chi-restraints excluded: chain B residue 4118 ASP Chi-restraints excluded: chain B residue 4119 GLU 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 4132 PHE Chi-restraints excluded: chain B residue 4142 ASN Chi-restraints excluded: chain B residue 4151 SER Chi-restraints excluded: chain B residue 4161 ARG Chi-restraints excluded: chain B residue 4166 LEU Chi-restraints excluded: chain B residue 4168 GLU Chi-restraints excluded: chain B residue 4170 ILE Chi-restraints excluded: chain B residue 4182 GLU Chi-restraints excluded: chain B residue 4187 SER Chi-restraints excluded: chain B residue 4197 ILE Chi-restraints excluded: chain B residue 4199 GLU Chi-restraints excluded: chain B residue 4205 TRP Chi-restraints excluded: chain B residue 4213 SER Chi-restraints excluded: chain B residue 4217 PHE Chi-restraints excluded: chain B residue 4218 ILE Chi-restraints excluded: chain B residue 4221 VAL Chi-restraints excluded: chain B residue 4241 THR Chi-restraints excluded: chain B residue 4246 GLN Chi-restraints excluded: chain B residue 4251 ILE Chi-restraints excluded: chain B residue 4549 VAL Chi-restraints excluded: chain B residue 4552 LEU Chi-restraints excluded: chain B residue 4553 ASN Chi-restraints excluded: chain B residue 4561 THR Chi-restraints excluded: chain B residue 4562 LEU Chi-restraints excluded: chain B residue 4563 ARG Chi-restraints excluded: chain B residue 4569 LEU Chi-restraints excluded: chain B residue 4571 PHE Chi-restraints excluded: chain B residue 4573 ILE Chi-restraints excluded: chain B residue 4580 TYR Chi-restraints excluded: chain B residue 4584 ASP Chi-restraints excluded: chain B residue 4628 VAL Chi-restraints excluded: chain B residue 4631 PHE Chi-restraints excluded: chain B residue 4632 LEU Chi-restraints excluded: chain B residue 4636 THR Chi-restraints excluded: chain B residue 4638 TYR Chi-restraints excluded: chain B residue 4643 LEU Chi-restraints excluded: chain B residue 4648 LEU Chi-restraints excluded: chain B residue 4651 THR Chi-restraints excluded: chain B residue 4670 ILE Chi-restraints excluded: chain B residue 4676 GLU Chi-restraints excluded: chain B residue 4682 GLU Chi-restraints excluded: chain B residue 4688 ILE Chi-restraints excluded: chain B residue 4694 ASP Chi-restraints excluded: chain B residue 4695 ASP Chi-restraints excluded: chain B residue 4723 LYS Chi-restraints excluded: chain B residue 4724 VAL Chi-restraints excluded: chain B residue 4728 HIS Chi-restraints excluded: chain B residue 4736 ARG Chi-restraints excluded: chain B residue 4741 LEU Chi-restraints excluded: chain B residue 4743 MET Chi-restraints excluded: chain B residue 4744 ASP Chi-restraints excluded: chain B residue 4751 THR Chi-restraints excluded: chain B residue 4765 LEU Chi-restraints excluded: chain B residue 4768 LEU Chi-restraints excluded: chain B residue 4770 SER Chi-restraints excluded: chain B residue 4782 VAL Chi-restraints excluded: chain B residue 4788 SER Chi-restraints excluded: chain B residue 4797 VAL Chi-restraints excluded: chain B residue 4799 SER Chi-restraints excluded: chain B residue 4804 TYR Chi-restraints excluded: chain B residue 4816 ILE Chi-restraints excluded: chain B residue 4818 MET Chi-restraints excluded: chain B residue 4822 THR Chi-restraints excluded: chain B residue 4827 LEU Chi-restraints excluded: chain B residue 4828 SER Chi-restraints excluded: chain B residue 4831 THR Chi-restraints excluded: chain B residue 4840 THR Chi-restraints excluded: chain B residue 4852 THR Chi-restraints excluded: chain B residue 4856 PHE Chi-restraints excluded: chain B residue 4858 PHE Chi-restraints excluded: chain B residue 4860 ARG Chi-restraints excluded: chain B residue 4861 LYS Chi-restraints excluded: chain B residue 4865 LYS Chi-restraints excluded: chain B residue 4870 ASP Chi-restraints excluded: chain B residue 4873 ASP Chi-restraints excluded: chain B residue 4876 CYS Chi-restraints excluded: chain B residue 4879 MET Chi-restraints excluded: chain B residue 4881 THR Chi-restraints excluded: chain B residue 4887 MET Chi-restraints excluded: chain B residue 4888 TYR Chi-restraints excluded: chain B residue 4891 VAL Chi-restraints excluded: chain B residue 4910 GLU Chi-restraints excluded: chain B residue 4915 VAL Chi-restraints excluded: chain B residue 4916 PHE Chi-restraints excluded: chain B residue 4917 ASP Chi-restraints excluded: chain B residue 4918 ILE Chi-restraints excluded: chain B residue 4919 THR Chi-restraints excluded: chain B residue 4925 ILE Chi-restraints excluded: chain B residue 4926 VAL Chi-restraints excluded: chain B residue 4928 LEU Chi-restraints excluded: chain B residue 4943 LEU Chi-restraints excluded: chain B residue 4947 GLN Chi-restraints excluded: chain B residue 4950 VAL Chi-restraints excluded: chain B residue 4952 GLU Chi-restraints excluded: chain B residue 4953 ASP Chi-restraints excluded: chain B residue 4956 THR Chi-restraints excluded: chain B residue 4961 CYS Chi-restraints excluded: chain B residue 4963 ILE Chi-restraints excluded: chain B residue 4965 SER Chi-restraints excluded: chain B residue 4970 THR Chi-restraints excluded: chain B residue 4971 THR Chi-restraints excluded: chain B residue 4977 THR Chi-restraints excluded: chain B residue 4979 THR Chi-restraints excluded: chain B residue 4985 LEU Chi-restraints excluded: chain B residue 4989 MET Chi-restraints excluded: chain B residue 4997 ASN Chi-restraints excluded: chain B residue 5001 THR Chi-restraints excluded: chain B residue 5008 SER Chi-restraints excluded: chain B residue 5016 GLU Chi-restraints excluded: chain B residue 5018 CYS Chi-restraints excluded: chain B residue 5020 ASP Chi-restraints excluded: chain B residue 5021 PHE Chi-restraints excluded: chain B residue 5034 ASP Chi-restraints excluded: chain B residue 5036 LEU Chi-restraints excluded: chain B residue 5037 SER 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 218 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 379 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 617 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 624 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 647 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 735 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 736 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A 866 HIS ** A 904 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 921 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A2005 GLN ** A2112 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2194 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2883 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3830 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3946 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3998 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4162 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A4204 GLN ** A4553 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4714 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4947 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 71 GLN ** C 218 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 379 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 520 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 617 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 624 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 647 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 735 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 736 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C 866 HIS ** C 904 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 921 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C1688 HIS ** C1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C2005 GLN ** C2112 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2194 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2883 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2924 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3830 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3946 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3998 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4133 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4162 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4553 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4714 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4803 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 218 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 379 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 520 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D 647 ASN ** D 735 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 736 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D 866 HIS ** D 904 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 921 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D2005 GLN ** D2112 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2194 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2877 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2883 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2924 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3781 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3830 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3998 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D4043 GLN ** D4553 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4714 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4803 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 218 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 379 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 624 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 647 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 735 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 736 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 904 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 921 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B2005 GLN ** B2112 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2194 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2883 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3830 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3946 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3998 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4133 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4162 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B4204 GLN ** B4553 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4714 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4803 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 13 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8436 moved from start: 0.8839 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.055 0.439 119505 Z= 3.537 Angle : 3.091 37.551 162917 Z= 1.568 Chirality : 0.153 0.936 19033 Planarity : 0.021 0.407 21423 Dihedral : 14.362 90.618 17817 Min Nonbonded Distance : 1.094 Molprobity Statistics. All-atom Clashscore : 88.38 Ramachandran Plot: Outliers : 2.34 % Allowed : 37.80 % Favored : 59.86 % Rotamer: Outliers : 27.96 % Allowed : 25.89 % Favored : 46.16 % Cbeta Deviations : 0.57 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 5.76 % Twisted General : 3.47 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -7.35 (0.04), residues: 12808 helix: -4.65 (0.04), residues: 5676 sheet: -3.78 (0.14), residues: 1024 loop : -5.41 (0.05), residues: 6108 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.096 0.012 TRP D5011 HIS 0.041 0.007 HIS A3647 PHE 0.111 0.012 PHE B1238 TYR 0.112 0.011 TYR A 359 ARG 0.054 0.003 ARG D3773 *********************** REFINEMENT MACRO_CYCLE 7 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 25616 Ramachandran restraints generated. 12808 Oldfield, 0 Emsley, 12808 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 25616 Ramachandran restraints generated. 12808 Oldfield, 0 Emsley, 12808 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3360 residues out of total 11248 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2808 poor density : 552 time to evaluate : 8.861 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 50 GLU cc_start: 0.8646 (OUTLIER) cc_final: 0.8016 (tp30) REVERT: A 69 LEU cc_start: 0.8925 (OUTLIER) cc_final: 0.8704 (pt) REVERT: A 115 ARG cc_start: 0.9076 (OUTLIER) cc_final: 0.8501 (mmm-85) REVERT: A 150 MET cc_start: 0.8918 (OUTLIER) cc_final: 0.7458 (mpt) REVERT: A 159 GLU cc_start: 0.8814 (OUTLIER) cc_final: 0.8434 (tm-30) REVERT: A 229 GLU cc_start: 0.7667 (OUTLIER) cc_final: 0.7323 (tt0) REVERT: A 243 ARG cc_start: 0.8601 (OUTLIER) cc_final: 0.7331 (mmm160) REVERT: A 276 TRP cc_start: 0.7020 (OUTLIER) cc_final: 0.6381 (m100) REVERT: A 283 ARG cc_start: 0.8053 (OUTLIER) cc_final: 0.7277 (ttm170) REVERT: A 403 MET cc_start: 0.8863 (mtp) cc_final: 0.8631 (mtp) REVERT: A 419 ASP cc_start: 0.8643 (OUTLIER) cc_final: 0.8248 (m-30) REVERT: A 521 LEU cc_start: 0.9606 (OUTLIER) cc_final: 0.9205 (tt) REVERT: A 524 GLU cc_start: 0.8944 (OUTLIER) cc_final: 0.8568 (mp0) REVERT: A 581 ASN cc_start: 0.7965 (OUTLIER) cc_final: 0.7660 (p0) REVERT: A 652 ARG cc_start: 0.7282 (OUTLIER) cc_final: 0.6774 (ttp-170) REVERT: A 659 TYR cc_start: 0.5534 (OUTLIER) cc_final: 0.4714 (m-80) REVERT: A 662 TRP cc_start: 0.7536 (OUTLIER) cc_final: 0.6997 (m-10) REVERT: A 663 TYR cc_start: 0.6625 (OUTLIER) cc_final: 0.5980 (t80) REVERT: A 700 GLU cc_start: 0.7761 (OUTLIER) cc_final: 0.7409 (mp0) REVERT: A 735 GLN cc_start: 0.8700 (OUTLIER) cc_final: 0.8152 (mt0) REVERT: A 831 ARG cc_start: 0.8831 (OUTLIER) cc_final: 0.8440 (ptp-170) REVERT: A 869 ARG cc_start: 0.6514 (OUTLIER) cc_final: 0.5099 (ptt180) REVERT: A 870 ILE cc_start: 0.5884 (OUTLIER) cc_final: 0.4861 (mt) REVERT: A 893 TYR cc_start: 0.4910 (OUTLIER) cc_final: 0.3895 (p90) REVERT: A 944 GLU cc_start: 0.2332 (OUTLIER) cc_final: 0.1938 (tt0) REVERT: A 1036 ARG cc_start: 0.6828 (OUTLIER) cc_final: 0.5229 (tmt170) REVERT: A 1044 ARG cc_start: 0.3095 (OUTLIER) cc_final: 0.2275 (tpp80) REVERT: A 1099 GLU cc_start: 0.8414 (OUTLIER) cc_final: 0.8101 (tp30) REVERT: A 1110 ARG cc_start: 0.9055 (OUTLIER) cc_final: 0.8716 (ptp-110) REVERT: A 1133 HIS cc_start: 0.9341 (OUTLIER) cc_final: 0.8737 (t-170) REVERT: A 1141 ARG cc_start: 0.8825 (OUTLIER) cc_final: 0.8110 (ptm160) REVERT: A 1152 MET cc_start: 0.8705 (OUTLIER) cc_final: 0.8469 (mtm) REVERT: A 1202 LEU cc_start: 0.9390 (OUTLIER) cc_final: 0.8964 (tp) REVERT: A 1230 MET cc_start: 0.9080 (OUTLIER) cc_final: 0.8266 (mtt) REVERT: A 1232 ARG cc_start: 0.9121 (OUTLIER) cc_final: 0.8743 (ptt90) REVERT: A 1242 LEU cc_start: 0.9279 (OUTLIER) cc_final: 0.9031 (mp) REVERT: A 1255 TYR cc_start: 0.8854 (OUTLIER) cc_final: 0.7527 (m-80) REVERT: A 1652 GLU cc_start: 0.9489 (OUTLIER) cc_final: 0.8950 (tm-30) REVERT: A 1653 LEU cc_start: 0.9502 (OUTLIER) cc_final: 0.9033 (mp) REVERT: A 1655 GLU cc_start: 0.8691 (OUTLIER) cc_final: 0.7802 (tm-30) REVERT: A 1656 ARG cc_start: 0.9331 (OUTLIER) cc_final: 0.9038 (mmm-85) REVERT: A 1714 LEU cc_start: 0.9472 (OUTLIER) cc_final: 0.8928 (mp) REVERT: A 1727 ARG cc_start: 0.8707 (OUTLIER) cc_final: 0.8184 (tpp80) REVERT: A 1733 GLU cc_start: 0.8618 (OUTLIER) cc_final: 0.8104 (mp0) REVERT: A 1939 MET cc_start: 0.9118 (mmm) cc_final: 0.8846 (tpp) REVERT: A 1963 GLU cc_start: 0.8426 (OUTLIER) cc_final: 0.8155 (pp20) REVERT: A 1965 TYR cc_start: 0.8099 (OUTLIER) cc_final: 0.7607 (t80) REVERT: A 1973 GLN cc_start: 0.7560 (OUTLIER) cc_final: 0.7143 (tm-30) REVERT: A 2028 ARG cc_start: 0.8818 (OUTLIER) cc_final: 0.8599 (ptt180) REVERT: A 2126 ARG cc_start: 0.9440 (OUTLIER) cc_final: 0.9211 (mtp85) REVERT: A 2178 MET cc_start: 0.8623 (tpp) cc_final: 0.8406 (tpp) REVERT: A 2191 PHE cc_start: 0.9177 (OUTLIER) cc_final: 0.8384 (t80) REVERT: A 2245 GLN cc_start: 0.9515 (OUTLIER) cc_final: 0.8804 (mm-40) REVERT: A 2336 ARG cc_start: 0.8974 (OUTLIER) cc_final: 0.8575 (ttp-110) REVERT: A 2364 PHE cc_start: 0.7580 (OUTLIER) cc_final: 0.6684 (m-80) REVERT: A 2420 HIS cc_start: 0.8309 (OUTLIER) cc_final: 0.7990 (t70) REVERT: A 2458 ARG cc_start: 0.7805 (OUTLIER) cc_final: 0.7469 (tpt90) REVERT: A 2741 GLU cc_start: 0.7309 (OUTLIER) cc_final: 0.7106 (pm20) REVERT: A 2777 TYR cc_start: -0.1257 (OUTLIER) cc_final: -0.1614 (m-80) REVERT: A 2779 GLU cc_start: 0.1997 (OUTLIER) cc_final: 0.0581 (mt-10) REVERT: A 2811 GLU cc_start: 0.2969 (OUTLIER) cc_final: 0.2554 (mm-30) REVERT: A 2928 LYS cc_start: 0.2601 (OUTLIER) cc_final: 0.2316 (mtpt) REVERT: A 3642 TYR cc_start: 0.7765 (OUTLIER) cc_final: 0.6530 (p90) REVERT: A 3643 ASN cc_start: 0.7556 (OUTLIER) cc_final: 0.7270 (p0) REVERT: A 3647 HIS cc_start: 0.8087 (OUTLIER) cc_final: 0.7489 (p90) REVERT: A 3710 LEU cc_start: 0.9356 (OUTLIER) cc_final: 0.9112 (tt) REVERT: A 3731 LYS cc_start: 0.9103 (OUTLIER) cc_final: 0.8836 (ptmm) REVERT: A 3753 PHE cc_start: 0.8031 (OUTLIER) cc_final: 0.7671 (t80) REVERT: A 3805 LEU cc_start: 0.9635 (OUTLIER) cc_final: 0.9317 (pp) REVERT: A 3835 LEU cc_start: 0.9490 (OUTLIER) cc_final: 0.9158 (tt) REVERT: A 3886 ARG cc_start: 0.9382 (OUTLIER) cc_final: 0.8472 (tpt90) REVERT: A 4054 ASN cc_start: 0.9040 (OUTLIER) cc_final: 0.8476 (m-40) REVERT: A 4066 LEU cc_start: 0.9479 (OUTLIER) cc_final: 0.9201 (mp) REVERT: A 4071 ILE cc_start: 0.9368 (OUTLIER) cc_final: 0.9163 (tt) REVERT: A 4078 GLN cc_start: 0.9439 (OUTLIER) cc_final: 0.8654 (tm-30) REVERT: A 4097 MET cc_start: 0.9017 (OUTLIER) cc_final: 0.8471 (mpp) REVERT: A 4108 ILE cc_start: 0.9210 (OUTLIER) cc_final: 0.8975 (mm) REVERT: A 4132 PHE cc_start: 0.8635 (OUTLIER) cc_final: 0.8177 (m-10) REVERT: A 4142 ASN cc_start: 0.9557 (OUTLIER) cc_final: 0.8937 (t0) REVERT: A 4205 TRP cc_start: 0.9586 (OUTLIER) cc_final: 0.9258 (t-100) REVERT: A 4562 LEU cc_start: 0.9187 (OUTLIER) cc_final: 0.8896 (tt) REVERT: A 4563 ARG cc_start: 0.8928 (OUTLIER) cc_final: 0.8287 (tpt90) REVERT: A 4580 TYR cc_start: 0.9432 (OUTLIER) cc_final: 0.8112 (m-80) REVERT: A 4634 GLU cc_start: 0.6054 (OUTLIER) cc_final: 0.5722 (mm-30) REVERT: A 4736 ARG cc_start: 0.9175 (OUTLIER) cc_final: 0.8470 (mtp85) REVERT: A 4770 SER cc_start: 0.7333 (OUTLIER) cc_final: 0.6987 (p) REVERT: A 4803 HIS cc_start: 0.8736 (OUTLIER) cc_final: 0.8474 (m90) REVERT: A 4839 MET cc_start: 0.8813 (mmm) cc_final: 0.8589 (mmm) REVERT: A 4913 ARG cc_start: 0.8847 (OUTLIER) cc_final: 0.7918 (tpt90) REVERT: A 4953 ASP cc_start: 0.8992 (OUTLIER) cc_final: 0.8644 (t0) REVERT: A 4957 LYS cc_start: 0.8961 (OUTLIER) cc_final: 0.8680 (mmtp) REVERT: A 5020 ASP cc_start: 0.9422 (OUTLIER) cc_final: 0.9148 (m-30) REVERT: C 50 GLU cc_start: 0.8635 (OUTLIER) cc_final: 0.8002 (tp30) REVERT: C 69 LEU cc_start: 0.8947 (OUTLIER) cc_final: 0.8738 (pt) REVERT: C 115 ARG cc_start: 0.9070 (OUTLIER) cc_final: 0.8501 (mmm-85) REVERT: C 159 GLU cc_start: 0.8702 (OUTLIER) cc_final: 0.8446 (tp30) REVERT: C 229 GLU cc_start: 0.7658 (OUTLIER) cc_final: 0.7317 (tt0) REVERT: C 243 ARG cc_start: 0.8575 (OUTLIER) cc_final: 0.7312 (mmm160) REVERT: C 260 TRP cc_start: 0.8866 (OUTLIER) cc_final: 0.7460 (m100) REVERT: C 276 TRP cc_start: 0.7120 (OUTLIER) cc_final: 0.6494 (m100) REVERT: C 320 LYS cc_start: 0.4432 (OUTLIER) cc_final: 0.4225 (mmmt) REVERT: C 405 HIS cc_start: 0.8954 (OUTLIER) cc_final: 0.8701 (t-90) REVERT: C 419 ASP cc_start: 0.8571 (OUTLIER) cc_final: 0.8181 (m-30) REVERT: C 524 GLU cc_start: 0.8933 (OUTLIER) cc_final: 0.8412 (mp0) REVERT: C 581 ASN cc_start: 0.7906 (OUTLIER) cc_final: 0.7654 (p0) REVERT: C 629 ARG cc_start: 0.8930 (OUTLIER) cc_final: 0.8601 (mtp85) REVERT: C 652 ARG cc_start: 0.7277 (OUTLIER) cc_final: 0.6768 (ttp-170) REVERT: C 659 TYR cc_start: 0.5564 (OUTLIER) cc_final: 0.4756 (m-80) REVERT: C 662 TRP cc_start: 0.7490 (OUTLIER) cc_final: 0.6939 (m-10) REVERT: C 663 TYR cc_start: 0.6566 (OUTLIER) cc_final: 0.5883 (t80) REVERT: C 683 ARG cc_start: 0.8240 (OUTLIER) cc_final: 0.5200 (mmt90) REVERT: C 700 GLU cc_start: 0.7753 (OUTLIER) cc_final: 0.7416 (mp0) REVERT: C 735 GLN cc_start: 0.8682 (OUTLIER) cc_final: 0.8118 (mt0) REVERT: C 831 ARG cc_start: 0.8834 (OUTLIER) cc_final: 0.8393 (ptp-170) REVERT: C 869 ARG cc_start: 0.6521 (OUTLIER) cc_final: 0.5117 (ptt180) REVERT: C 870 ILE cc_start: 0.5893 (OUTLIER) cc_final: 0.4872 (mt) REVERT: C 893 TYR cc_start: 0.4966 (OUTLIER) cc_final: 0.3965 (p90) REVERT: C 944 GLU cc_start: 0.2192 (OUTLIER) cc_final: 0.1817 (tt0) REVERT: C 1036 ARG cc_start: 0.6794 (OUTLIER) cc_final: 0.5204 (tmt170) REVERT: C 1044 ARG cc_start: 0.3076 (OUTLIER) cc_final: 0.2245 (tpp80) REVERT: C 1099 GLU cc_start: 0.8409 (OUTLIER) cc_final: 0.8102 (tp30) REVERT: C 1110 ARG cc_start: 0.9097 (OUTLIER) cc_final: 0.8769 (ptp-110) REVERT: C 1133 HIS cc_start: 0.9341 (OUTLIER) cc_final: 0.8724 (t-170) REVERT: C 1141 ARG cc_start: 0.8810 (OUTLIER) cc_final: 0.8101 (ptm160) REVERT: C 1152 MET cc_start: 0.8704 (OUTLIER) cc_final: 0.8469 (mtm) REVERT: C 1202 LEU cc_start: 0.9343 (OUTLIER) cc_final: 0.8880 (tp) REVERT: C 1204 LEU cc_start: 0.9186 (OUTLIER) cc_final: 0.8929 (mm) REVERT: C 1230 MET cc_start: 0.9077 (OUTLIER) cc_final: 0.8252 (mtt) REVERT: C 1232 ARG cc_start: 0.9121 (OUTLIER) cc_final: 0.8747 (ptt90) REVERT: C 1242 LEU cc_start: 0.9285 (OUTLIER) cc_final: 0.9034 (mp) REVERT: C 1255 TYR cc_start: 0.8855 (OUTLIER) cc_final: 0.7463 (m-80) REVERT: C 1630 CYS cc_start: 0.8414 (OUTLIER) cc_final: 0.8005 (p) REVERT: C 1652 GLU cc_start: 0.9484 (OUTLIER) cc_final: 0.8936 (tm-30) REVERT: C 1653 LEU cc_start: 0.9498 (OUTLIER) cc_final: 0.9019 (mp) REVERT: C 1655 GLU cc_start: 0.8701 (OUTLIER) cc_final: 0.7811 (tm-30) REVERT: C 1656 ARG cc_start: 0.9334 (OUTLIER) cc_final: 0.9015 (mmm-85) REVERT: C 1671 ARG cc_start: 0.8746 (OUTLIER) cc_final: 0.8358 (mtm-85) REVERT: C 1714 LEU cc_start: 0.9436 (OUTLIER) cc_final: 0.8976 (mp) REVERT: C 1727 ARG cc_start: 0.8739 (OUTLIER) cc_final: 0.8216 (tpp80) REVERT: C 1733 GLU cc_start: 0.8620 (OUTLIER) cc_final: 0.7985 (mp0) REVERT: C 1813 ARG cc_start: 0.9238 (OUTLIER) cc_final: 0.8298 (ttp80) REVERT: C 1939 MET cc_start: 0.9108 (mmm) cc_final: 0.8852 (mmm) REVERT: C 1963 GLU cc_start: 0.8427 (OUTLIER) cc_final: 0.8165 (pp20) REVERT: C 1965 TYR cc_start: 0.8102 (OUTLIER) cc_final: 0.7611 (t80) REVERT: C 1973 GLN cc_start: 0.7533 (OUTLIER) cc_final: 0.7136 (tm-30) REVERT: C 2126 ARG cc_start: 0.9497 (OUTLIER) cc_final: 0.9229 (mtp85) REVERT: C 2191 PHE cc_start: 0.9162 (OUTLIER) cc_final: 0.8366 (t80) REVERT: C 2245 GLN cc_start: 0.9513 (OUTLIER) cc_final: 0.8806 (mm-40) REVERT: C 2336 ARG cc_start: 0.8968 (OUTLIER) cc_final: 0.8557 (ttp-110) REVERT: C 2364 PHE cc_start: 0.7701 (OUTLIER) cc_final: 0.6914 (m-80) REVERT: C 2420 HIS cc_start: 0.8312 (OUTLIER) cc_final: 0.7973 (t70) REVERT: C 2458 ARG cc_start: 0.7798 (OUTLIER) cc_final: 0.7473 (tpt90) REVERT: C 2777 TYR cc_start: -0.1439 (OUTLIER) cc_final: -0.1780 (m-80) REVERT: C 2779 GLU cc_start: 0.1977 (OUTLIER) cc_final: 0.0579 (mt-10) REVERT: C 2811 GLU cc_start: 0.2909 (OUTLIER) cc_final: 0.2404 (mm-30) REVERT: C 2874 MET cc_start: 0.3974 (mpp) cc_final: 0.3505 (mpp) REVERT: C 3642 TYR cc_start: 0.7792 (OUTLIER) cc_final: 0.6551 (p90) REVERT: C 3643 ASN cc_start: 0.7527 (OUTLIER) cc_final: 0.7212 (p0) REVERT: C 3647 HIS cc_start: 0.8074 (OUTLIER) cc_final: 0.7493 (p90) REVERT: C 3658 LYS cc_start: 0.6402 (OUTLIER) cc_final: 0.5851 (tppt) REVERT: C 3753 PHE cc_start: 0.8011 (OUTLIER) cc_final: 0.7653 (t80) REVERT: C 3805 LEU cc_start: 0.9594 (OUTLIER) cc_final: 0.9259 (pp) REVERT: C 3835 LEU cc_start: 0.9488 (OUTLIER) cc_final: 0.9151 (tt) REVERT: C 3886 ARG cc_start: 0.9262 (OUTLIER) cc_final: 0.8282 (tpt90) REVERT: C 3980 LEU cc_start: 0.9724 (OUTLIER) cc_final: 0.9524 (tt) REVERT: C 4054 ASN cc_start: 0.9042 (OUTLIER) cc_final: 0.8449 (m-40) REVERT: C 4066 LEU cc_start: 0.9455 (OUTLIER) cc_final: 0.9174 (mp) REVERT: C 4078 GLN cc_start: 0.9444 (OUTLIER) cc_final: 0.8650 (tm-30) REVERT: C 4097 MET cc_start: 0.8971 (OUTLIER) cc_final: 0.8511 (mpp) REVERT: C 4102 GLN cc_start: 0.8860 (OUTLIER) cc_final: 0.8461 (pt0) REVERT: C 4108 ILE cc_start: 0.9251 (OUTLIER) cc_final: 0.9013 (mm) REVERT: C 4125 PHE cc_start: 0.9138 (OUTLIER) cc_final: 0.8829 (p90) REVERT: C 4132 PHE cc_start: 0.8662 (OUTLIER) cc_final: 0.8204 (m-10) REVERT: C 4142 ASN cc_start: 0.9557 (OUTLIER) cc_final: 0.8967 (t0) REVERT: C 4205 TRP cc_start: 0.9594 (OUTLIER) cc_final: 0.9257 (t-100) REVERT: C 4562 LEU cc_start: 0.9195 (OUTLIER) cc_final: 0.8926 (tt) REVERT: C 4580 TYR cc_start: 0.9444 (OUTLIER) cc_final: 0.8081 (m-80) REVERT: C 4736 ARG cc_start: 0.9202 (OUTLIER) cc_final: 0.8500 (mtp85) REVERT: C 4770 SER cc_start: 0.7323 (OUTLIER) cc_final: 0.6972 (p) REVERT: C 4839 MET cc_start: 0.8796 (mmm) cc_final: 0.8569 (mmm) REVERT: C 4884 LEU cc_start: 0.8971 (OUTLIER) cc_final: 0.8741 (tt) REVERT: C 4892 ARG cc_start: 0.9215 (OUTLIER) cc_final: 0.7287 (ttp80) REVERT: C 4913 ARG cc_start: 0.8978 (OUTLIER) cc_final: 0.8019 (tpt90) REVERT: C 4953 ASP cc_start: 0.9001 (OUTLIER) cc_final: 0.8675 (t0) REVERT: C 5020 ASP cc_start: 0.9404 (OUTLIER) cc_final: 0.9132 (m-30) REVERT: D 69 LEU cc_start: 0.8946 (OUTLIER) cc_final: 0.8684 (pt) REVERT: D 150 MET cc_start: 0.8919 (OUTLIER) cc_final: 0.7474 (mpt) REVERT: D 159 GLU cc_start: 0.8827 (OUTLIER) cc_final: 0.8470 (tm-30) REVERT: D 177 GLU cc_start: 0.9323 (OUTLIER) cc_final: 0.8855 (mp0) REVERT: D 210 GLU cc_start: 0.8099 (OUTLIER) cc_final: 0.7739 (pm20) REVERT: D 229 GLU cc_start: 0.7702 (OUTLIER) cc_final: 0.7346 (tt0) REVERT: D 243 ARG cc_start: 0.8582 (OUTLIER) cc_final: 0.7253 (mmm160) REVERT: D 261 ARG cc_start: 0.7589 (OUTLIER) cc_final: 0.7331 (ttt180) REVERT: D 276 TRP cc_start: 0.7345 (OUTLIER) cc_final: 0.6846 (m100) REVERT: D 419 ASP cc_start: 0.8608 (OUTLIER) cc_final: 0.8209 (m-30) REVERT: D 553 ARG cc_start: 0.8510 (OUTLIER) cc_final: 0.7801 (tmt-80) REVERT: D 581 ASN cc_start: 0.8006 (OUTLIER) cc_final: 0.7739 (p0) REVERT: D 629 ARG cc_start: 0.8875 (OUTLIER) cc_final: 0.8563 (mtp85) REVERT: D 659 TYR cc_start: 0.5772 (OUTLIER) cc_final: 0.4887 (m-80) REVERT: D 662 TRP cc_start: 0.7354 (OUTLIER) cc_final: 0.6936 (m-10) REVERT: D 663 TYR cc_start: 0.6602 (OUTLIER) cc_final: 0.5958 (t80) REVERT: D 683 ARG cc_start: 0.8222 (OUTLIER) cc_final: 0.5206 (mmt90) REVERT: D 700 GLU cc_start: 0.7795 (OUTLIER) cc_final: 0.7449 (mp0) REVERT: D 735 GLN cc_start: 0.8686 (OUTLIER) cc_final: 0.8125 (mt0) REVERT: D 818 ARG cc_start: 0.7129 (OUTLIER) cc_final: 0.6872 (ttt180) REVERT: D 831 ARG cc_start: 0.8821 (OUTLIER) cc_final: 0.8383 (ptp-170) REVERT: D 869 ARG cc_start: 0.6537 (OUTLIER) cc_final: 0.5133 (ptt180) REVERT: D 870 ILE cc_start: 0.5903 (OUTLIER) cc_final: 0.4896 (mt) REVERT: D 893 TYR cc_start: 0.5002 (OUTLIER) cc_final: 0.4210 (p90) REVERT: D 944 GLU cc_start: 0.2297 (OUTLIER) cc_final: 0.1925 (tt0) REVERT: D 1036 ARG cc_start: 0.6859 (OUTLIER) cc_final: 0.5320 (tmt170) REVERT: D 1044 ARG cc_start: 0.3090 (OUTLIER) cc_final: 0.2265 (tpp80) REVERT: D 1110 ARG cc_start: 0.9144 (OUTLIER) cc_final: 0.8832 (ptp-110) REVERT: D 1133 HIS cc_start: 0.9331 (OUTLIER) cc_final: 0.8720 (t-170) REVERT: D 1141 ARG cc_start: 0.8809 (OUTLIER) cc_final: 0.8100 (ptm160) REVERT: D 1152 MET cc_start: 0.8707 (OUTLIER) cc_final: 0.8486 (mtm) REVERT: D 1202 LEU cc_start: 0.9338 (OUTLIER) cc_final: 0.8866 (tp) REVERT: D 1204 LEU cc_start: 0.9191 (OUTLIER) cc_final: 0.8942 (mm) REVERT: D 1232 ARG cc_start: 0.9113 (OUTLIER) cc_final: 0.8737 (ptt90) REVERT: D 1240 LYS cc_start: 0.9163 (OUTLIER) cc_final: 0.8954 (mtpt) REVERT: D 1242 LEU cc_start: 0.9310 (OUTLIER) cc_final: 0.9037 (mp) REVERT: D 1255 TYR cc_start: 0.8864 (OUTLIER) cc_final: 0.7476 (m-80) REVERT: D 1630 CYS cc_start: 0.8397 (OUTLIER) cc_final: 0.8021 (p) REVERT: D 1652 GLU cc_start: 0.9499 (OUTLIER) cc_final: 0.9096 (tm-30) REVERT: D 1655 GLU cc_start: 0.8898 (OUTLIER) cc_final: 0.7918 (tm-30) REVERT: D 1657 LEU cc_start: 0.9749 (OUTLIER) cc_final: 0.9422 (mm) REVERT: D 1671 ARG cc_start: 0.8753 (OUTLIER) cc_final: 0.8345 (mtm-85) REVERT: D 1714 LEU cc_start: 0.9433 (OUTLIER) cc_final: 0.8974 (mp) REVERT: D 1727 ARG cc_start: 0.8729 (OUTLIER) cc_final: 0.8221 (tpp80) REVERT: D 1733 GLU cc_start: 0.8607 (OUTLIER) cc_final: 0.7990 (mp0) REVERT: D 1813 ARG cc_start: 0.9221 (OUTLIER) cc_final: 0.8283 (ttp80) REVERT: D 1939 MET cc_start: 0.9080 (mmm) cc_final: 0.8813 (tpp) REVERT: D 1963 GLU cc_start: 0.8436 (OUTLIER) cc_final: 0.8125 (pp20) REVERT: D 1965 TYR cc_start: 0.8075 (OUTLIER) cc_final: 0.7578 (t80) REVERT: D 1973 GLN cc_start: 0.7535 (OUTLIER) cc_final: 0.7142 (tm-30) REVERT: D 2028 ARG cc_start: 0.8818 (OUTLIER) cc_final: 0.8572 (ptt180) REVERT: D 2126 ARG cc_start: 0.9493 (OUTLIER) cc_final: 0.9225 (mtp85) REVERT: D 2191 PHE cc_start: 0.9155 (OUTLIER) cc_final: 0.8371 (t80) REVERT: D 2245 GLN cc_start: 0.9521 (OUTLIER) cc_final: 0.8814 (mm-40) REVERT: D 2336 ARG cc_start: 0.8970 (OUTLIER) cc_final: 0.8565 (ttp-110) REVERT: D 2364 PHE cc_start: 0.7658 (OUTLIER) cc_final: 0.6887 (m-80) REVERT: D 2420 HIS cc_start: 0.8294 (OUTLIER) cc_final: 0.7981 (t70) REVERT: D 2458 ARG cc_start: 0.7814 (OUTLIER) cc_final: 0.7493 (tpt90) REVERT: D 2777 TYR cc_start: -0.1560 (OUTLIER) cc_final: -0.1904 (m-80) REVERT: D 2779 GLU cc_start: 0.1992 (OUTLIER) cc_final: 0.0588 (mt-10) REVERT: D 2886 TRP cc_start: 0.7640 (m-10) cc_final: 0.7416 (m100) REVERT: D 2908 TYR cc_start: 0.6106 (OUTLIER) cc_final: 0.5717 (t80) REVERT: D 3642 TYR cc_start: 0.7781 (OUTLIER) cc_final: 0.6584 (p90) REVERT: D 3643 ASN cc_start: 0.7540 (OUTLIER) cc_final: 0.7219 (p0) REVERT: D 3647 HIS cc_start: 0.8087 (OUTLIER) cc_final: 0.7484 (p90) REVERT: D 3669 PHE cc_start: 0.8866 (OUTLIER) cc_final: 0.8314 (p90) REVERT: D 3677 LEU cc_start: 0.9283 (OUTLIER) cc_final: 0.9026 (tt) REVERT: D 3712 GLU cc_start: 0.8945 (OUTLIER) cc_final: 0.8634 (pm20) REVERT: D 3753 PHE cc_start: 0.7979 (OUTLIER) cc_final: 0.7605 (t80) REVERT: D 3805 LEU cc_start: 0.9472 (OUTLIER) cc_final: 0.9169 (pp) REVERT: D 3835 LEU cc_start: 0.9486 (OUTLIER) cc_final: 0.9156 (tt) REVERT: D 3886 ARG cc_start: 0.9273 (OUTLIER) cc_final: 0.8278 (tpt90) REVERT: D 4054 ASN cc_start: 0.9061 (OUTLIER) cc_final: 0.8450 (m-40) REVERT: D 4066 LEU cc_start: 0.9464 (OUTLIER) cc_final: 0.9175 (mp) REVERT: D 4078 GLN cc_start: 0.9448 (OUTLIER) cc_final: 0.8641 (tm-30) REVERT: D 4097 MET cc_start: 0.8967 (OUTLIER) cc_final: 0.8556 (mpp) REVERT: D 4102 GLN cc_start: 0.8850 (OUTLIER) cc_final: 0.8444 (pt0) REVERT: D 4108 ILE cc_start: 0.9249 (OUTLIER) cc_final: 0.9008 (mm) REVERT: D 4125 PHE cc_start: 0.9145 (OUTLIER) cc_final: 0.8836 (p90) REVERT: D 4132 PHE cc_start: 0.8651 (OUTLIER) cc_final: 0.8188 (m-10) REVERT: D 4142 ASN cc_start: 0.9556 (OUTLIER) cc_final: 0.8966 (t0) REVERT: D 4205 TRP cc_start: 0.9576 (OUTLIER) cc_final: 0.9184 (t-100) REVERT: D 4562 LEU cc_start: 0.9188 (OUTLIER) cc_final: 0.8890 (tt) REVERT: D 4563 ARG cc_start: 0.8968 (OUTLIER) cc_final: 0.8267 (tpt90) REVERT: D 4580 TYR cc_start: 0.9458 (OUTLIER) cc_final: 0.8239 (m-80) REVERT: D 4698 LYS cc_start: 0.7917 (OUTLIER) cc_final: 0.7715 (mmtt) REVERT: D 4736 ARG cc_start: 0.9173 (OUTLIER) cc_final: 0.8457 (mtp85) REVERT: D 4770 SER cc_start: 0.7323 (OUTLIER) cc_final: 0.6973 (p) REVERT: D 4796 MET cc_start: 0.9005 (OUTLIER) cc_final: 0.8499 (tmm) REVERT: D 4839 MET cc_start: 0.8825 (mmm) cc_final: 0.8601 (mmm) REVERT: D 4953 ASP cc_start: 0.8971 (OUTLIER) cc_final: 0.8599 (t0) REVERT: D 4957 LYS cc_start: 0.9025 (OUTLIER) cc_final: 0.8614 (mmtp) REVERT: D 5020 ASP cc_start: 0.9459 (OUTLIER) cc_final: 0.9196 (m-30) REVERT: B 50 GLU cc_start: 0.8648 (OUTLIER) cc_final: 0.8010 (tp30) REVERT: B 159 GLU cc_start: 0.8856 (OUTLIER) cc_final: 0.8483 (tm-30) REVERT: B 229 GLU cc_start: 0.7707 (OUTLIER) cc_final: 0.7349 (tt0) REVERT: B 243 ARG cc_start: 0.8583 (OUTLIER) cc_final: 0.7334 (mmm160) REVERT: B 248 GLU cc_start: 0.6971 (OUTLIER) cc_final: 0.6741 (mp0) REVERT: B 276 TRP cc_start: 0.7353 (OUTLIER) cc_final: 0.6963 (m100) REVERT: B 283 ARG cc_start: 0.8058 (OUTLIER) cc_final: 0.7268 (ttm170) REVERT: B 320 LYS cc_start: 0.4525 (OUTLIER) cc_final: 0.4320 (mmmt) REVERT: B 403 MET cc_start: 0.8873 (mtp) cc_final: 0.8620 (mtp) REVERT: B 419 ASP cc_start: 0.8575 (OUTLIER) cc_final: 0.8188 (m-30) REVERT: B 581 ASN cc_start: 0.7992 (OUTLIER) cc_final: 0.7721 (p0) REVERT: B 629 ARG cc_start: 0.8906 (OUTLIER) cc_final: 0.8672 (mtp85) REVERT: B 659 TYR cc_start: 0.5767 (OUTLIER) cc_final: 0.4920 (m-80) REVERT: B 662 TRP cc_start: 0.7343 (OUTLIER) cc_final: 0.7059 (m-10) REVERT: B 663 TYR cc_start: 0.6573 (OUTLIER) cc_final: 0.6082 (t80) REVERT: B 683 ARG cc_start: 0.8203 (OUTLIER) cc_final: 0.5162 (mmt90) REVERT: B 700 GLU cc_start: 0.7781 (OUTLIER) cc_final: 0.7434 (mp0) REVERT: B 831 ARG cc_start: 0.8848 (OUTLIER) cc_final: 0.8405 (ptp-170) REVERT: B 869 ARG cc_start: 0.6523 (OUTLIER) cc_final: 0.5373 (ptt-90) REVERT: B 870 ILE cc_start: 0.5869 (OUTLIER) cc_final: 0.4718 (mm) REVERT: B 893 TYR cc_start: 0.4970 (OUTLIER) cc_final: 0.4088 (p90) REVERT: B 944 GLU cc_start: 0.2331 (OUTLIER) cc_final: 0.1931 (tt0) REVERT: B 1036 ARG cc_start: 0.6858 (OUTLIER) cc_final: 0.5319 (tmt170) REVERT: B 1044 ARG cc_start: 0.3087 (OUTLIER) cc_final: 0.2254 (tpp80) REVERT: B 1099 GLU cc_start: 0.8429 (OUTLIER) cc_final: 0.8123 (tp30) REVERT: B 1110 ARG cc_start: 0.9128 (OUTLIER) cc_final: 0.8807 (ptp-110) REVERT: B 1133 HIS cc_start: 0.9326 (OUTLIER) cc_final: 0.8711 (t-170) REVERT: B 1141 ARG cc_start: 0.8818 (OUTLIER) cc_final: 0.8072 (ptm160) REVERT: B 1152 MET cc_start: 0.8681 (OUTLIER) cc_final: 0.8453 (mtm) REVERT: B 1202 LEU cc_start: 0.9335 (OUTLIER) cc_final: 0.8909 (tp) REVERT: B 1232 ARG cc_start: 0.9116 (OUTLIER) cc_final: 0.8743 (ptt90) REVERT: B 1242 LEU cc_start: 0.9346 (OUTLIER) cc_final: 0.9110 (mp) REVERT: B 1255 TYR cc_start: 0.8854 (OUTLIER) cc_final: 0.7515 (m-80) REVERT: B 1630 CYS cc_start: 0.8479 (OUTLIER) cc_final: 0.8076 (p) REVERT: B 1652 GLU cc_start: 0.9494 (OUTLIER) cc_final: 0.9092 (tm-30) REVERT: B 1655 GLU cc_start: 0.8897 (OUTLIER) cc_final: 0.7906 (tm-30) REVERT: B 1657 LEU cc_start: 0.9750 (OUTLIER) cc_final: 0.9409 (mm) REVERT: B 1671 ARG cc_start: 0.8743 (OUTLIER) cc_final: 0.8328 (mtm-85) REVERT: B 1714 LEU cc_start: 0.9413 (OUTLIER) cc_final: 0.8983 (mp) REVERT: B 1733 GLU cc_start: 0.8552 (OUTLIER) cc_final: 0.7952 (mp0) REVERT: B 1771 LEU cc_start: 0.9255 (OUTLIER) cc_final: 0.8864 (mp) REVERT: B 1813 ARG cc_start: 0.9232 (OUTLIER) cc_final: 0.8226 (ttp80) REVERT: B 1939 MET cc_start: 0.9114 (mmm) cc_final: 0.8860 (mmm) REVERT: B 1963 GLU cc_start: 0.8416 (OUTLIER) cc_final: 0.8120 (pp20) REVERT: B 1973 GLN cc_start: 0.7535 (OUTLIER) cc_final: 0.7137 (tm-30) REVERT: B 2028 ARG cc_start: 0.8820 (OUTLIER) cc_final: 0.8589 (ptt180) REVERT: B 2126 ARG cc_start: 0.9491 (OUTLIER) cc_final: 0.9217 (mtp85) REVERT: B 2191 PHE cc_start: 0.9154 (OUTLIER) cc_final: 0.8361 (t80) REVERT: B 2245 GLN cc_start: 0.9507 (OUTLIER) cc_final: 0.8803 (mm-40) REVERT: B 2292 GLU cc_start: 0.7292 (OUTLIER) cc_final: 0.6759 (pp20) REVERT: B 2336 ARG cc_start: 0.8949 (OUTLIER) cc_final: 0.8550 (ttp-110) REVERT: B 2364 PHE cc_start: 0.7716 (OUTLIER) cc_final: 0.6910 (m-80) REVERT: B 2420 HIS cc_start: 0.8297 (OUTLIER) cc_final: 0.7983 (t70) REVERT: B 2458 ARG cc_start: 0.7800 (OUTLIER) cc_final: 0.7466 (tpt90) REVERT: B 2751 LEU cc_start: 0.6109 (OUTLIER) cc_final: 0.5832 (tt) REVERT: B 2777 TYR cc_start: -0.1584 (OUTLIER) cc_final: -0.1945 (m-80) REVERT: B 2779 GLU cc_start: 0.1994 (OUTLIER) cc_final: 0.0590 (mt-10) REVERT: B 2811 GLU cc_start: 0.3138 (OUTLIER) cc_final: 0.2738 (mm-30) REVERT: B 2939 ARG cc_start: 0.4967 (mtt180) cc_final: 0.4615 (mtt180) REVERT: B 3642 TYR cc_start: 0.7744 (OUTLIER) cc_final: 0.6529 (p90) REVERT: B 3643 ASN cc_start: 0.7537 (OUTLIER) cc_final: 0.7226 (p0) REVERT: B 3647 HIS cc_start: 0.8071 (OUTLIER) cc_final: 0.7483 (p90) REVERT: B 3669 PHE cc_start: 0.8854 (OUTLIER) cc_final: 0.8220 (p90) REVERT: B 3673 MET cc_start: 0.8807 (OUTLIER) cc_final: 0.8303 (ttt) REVERT: B 3712 GLU cc_start: 0.8944 (OUTLIER) cc_final: 0.8597 (pm20) REVERT: B 3753 PHE cc_start: 0.7981 (OUTLIER) cc_final: 0.7605 (t80) REVERT: B 3805 LEU cc_start: 0.9480 (OUTLIER) cc_final: 0.9172 (pp) REVERT: B 3835 LEU cc_start: 0.9491 (OUTLIER) cc_final: 0.9163 (tt) REVERT: B 3886 ARG cc_start: 0.9270 (OUTLIER) cc_final: 0.8284 (tpt90) REVERT: B 4054 ASN cc_start: 0.9067 (OUTLIER) cc_final: 0.8465 (m-40) REVERT: B 4066 LEU cc_start: 0.9467 (OUTLIER) cc_final: 0.9180 (mp) REVERT: B 4078 GLN cc_start: 0.9453 (OUTLIER) cc_final: 0.8649 (tm-30) REVERT: B 4097 MET cc_start: 0.8977 (OUTLIER) cc_final: 0.8511 (mpp) REVERT: B 4102 GLN cc_start: 0.8853 (OUTLIER) cc_final: 0.8446 (pt0) REVERT: B 4108 ILE cc_start: 0.9233 (OUTLIER) cc_final: 0.8987 (mm) REVERT: B 4125 PHE cc_start: 0.9164 (OUTLIER) cc_final: 0.8856 (p90) REVERT: B 4132 PHE cc_start: 0.8645 (OUTLIER) cc_final: 0.8190 (m-10) REVERT: B 4142 ASN cc_start: 0.9559 (OUTLIER) cc_final: 0.8948 (t0) REVERT: B 4205 TRP cc_start: 0.9589 (OUTLIER) cc_final: 0.9251 (t-100) REVERT: B 4562 LEU cc_start: 0.9189 (OUTLIER) cc_final: 0.8891 (tt) REVERT: B 4563 ARG cc_start: 0.8967 (OUTLIER) cc_final: 0.8264 (tpt90) REVERT: B 4580 TYR cc_start: 0.9450 (OUTLIER) cc_final: 0.8201 (m-80) REVERT: B 4634 GLU cc_start: 0.7219 (OUTLIER) cc_final: 0.6831 (tt0) REVERT: B 4736 ARG cc_start: 0.9178 (OUTLIER) cc_final: 0.8462 (mtp85) REVERT: B 4770 SER cc_start: 0.7329 (OUTLIER) cc_final: 0.6978 (p) REVERT: B 4839 MET cc_start: 0.8803 (mmm) cc_final: 0.8577 (mmm) REVERT: B 4953 ASP cc_start: 0.8955 (OUTLIER) cc_final: 0.8604 (t0) REVERT: B 5020 ASP cc_start: 0.9439 (OUTLIER) cc_final: 0.9148 (m-30) outliers start: 2808 outliers final: 2104 residues processed: 3208 average time/residue: 0.9327 time to fit residues: 5331.6383 Evaluate side-chains 3007 residues out of total 11248 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2456 poor density : 551 time to evaluate : 8.764 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 13 PHE Chi-restraints excluded: chain A residue 17 ASP Chi-restraints excluded: chain A residue 20 VAL Chi-restraints excluded: chain A residue 21 VAL Chi-restraints excluded: chain A residue 24 CYS Chi-restraints excluded: chain A residue 28 VAL Chi-restraints excluded: chain A residue 37 LEU Chi-restraints excluded: chain A residue 49 LEU Chi-restraints excluded: chain A residue 50 GLU Chi-restraints excluded: chain A residue 57 ASN Chi-restraints excluded: chain A residue 58 VAL Chi-restraints excluded: chain A residue 64 ILE Chi-restraints excluded: chain A residue 68 THR Chi-restraints excluded: chain A residue 69 LEU Chi-restraints excluded: chain A residue 74 SER Chi-restraints excluded: chain A residue 75 VAL Chi-restraints excluded: chain A residue 80 GLU Chi-restraints excluded: chain A residue 81 MET Chi-restraints excluded: chain A residue 82 LEU Chi-restraints excluded: chain A residue 107 ILE Chi-restraints excluded: chain A residue 109 LEU Chi-restraints excluded: chain A residue 111 HIS Chi-restraints excluded: chain A residue 114 SER Chi-restraints excluded: chain A residue 115 ARG Chi-restraints excluded: chain A residue 119 SER Chi-restraints excluded: chain A residue 124 SER Chi-restraints excluded: chain A residue 131 LEU Chi-restraints excluded: chain A residue 138 GLN Chi-restraints excluded: chain A residue 144 GLU Chi-restraints excluded: chain A residue 149 THR Chi-restraints excluded: chain A residue 150 MET Chi-restraints excluded: chain A residue 151 HIS Chi-restraints excluded: chain A residue 154 SER Chi-restraints excluded: chain A residue 159 GLU Chi-restraints excluded: chain A residue 161 GLU Chi-restraints excluded: chain A residue 162 LYS Chi-restraints excluded: chain A residue 164 ARG Chi-restraints excluded: chain A residue 165 VAL Chi-restraints excluded: chain A residue 167 ASP Chi-restraints excluded: chain A residue 170 ILE Chi-restraints excluded: chain A residue 173 SER Chi-restraints excluded: chain A residue 174 VAL Chi-restraints excluded: chain A residue 192 ASP Chi-restraints excluded: chain A residue 194 SER Chi-restraints excluded: chain A residue 206 CYS Chi-restraints excluded: chain A residue 211 GLU Chi-restraints excluded: chain A residue 215 THR Chi-restraints excluded: chain A residue 219 VAL Chi-restraints excluded: chain A residue 222 LEU Chi-restraints excluded: chain A residue 226 HIS Chi-restraints excluded: chain A residue 229 GLU Chi-restraints excluded: chain A residue 232 THR Chi-restraints excluded: chain A residue 240 ASP Chi-restraints excluded: chain A residue 243 ARG Chi-restraints excluded: chain A residue 258 SER Chi-restraints excluded: chain A residue 260 TRP Chi-restraints excluded: chain A residue 262 LEU Chi-restraints excluded: chain A residue 267 ILE Chi-restraints excluded: chain A residue 276 TRP Chi-restraints excluded: chain A residue 278 GLN Chi-restraints excluded: chain A residue 281 ARG Chi-restraints excluded: chain A residue 283 ARG Chi-restraints excluded: chain A residue 285 VAL Chi-restraints excluded: chain A residue 286 THR Chi-restraints excluded: chain A residue 287 THR Chi-restraints excluded: chain A residue 299 LEU Chi-restraints excluded: chain A residue 300 VAL Chi-restraints excluded: chain A residue 302 VAL Chi-restraints excluded: chain A residue 303 ASP Chi-restraints excluded: chain A residue 312 THR Chi-restraints excluded: chain A residue 313 SER Chi-restraints excluded: chain A residue 318 VAL Chi-restraints excluded: chain A residue 343 GLU Chi-restraints excluded: chain A residue 345 LEU Chi-restraints excluded: chain A residue 348 VAL Chi-restraints excluded: chain A residue 357 LEU Chi-restraints excluded: chain A residue 358 THR Chi-restraints excluded: chain A residue 359 TYR Chi-restraints excluded: chain A residue 373 LYS Chi-restraints excluded: chain A residue 381 GLU Chi-restraints excluded: chain A residue 384 MET Chi-restraints excluded: chain A residue 389 PHE Chi-restraints excluded: chain A residue 390 LEU Chi-restraints excluded: chain A residue 396 GLU Chi-restraints excluded: chain A residue 419 ASP Chi-restraints excluded: chain A residue 422 SER Chi-restraints excluded: chain A residue 424 LYS Chi-restraints excluded: chain A residue 436 LEU Chi-restraints excluded: chain A residue 444 SER Chi-restraints excluded: chain A residue 453 GLU Chi-restraints excluded: chain A residue 455 PRO Chi-restraints excluded: chain A residue 456 SER Chi-restraints excluded: chain A residue 457 GLU Chi-restraints excluded: chain A residue 459 LEU Chi-restraints excluded: chain A residue 469 ARG Chi-restraints excluded: chain A residue 470 SER Chi-restraints excluded: chain A residue 472 ARG Chi-restraints excluded: chain A residue 477 LEU Chi-restraints excluded: chain A residue 478 PHE Chi-restraints excluded: chain A residue 483 MET Chi-restraints excluded: chain A residue 487 VAL Chi-restraints excluded: chain A residue 488 LEU Chi-restraints excluded: chain A residue 494 LEU Chi-restraints excluded: chain A residue 497 TYR Chi-restraints excluded: chain A residue 498 THR Chi-restraints excluded: chain A residue 499 THR Chi-restraints excluded: chain A residue 503 PHE Chi-restraints excluded: chain A residue 510 GLU Chi-restraints excluded: chain A residue 514 SER Chi-restraints excluded: chain A residue 517 GLU Chi-restraints excluded: chain A residue 520 ASN Chi-restraints excluded: chain A residue 521 LEU Chi-restraints excluded: chain A residue 524 GLU Chi-restraints excluded: chain A residue 526 LEU Chi-restraints excluded: chain A residue 534 ARG Chi-restraints excluded: chain A residue 537 CYS Chi-restraints excluded: chain A residue 542 THR Chi-restraints excluded: chain A residue 549 SER Chi-restraints excluded: chain A residue 554 LEU Chi-restraints excluded: chain A residue 557 SER Chi-restraints excluded: chain A residue 566 CYS Chi-restraints excluded: chain A residue 570 GLU Chi-restraints excluded: chain A residue 573 GLU Chi-restraints excluded: chain A residue 578 ILE Chi-restraints excluded: chain A residue 581 ASN Chi-restraints excluded: chain A residue 587 ILE Chi-restraints excluded: chain A residue 600 LEU Chi-restraints excluded: chain A residue 608 VAL Chi-restraints excluded: chain A residue 612 VAL Chi-restraints excluded: chain A residue 614 VAL Chi-restraints excluded: chain A residue 616 SER Chi-restraints excluded: chain A residue 622 THR Chi-restraints excluded: chain A residue 626 LEU Chi-restraints excluded: chain A residue 634 GLN Chi-restraints excluded: chain A residue 637 LEU Chi-restraints excluded: chain A residue 641 VAL Chi-restraints excluded: chain A residue 643 SER Chi-restraints excluded: chain A residue 648 ILE Chi-restraints excluded: chain A residue 650 VAL Chi-restraints excluded: chain A residue 652 ARG Chi-restraints excluded: chain A residue 659 TYR Chi-restraints excluded: chain A residue 661 LYS Chi-restraints excluded: chain A residue 662 TRP Chi-restraints excluded: chain A residue 663 TYR Chi-restraints excluded: chain A residue 668 VAL Chi-restraints excluded: chain A residue 669 ASP 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 692 TYR Chi-restraints excluded: chain A residue 700 GLU Chi-restraints excluded: chain A residue 707 VAL Chi-restraints excluded: chain A residue 710 ASP Chi-restraints excluded: chain A residue 716 PHE Chi-restraints excluded: chain A residue 719 LEU Chi-restraints excluded: chain A residue 720 HIS Chi-restraints excluded: chain A residue 723 THR Chi-restraints excluded: chain A residue 726 VAL Chi-restraints excluded: chain A residue 730 VAL Chi-restraints excluded: chain A residue 735 GLN Chi-restraints excluded: chain A residue 737 LEU Chi-restraints excluded: chain A residue 744 VAL Chi-restraints excluded: chain A residue 752 VAL Chi-restraints excluded: chain A residue 754 SER Chi-restraints excluded: chain A residue 758 ARG Chi-restraints excluded: chain A residue 776 LEU Chi-restraints excluded: chain A residue 780 VAL Chi-restraints excluded: chain A residue 784 SER Chi-restraints excluded: chain A residue 788 LYS Chi-restraints excluded: chain A residue 790 ARG Chi-restraints excluded: chain A residue 791 PHE Chi-restraints excluded: chain A residue 793 LEU Chi-restraints excluded: chain A residue 800 PHE Chi-restraints excluded: chain A residue 803 LEU Chi-restraints excluded: chain A residue 811 CYS Chi-restraints excluded: chain A residue 812 HIS Chi-restraints excluded: chain A residue 818 ARG Chi-restraints excluded: chain A residue 831 ARG Chi-restraints excluded: chain A residue 835 ARG Chi-restraints excluded: chain A residue 840 VAL Chi-restraints excluded: chain A residue 850 ASP Chi-restraints excluded: chain A residue 867 LEU Chi-restraints excluded: chain A residue 868 GLU Chi-restraints excluded: chain A residue 869 ARG Chi-restraints excluded: chain A residue 870 ILE Chi-restraints excluded: chain A residue 884 LEU Chi-restraints excluded: chain A residue 887 ILE Chi-restraints excluded: chain A residue 891 TRP Chi-restraints excluded: chain A residue 893 TYR Chi-restraints excluded: chain A residue 907 LEU Chi-restraints excluded: chain A residue 913 LEU Chi-restraints excluded: chain A residue 944 GLU Chi-restraints excluded: chain A residue 974 HIS Chi-restraints excluded: chain A residue 978 THR Chi-restraints excluded: chain A residue 1034 SER Chi-restraints excluded: chain A residue 1036 ARG Chi-restraints excluded: chain A residue 1037 ASP Chi-restraints excluded: chain A residue 1044 ARG Chi-restraints excluded: chain A residue 1046 LEU Chi-restraints excluded: chain A residue 1076 ARG Chi-restraints excluded: chain A residue 1079 LYS Chi-restraints excluded: chain A residue 1080 SER Chi-restraints excluded: chain A residue 1082 THR Chi-restraints excluded: chain A residue 1083 VAL Chi-restraints excluded: chain A residue 1099 GLU Chi-restraints excluded: chain A residue 1102 VAL Chi-restraints excluded: chain A residue 1110 ARG Chi-restraints excluded: chain A residue 1112 ASP Chi-restraints excluded: chain A residue 1113 VAL Chi-restraints excluded: chain A residue 1120 LEU Chi-restraints excluded: chain A residue 1123 VAL Chi-restraints excluded: chain A residue 1133 HIS Chi-restraints excluded: chain A residue 1134 LEU Chi-restraints excluded: chain A residue 1139 PHE Chi-restraints excluded: chain A residue 1141 ARG Chi-restraints excluded: chain A residue 1148 VAL Chi-restraints excluded: chain A residue 1149 VAL Chi-restraints excluded: chain A residue 1152 MET Chi-restraints excluded: chain A residue 1153 ILE Chi-restraints excluded: chain A residue 1154 ASP Chi-restraints excluded: chain A residue 1159 THR Chi-restraints excluded: chain A residue 1179 PHE Chi-restraints excluded: chain A residue 1184 ILE Chi-restraints excluded: chain A residue 1191 VAL Chi-restraints excluded: chain A residue 1193 SER Chi-restraints excluded: chain A residue 1198 GLN Chi-restraints excluded: chain A residue 1201 HIS 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 1210 SER Chi-restraints excluded: chain A residue 1214 PHE Chi-restraints excluded: chain A residue 1230 MET Chi-restraints excluded: chain A residue 1232 ARG Chi-restraints excluded: chain A residue 1234 VAL Chi-restraints excluded: chain A residue 1238 PHE Chi-restraints excluded: chain A residue 1239 SER Chi-restraints excluded: chain A residue 1241 SER Chi-restraints excluded: chain A residue 1242 LEU Chi-restraints excluded: chain A residue 1255 TYR Chi-restraints excluded: chain A residue 1260 MET Chi-restraints excluded: chain A residue 1266 THR 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 1608 MET Chi-restraints excluded: chain A residue 1612 PHE Chi-restraints excluded: chain A residue 1635 THR Chi-restraints excluded: chain A residue 1637 MET Chi-restraints excluded: chain A residue 1639 LEU Chi-restraints excluded: chain A residue 1647 CYS Chi-restraints excluded: chain A residue 1648 MET Chi-restraints excluded: chain A residue 1652 GLU Chi-restraints excluded: chain A residue 1653 LEU Chi-restraints excluded: chain A residue 1655 GLU Chi-restraints excluded: chain A residue 1656 ARG Chi-restraints excluded: chain A residue 1664 SER Chi-restraints excluded: chain A residue 1666 THR Chi-restraints excluded: chain A residue 1681 VAL Chi-restraints excluded: chain A residue 1687 SER Chi-restraints excluded: chain A residue 1693 GLN Chi-restraints excluded: chain A residue 1695 LEU Chi-restraints excluded: chain A residue 1700 ASP Chi-restraints excluded: chain A residue 1702 HIS Chi-restraints excluded: chain A residue 1706 PRO Chi-restraints excluded: chain A residue 1714 LEU Chi-restraints excluded: chain A residue 1716 ILE Chi-restraints excluded: chain A residue 1717 SER Chi-restraints excluded: chain A residue 1720 LEU Chi-restraints excluded: chain A residue 1721 GLU Chi-restraints excluded: chain A residue 1724 CYS Chi-restraints excluded: chain A residue 1727 ARG Chi-restraints excluded: chain A residue 1730 MET Chi-restraints excluded: chain A residue 1731 LEU Chi-restraints excluded: chain A residue 1733 GLU Chi-restraints excluded: chain A residue 1736 VAL Chi-restraints excluded: chain A residue 1739 THR Chi-restraints excluded: chain A residue 1742 THR Chi-restraints excluded: chain A residue 1745 ILE Chi-restraints excluded: chain A residue 1769 THR Chi-restraints excluded: chain A residue 1770 SER Chi-restraints excluded: chain A residue 1797 ARG Chi-restraints excluded: chain A residue 1798 LEU Chi-restraints excluded: chain A residue 1802 ILE Chi-restraints excluded: chain A residue 1817 GLU Chi-restraints excluded: chain A residue 1830 VAL Chi-restraints excluded: chain A residue 1833 SER Chi-restraints excluded: chain A residue 1834 VAL Chi-restraints excluded: chain A residue 1845 VAL Chi-restraints excluded: chain A residue 1847 THR Chi-restraints excluded: chain A residue 1850 VAL Chi-restraints excluded: chain A residue 1865 MET Chi-restraints excluded: chain A residue 1935 VAL Chi-restraints excluded: chain A residue 1947 CYS Chi-restraints excluded: chain A residue 1950 GLU Chi-restraints excluded: chain A residue 1953 HIS Chi-restraints excluded: chain A residue 1955 VAL Chi-restraints excluded: chain A residue 1963 GLU Chi-restraints excluded: chain A residue 1965 TYR Chi-restraints excluded: chain A residue 1969 LEU Chi-restraints excluded: chain A residue 1973 GLN Chi-restraints excluded: chain A residue 1980 LEU Chi-restraints excluded: chain A residue 2006 ILE Chi-restraints excluded: chain A residue 2010 LEU Chi-restraints excluded: chain A residue 2011 HIS Chi-restraints excluded: chain A residue 2027 ILE Chi-restraints excluded: chain A residue 2028 ARG Chi-restraints excluded: chain A residue 2031 LEU Chi-restraints excluded: chain A residue 2039 LEU Chi-restraints excluded: chain A residue 2041 HIS Chi-restraints excluded: chain A residue 2097 LEU Chi-restraints excluded: chain A residue 2098 VAL Chi-restraints excluded: chain A residue 2103 VAL Chi-restraints excluded: chain A residue 2117 VAL Chi-restraints excluded: chain A residue 2122 SER Chi-restraints excluded: chain A residue 2125 HIS Chi-restraints excluded: chain A residue 2126 ARG Chi-restraints excluded: chain A residue 2128 TYR Chi-restraints excluded: chain A residue 2140 ARG Chi-restraints excluded: chain A residue 2148 SER Chi-restraints excluded: chain A residue 2152 THR Chi-restraints excluded: chain A residue 2164 SER Chi-restraints excluded: chain A residue 2166 LEU Chi-restraints excluded: chain A residue 2167 ILE Chi-restraints excluded: chain A residue 2170 MET Chi-restraints excluded: chain A residue 2172 PRO Chi-restraints excluded: chain A residue 2187 ASN Chi-restraints excluded: chain A residue 2191 PHE Chi-restraints excluded: chain A residue 2192 TYR Chi-restraints excluded: chain A residue 2194 HIS Chi-restraints excluded: chain A residue 2198 MET Chi-restraints excluded: chain A residue 2203 MET Chi-restraints excluded: chain A residue 2210 VAL Chi-restraints excluded: chain A residue 2215 LEU Chi-restraints excluded: chain A residue 2223 ILE Chi-restraints excluded: chain A residue 2240 CYS Chi-restraints excluded: chain A residue 2245 GLN Chi-restraints excluded: chain A residue 2246 ASN Chi-restraints excluded: chain A residue 2249 SER Chi-restraints excluded: chain A residue 2253 HIS Chi-restraints excluded: chain A residue 2273 LEU Chi-restraints excluded: chain A residue 2274 ASP Chi-restraints excluded: chain A residue 2275 VAL Chi-restraints excluded: chain A residue 2279 SER Chi-restraints excluded: chain A residue 2281 ILE Chi-restraints excluded: chain A residue 2286 LEU Chi-restraints excluded: chain A residue 2290 LEU Chi-restraints excluded: chain A residue 2291 GLN Chi-restraints excluded: chain A residue 2292 GLU Chi-restraints excluded: chain A residue 2299 VAL Chi-restraints excluded: chain A residue 2300 SER Chi-restraints excluded: chain A residue 2301 TYR Chi-restraints excluded: chain A residue 2302 LEU Chi-restraints excluded: chain A residue 2336 ARG Chi-restraints excluded: chain A residue 2339 VAL Chi-restraints excluded: chain A residue 2341 VAL Chi-restraints excluded: chain A residue 2364 PHE Chi-restraints excluded: chain A residue 2418 LEU Chi-restraints excluded: chain A residue 2420 HIS Chi-restraints excluded: chain A residue 2438 PRO Chi-restraints excluded: chain A residue 2442 LEU Chi-restraints excluded: chain A residue 2443 ILE Chi-restraints excluded: chain A residue 2451 LEU Chi-restraints excluded: chain A residue 2456 ILE Chi-restraints excluded: chain A residue 2457 LEU Chi-restraints excluded: chain A residue 2458 ARG Chi-restraints excluded: chain A residue 2460 LEU Chi-restraints excluded: chain A residue 2470 ILE Chi-restraints excluded: chain A residue 2472 LEU Chi-restraints excluded: chain A residue 2741 GLU Chi-restraints excluded: chain A residue 2752 ASP Chi-restraints excluded: chain A residue 2761 TYR Chi-restraints excluded: chain A residue 2762 THR Chi-restraints excluded: chain A residue 2777 TYR Chi-restraints excluded: chain A residue 2779 GLU Chi-restraints excluded: chain A residue 2799 GLU Chi-restraints excluded: chain A residue 2806 ARG Chi-restraints excluded: chain A residue 2807 TRP Chi-restraints excluded: chain A residue 2811 GLU Chi-restraints excluded: chain A residue 2869 ARG Chi-restraints excluded: chain A residue 2872 GLN Chi-restraints excluded: chain A residue 2882 TYR Chi-restraints excluded: chain A residue 2883 HIS Chi-restraints excluded: chain A residue 2889 LYS Chi-restraints excluded: chain A residue 2892 GLN Chi-restraints excluded: chain A residue 2894 LEU Chi-restraints excluded: chain A residue 2895 GLU Chi-restraints excluded: chain A residue 2901 THR Chi-restraints excluded: chain A residue 2904 LEU Chi-restraints excluded: chain A residue 2906 VAL Chi-restraints excluded: chain A residue 2909 ASP Chi-restraints excluded: chain A residue 2912 THR Chi-restraints excluded: chain A residue 2921 GLU Chi-restraints excluded: chain A residue 2928 LYS Chi-restraints excluded: chain A residue 2932 MET Chi-restraints excluded: chain A residue 3641 LEU Chi-restraints excluded: chain A residue 3642 TYR Chi-restraints excluded: chain A residue 3643 ASN Chi-restraints excluded: chain A residue 3647 HIS Chi-restraints excluded: chain A residue 3648 ARG Chi-restraints excluded: chain A residue 3656 SER Chi-restraints excluded: chain A residue 3657 TYR Chi-restraints excluded: chain A residue 3658 LYS Chi-restraints excluded: chain A residue 3661 TRP Chi-restraints excluded: chain A residue 3669 PHE Chi-restraints excluded: chain A residue 3674 ILE Chi-restraints excluded: chain A residue 3678 SER Chi-restraints excluded: chain A residue 3696 ASP Chi-restraints excluded: chain A residue 3703 LEU Chi-restraints excluded: chain A residue 3706 SER Chi-restraints excluded: chain A residue 3708 THR Chi-restraints excluded: chain A residue 3710 LEU Chi-restraints excluded: chain A residue 3711 THR Chi-restraints excluded: chain A residue 3712 GLU Chi-restraints excluded: chain A residue 3727 ASP Chi-restraints excluded: chain A residue 3728 ILE Chi-restraints excluded: chain A residue 3731 LYS Chi-restraints excluded: chain A residue 3733 CYS Chi-restraints excluded: chain A residue 3751 VAL Chi-restraints excluded: chain A residue 3753 PHE Chi-restraints excluded: chain A residue 3761 GLN Chi-restraints excluded: chain A residue 3762 ARG Chi-restraints excluded: chain A residue 3764 LEU Chi-restraints excluded: chain A residue 3768 SER Chi-restraints excluded: chain A residue 3790 THR Chi-restraints excluded: chain A residue 3794 VAL Chi-restraints excluded: chain A residue 3795 SER Chi-restraints excluded: chain A residue 3803 SER Chi-restraints excluded: chain A residue 3804 ILE Chi-restraints excluded: chain A residue 3805 LEU Chi-restraints excluded: chain A residue 3809 ASN Chi-restraints excluded: chain A residue 3822 ASP Chi-restraints excluded: chain A residue 3825 GLU Chi-restraints excluded: chain A residue 3830 GLN Chi-restraints excluded: chain A residue 3835 LEU Chi-restraints excluded: chain A residue 3836 MET Chi-restraints excluded: chain A residue 3838 THR Chi-restraints excluded: chain A residue 3886 ARG Chi-restraints excluded: chain A residue 3890 LEU Chi-restraints excluded: chain A residue 3892 CYS Chi-restraints excluded: chain A residue 3899 PHE Chi-restraints excluded: chain A residue 3905 THR Chi-restraints excluded: chain A residue 3907 THR Chi-restraints excluded: chain A residue 3910 THR Chi-restraints excluded: chain A residue 3911 THR Chi-restraints excluded: chain A residue 3913 ILE Chi-restraints excluded: chain A residue 3919 THR Chi-restraints excluded: chain A residue 3920 VAL Chi-restraints excluded: chain A residue 3930 ILE Chi-restraints excluded: chain A residue 3938 SER Chi-restraints excluded: chain A residue 3950 ASN Chi-restraints excluded: chain A residue 3952 SER Chi-restraints excluded: chain A residue 3964 SER Chi-restraints excluded: chain A residue 3966 THR Chi-restraints excluded: chain A residue 3973 CYS Chi-restraints excluded: chain A residue 3974 THR Chi-restraints excluded: chain A residue 3979 SER Chi-restraints excluded: chain A residue 3984 ARG Chi-restraints excluded: chain A residue 4021 LYS Chi-restraints excluded: chain A residue 4040 ILE Chi-restraints excluded: chain A residue 4045 VAL Chi-restraints excluded: chain A residue 4052 SER Chi-restraints excluded: chain A residue 4053 SER Chi-restraints excluded: chain A residue 4054 ASN Chi-restraints excluded: chain A residue 4066 LEU Chi-restraints excluded: chain A residue 4071 ILE Chi-restraints excluded: chain A residue 4072 VAL Chi-restraints excluded: chain A residue 4074 SER Chi-restraints excluded: chain A residue 4078 GLN Chi-restraints excluded: chain A residue 4081 VAL Chi-restraints excluded: chain A residue 4082 THR Chi-restraints excluded: chain A residue 4083 ASP Chi-restraints excluded: chain A residue 4088 ILE Chi-restraints excluded: chain A residue 4092 ASP Chi-restraints excluded: chain A residue 4097 MET Chi-restraints excluded: chain A residue 4098 ASP Chi-restraints excluded: chain A residue 4100 GLN Chi-restraints excluded: chain A residue 4102 GLN Chi-restraints excluded: chain A residue 4104 THR Chi-restraints excluded: chain A residue 4108 ILE Chi-restraints excluded: chain A residue 4113 SER Chi-restraints excluded: chain A residue 4115 SER Chi-restraints excluded: chain A residue 4116 GLU Chi-restraints excluded: chain A residue 4118 ASP Chi-restraints excluded: chain A residue 4119 GLU 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 4132 PHE Chi-restraints excluded: chain A residue 4142 ASN Chi-restraints excluded: chain A residue 4151 SER Chi-restraints excluded: chain A residue 4157 ASP Chi-restraints excluded: chain A residue 4161 ARG Chi-restraints excluded: chain A residue 4166 LEU Chi-restraints excluded: chain A residue 4168 GLU Chi-restraints excluded: chain A residue 4170 ILE Chi-restraints excluded: chain A residue 4182 GLU Chi-restraints excluded: chain A residue 4184 MET Chi-restraints excluded: chain A residue 4187 SER Chi-restraints excluded: chain A residue 4190 ILE Chi-restraints excluded: chain A residue 4192 ARG Chi-restraints excluded: chain A residue 4197 ILE Chi-restraints excluded: chain A residue 4199 GLU Chi-restraints excluded: chain A residue 4205 TRP Chi-restraints excluded: chain A residue 4213 SER Chi-restraints excluded: chain A residue 4217 PHE Chi-restraints excluded: chain A residue 4221 VAL Chi-restraints excluded: chain A residue 4241 THR Chi-restraints excluded: chain A residue 4246 GLN Chi-restraints excluded: chain A residue 4251 ILE Chi-restraints excluded: chain A residue 4549 VAL Chi-restraints excluded: chain A residue 4552 LEU Chi-restraints excluded: chain A residue 4553 ASN Chi-restraints excluded: chain A residue 4561 THR Chi-restraints excluded: chain A residue 4562 LEU Chi-restraints excluded: chain A residue 4563 ARG Chi-restraints excluded: chain A residue 4569 LEU Chi-restraints excluded: chain A residue 4571 PHE Chi-restraints excluded: chain A residue 4573 ILE Chi-restraints excluded: chain A residue 4580 TYR Chi-restraints excluded: chain A residue 4584 ASP Chi-restraints excluded: chain A residue 4628 VAL Chi-restraints excluded: chain A residue 4631 PHE Chi-restraints excluded: chain A residue 4632 LEU Chi-restraints excluded: chain A residue 4634 GLU Chi-restraints excluded: chain A residue 4639 MET Chi-restraints excluded: chain A residue 4643 LEU Chi-restraints excluded: chain A residue 4647 SER Chi-restraints excluded: chain A residue 4648 LEU Chi-restraints excluded: chain A residue 4651 THR Chi-restraints excluded: chain A residue 4655 PHE Chi-restraints excluded: chain A residue 4670 ILE Chi-restraints excluded: chain A residue 4676 GLU Chi-restraints excluded: chain A residue 4681 LEU Chi-restraints excluded: chain A residue 4688 ILE Chi-restraints excluded: chain A residue 4694 ASP Chi-restraints excluded: chain A residue 4695 ASP Chi-restraints excluded: chain A residue 4723 LYS Chi-restraints excluded: chain A residue 4724 VAL Chi-restraints excluded: chain A residue 4728 HIS Chi-restraints excluded: chain A residue 4736 ARG Chi-restraints excluded: chain A residue 4741 LEU Chi-restraints excluded: chain A residue 4743 MET Chi-restraints excluded: chain A residue 4744 ASP Chi-restraints excluded: chain A residue 4751 THR Chi-restraints excluded: chain A residue 4765 LEU Chi-restraints excluded: chain A residue 4768 LEU Chi-restraints excluded: chain A residue 4770 SER Chi-restraints excluded: chain A residue 4782 VAL Chi-restraints excluded: chain A residue 4788 SER Chi-restraints excluded: chain A residue 4797 VAL Chi-restraints excluded: chain A residue 4799 SER Chi-restraints excluded: chain A residue 4803 HIS Chi-restraints excluded: chain A residue 4804 TYR Chi-restraints excluded: chain A residue 4816 ILE Chi-restraints excluded: chain A residue 4818 MET Chi-restraints excluded: chain A residue 4822 THR Chi-restraints excluded: chain A residue 4827 LEU Chi-restraints excluded: chain A residue 4828 SER Chi-restraints excluded: chain A residue 4831 THR Chi-restraints excluded: chain A residue 4840 THR Chi-restraints excluded: chain A residue 4852 THR Chi-restraints excluded: chain A residue 4856 PHE Chi-restraints excluded: chain A residue 4858 PHE Chi-restraints excluded: chain A residue 4860 ARG Chi-restraints excluded: chain A residue 4861 LYS Chi-restraints excluded: chain A residue 4865 LYS Chi-restraints excluded: chain A residue 4869 GLU Chi-restraints excluded: chain A residue 4870 ASP Chi-restraints excluded: chain A residue 4871 GLU Chi-restraints excluded: chain A residue 4875 LYS Chi-restraints excluded: chain A residue 4879 MET Chi-restraints excluded: chain A residue 4881 THR Chi-restraints excluded: chain A residue 4887 MET Chi-restraints excluded: chain A residue 4888 TYR Chi-restraints excluded: chain A residue 4891 VAL Chi-restraints excluded: chain A residue 4910 GLU Chi-restraints excluded: chain A residue 4913 ARG Chi-restraints excluded: chain A residue 4915 VAL Chi-restraints excluded: chain A residue 4919 THR Chi-restraints excluded: chain A residue 4925 ILE Chi-restraints excluded: chain A residue 4928 LEU Chi-restraints excluded: chain A residue 4937 ILE Chi-restraints excluded: chain A residue 4938 ASP Chi-restraints excluded: chain A residue 4943 LEU Chi-restraints excluded: chain A residue 4947 GLN Chi-restraints excluded: chain A residue 4950 VAL Chi-restraints excluded: chain A residue 4952 GLU Chi-restraints excluded: chain A residue 4953 ASP Chi-restraints excluded: chain A residue 4957 LYS Chi-restraints excluded: chain A residue 4961 CYS Chi-restraints excluded: chain A residue 4963 ILE Chi-restraints excluded: chain A residue 4965 SER Chi-restraints excluded: chain A residue 4967 TYR Chi-restraints excluded: chain A residue 4970 THR Chi-restraints excluded: chain A residue 4971 THR Chi-restraints excluded: chain A residue 4977 THR Chi-restraints excluded: chain A residue 4979 THR Chi-restraints excluded: chain A residue 4983 HIS Chi-restraints excluded: chain A residue 4985 LEU Chi-restraints excluded: chain A residue 4989 MET Chi-restraints excluded: chain A residue 4997 ASN Chi-restraints excluded: chain A residue 5001 THR Chi-restraints excluded: chain A residue 5008 SER Chi-restraints excluded: chain A residue 5016 GLU Chi-restraints excluded: chain A residue 5018 CYS Chi-restraints excluded: chain A residue 5020 ASP Chi-restraints excluded: chain A residue 5021 PHE Chi-restraints excluded: chain A residue 5030 LYS Chi-restraints excluded: chain A residue 5034 ASP Chi-restraints excluded: chain A residue 5036 LEU Chi-restraints excluded: chain A residue 5037 SER Chi-restraints excluded: chain C residue 13 PHE Chi-restraints excluded: chain C residue 17 ASP Chi-restraints excluded: chain C residue 20 VAL Chi-restraints excluded: chain C residue 21 VAL Chi-restraints excluded: chain C residue 24 CYS Chi-restraints excluded: chain C residue 28 VAL Chi-restraints excluded: chain C residue 37 LEU Chi-restraints excluded: chain C residue 49 LEU Chi-restraints excluded: chain C residue 50 GLU Chi-restraints excluded: chain C residue 57 ASN Chi-restraints excluded: chain C residue 58 VAL Chi-restraints excluded: chain C residue 64 ILE Chi-restraints excluded: chain C residue 68 THR Chi-restraints excluded: chain C residue 69 LEU Chi-restraints excluded: chain C residue 71 GLN Chi-restraints excluded: chain C residue 74 SER Chi-restraints excluded: chain C residue 75 VAL Chi-restraints excluded: chain C residue 80 GLU Chi-restraints excluded: chain C residue 81 MET Chi-restraints excluded: chain C residue 82 LEU Chi-restraints excluded: chain C residue 107 ILE Chi-restraints excluded: chain C residue 109 LEU Chi-restraints excluded: chain C residue 111 HIS Chi-restraints excluded: chain C residue 114 SER Chi-restraints excluded: chain C residue 115 ARG Chi-restraints excluded: chain C residue 119 SER Chi-restraints excluded: chain C residue 124 SER Chi-restraints excluded: chain C residue 131 LEU Chi-restraints excluded: chain C residue 138 GLN Chi-restraints excluded: chain C residue 144 GLU Chi-restraints excluded: chain C residue 149 THR Chi-restraints excluded: chain C residue 151 HIS Chi-restraints excluded: chain C residue 154 SER Chi-restraints excluded: chain C residue 159 GLU Chi-restraints excluded: chain C residue 161 GLU Chi-restraints excluded: chain C residue 162 LYS Chi-restraints excluded: chain C residue 164 ARG Chi-restraints excluded: chain C residue 165 VAL Chi-restraints excluded: chain C residue 167 ASP Chi-restraints excluded: chain C residue 170 ILE Chi-restraints excluded: chain C residue 173 SER Chi-restraints excluded: chain C residue 174 VAL Chi-restraints excluded: chain C residue 192 ASP Chi-restraints excluded: chain C residue 194 SER Chi-restraints excluded: chain C residue 206 CYS Chi-restraints excluded: chain C residue 210 GLU Chi-restraints excluded: chain C residue 215 THR Chi-restraints excluded: chain C residue 219 VAL Chi-restraints excluded: chain C residue 222 LEU Chi-restraints excluded: chain C residue 226 HIS Chi-restraints excluded: chain C residue 229 GLU Chi-restraints excluded: chain C residue 232 THR Chi-restraints excluded: chain C residue 240 ASP Chi-restraints excluded: chain C residue 243 ARG Chi-restraints excluded: chain C residue 258 SER Chi-restraints excluded: chain C residue 260 TRP Chi-restraints excluded: chain C residue 262 LEU Chi-restraints excluded: chain C residue 267 ILE Chi-restraints excluded: chain C residue 268 SER Chi-restraints excluded: chain C residue 276 TRP Chi-restraints excluded: chain C residue 278 GLN Chi-restraints excluded: chain C residue 281 ARG Chi-restraints excluded: chain C residue 285 VAL Chi-restraints excluded: chain C residue 286 THR Chi-restraints excluded: chain C residue 287 THR Chi-restraints excluded: chain C residue 299 LEU Chi-restraints excluded: chain C residue 300 VAL Chi-restraints excluded: chain C residue 302 VAL Chi-restraints excluded: chain C residue 303 ASP Chi-restraints excluded: chain C residue 312 THR Chi-restraints excluded: chain C residue 313 SER Chi-restraints excluded: chain C residue 318 VAL Chi-restraints excluded: chain C residue 320 LYS Chi-restraints excluded: chain C residue 343 GLU Chi-restraints excluded: chain C residue 345 LEU Chi-restraints excluded: chain C residue 348 VAL Chi-restraints excluded: chain C residue 357 LEU Chi-restraints excluded: chain C residue 358 THR Chi-restraints excluded: chain C residue 359 TYR Chi-restraints excluded: chain C residue 373 LYS Chi-restraints excluded: chain C residue 381 GLU Chi-restraints excluded: chain C residue 388 LEU Chi-restraints excluded: chain C residue 389 PHE Chi-restraints excluded: chain C residue 390 LEU Chi-restraints excluded: chain C residue 396 GLU Chi-restraints excluded: chain C residue 405 HIS Chi-restraints excluded: chain C residue 419 ASP Chi-restraints excluded: chain C residue 422 SER Chi-restraints excluded: chain C residue 424 LYS Chi-restraints excluded: chain C residue 436 LEU Chi-restraints excluded: chain C residue 444 SER Chi-restraints excluded: chain C residue 453 GLU Chi-restraints excluded: chain C residue 455 PRO Chi-restraints excluded: chain C residue 456 SER Chi-restraints excluded: chain C residue 457 GLU Chi-restraints excluded: chain C residue 459 LEU Chi-restraints excluded: chain C residue 469 ARG Chi-restraints excluded: chain C residue 470 SER Chi-restraints excluded: chain C residue 477 LEU Chi-restraints excluded: chain C residue 478 PHE Chi-restraints excluded: chain C residue 483 MET Chi-restraints excluded: chain C residue 487 VAL Chi-restraints excluded: chain C residue 488 LEU Chi-restraints excluded: chain C residue 494 LEU Chi-restraints excluded: chain C residue 497 TYR Chi-restraints excluded: chain C residue 498 THR Chi-restraints excluded: chain C residue 499 THR Chi-restraints excluded: chain C residue 503 PHE Chi-restraints excluded: chain C residue 510 GLU Chi-restraints excluded: chain C residue 514 SER Chi-restraints excluded: chain C residue 517 GLU Chi-restraints excluded: chain C residue 521 LEU Chi-restraints excluded: chain C residue 524 GLU Chi-restraints excluded: chain C residue 534 ARG Chi-restraints excluded: chain C residue 537 CYS Chi-restraints excluded: chain C residue 542 THR Chi-restraints excluded: chain C residue 549 SER Chi-restraints excluded: chain C residue 553 ARG Chi-restraints excluded: chain C residue 554 LEU Chi-restraints excluded: chain C residue 557 SER Chi-restraints excluded: chain C residue 566 CYS Chi-restraints excluded: chain C residue 570 GLU Chi-restraints excluded: chain C residue 573 GLU Chi-restraints excluded: chain C residue 581 ASN Chi-restraints excluded: chain C residue 587 ILE Chi-restraints excluded: chain C residue 600 LEU Chi-restraints excluded: chain C residue 608 VAL Chi-restraints excluded: chain C residue 612 VAL Chi-restraints excluded: chain C residue 614 VAL Chi-restraints excluded: chain C residue 616 SER Chi-restraints excluded: chain C residue 622 THR Chi-restraints excluded: chain C residue 629 ARG Chi-restraints excluded: chain C residue 634 GLN Chi-restraints excluded: chain C residue 637 LEU Chi-restraints excluded: chain C residue 641 VAL Chi-restraints excluded: chain C residue 643 SER Chi-restraints excluded: chain C residue 648 ILE Chi-restraints excluded: chain C residue 650 VAL Chi-restraints excluded: chain C residue 652 ARG Chi-restraints excluded: chain C residue 659 TYR Chi-restraints excluded: chain C residue 661 LYS Chi-restraints excluded: chain C residue 662 TRP Chi-restraints excluded: chain C residue 663 TYR Chi-restraints excluded: chain C residue 668 VAL Chi-restraints excluded: chain C residue 669 ASP Chi-restraints excluded: chain C residue 671 VAL Chi-restraints excluded: chain C residue 675 LEU Chi-restraints excluded: chain C residue 680 THR Chi-restraints excluded: chain C residue 683 ARG Chi-restraints excluded: chain C residue 684 VAL Chi-restraints excluded: chain C residue 692 TYR Chi-restraints excluded: chain C residue 700 GLU Chi-restraints excluded: chain C residue 707 VAL Chi-restraints excluded: chain C residue 710 ASP Chi-restraints excluded: chain C residue 716 PHE Chi-restraints excluded: chain C residue 719 LEU Chi-restraints excluded: chain C residue 720 HIS Chi-restraints excluded: chain C residue 726 VAL Chi-restraints excluded: chain C residue 730 VAL Chi-restraints excluded: chain C residue 735 GLN Chi-restraints excluded: chain C residue 737 LEU Chi-restraints excluded: chain C residue 744 VAL Chi-restraints excluded: chain C residue 752 VAL Chi-restraints excluded: chain C residue 754 SER Chi-restraints excluded: chain C residue 758 ARG Chi-restraints excluded: chain C residue 776 LEU Chi-restraints excluded: chain C residue 780 VAL Chi-restraints excluded: chain C residue 784 SER Chi-restraints excluded: chain C residue 787 VAL Chi-restraints excluded: chain C residue 788 LYS Chi-restraints excluded: chain C residue 791 PHE Chi-restraints excluded: chain C residue 793 LEU Chi-restraints excluded: chain C residue 800 PHE Chi-restraints excluded: chain C residue 803 LEU Chi-restraints excluded: chain C residue 811 CYS Chi-restraints excluded: chain C residue 812 HIS Chi-restraints excluded: chain C residue 831 ARG Chi-restraints excluded: chain C residue 835 ARG Chi-restraints excluded: chain C residue 840 VAL Chi-restraints excluded: chain C residue 850 ASP Chi-restraints excluded: chain C residue 867 LEU Chi-restraints excluded: chain C residue 868 GLU Chi-restraints excluded: chain C residue 869 ARG Chi-restraints excluded: chain C residue 870 ILE Chi-restraints excluded: chain C residue 887 ILE Chi-restraints excluded: chain C residue 891 TRP Chi-restraints excluded: chain C residue 893 TYR Chi-restraints excluded: chain C residue 907 LEU Chi-restraints excluded: chain C residue 913 LEU Chi-restraints excluded: chain C residue 944 GLU 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 1034 SER Chi-restraints excluded: chain C residue 1036 ARG Chi-restraints excluded: chain C residue 1037 ASP Chi-restraints excluded: chain C residue 1044 ARG Chi-restraints excluded: chain C residue 1046 LEU Chi-restraints excluded: chain C residue 1076 ARG Chi-restraints excluded: chain C residue 1079 LYS Chi-restraints excluded: chain C residue 1080 SER Chi-restraints excluded: chain C residue 1082 THR Chi-restraints excluded: chain C residue 1083 VAL Chi-restraints excluded: chain C residue 1099 GLU Chi-restraints excluded: chain C residue 1102 VAL Chi-restraints excluded: chain C residue 1110 ARG Chi-restraints excluded: chain C residue 1112 ASP Chi-restraints excluded: chain C residue 1113 VAL Chi-restraints excluded: chain C residue 1120 LEU Chi-restraints excluded: chain C residue 1123 VAL Chi-restraints excluded: chain C residue 1133 HIS Chi-restraints excluded: chain C residue 1134 LEU Chi-restraints excluded: chain C residue 1139 PHE Chi-restraints excluded: chain C residue 1141 ARG Chi-restraints excluded: chain C residue 1148 VAL Chi-restraints excluded: chain C residue 1149 VAL 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 1159 THR Chi-restraints excluded: chain C residue 1164 LEU Chi-restraints excluded: chain C residue 1179 PHE Chi-restraints excluded: chain C residue 1184 ILE Chi-restraints excluded: chain C residue 1191 VAL Chi-restraints excluded: chain C residue 1193 SER Chi-restraints excluded: chain C residue 1198 GLN Chi-restraints excluded: chain C residue 1201 HIS 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 1210 SER Chi-restraints excluded: chain C residue 1214 PHE Chi-restraints excluded: chain C residue 1230 MET Chi-restraints excluded: chain C residue 1232 ARG Chi-restraints excluded: chain C residue 1234 VAL Chi-restraints excluded: chain C residue 1238 PHE Chi-restraints excluded: chain C residue 1239 SER Chi-restraints excluded: chain C residue 1241 SER Chi-restraints excluded: chain C residue 1242 LEU Chi-restraints excluded: chain C residue 1255 TYR Chi-restraints excluded: chain C residue 1260 MET Chi-restraints excluded: chain C residue 1266 THR 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 1608 MET Chi-restraints excluded: chain C residue 1612 PHE Chi-restraints excluded: chain C residue 1630 CYS Chi-restraints excluded: chain C residue 1635 THR Chi-restraints excluded: chain C residue 1637 MET Chi-restraints excluded: chain C residue 1639 LEU Chi-restraints excluded: chain C residue 1647 CYS Chi-restraints excluded: chain C residue 1648 MET Chi-restraints excluded: chain C residue 1652 GLU Chi-restraints excluded: chain C residue 1653 LEU Chi-restraints excluded: chain C residue 1655 GLU Chi-restraints excluded: chain C residue 1656 ARG Chi-restraints excluded: chain C residue 1664 SER Chi-restraints excluded: chain C residue 1666 THR Chi-restraints excluded: chain C residue 1671 ARG Chi-restraints excluded: chain C residue 1681 VAL Chi-restraints excluded: chain C residue 1687 SER Chi-restraints excluded: chain C residue 1693 GLN Chi-restraints excluded: chain C residue 1695 LEU Chi-restraints excluded: chain C residue 1700 ASP Chi-restraints excluded: chain C residue 1702 HIS Chi-restraints excluded: chain C residue 1703 LEU Chi-restraints excluded: chain C residue 1706 PRO Chi-restraints excluded: chain C residue 1714 LEU Chi-restraints excluded: chain C residue 1716 ILE Chi-restraints excluded: chain C residue 1717 SER Chi-restraints excluded: chain C residue 1720 LEU Chi-restraints excluded: chain C residue 1721 GLU Chi-restraints excluded: chain C residue 1724 CYS Chi-restraints excluded: chain C residue 1727 ARG Chi-restraints excluded: chain C residue 1730 MET Chi-restraints excluded: chain C residue 1731 LEU Chi-restraints excluded: chain C residue 1733 GLU Chi-restraints excluded: chain C residue 1736 VAL Chi-restraints excluded: chain C residue 1739 THR Chi-restraints excluded: chain C residue 1742 THR Chi-restraints excluded: chain C residue 1745 ILE Chi-restraints excluded: chain C residue 1769 THR Chi-restraints excluded: chain C residue 1770 SER Chi-restraints excluded: chain C residue 1776 HIS Chi-restraints excluded: chain C residue 1778 SER Chi-restraints excluded: chain C residue 1786 LEU Chi-restraints excluded: chain C residue 1798 LEU Chi-restraints excluded: chain C residue 1802 ILE Chi-restraints excluded: chain C residue 1813 ARG Chi-restraints excluded: chain C residue 1817 GLU Chi-restraints excluded: chain C residue 1830 VAL Chi-restraints excluded: chain C residue 1833 SER Chi-restraints excluded: chain C residue 1834 VAL Chi-restraints excluded: chain C residue 1845 VAL Chi-restraints excluded: chain C residue 1847 THR Chi-restraints excluded: chain C residue 1850 VAL Chi-restraints excluded: chain C residue 1862 ILE Chi-restraints excluded: chain C residue 1865 MET Chi-restraints excluded: chain C residue 1935 VAL Chi-restraints excluded: chain C residue 1947 CYS Chi-restraints excluded: chain C residue 1950 GLU Chi-restraints excluded: chain C residue 1953 HIS Chi-restraints excluded: chain C residue 1955 VAL Chi-restraints excluded: chain C residue 1963 GLU Chi-restraints excluded: chain C residue 1965 TYR Chi-restraints excluded: chain C residue 1969 LEU Chi-restraints excluded: chain C residue 1973 GLN Chi-restraints excluded: chain C residue 1980 LEU Chi-restraints excluded: chain C residue 2006 ILE Chi-restraints excluded: chain C residue 2010 LEU Chi-restraints excluded: chain C residue 2011 HIS Chi-restraints excluded: chain C residue 2027 ILE Chi-restraints excluded: chain C residue 2031 LEU Chi-restraints excluded: chain C residue 2039 LEU Chi-restraints excluded: chain C residue 2041 HIS Chi-restraints excluded: chain C residue 2097 LEU Chi-restraints excluded: chain C residue 2098 VAL Chi-restraints excluded: chain C residue 2117 VAL Chi-restraints excluded: chain C residue 2122 SER Chi-restraints excluded: chain C residue 2126 ARG Chi-restraints excluded: chain C residue 2128 TYR Chi-restraints excluded: chain C residue 2148 SER Chi-restraints excluded: chain C residue 2152 THR Chi-restraints excluded: chain C residue 2164 SER Chi-restraints excluded: chain C residue 2166 LEU Chi-restraints excluded: chain C residue 2167 ILE Chi-restraints excluded: chain C residue 2172 PRO Chi-restraints excluded: chain C residue 2187 ASN Chi-restraints excluded: chain C residue 2191 PHE Chi-restraints excluded: chain C residue 2192 TYR Chi-restraints excluded: chain C residue 2194 HIS Chi-restraints excluded: chain C residue 2198 MET Chi-restraints excluded: chain C residue 2203 MET Chi-restraints excluded: chain C residue 2210 VAL Chi-restraints excluded: chain C residue 2215 LEU Chi-restraints excluded: chain C residue 2223 ILE Chi-restraints excluded: chain C residue 2240 CYS Chi-restraints excluded: chain C residue 2245 GLN Chi-restraints excluded: chain C residue 2246 ASN Chi-restraints excluded: chain C residue 2249 SER Chi-restraints excluded: chain C residue 2253 HIS Chi-restraints excluded: chain C residue 2273 LEU Chi-restraints excluded: chain C residue 2274 ASP Chi-restraints excluded: chain C residue 2275 VAL Chi-restraints excluded: chain C residue 2279 SER Chi-restraints excluded: chain C residue 2281 ILE Chi-restraints excluded: chain C residue 2286 LEU Chi-restraints excluded: chain C residue 2290 LEU Chi-restraints excluded: chain C residue 2291 GLN Chi-restraints excluded: chain C residue 2292 GLU Chi-restraints excluded: chain C residue 2299 VAL Chi-restraints excluded: chain C residue 2300 SER Chi-restraints excluded: chain C residue 2301 TYR Chi-restraints excluded: chain C residue 2302 LEU Chi-restraints excluded: chain C residue 2336 ARG Chi-restraints excluded: chain C residue 2339 VAL Chi-restraints excluded: chain C residue 2341 VAL Chi-restraints excluded: chain C residue 2358 ILE Chi-restraints excluded: chain C residue 2364 PHE Chi-restraints excluded: chain C residue 2418 LEU Chi-restraints excluded: chain C residue 2420 HIS Chi-restraints excluded: chain C residue 2438 PRO Chi-restraints excluded: chain C residue 2442 LEU Chi-restraints excluded: chain C residue 2443 ILE Chi-restraints excluded: chain C residue 2449 GLU Chi-restraints excluded: chain C residue 2451 LEU Chi-restraints excluded: chain C residue 2456 ILE Chi-restraints excluded: chain C residue 2457 LEU Chi-restraints excluded: chain C residue 2458 ARG Chi-restraints excluded: chain C residue 2460 LEU Chi-restraints excluded: chain C residue 2470 ILE Chi-restraints excluded: chain C residue 2472 LEU Chi-restraints excluded: chain C residue 2752 ASP Chi-restraints excluded: chain C residue 2761 TYR Chi-restraints excluded: chain C residue 2762 THR Chi-restraints excluded: chain C residue 2777 TYR Chi-restraints excluded: chain C residue 2779 GLU Chi-restraints excluded: chain C residue 2806 ARG Chi-restraints excluded: chain C residue 2807 TRP Chi-restraints excluded: chain C residue 2811 GLU Chi-restraints excluded: chain C residue 2869 ARG Chi-restraints excluded: chain C residue 2872 GLN Chi-restraints excluded: chain C residue 2882 TYR Chi-restraints excluded: chain C residue 2883 HIS Chi-restraints excluded: chain C residue 2884 ASN Chi-restraints excluded: chain C residue 2889 LYS Chi-restraints excluded: chain C residue 2892 GLN Chi-restraints excluded: chain C residue 2894 LEU Chi-restraints excluded: chain C residue 2895 GLU Chi-restraints excluded: chain C residue 2901 THR Chi-restraints excluded: chain C residue 2904 LEU Chi-restraints excluded: chain C residue 2906 VAL Chi-restraints excluded: chain C residue 2908 TYR Chi-restraints excluded: chain C residue 2912 THR Chi-restraints excluded: chain C residue 2921 GLU Chi-restraints excluded: chain C residue 2927 LEU Chi-restraints excluded: chain C residue 2932 MET Chi-restraints excluded: chain C residue 3641 LEU Chi-restraints excluded: chain C residue 3642 TYR Chi-restraints excluded: chain C residue 3643 ASN Chi-restraints excluded: chain C residue 3647 HIS Chi-restraints excluded: chain C residue 3648 ARG Chi-restraints excluded: chain C residue 3656 SER Chi-restraints excluded: chain C residue 3657 TYR Chi-restraints excluded: chain C residue 3658 LYS Chi-restraints excluded: chain C residue 3661 TRP Chi-restraints excluded: chain C residue 3663 LEU Chi-restraints excluded: chain C residue 3669 PHE Chi-restraints excluded: chain C residue 3670 GLU Chi-restraints excluded: chain C residue 3671 ASP Chi-restraints excluded: chain C residue 3674 ILE Chi-restraints excluded: chain C residue 3678 SER Chi-restraints excluded: chain C residue 3696 ASP Chi-restraints excluded: chain C residue 3703 LEU Chi-restraints excluded: chain C residue 3706 SER Chi-restraints excluded: chain C residue 3708 THR Chi-restraints excluded: chain C residue 3710 LEU Chi-restraints excluded: chain C residue 3711 THR Chi-restraints excluded: chain C residue 3712 GLU Chi-restraints excluded: chain C residue 3727 ASP Chi-restraints excluded: chain C residue 3733 CYS Chi-restraints excluded: chain C residue 3751 VAL Chi-restraints excluded: chain C residue 3752 SER Chi-restraints excluded: chain C residue 3753 PHE Chi-restraints excluded: chain C residue 3761 GLN Chi-restraints excluded: chain C residue 3762 ARG Chi-restraints excluded: chain C residue 3764 LEU Chi-restraints excluded: chain C residue 3768 SER Chi-restraints excluded: chain C residue 3790 THR Chi-restraints excluded: chain C residue 3794 VAL Chi-restraints excluded: chain C residue 3795 SER Chi-restraints excluded: chain C residue 3798 LEU Chi-restraints excluded: chain C residue 3803 SER Chi-restraints excluded: chain C residue 3804 ILE Chi-restraints excluded: chain C residue 3805 LEU Chi-restraints excluded: chain C residue 3809 ASN Chi-restraints excluded: chain C residue 3822 ASP Chi-restraints excluded: chain C residue 3825 GLU Chi-restraints excluded: chain C residue 3830 GLN Chi-restraints excluded: chain C residue 3835 LEU Chi-restraints excluded: chain C residue 3836 MET Chi-restraints excluded: chain C residue 3838 THR Chi-restraints excluded: chain C residue 3886 ARG Chi-restraints excluded: chain C residue 3890 LEU Chi-restraints excluded: chain C residue 3892 CYS Chi-restraints excluded: chain C residue 3899 PHE Chi-restraints excluded: chain C residue 3905 THR Chi-restraints excluded: chain C residue 3907 THR Chi-restraints excluded: chain C residue 3910 THR Chi-restraints excluded: chain C residue 3911 THR Chi-restraints excluded: chain C residue 3913 ILE Chi-restraints excluded: chain C residue 3919 THR Chi-restraints excluded: chain C residue 3920 VAL Chi-restraints excluded: chain C residue 3930 ILE Chi-restraints excluded: chain C residue 3938 SER Chi-restraints excluded: chain C residue 3950 ASN Chi-restraints excluded: chain C residue 3952 SER Chi-restraints excluded: chain C residue 3964 SER Chi-restraints excluded: chain C residue 3966 THR Chi-restraints excluded: chain C residue 3973 CYS Chi-restraints excluded: chain C residue 3974 THR Chi-restraints excluded: chain C residue 3979 SER Chi-restraints excluded: chain C residue 3980 LEU Chi-restraints excluded: chain C residue 3984 ARG Chi-restraints excluded: chain C residue 4001 MET Chi-restraints excluded: chain C residue 4021 LYS Chi-restraints excluded: chain C residue 4040 ILE Chi-restraints excluded: chain C residue 4053 SER Chi-restraints excluded: chain C residue 4054 ASN Chi-restraints excluded: chain C residue 4066 LEU Chi-restraints excluded: chain C residue 4072 VAL Chi-restraints excluded: chain C residue 4074 SER Chi-restraints excluded: chain C residue 4078 GLN Chi-restraints excluded: chain C residue 4081 VAL 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 4092 ASP Chi-restraints excluded: chain C residue 4097 MET Chi-restraints excluded: chain C residue 4098 ASP Chi-restraints excluded: chain C residue 4100 GLN Chi-restraints excluded: chain C residue 4102 GLN Chi-restraints excluded: chain C residue 4104 THR Chi-restraints excluded: chain C residue 4108 ILE Chi-restraints excluded: chain C residue 4113 SER Chi-restraints excluded: chain C residue 4114 CYS Chi-restraints excluded: chain C residue 4115 SER Chi-restraints excluded: chain C residue 4116 GLU Chi-restraints excluded: chain C residue 4118 ASP Chi-restraints excluded: chain C residue 4119 GLU 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 4132 PHE Chi-restraints excluded: chain C residue 4142 ASN Chi-restraints excluded: chain C residue 4143 VAL Chi-restraints excluded: chain C residue 4151 SER Chi-restraints excluded: chain C residue 4157 ASP Chi-restraints excluded: chain C residue 4161 ARG Chi-restraints excluded: chain C residue 4166 LEU Chi-restraints excluded: chain C residue 4168 GLU Chi-restraints excluded: chain C residue 4170 ILE Chi-restraints excluded: chain C residue 4180 ARG Chi-restraints excluded: chain C residue 4182 GLU Chi-restraints excluded: chain C residue 4187 SER Chi-restraints excluded: chain C residue 4190 ILE Chi-restraints excluded: chain C residue 4192 ARG Chi-restraints excluded: chain C residue 4197 ILE Chi-restraints excluded: chain C residue 4199 GLU Chi-restraints excluded: chain C residue 4205 TRP Chi-restraints excluded: chain C residue 4213 SER Chi-restraints excluded: chain C residue 4217 PHE Chi-restraints excluded: chain C residue 4221 VAL Chi-restraints excluded: chain C residue 4241 THR Chi-restraints excluded: chain C residue 4246 GLN Chi-restraints excluded: chain C residue 4251 ILE Chi-restraints excluded: chain C residue 4549 VAL Chi-restraints excluded: chain C residue 4552 LEU Chi-restraints excluded: chain C residue 4553 ASN Chi-restraints excluded: chain C residue 4561 THR Chi-restraints excluded: chain C residue 4562 LEU Chi-restraints excluded: chain C residue 4569 LEU Chi-restraints excluded: chain C residue 4571 PHE Chi-restraints excluded: chain C residue 4573 ILE Chi-restraints excluded: chain C residue 4580 TYR Chi-restraints excluded: chain C residue 4584 ASP Chi-restraints excluded: chain C residue 4628 VAL Chi-restraints excluded: chain C residue 4631 PHE Chi-restraints excluded: chain C residue 4632 LEU Chi-restraints excluded: chain C residue 4643 LEU Chi-restraints excluded: chain C residue 4648 LEU Chi-restraints excluded: chain C residue 4651 THR Chi-restraints excluded: chain C residue 4670 ILE Chi-restraints excluded: chain C residue 4676 GLU Chi-restraints excluded: chain C residue 4688 ILE Chi-restraints excluded: chain C residue 4694 ASP Chi-restraints excluded: chain C residue 4695 ASP Chi-restraints excluded: chain C residue 4723 LYS Chi-restraints excluded: chain C residue 4724 VAL Chi-restraints excluded: chain C residue 4728 HIS Chi-restraints excluded: chain C residue 4736 ARG Chi-restraints excluded: chain C residue 4741 LEU Chi-restraints excluded: chain C residue 4743 MET Chi-restraints excluded: chain C residue 4744 ASP Chi-restraints excluded: chain C residue 4751 THR Chi-restraints excluded: chain C residue 4765 LEU Chi-restraints excluded: chain C residue 4768 LEU Chi-restraints excluded: chain C residue 4770 SER Chi-restraints excluded: chain C residue 4773 VAL Chi-restraints excluded: chain C residue 4782 VAL Chi-restraints excluded: chain C residue 4788 SER Chi-restraints excluded: chain C residue 4797 VAL Chi-restraints excluded: chain C residue 4799 SER Chi-restraints excluded: chain C residue 4804 TYR Chi-restraints excluded: chain C residue 4816 ILE Chi-restraints excluded: chain C residue 4818 MET Chi-restraints excluded: chain C residue 4822 THR Chi-restraints excluded: chain C residue 4827 LEU Chi-restraints excluded: chain C residue 4828 SER Chi-restraints excluded: chain C residue 4831 THR Chi-restraints excluded: chain C residue 4840 THR Chi-restraints excluded: chain C residue 4852 THR Chi-restraints excluded: chain C residue 4856 PHE Chi-restraints excluded: chain C residue 4858 PHE Chi-restraints excluded: chain C residue 4861 LYS Chi-restraints excluded: chain C residue 4868 ASP Chi-restraints excluded: chain C residue 4870 ASP Chi-restraints excluded: chain C residue 4879 MET Chi-restraints excluded: chain C residue 4881 THR Chi-restraints excluded: chain C residue 4884 LEU Chi-restraints excluded: chain C residue 4887 MET Chi-restraints excluded: chain C residue 4888 TYR Chi-restraints excluded: chain C residue 4891 VAL Chi-restraints excluded: chain C residue 4892 ARG Chi-restraints excluded: chain C residue 4910 GLU Chi-restraints excluded: chain C residue 4913 ARG Chi-restraints excluded: chain C residue 4915 VAL Chi-restraints excluded: chain C residue 4916 PHE Chi-restraints excluded: chain C residue 4917 ASP Chi-restraints excluded: chain C residue 4919 THR Chi-restraints excluded: chain C residue 4925 ILE Chi-restraints excluded: chain C residue 4928 LEU Chi-restraints excluded: chain C residue 4937 ILE Chi-restraints excluded: chain C residue 4938 ASP Chi-restraints excluded: chain C residue 4943 LEU Chi-restraints excluded: chain C residue 4947 GLN Chi-restraints excluded: chain C residue 4950 VAL Chi-restraints excluded: chain C residue 4952 GLU Chi-restraints excluded: chain C residue 4953 ASP 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 4963 ILE Chi-restraints excluded: chain C residue 4965 SER Chi-restraints excluded: chain C residue 4967 TYR Chi-restraints excluded: chain C residue 4970 THR Chi-restraints excluded: chain C residue 4971 THR Chi-restraints excluded: chain C residue 4977 THR Chi-restraints excluded: chain C residue 4979 THR Chi-restraints excluded: chain C residue 4983 HIS Chi-restraints excluded: chain C residue 4985 LEU Chi-restraints excluded: chain C residue 4989 MET Chi-restraints excluded: chain C residue 4997 ASN Chi-restraints excluded: chain C residue 5001 THR Chi-restraints excluded: chain C residue 5008 SER Chi-restraints excluded: chain C residue 5016 GLU Chi-restraints excluded: chain C residue 5018 CYS Chi-restraints excluded: chain C residue 5020 ASP Chi-restraints excluded: chain C residue 5021 PHE Chi-restraints excluded: chain C residue 5030 LYS Chi-restraints excluded: chain C residue 5034 ASP Chi-restraints excluded: chain C residue 5036 LEU Chi-restraints excluded: chain C residue 5037 SER Chi-restraints excluded: chain D residue 17 ASP Chi-restraints excluded: chain D residue 20 VAL Chi-restraints excluded: chain D residue 21 VAL Chi-restraints excluded: chain D residue 24 CYS Chi-restraints excluded: chain D residue 28 VAL Chi-restraints excluded: chain D residue 37 LEU Chi-restraints excluded: chain D residue 49 LEU Chi-restraints excluded: chain D residue 57 ASN Chi-restraints excluded: chain D residue 58 VAL Chi-restraints excluded: chain D residue 64 ILE Chi-restraints excluded: chain D residue 68 THR Chi-restraints excluded: chain D residue 69 LEU Chi-restraints excluded: chain D residue 74 SER Chi-restraints excluded: chain D residue 75 VAL Chi-restraints excluded: chain D residue 80 GLU Chi-restraints excluded: chain D residue 81 MET Chi-restraints excluded: chain D residue 82 LEU Chi-restraints excluded: chain D residue 107 ILE Chi-restraints excluded: chain D residue 109 LEU Chi-restraints excluded: chain D residue 114 SER Chi-restraints excluded: chain D residue 119 SER Chi-restraints excluded: chain D residue 131 LEU Chi-restraints excluded: chain D residue 138 GLN Chi-restraints excluded: chain D residue 144 GLU Chi-restraints excluded: chain D residue 149 THR Chi-restraints excluded: chain D residue 150 MET Chi-restraints excluded: chain D residue 151 HIS Chi-restraints excluded: chain D residue 154 SER Chi-restraints excluded: chain D residue 159 GLU Chi-restraints excluded: chain D residue 161 GLU Chi-restraints excluded: chain D residue 162 LYS Chi-restraints excluded: chain D residue 163 VAL Chi-restraints excluded: chain D residue 164 ARG Chi-restraints excluded: chain D residue 165 VAL Chi-restraints excluded: chain D residue 167 ASP Chi-restraints excluded: chain D residue 170 ILE Chi-restraints excluded: chain D residue 173 SER Chi-restraints excluded: chain D residue 174 VAL Chi-restraints excluded: chain D residue 177 GLU Chi-restraints excluded: chain D residue 192 ASP Chi-restraints excluded: chain D residue 194 SER Chi-restraints excluded: chain D residue 206 CYS Chi-restraints excluded: chain D residue 210 GLU Chi-restraints excluded: chain D residue 211 GLU Chi-restraints excluded: chain D residue 215 THR Chi-restraints excluded: chain D residue 219 VAL Chi-restraints excluded: chain D residue 222 LEU Chi-restraints excluded: chain D residue 226 HIS Chi-restraints excluded: chain D residue 229 GLU Chi-restraints excluded: chain D residue 232 THR Chi-restraints excluded: chain D residue 240 ASP Chi-restraints excluded: chain D residue 243 ARG Chi-restraints excluded: chain D residue 258 SER Chi-restraints excluded: chain D residue 260 TRP Chi-restraints excluded: chain D residue 261 ARG Chi-restraints excluded: chain D residue 262 LEU Chi-restraints excluded: chain D residue 267 ILE 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 287 THR Chi-restraints excluded: chain D residue 299 LEU Chi-restraints excluded: chain D residue 300 VAL Chi-restraints excluded: chain D residue 302 VAL Chi-restraints excluded: chain D residue 303 ASP Chi-restraints excluded: chain D residue 312 THR Chi-restraints excluded: chain D residue 313 SER Chi-restraints excluded: chain D residue 318 VAL Chi-restraints excluded: chain D residue 343 GLU Chi-restraints excluded: chain D residue 345 LEU Chi-restraints excluded: chain D residue 348 VAL Chi-restraints excluded: chain D residue 357 LEU Chi-restraints excluded: chain D residue 359 TYR Chi-restraints excluded: chain D residue 373 LYS Chi-restraints excluded: chain D residue 381 GLU Chi-restraints excluded: chain D residue 389 PHE Chi-restraints excluded: chain D residue 390 LEU Chi-restraints excluded: chain D residue 396 GLU Chi-restraints excluded: chain D residue 407 THR Chi-restraints excluded: chain D residue 419 ASP Chi-restraints excluded: chain D residue 422 SER Chi-restraints excluded: chain D residue 424 LYS Chi-restraints excluded: chain D residue 436 LEU Chi-restraints excluded: chain D residue 444 SER Chi-restraints excluded: chain D residue 453 GLU Chi-restraints excluded: chain D residue 455 PRO Chi-restraints excluded: chain D residue 456 SER Chi-restraints excluded: chain D residue 457 GLU Chi-restraints excluded: chain D residue 459 LEU Chi-restraints excluded: chain D residue 469 ARG Chi-restraints excluded: chain D residue 470 SER Chi-restraints excluded: chain D residue 472 ARG Chi-restraints excluded: chain D residue 477 LEU Chi-restraints excluded: chain D residue 478 PHE Chi-restraints excluded: chain D residue 487 VAL Chi-restraints excluded: chain D residue 488 LEU Chi-restraints excluded: chain D residue 494 LEU Chi-restraints excluded: chain D residue 497 TYR Chi-restraints excluded: chain D residue 498 THR Chi-restraints excluded: chain D residue 499 THR Chi-restraints excluded: chain D residue 503 PHE Chi-restraints excluded: chain D residue 510 GLU Chi-restraints excluded: chain D residue 514 SER Chi-restraints excluded: chain D residue 517 GLU Chi-restraints excluded: chain D residue 521 LEU Chi-restraints excluded: chain D residue 526 LEU Chi-restraints excluded: chain D residue 534 ARG Chi-restraints excluded: chain D residue 537 CYS Chi-restraints excluded: chain D residue 542 THR Chi-restraints excluded: chain D residue 545 ASP Chi-restraints excluded: chain D residue 549 SER Chi-restraints excluded: chain D residue 553 ARG Chi-restraints excluded: chain D residue 554 LEU Chi-restraints excluded: chain D residue 557 SER Chi-restraints excluded: chain D residue 566 CYS Chi-restraints excluded: chain D residue 569 ILE Chi-restraints excluded: chain D residue 570 GLU Chi-restraints excluded: chain D residue 573 GLU Chi-restraints excluded: chain D residue 578 ILE Chi-restraints excluded: chain D residue 581 ASN Chi-restraints excluded: chain D residue 587 ILE Chi-restraints excluded: chain D residue 600 LEU Chi-restraints excluded: chain D residue 608 VAL Chi-restraints excluded: chain D residue 612 VAL Chi-restraints excluded: chain D residue 614 VAL Chi-restraints excluded: chain D residue 616 SER Chi-restraints excluded: chain D residue 622 THR Chi-restraints excluded: chain D residue 624 ASN Chi-restraints excluded: chain D residue 629 ARG Chi-restraints excluded: chain D residue 634 GLN Chi-restraints excluded: chain D residue 637 LEU Chi-restraints excluded: chain D residue 641 VAL Chi-restraints excluded: chain D residue 643 SER Chi-restraints excluded: chain D residue 648 ILE Chi-restraints excluded: chain D residue 650 VAL Chi-restraints excluded: chain D residue 659 TYR Chi-restraints excluded: chain D residue 662 TRP Chi-restraints excluded: chain D residue 663 TYR Chi-restraints excluded: chain D residue 668 VAL Chi-restraints excluded: chain D residue 669 ASP Chi-restraints excluded: chain D residue 671 VAL Chi-restraints excluded: chain D residue 675 LEU Chi-restraints excluded: chain D residue 680 THR Chi-restraints excluded: chain D residue 683 ARG Chi-restraints excluded: chain D residue 684 VAL Chi-restraints excluded: chain D residue 692 TYR Chi-restraints excluded: chain D residue 700 GLU Chi-restraints excluded: chain D residue 707 VAL Chi-restraints excluded: chain D residue 710 ASP Chi-restraints excluded: chain D residue 716 PHE Chi-restraints excluded: chain D residue 719 LEU Chi-restraints excluded: chain D residue 720 HIS Chi-restraints excluded: chain D residue 726 VAL Chi-restraints excluded: chain D residue 730 VAL Chi-restraints excluded: chain D residue 735 GLN Chi-restraints excluded: chain D residue 737 LEU Chi-restraints excluded: chain D residue 744 VAL Chi-restraints excluded: chain D residue 751 SER Chi-restraints excluded: chain D residue 752 VAL Chi-restraints excluded: chain D residue 754 SER Chi-restraints excluded: chain D residue 758 ARG Chi-restraints excluded: chain D residue 776 LEU Chi-restraints excluded: chain D residue 780 VAL Chi-restraints excluded: chain D residue 784 SER Chi-restraints excluded: chain D residue 787 VAL Chi-restraints excluded: chain D residue 788 LYS Chi-restraints excluded: chain D residue 791 PHE Chi-restraints excluded: chain D residue 793 LEU Chi-restraints excluded: chain D residue 800 PHE Chi-restraints excluded: chain D residue 803 LEU Chi-restraints excluded: chain D residue 812 HIS Chi-restraints excluded: chain D residue 818 ARG Chi-restraints excluded: chain D residue 831 ARG Chi-restraints excluded: chain D residue 835 ARG Chi-restraints excluded: chain D residue 840 VAL Chi-restraints excluded: chain D residue 850 ASP Chi-restraints excluded: chain D residue 867 LEU Chi-restraints excluded: chain D residue 868 GLU Chi-restraints excluded: chain D residue 869 ARG Chi-restraints excluded: chain D residue 870 ILE Chi-restraints excluded: chain D residue 887 ILE Chi-restraints excluded: chain D residue 891 TRP Chi-restraints excluded: chain D residue 893 TYR Chi-restraints excluded: chain D residue 907 LEU Chi-restraints excluded: chain D residue 913 LEU Chi-restraints excluded: chain D residue 944 GLU Chi-restraints excluded: chain D residue 974 HIS Chi-restraints excluded: chain D residue 978 THR Chi-restraints excluded: chain D residue 1034 SER Chi-restraints excluded: chain D residue 1036 ARG Chi-restraints excluded: chain D residue 1037 ASP Chi-restraints excluded: chain D residue 1044 ARG Chi-restraints excluded: chain D residue 1046 LEU Chi-restraints excluded: chain D residue 1079 LYS Chi-restraints excluded: chain D residue 1080 SER Chi-restraints excluded: chain D residue 1082 THR Chi-restraints excluded: chain D residue 1083 VAL Chi-restraints excluded: chain D residue 1099 GLU Chi-restraints excluded: chain D residue 1102 VAL Chi-restraints excluded: chain D residue 1110 ARG Chi-restraints excluded: chain D residue 1112 ASP Chi-restraints excluded: chain D residue 1113 VAL Chi-restraints excluded: chain D residue 1120 LEU Chi-restraints excluded: chain D residue 1123 VAL Chi-restraints excluded: chain D residue 1133 HIS Chi-restraints excluded: chain D residue 1134 LEU Chi-restraints excluded: chain D residue 1139 PHE Chi-restraints excluded: chain D residue 1141 ARG Chi-restraints excluded: chain D residue 1148 VAL Chi-restraints excluded: chain D residue 1149 VAL 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 1159 THR Chi-restraints excluded: chain D residue 1164 LEU Chi-restraints excluded: chain D residue 1179 PHE Chi-restraints excluded: chain D residue 1184 ILE Chi-restraints excluded: chain D residue 1191 VAL Chi-restraints excluded: chain D residue 1193 SER Chi-restraints excluded: chain D residue 1198 GLN Chi-restraints excluded: chain D residue 1201 HIS 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 1210 SER Chi-restraints excluded: chain D residue 1214 PHE Chi-restraints excluded: chain D residue 1230 MET Chi-restraints excluded: chain D residue 1232 ARG Chi-restraints excluded: chain D residue 1234 VAL Chi-restraints excluded: chain D residue 1238 PHE Chi-restraints excluded: chain D residue 1239 SER Chi-restraints excluded: chain D residue 1240 LYS Chi-restraints excluded: chain D residue 1241 SER Chi-restraints excluded: chain D residue 1242 LEU Chi-restraints excluded: chain D residue 1255 TYR Chi-restraints excluded: chain D residue 1260 MET Chi-restraints excluded: chain D residue 1266 THR 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 1608 MET Chi-restraints excluded: chain D residue 1612 PHE Chi-restraints excluded: chain D residue 1630 CYS Chi-restraints excluded: chain D residue 1635 THR Chi-restraints excluded: chain D residue 1637 MET Chi-restraints excluded: chain D residue 1639 LEU Chi-restraints excluded: chain D residue 1647 CYS Chi-restraints excluded: chain D residue 1648 MET Chi-restraints excluded: chain D residue 1652 GLU Chi-restraints excluded: chain D residue 1653 LEU Chi-restraints excluded: chain D residue 1654 SER Chi-restraints excluded: chain D residue 1655 GLU Chi-restraints excluded: chain D residue 1657 LEU Chi-restraints excluded: chain D residue 1664 SER Chi-restraints excluded: chain D residue 1666 THR Chi-restraints excluded: chain D residue 1671 ARG Chi-restraints excluded: chain D residue 1681 VAL Chi-restraints excluded: chain D residue 1687 SER Chi-restraints excluded: chain D residue 1693 GLN Chi-restraints excluded: chain D residue 1695 LEU Chi-restraints excluded: chain D residue 1700 ASP Chi-restraints excluded: chain D residue 1702 HIS Chi-restraints excluded: chain D residue 1706 PRO Chi-restraints excluded: chain D residue 1714 LEU Chi-restraints excluded: chain D residue 1716 ILE Chi-restraints excluded: chain D residue 1717 SER Chi-restraints excluded: chain D residue 1720 LEU Chi-restraints excluded: chain D residue 1721 GLU Chi-restraints excluded: chain D residue 1724 CYS Chi-restraints excluded: chain D residue 1727 ARG Chi-restraints excluded: chain D residue 1730 MET Chi-restraints excluded: chain D residue 1731 LEU Chi-restraints excluded: chain D residue 1733 GLU Chi-restraints excluded: chain D residue 1736 VAL Chi-restraints excluded: chain D residue 1739 THR Chi-restraints excluded: chain D residue 1742 THR Chi-restraints excluded: chain D residue 1745 ILE Chi-restraints excluded: chain D residue 1769 THR Chi-restraints excluded: chain D residue 1770 SER Chi-restraints excluded: chain D residue 1778 SER Chi-restraints excluded: chain D residue 1781 CYS Chi-restraints excluded: chain D residue 1802 ILE Chi-restraints excluded: chain D residue 1804 LEU Chi-restraints excluded: chain D residue 1808 ARG Chi-restraints excluded: chain D residue 1813 ARG Chi-restraints excluded: chain D residue 1817 GLU Chi-restraints excluded: chain D residue 1830 VAL Chi-restraints excluded: chain D residue 1833 SER Chi-restraints excluded: chain D residue 1834 VAL Chi-restraints excluded: chain D residue 1845 VAL Chi-restraints excluded: chain D residue 1847 THR Chi-restraints excluded: chain D residue 1850 VAL Chi-restraints excluded: chain D residue 1934 SER Chi-restraints excluded: chain D residue 1935 VAL Chi-restraints excluded: chain D residue 1947 CYS Chi-restraints excluded: chain D residue 1950 GLU Chi-restraints excluded: chain D residue 1953 HIS Chi-restraints excluded: chain D residue 1955 VAL Chi-restraints excluded: chain D residue 1963 GLU Chi-restraints excluded: chain D residue 1965 TYR Chi-restraints excluded: chain D residue 1969 LEU Chi-restraints excluded: chain D residue 1973 GLN Chi-restraints excluded: chain D residue 1980 LEU Chi-restraints excluded: chain D residue 2006 ILE Chi-restraints excluded: chain D residue 2010 LEU Chi-restraints excluded: chain D residue 2011 HIS Chi-restraints excluded: chain D residue 2027 ILE Chi-restraints excluded: chain D residue 2028 ARG Chi-restraints excluded: chain D residue 2031 LEU Chi-restraints excluded: chain D residue 2039 LEU Chi-restraints excluded: chain D residue 2041 HIS Chi-restraints excluded: chain D residue 2097 LEU Chi-restraints excluded: chain D residue 2098 VAL Chi-restraints excluded: chain D residue 2099 SER Chi-restraints excluded: chain D residue 2103 VAL Chi-restraints excluded: chain D residue 2117 VAL Chi-restraints excluded: chain D residue 2122 SER Chi-restraints excluded: chain D residue 2126 ARG Chi-restraints excluded: chain D residue 2128 TYR Chi-restraints excluded: chain D residue 2140 ARG Chi-restraints excluded: chain D residue 2148 SER Chi-restraints excluded: chain D residue 2152 THR Chi-restraints excluded: chain D residue 2162 ILE Chi-restraints excluded: chain D residue 2164 SER Chi-restraints excluded: chain D residue 2166 LEU Chi-restraints excluded: chain D residue 2167 ILE Chi-restraints excluded: chain D residue 2170 MET Chi-restraints excluded: chain D residue 2172 PRO Chi-restraints excluded: chain D residue 2187 ASN Chi-restraints excluded: chain D residue 2191 PHE Chi-restraints excluded: chain D residue 2192 TYR Chi-restraints excluded: chain D residue 2194 HIS Chi-restraints excluded: chain D residue 2198 MET Chi-restraints excluded: chain D residue 2203 MET Chi-restraints excluded: chain D residue 2210 VAL Chi-restraints excluded: chain D residue 2215 LEU Chi-restraints excluded: chain D residue 2223 ILE Chi-restraints excluded: chain D residue 2240 CYS Chi-restraints excluded: chain D residue 2245 GLN Chi-restraints excluded: chain D residue 2246 ASN Chi-restraints excluded: chain D residue 2249 SER Chi-restraints excluded: chain D residue 2253 HIS Chi-restraints excluded: chain D residue 2273 LEU Chi-restraints excluded: chain D residue 2274 ASP Chi-restraints excluded: chain D residue 2275 VAL Chi-restraints excluded: chain D residue 2279 SER Chi-restraints excluded: chain D residue 2280 VAL Chi-restraints excluded: chain D residue 2281 ILE Chi-restraints excluded: chain D residue 2286 LEU Chi-restraints excluded: chain D residue 2290 LEU Chi-restraints excluded: chain D residue 2291 GLN Chi-restraints excluded: chain D residue 2292 GLU Chi-restraints excluded: chain D residue 2299 VAL Chi-restraints excluded: chain D residue 2300 SER Chi-restraints excluded: chain D residue 2301 TYR Chi-restraints excluded: chain D residue 2302 LEU Chi-restraints excluded: chain D residue 2319 PRO Chi-restraints excluded: chain D residue 2336 ARG Chi-restraints excluded: chain D residue 2339 VAL Chi-restraints excluded: chain D residue 2341 VAL Chi-restraints excluded: chain D residue 2342 ASN Chi-restraints excluded: chain D residue 2358 ILE Chi-restraints excluded: chain D residue 2364 PHE Chi-restraints excluded: chain D residue 2418 LEU Chi-restraints excluded: chain D residue 2420 HIS Chi-restraints excluded: chain D residue 2438 PRO Chi-restraints excluded: chain D residue 2442 LEU Chi-restraints excluded: chain D residue 2443 ILE Chi-restraints excluded: chain D residue 2449 GLU Chi-restraints excluded: chain D residue 2451 LEU Chi-restraints excluded: chain D residue 2456 ILE Chi-restraints excluded: chain D residue 2457 LEU Chi-restraints excluded: chain D residue 2458 ARG Chi-restraints excluded: chain D residue 2460 LEU Chi-restraints excluded: chain D residue 2470 ILE Chi-restraints excluded: chain D residue 2472 LEU Chi-restraints excluded: chain D residue 2741 GLU Chi-restraints excluded: chain D residue 2742 THR Chi-restraints excluded: chain D residue 2752 ASP Chi-restraints excluded: chain D residue 2761 TYR Chi-restraints excluded: chain D residue 2762 THR Chi-restraints excluded: chain D residue 2777 TYR Chi-restraints excluded: chain D residue 2779 GLU Chi-restraints excluded: chain D residue 2799 GLU Chi-restraints excluded: chain D residue 2806 ARG Chi-restraints excluded: chain D residue 2807 TRP Chi-restraints excluded: chain D residue 2869 ARG Chi-restraints excluded: chain D residue 2882 TYR Chi-restraints excluded: chain D residue 2883 HIS Chi-restraints excluded: chain D residue 2892 GLN Chi-restraints excluded: chain D residue 2894 LEU Chi-restraints excluded: chain D residue 2895 GLU Chi-restraints excluded: chain D residue 2901 THR Chi-restraints excluded: chain D residue 2904 LEU Chi-restraints excluded: chain D residue 2908 TYR Chi-restraints excluded: chain D residue 2912 THR Chi-restraints excluded: chain D residue 2927 LEU Chi-restraints excluded: chain D residue 2932 MET Chi-restraints excluded: chain D residue 3641 LEU Chi-restraints excluded: chain D residue 3642 TYR Chi-restraints excluded: chain D residue 3643 ASN Chi-restraints excluded: chain D residue 3647 HIS Chi-restraints excluded: chain D residue 3648 ARG Chi-restraints excluded: chain D residue 3656 SER Chi-restraints excluded: chain D residue 3657 TYR Chi-restraints excluded: chain D residue 3658 LYS Chi-restraints excluded: chain D residue 3661 TRP Chi-restraints excluded: chain D residue 3663 LEU Chi-restraints excluded: chain D residue 3669 PHE Chi-restraints excluded: chain D residue 3671 ASP Chi-restraints excluded: chain D residue 3673 MET Chi-restraints excluded: chain D residue 3674 ILE Chi-restraints excluded: chain D residue 3677 LEU Chi-restraints excluded: chain D residue 3678 SER Chi-restraints excluded: chain D residue 3696 ASP Chi-restraints excluded: chain D residue 3703 LEU Chi-restraints excluded: chain D residue 3706 SER Chi-restraints excluded: chain D residue 3708 THR Chi-restraints excluded: chain D residue 3710 LEU Chi-restraints excluded: chain D residue 3711 THR Chi-restraints excluded: chain D residue 3712 GLU Chi-restraints excluded: chain D residue 3727 ASP Chi-restraints excluded: chain D residue 3733 CYS Chi-restraints excluded: chain D residue 3751 VAL Chi-restraints excluded: chain D residue 3753 PHE Chi-restraints excluded: chain D residue 3761 GLN Chi-restraints excluded: chain D residue 3762 ARG Chi-restraints excluded: chain D residue 3764 LEU Chi-restraints excluded: chain D residue 3768 SER Chi-restraints excluded: chain D residue 3783 ILE Chi-restraints excluded: chain D residue 3790 THR Chi-restraints excluded: chain D residue 3794 VAL Chi-restraints excluded: chain D residue 3795 SER Chi-restraints excluded: chain D residue 3803 SER Chi-restraints excluded: chain D residue 3804 ILE Chi-restraints excluded: chain D residue 3805 LEU Chi-restraints excluded: chain D residue 3809 ASN Chi-restraints excluded: chain D residue 3822 ASP Chi-restraints excluded: chain D residue 3825 GLU Chi-restraints excluded: chain D residue 3830 GLN Chi-restraints excluded: chain D residue 3835 LEU Chi-restraints excluded: chain D residue 3836 MET Chi-restraints excluded: chain D residue 3838 THR Chi-restraints excluded: chain D residue 3886 ARG Chi-restraints excluded: chain D residue 3890 LEU Chi-restraints excluded: chain D residue 3892 CYS Chi-restraints excluded: chain D residue 3899 PHE Chi-restraints excluded: chain D residue 3905 THR Chi-restraints excluded: chain D residue 3907 THR Chi-restraints excluded: chain D residue 3910 THR Chi-restraints excluded: chain D residue 3911 THR Chi-restraints excluded: chain D residue 3913 ILE Chi-restraints excluded: chain D residue 3919 THR Chi-restraints excluded: chain D residue 3920 VAL Chi-restraints excluded: chain D residue 3930 ILE Chi-restraints excluded: chain D residue 3938 SER Chi-restraints excluded: chain D residue 3950 ASN Chi-restraints excluded: chain D residue 3952 SER Chi-restraints excluded: chain D residue 3964 SER Chi-restraints excluded: chain D residue 3966 THR Chi-restraints excluded: chain D residue 3973 CYS Chi-restraints excluded: chain D residue 3974 THR Chi-restraints excluded: chain D residue 3979 SER Chi-restraints excluded: chain D residue 3984 ARG Chi-restraints excluded: chain D residue 4001 MET Chi-restraints excluded: chain D residue 4021 LYS Chi-restraints excluded: chain D residue 4040 ILE Chi-restraints excluded: chain D residue 4045 VAL Chi-restraints excluded: chain D residue 4052 SER Chi-restraints excluded: chain D residue 4053 SER Chi-restraints excluded: chain D residue 4054 ASN Chi-restraints excluded: chain D residue 4066 LEU Chi-restraints excluded: chain D residue 4072 VAL Chi-restraints excluded: chain D residue 4074 SER Chi-restraints excluded: chain D residue 4078 GLN Chi-restraints excluded: chain D residue 4081 VAL 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 4092 ASP Chi-restraints excluded: chain D residue 4097 MET Chi-restraints excluded: chain D residue 4098 ASP Chi-restraints excluded: chain D residue 4100 GLN Chi-restraints excluded: chain D residue 4102 GLN Chi-restraints excluded: chain D residue 4104 THR Chi-restraints excluded: chain D residue 4108 ILE Chi-restraints excluded: chain D residue 4113 SER Chi-restraints excluded: chain D residue 4114 CYS Chi-restraints excluded: chain D residue 4115 SER Chi-restraints excluded: chain D residue 4116 GLU Chi-restraints excluded: chain D residue 4118 ASP Chi-restraints excluded: chain D residue 4119 GLU 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 4132 PHE Chi-restraints excluded: chain D residue 4142 ASN Chi-restraints excluded: chain D residue 4151 SER Chi-restraints excluded: chain D residue 4157 ASP Chi-restraints excluded: chain D residue 4161 ARG Chi-restraints excluded: chain D residue 4166 LEU Chi-restraints excluded: chain D residue 4168 GLU Chi-restraints excluded: chain D residue 4170 ILE Chi-restraints excluded: chain D residue 4180 ARG Chi-restraints excluded: chain D residue 4182 GLU Chi-restraints excluded: chain D residue 4183 ILE Chi-restraints excluded: chain D residue 4184 MET Chi-restraints excluded: chain D residue 4187 SER Chi-restraints excluded: chain D residue 4190 ILE Chi-restraints excluded: chain D residue 4197 ILE Chi-restraints excluded: chain D residue 4199 GLU Chi-restraints excluded: chain D residue 4205 TRP Chi-restraints excluded: chain D residue 4213 SER Chi-restraints excluded: chain D residue 4217 PHE Chi-restraints excluded: chain D residue 4221 VAL Chi-restraints excluded: chain D residue 4241 THR Chi-restraints excluded: chain D residue 4246 GLN Chi-restraints excluded: chain D residue 4251 ILE Chi-restraints excluded: chain D residue 4549 VAL Chi-restraints excluded: chain D residue 4552 LEU Chi-restraints excluded: chain D residue 4553 ASN Chi-restraints excluded: chain D residue 4561 THR Chi-restraints excluded: chain D residue 4562 LEU Chi-restraints excluded: chain D residue 4563 ARG Chi-restraints excluded: chain D residue 4569 LEU Chi-restraints excluded: chain D residue 4571 PHE Chi-restraints excluded: chain D residue 4573 ILE Chi-restraints excluded: chain D residue 4580 TYR Chi-restraints excluded: chain D residue 4584 ASP Chi-restraints excluded: chain D residue 4628 VAL Chi-restraints excluded: chain D residue 4631 PHE Chi-restraints excluded: chain D residue 4632 LEU Chi-restraints excluded: chain D residue 4638 TYR Chi-restraints excluded: chain D residue 4639 MET Chi-restraints excluded: chain D residue 4643 LEU Chi-restraints excluded: chain D residue 4648 LEU Chi-restraints excluded: chain D residue 4651 THR Chi-restraints excluded: chain D residue 4655 PHE Chi-restraints excluded: chain D residue 4670 ILE Chi-restraints excluded: chain D residue 4676 GLU Chi-restraints excluded: chain D residue 4682 GLU Chi-restraints excluded: chain D residue 4688 ILE 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 4723 LYS Chi-restraints excluded: chain D residue 4724 VAL Chi-restraints excluded: chain D residue 4728 HIS Chi-restraints excluded: chain D residue 4736 ARG Chi-restraints excluded: chain D residue 4741 LEU Chi-restraints excluded: chain D residue 4743 MET Chi-restraints excluded: chain D residue 4744 ASP Chi-restraints excluded: chain D residue 4751 THR Chi-restraints excluded: chain D residue 4765 LEU Chi-restraints excluded: chain D residue 4768 LEU Chi-restraints excluded: chain D residue 4770 SER Chi-restraints excluded: chain D residue 4782 VAL Chi-restraints excluded: chain D residue 4788 SER Chi-restraints excluded: chain D residue 4796 MET Chi-restraints excluded: chain D residue 4797 VAL Chi-restraints excluded: chain D residue 4799 SER Chi-restraints excluded: chain D residue 4804 TYR Chi-restraints excluded: chain D residue 4818 MET Chi-restraints excluded: chain D residue 4822 THR Chi-restraints excluded: chain D residue 4828 SER Chi-restraints excluded: chain D residue 4831 THR Chi-restraints excluded: chain D residue 4840 THR Chi-restraints excluded: chain D residue 4852 THR Chi-restraints excluded: chain D residue 4856 PHE Chi-restraints excluded: chain D residue 4858 PHE Chi-restraints excluded: chain D residue 4860 ARG Chi-restraints excluded: chain D residue 4861 LYS Chi-restraints excluded: chain D residue 4868 ASP Chi-restraints excluded: chain D residue 4870 ASP Chi-restraints excluded: chain D residue 4873 ASP Chi-restraints excluded: chain D residue 4876 CYS Chi-restraints excluded: chain D residue 4879 MET Chi-restraints excluded: chain D residue 4881 THR Chi-restraints excluded: chain D residue 4887 MET Chi-restraints excluded: chain D residue 4888 TYR Chi-restraints excluded: chain D residue 4891 VAL Chi-restraints excluded: chain D residue 4901 ILE Chi-restraints excluded: chain D residue 4910 GLU Chi-restraints excluded: chain D residue 4915 VAL Chi-restraints excluded: chain D residue 4916 PHE Chi-restraints excluded: chain D residue 4917 ASP Chi-restraints excluded: chain D residue 4919 THR Chi-restraints excluded: chain D residue 4925 ILE Chi-restraints excluded: chain D residue 4928 LEU Chi-restraints excluded: chain D residue 4937 ILE Chi-restraints excluded: chain D residue 4938 ASP Chi-restraints excluded: chain D residue 4947 GLN Chi-restraints excluded: chain D residue 4950 VAL Chi-restraints excluded: chain D residue 4952 GLU Chi-restraints excluded: chain D residue 4953 ASP Chi-restraints excluded: chain D residue 4957 LYS Chi-restraints excluded: chain D residue 4961 CYS Chi-restraints excluded: chain D residue 4963 ILE Chi-restraints excluded: chain D residue 4965 SER Chi-restraints excluded: chain D residue 4967 TYR Chi-restraints excluded: chain D residue 4970 THR Chi-restraints excluded: chain D residue 4977 THR Chi-restraints excluded: chain D residue 4979 THR Chi-restraints excluded: chain D residue 4983 HIS Chi-restraints excluded: chain D residue 4985 LEU Chi-restraints excluded: chain D residue 4989 MET Chi-restraints excluded: chain D residue 4997 ASN Chi-restraints excluded: chain D residue 5001 THR Chi-restraints excluded: chain D residue 5008 SER Chi-restraints excluded: chain D residue 5016 GLU Chi-restraints excluded: chain D residue 5018 CYS Chi-restraints excluded: chain D residue 5020 ASP Chi-restraints excluded: chain D residue 5021 PHE Chi-restraints excluded: chain D residue 5030 LYS Chi-restraints excluded: chain D residue 5034 ASP Chi-restraints excluded: chain D residue 5036 LEU Chi-restraints excluded: chain D residue 5037 SER Chi-restraints excluded: chain B residue 13 PHE Chi-restraints excluded: chain B residue 17 ASP Chi-restraints excluded: chain B residue 20 VAL Chi-restraints excluded: chain B residue 21 VAL Chi-restraints excluded: chain B residue 24 CYS Chi-restraints excluded: chain B residue 28 VAL Chi-restraints excluded: chain B residue 37 LEU Chi-restraints excluded: chain B residue 49 LEU Chi-restraints excluded: chain B residue 50 GLU Chi-restraints excluded: chain B residue 57 ASN Chi-restraints excluded: chain B residue 58 VAL Chi-restraints excluded: chain B residue 64 ILE Chi-restraints excluded: chain B residue 68 THR Chi-restraints excluded: chain B residue 74 SER Chi-restraints excluded: chain B residue 75 VAL Chi-restraints excluded: chain B residue 80 GLU Chi-restraints excluded: chain B residue 81 MET Chi-restraints excluded: chain B residue 82 LEU Chi-restraints excluded: chain B residue 107 ILE Chi-restraints excluded: chain B residue 114 SER Chi-restraints excluded: chain B residue 119 SER Chi-restraints excluded: chain B residue 124 SER Chi-restraints excluded: chain B residue 131 LEU Chi-restraints excluded: chain B residue 138 GLN Chi-restraints excluded: chain B residue 144 GLU Chi-restraints excluded: chain B residue 149 THR Chi-restraints excluded: chain B residue 151 HIS Chi-restraints excluded: chain B residue 154 SER Chi-restraints excluded: chain B residue 159 GLU Chi-restraints excluded: chain B residue 161 GLU Chi-restraints excluded: chain B residue 162 LYS Chi-restraints excluded: chain B residue 163 VAL Chi-restraints excluded: chain B residue 164 ARG Chi-restraints excluded: chain B residue 165 VAL Chi-restraints excluded: chain B residue 167 ASP Chi-restraints excluded: chain B residue 170 ILE Chi-restraints excluded: chain B residue 173 SER Chi-restraints excluded: chain B residue 174 VAL Chi-restraints excluded: chain B residue 192 ASP Chi-restraints excluded: chain B residue 194 SER Chi-restraints excluded: chain B residue 206 CYS Chi-restraints excluded: chain B residue 211 GLU Chi-restraints excluded: chain B residue 215 THR Chi-restraints excluded: chain B residue 219 VAL Chi-restraints excluded: chain B residue 222 LEU Chi-restraints excluded: chain B residue 226 HIS Chi-restraints excluded: chain B residue 229 GLU Chi-restraints excluded: chain B residue 232 THR Chi-restraints excluded: chain B residue 240 ASP Chi-restraints excluded: chain B residue 243 ARG Chi-restraints excluded: chain B residue 248 GLU Chi-restraints excluded: chain B residue 258 SER Chi-restraints excluded: chain B residue 260 TRP Chi-restraints excluded: chain B residue 262 LEU Chi-restraints excluded: chain B residue 267 ILE Chi-restraints excluded: chain B residue 276 TRP Chi-restraints excluded: chain B residue 278 GLN Chi-restraints excluded: chain B residue 281 ARG Chi-restraints excluded: chain B residue 283 ARG Chi-restraints excluded: chain B residue 285 VAL Chi-restraints excluded: chain B residue 286 THR Chi-restraints excluded: chain B residue 287 THR Chi-restraints excluded: chain B residue 299 LEU Chi-restraints excluded: chain B residue 300 VAL Chi-restraints excluded: chain B residue 302 VAL Chi-restraints excluded: chain B residue 303 ASP Chi-restraints excluded: chain B residue 312 THR Chi-restraints excluded: chain B residue 313 SER Chi-restraints excluded: chain B residue 318 VAL Chi-restraints excluded: chain B residue 320 LYS Chi-restraints excluded: chain B residue 334 MET Chi-restraints excluded: chain B residue 343 GLU Chi-restraints excluded: chain B residue 345 LEU Chi-restraints excluded: chain B residue 348 VAL Chi-restraints excluded: chain B residue 357 LEU Chi-restraints excluded: chain B residue 358 THR Chi-restraints excluded: chain B residue 359 TYR Chi-restraints excluded: chain B residue 373 LYS Chi-restraints excluded: chain B residue 381 GLU Chi-restraints excluded: chain B residue 388 LEU Chi-restraints excluded: chain B residue 389 PHE Chi-restraints excluded: chain B residue 390 LEU Chi-restraints excluded: chain B residue 396 GLU Chi-restraints excluded: chain B residue 407 THR Chi-restraints excluded: chain B residue 416 LYS Chi-restraints excluded: chain B residue 419 ASP Chi-restraints excluded: chain B residue 422 SER Chi-restraints excluded: chain B residue 424 LYS Chi-restraints excluded: chain B residue 436 LEU Chi-restraints excluded: chain B residue 444 SER Chi-restraints excluded: chain B residue 453 GLU Chi-restraints excluded: chain B residue 455 PRO Chi-restraints excluded: chain B residue 456 SER Chi-restraints excluded: chain B residue 457 GLU Chi-restraints excluded: chain B residue 459 LEU Chi-restraints excluded: chain B residue 469 ARG Chi-restraints excluded: chain B residue 470 SER Chi-restraints excluded: chain B residue 472 ARG Chi-restraints excluded: chain B residue 477 LEU Chi-restraints excluded: chain B residue 478 PHE Chi-restraints excluded: chain B residue 483 MET Chi-restraints excluded: chain B residue 487 VAL Chi-restraints excluded: chain B residue 488 LEU Chi-restraints excluded: chain B residue 494 LEU Chi-restraints excluded: chain B residue 497 TYR Chi-restraints excluded: chain B residue 498 THR Chi-restraints excluded: chain B residue 499 THR Chi-restraints excluded: chain B residue 503 PHE Chi-restraints excluded: chain B residue 510 GLU Chi-restraints excluded: chain B residue 514 SER Chi-restraints excluded: chain B residue 517 GLU Chi-restraints excluded: chain B residue 519 VAL Chi-restraints excluded: chain B residue 521 LEU Chi-restraints excluded: chain B residue 526 LEU Chi-restraints excluded: chain B residue 534 ARG Chi-restraints excluded: chain B residue 537 CYS Chi-restraints excluded: chain B residue 542 THR Chi-restraints excluded: chain B residue 545 ASP Chi-restraints excluded: chain B residue 549 SER Chi-restraints excluded: chain B residue 553 ARG Chi-restraints excluded: chain B residue 557 SER Chi-restraints excluded: chain B residue 566 CYS Chi-restraints excluded: chain B residue 569 ILE Chi-restraints excluded: chain B residue 570 GLU Chi-restraints excluded: chain B residue 573 GLU Chi-restraints excluded: chain B residue 578 ILE Chi-restraints excluded: chain B residue 581 ASN Chi-restraints excluded: chain B residue 587 ILE Chi-restraints excluded: chain B residue 600 LEU Chi-restraints excluded: chain B residue 608 VAL Chi-restraints excluded: chain B residue 612 VAL Chi-restraints excluded: chain B residue 614 VAL Chi-restraints excluded: chain B residue 616 SER Chi-restraints excluded: chain B residue 622 THR Chi-restraints excluded: chain B residue 624 ASN Chi-restraints excluded: chain B residue 629 ARG Chi-restraints excluded: chain B residue 634 GLN Chi-restraints excluded: chain B residue 637 LEU Chi-restraints excluded: chain B residue 641 VAL Chi-restraints excluded: chain B residue 643 SER Chi-restraints excluded: chain B residue 648 ILE Chi-restraints excluded: chain B residue 650 VAL Chi-restraints excluded: chain B residue 659 TYR Chi-restraints excluded: chain B residue 662 TRP Chi-restraints excluded: chain B residue 663 TYR Chi-restraints excluded: chain B residue 668 VAL Chi-restraints excluded: chain B residue 669 ASP Chi-restraints excluded: chain B residue 671 VAL Chi-restraints excluded: chain B residue 675 LEU Chi-restraints excluded: chain B residue 680 THR Chi-restraints excluded: chain B residue 683 ARG Chi-restraints excluded: chain B residue 684 VAL Chi-restraints excluded: chain B residue 692 TYR Chi-restraints excluded: chain B residue 700 GLU Chi-restraints excluded: chain B residue 707 VAL Chi-restraints excluded: chain B residue 710 ASP Chi-restraints excluded: chain B residue 716 PHE Chi-restraints excluded: chain B residue 719 LEU Chi-restraints excluded: chain B residue 720 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 744 VAL Chi-restraints excluded: chain B residue 749 ASP Chi-restraints excluded: chain B residue 751 SER Chi-restraints excluded: chain B residue 752 VAL Chi-restraints excluded: chain B residue 754 SER Chi-restraints excluded: chain B residue 758 ARG Chi-restraints excluded: chain B residue 760 ASN Chi-restraints excluded: chain B residue 776 LEU Chi-restraints excluded: chain B residue 780 VAL Chi-restraints excluded: chain B residue 784 SER Chi-restraints excluded: chain B residue 787 VAL Chi-restraints excluded: chain B residue 788 LYS Chi-restraints excluded: chain B residue 791 PHE Chi-restraints excluded: chain B residue 793 LEU Chi-restraints excluded: chain B residue 800 PHE Chi-restraints excluded: chain B residue 803 LEU Chi-restraints excluded: chain B residue 812 HIS Chi-restraints excluded: chain B residue 831 ARG Chi-restraints excluded: chain B residue 835 ARG Chi-restraints excluded: chain B residue 840 VAL Chi-restraints excluded: chain B residue 850 ASP Chi-restraints excluded: chain B residue 867 LEU Chi-restraints excluded: chain B residue 868 GLU Chi-restraints excluded: chain B residue 869 ARG Chi-restraints excluded: chain B residue 870 ILE Chi-restraints excluded: chain B residue 887 ILE Chi-restraints excluded: chain B residue 891 TRP Chi-restraints excluded: chain B residue 893 TYR Chi-restraints excluded: chain B residue 907 LEU Chi-restraints excluded: chain B residue 913 LEU Chi-restraints excluded: chain B residue 944 GLU Chi-restraints excluded: chain B residue 974 HIS Chi-restraints excluded: chain B residue 978 THR Chi-restraints excluded: chain B residue 1034 SER Chi-restraints excluded: chain B residue 1036 ARG Chi-restraints excluded: chain B residue 1037 ASP Chi-restraints excluded: chain B residue 1044 ARG Chi-restraints excluded: chain B residue 1046 LEU Chi-restraints excluded: chain B residue 1076 ARG Chi-restraints excluded: chain B residue 1079 LYS Chi-restraints excluded: chain B residue 1080 SER Chi-restraints excluded: chain B residue 1082 THR Chi-restraints excluded: chain B residue 1083 VAL Chi-restraints excluded: chain B residue 1099 GLU Chi-restraints excluded: chain B residue 1102 VAL Chi-restraints excluded: chain B residue 1110 ARG Chi-restraints excluded: chain B residue 1112 ASP Chi-restraints excluded: chain B residue 1113 VAL Chi-restraints excluded: chain B residue 1120 LEU Chi-restraints excluded: chain B residue 1123 VAL Chi-restraints excluded: chain B residue 1127 HIS Chi-restraints excluded: chain B residue 1133 HIS Chi-restraints excluded: chain B residue 1134 LEU Chi-restraints excluded: chain B residue 1139 PHE Chi-restraints excluded: chain B residue 1141 ARG Chi-restraints excluded: chain B residue 1148 VAL Chi-restraints excluded: chain B residue 1149 VAL 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 1159 THR Chi-restraints excluded: chain B residue 1164 LEU Chi-restraints excluded: chain B residue 1179 PHE Chi-restraints excluded: chain B residue 1184 ILE Chi-restraints excluded: chain B residue 1191 VAL 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 1210 SER Chi-restraints excluded: chain B residue 1214 PHE Chi-restraints excluded: chain B residue 1230 MET Chi-restraints excluded: chain B residue 1232 ARG Chi-restraints excluded: chain B residue 1234 VAL Chi-restraints excluded: chain B residue 1238 PHE Chi-restraints excluded: chain B residue 1239 SER Chi-restraints excluded: chain B residue 1241 SER Chi-restraints excluded: chain B residue 1242 LEU Chi-restraints excluded: chain B residue 1252 HIS Chi-restraints excluded: chain B residue 1255 TYR Chi-restraints excluded: chain B residue 1260 MET Chi-restraints excluded: chain B residue 1266 THR 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 1608 MET Chi-restraints excluded: chain B residue 1612 PHE Chi-restraints excluded: chain B residue 1630 CYS Chi-restraints excluded: chain B residue 1635 THR Chi-restraints excluded: chain B residue 1637 MET Chi-restraints excluded: chain B residue 1639 LEU Chi-restraints excluded: chain B residue 1647 CYS Chi-restraints excluded: chain B residue 1648 MET Chi-restraints excluded: chain B residue 1652 GLU Chi-restraints excluded: chain B residue 1653 LEU Chi-restraints excluded: chain B residue 1654 SER Chi-restraints excluded: chain B residue 1655 GLU Chi-restraints excluded: chain B residue 1657 LEU Chi-restraints excluded: chain B residue 1664 SER Chi-restraints excluded: chain B residue 1666 THR Chi-restraints excluded: chain B residue 1671 ARG Chi-restraints excluded: chain B residue 1681 VAL Chi-restraints excluded: chain B residue 1687 SER Chi-restraints excluded: chain B residue 1693 GLN Chi-restraints excluded: chain B residue 1695 LEU Chi-restraints excluded: chain B residue 1700 ASP Chi-restraints excluded: chain B residue 1702 HIS Chi-restraints excluded: chain B residue 1706 PRO Chi-restraints excluded: chain B residue 1714 LEU Chi-restraints excluded: chain B residue 1716 ILE Chi-restraints excluded: chain B residue 1717 SER Chi-restraints excluded: chain B residue 1720 LEU Chi-restraints excluded: chain B residue 1721 GLU Chi-restraints excluded: chain B residue 1724 CYS Chi-restraints excluded: chain B residue 1730 MET Chi-restraints excluded: chain B residue 1731 LEU Chi-restraints excluded: chain B residue 1733 GLU Chi-restraints excluded: chain B residue 1736 VAL Chi-restraints excluded: chain B residue 1739 THR Chi-restraints excluded: chain B residue 1742 THR Chi-restraints excluded: chain B residue 1745 ILE Chi-restraints excluded: chain B residue 1768 THR Chi-restraints excluded: chain B residue 1769 THR Chi-restraints excluded: chain B residue 1771 LEU Chi-restraints excluded: chain B residue 1776 HIS Chi-restraints excluded: chain B residue 1783 VAL Chi-restraints excluded: chain B residue 1786 LEU Chi-restraints excluded: chain B residue 1798 LEU Chi-restraints excluded: chain B residue 1802 ILE Chi-restraints excluded: chain B residue 1813 ARG Chi-restraints excluded: chain B residue 1817 GLU Chi-restraints excluded: chain B residue 1830 VAL Chi-restraints excluded: chain B residue 1833 SER Chi-restraints excluded: chain B residue 1834 VAL Chi-restraints excluded: chain B residue 1845 VAL Chi-restraints excluded: chain B residue 1847 THR Chi-restraints excluded: chain B residue 1850 VAL Chi-restraints excluded: chain B residue 1935 VAL Chi-restraints excluded: chain B residue 1947 CYS Chi-restraints excluded: chain B residue 1950 GLU Chi-restraints excluded: chain B residue 1953 HIS Chi-restraints excluded: chain B residue 1955 VAL Chi-restraints excluded: chain B residue 1963 GLU Chi-restraints excluded: chain B residue 1969 LEU Chi-restraints excluded: chain B residue 1973 GLN Chi-restraints excluded: chain B residue 1980 LEU Chi-restraints excluded: chain B residue 2006 ILE Chi-restraints excluded: chain B residue 2010 LEU Chi-restraints excluded: chain B residue 2011 HIS Chi-restraints excluded: chain B residue 2027 ILE Chi-restraints excluded: chain B residue 2028 ARG Chi-restraints excluded: chain B residue 2031 LEU Chi-restraints excluded: chain B residue 2039 LEU Chi-restraints excluded: chain B residue 2041 HIS Chi-restraints excluded: chain B residue 2097 LEU Chi-restraints excluded: chain B residue 2098 VAL Chi-restraints excluded: chain B residue 2099 SER Chi-restraints excluded: chain B residue 2103 VAL Chi-restraints excluded: chain B residue 2117 VAL Chi-restraints excluded: chain B residue 2122 SER Chi-restraints excluded: chain B residue 2126 ARG Chi-restraints excluded: chain B residue 2140 ARG Chi-restraints excluded: chain B residue 2148 SER Chi-restraints excluded: chain B residue 2152 THR Chi-restraints excluded: chain B residue 2162 ILE Chi-restraints excluded: chain B residue 2164 SER Chi-restraints excluded: chain B residue 2166 LEU Chi-restraints excluded: chain B residue 2167 ILE Chi-restraints excluded: chain B residue 2172 PRO Chi-restraints excluded: chain B residue 2187 ASN Chi-restraints excluded: chain B residue 2191 PHE Chi-restraints excluded: chain B residue 2192 TYR Chi-restraints excluded: chain B residue 2194 HIS Chi-restraints excluded: chain B residue 2198 MET Chi-restraints excluded: chain B residue 2210 VAL Chi-restraints excluded: chain B residue 2215 LEU Chi-restraints excluded: chain B residue 2223 ILE Chi-restraints excluded: chain B residue 2229 VAL Chi-restraints excluded: chain B residue 2240 CYS Chi-restraints excluded: chain B residue 2245 GLN Chi-restraints excluded: chain B residue 2246 ASN Chi-restraints excluded: chain B residue 2249 SER Chi-restraints excluded: chain B residue 2253 HIS Chi-restraints excluded: chain B residue 2273 LEU Chi-restraints excluded: chain B residue 2274 ASP Chi-restraints excluded: chain B residue 2275 VAL Chi-restraints excluded: chain B residue 2279 SER Chi-restraints excluded: chain B residue 2281 ILE Chi-restraints excluded: chain B residue 2286 LEU Chi-restraints excluded: chain B residue 2290 LEU Chi-restraints excluded: chain B residue 2291 GLN Chi-restraints excluded: chain B residue 2292 GLU Chi-restraints excluded: chain B residue 2299 VAL Chi-restraints excluded: chain B residue 2300 SER Chi-restraints excluded: chain B residue 2301 TYR Chi-restraints excluded: chain B residue 2302 LEU Chi-restraints excluded: chain B residue 2314 LEU Chi-restraints excluded: chain B residue 2336 ARG Chi-restraints excluded: chain B residue 2339 VAL Chi-restraints excluded: chain B residue 2341 VAL Chi-restraints excluded: chain B residue 2364 PHE Chi-restraints excluded: chain B residue 2418 LEU Chi-restraints excluded: chain B residue 2420 HIS Chi-restraints excluded: chain B residue 2438 PRO Chi-restraints excluded: chain B residue 2442 LEU Chi-restraints excluded: chain B residue 2443 ILE Chi-restraints excluded: chain B residue 2451 LEU Chi-restraints excluded: chain B residue 2456 ILE Chi-restraints excluded: chain B residue 2457 LEU Chi-restraints excluded: chain B residue 2458 ARG Chi-restraints excluded: chain B residue 2460 LEU Chi-restraints excluded: chain B residue 2470 ILE Chi-restraints excluded: chain B residue 2472 LEU Chi-restraints excluded: chain B residue 2751 LEU Chi-restraints excluded: chain B residue 2752 ASP Chi-restraints excluded: chain B residue 2761 TYR Chi-restraints excluded: chain B residue 2762 THR Chi-restraints excluded: chain B residue 2777 TYR Chi-restraints excluded: chain B residue 2779 GLU Chi-restraints excluded: chain B residue 2799 GLU Chi-restraints excluded: chain B residue 2806 ARG Chi-restraints excluded: chain B residue 2807 TRP Chi-restraints excluded: chain B residue 2811 GLU Chi-restraints excluded: chain B residue 2869 ARG Chi-restraints excluded: chain B residue 2872 GLN Chi-restraints excluded: chain B residue 2882 TYR Chi-restraints excluded: chain B residue 2883 HIS Chi-restraints excluded: chain B residue 2889 LYS Chi-restraints excluded: chain B residue 2892 GLN Chi-restraints excluded: chain B residue 2895 GLU Chi-restraints excluded: chain B residue 2901 THR Chi-restraints excluded: chain B residue 2912 THR Chi-restraints excluded: chain B residue 2928 LYS Chi-restraints excluded: chain B residue 2932 MET Chi-restraints excluded: chain B residue 3641 LEU Chi-restraints excluded: chain B residue 3642 TYR Chi-restraints excluded: chain B residue 3643 ASN Chi-restraints excluded: chain B residue 3647 HIS Chi-restraints excluded: chain B residue 3648 ARG Chi-restraints excluded: chain B residue 3656 SER Chi-restraints excluded: chain B residue 3657 TYR Chi-restraints excluded: chain B residue 3658 LYS Chi-restraints excluded: chain B residue 3661 TRP Chi-restraints excluded: chain B residue 3663 LEU Chi-restraints excluded: chain B residue 3669 PHE Chi-restraints excluded: chain B residue 3671 ASP Chi-restraints excluded: chain B residue 3673 MET Chi-restraints excluded: chain B residue 3674 ILE Chi-restraints excluded: chain B residue 3678 SER Chi-restraints excluded: chain B residue 3696 ASP Chi-restraints excluded: chain B residue 3703 LEU Chi-restraints excluded: chain B residue 3706 SER Chi-restraints excluded: chain B residue 3708 THR Chi-restraints excluded: chain B residue 3710 LEU Chi-restraints excluded: chain B residue 3711 THR Chi-restraints excluded: chain B residue 3712 GLU Chi-restraints excluded: chain B residue 3727 ASP Chi-restraints excluded: chain B residue 3733 CYS Chi-restraints excluded: chain B residue 3751 VAL Chi-restraints excluded: chain B residue 3753 PHE Chi-restraints excluded: chain B residue 3761 GLN Chi-restraints excluded: chain B residue 3762 ARG Chi-restraints excluded: chain B residue 3764 LEU Chi-restraints excluded: chain B residue 3768 SER Chi-restraints excluded: chain B residue 3790 THR Chi-restraints excluded: chain B residue 3794 VAL Chi-restraints excluded: chain B residue 3795 SER Chi-restraints excluded: chain B residue 3803 SER Chi-restraints excluded: chain B residue 3804 ILE Chi-restraints excluded: chain B residue 3805 LEU Chi-restraints excluded: chain B residue 3809 ASN Chi-restraints excluded: chain B residue 3822 ASP Chi-restraints excluded: chain B residue 3825 GLU Chi-restraints excluded: chain B residue 3830 GLN Chi-restraints excluded: chain B residue 3832 ILE Chi-restraints excluded: chain B residue 3835 LEU Chi-restraints excluded: chain B residue 3836 MET Chi-restraints excluded: chain B residue 3838 THR Chi-restraints excluded: chain B residue 3886 ARG Chi-restraints excluded: chain B residue 3890 LEU Chi-restraints excluded: chain B residue 3899 PHE Chi-restraints excluded: chain B residue 3905 THR Chi-restraints excluded: chain B residue 3907 THR Chi-restraints excluded: chain B residue 3910 THR Chi-restraints excluded: chain B residue 3911 THR Chi-restraints excluded: chain B residue 3913 ILE Chi-restraints excluded: chain B residue 3919 THR Chi-restraints excluded: chain B residue 3920 VAL Chi-restraints excluded: chain B residue 3930 ILE Chi-restraints excluded: chain B residue 3938 SER Chi-restraints excluded: chain B residue 3950 ASN Chi-restraints excluded: chain B residue 3952 SER Chi-restraints excluded: chain B residue 3964 SER Chi-restraints excluded: chain B residue 3966 THR Chi-restraints excluded: chain B residue 3973 CYS Chi-restraints excluded: chain B residue 3974 THR Chi-restraints excluded: chain B residue 3979 SER Chi-restraints excluded: chain B residue 3984 ARG Chi-restraints excluded: chain B residue 4001 MET Chi-restraints excluded: chain B residue 4021 LYS Chi-restraints excluded: chain B residue 4035 VAL Chi-restraints excluded: chain B residue 4040 ILE Chi-restraints excluded: chain B residue 4044 MET Chi-restraints excluded: chain B residue 4052 SER Chi-restraints excluded: chain B residue 4053 SER Chi-restraints excluded: chain B residue 4054 ASN Chi-restraints excluded: chain B residue 4066 LEU Chi-restraints excluded: chain B residue 4072 VAL Chi-restraints excluded: chain B residue 4074 SER Chi-restraints excluded: chain B residue 4078 GLN Chi-restraints excluded: chain B residue 4081 VAL Chi-restraints excluded: chain B residue 4082 THR Chi-restraints excluded: chain B residue 4083 ASP Chi-restraints excluded: chain B residue 4088 ILE Chi-restraints excluded: chain B residue 4092 ASP Chi-restraints excluded: chain B residue 4097 MET Chi-restraints excluded: chain B residue 4098 ASP Chi-restraints excluded: chain B residue 4100 GLN Chi-restraints excluded: chain B residue 4102 GLN Chi-restraints excluded: chain B residue 4104 THR Chi-restraints excluded: chain B residue 4108 ILE Chi-restraints excluded: chain B residue 4113 SER Chi-restraints excluded: chain B residue 4114 CYS Chi-restraints excluded: chain B residue 4115 SER Chi-restraints excluded: chain B residue 4116 GLU Chi-restraints excluded: chain B residue 4118 ASP Chi-restraints excluded: chain B residue 4119 GLU 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 4132 PHE Chi-restraints excluded: chain B residue 4142 ASN Chi-restraints excluded: chain B residue 4151 SER Chi-restraints excluded: chain B residue 4161 ARG Chi-restraints excluded: chain B residue 4166 LEU Chi-restraints excluded: chain B residue 4168 GLU Chi-restraints excluded: chain B residue 4170 ILE Chi-restraints excluded: chain B residue 4182 GLU Chi-restraints excluded: chain B residue 4183 ILE Chi-restraints excluded: chain B residue 4187 SER Chi-restraints excluded: chain B residue 4192 ARG Chi-restraints excluded: chain B residue 4197 ILE Chi-restraints excluded: chain B residue 4199 GLU Chi-restraints excluded: chain B residue 4205 TRP Chi-restraints excluded: chain B residue 4213 SER Chi-restraints excluded: chain B residue 4217 PHE Chi-restraints excluded: chain B residue 4221 VAL Chi-restraints excluded: chain B residue 4241 THR Chi-restraints excluded: chain B residue 4246 GLN Chi-restraints excluded: chain B residue 4251 ILE Chi-restraints excluded: chain B residue 4549 VAL Chi-restraints excluded: chain B residue 4552 LEU Chi-restraints excluded: chain B residue 4553 ASN Chi-restraints excluded: chain B residue 4561 THR Chi-restraints excluded: chain B residue 4562 LEU Chi-restraints excluded: chain B residue 4563 ARG Chi-restraints excluded: chain B residue 4569 LEU Chi-restraints excluded: chain B residue 4571 PHE Chi-restraints excluded: chain B residue 4573 ILE Chi-restraints excluded: chain B residue 4580 TYR Chi-restraints excluded: chain B residue 4584 ASP Chi-restraints excluded: chain B residue 4628 VAL Chi-restraints excluded: chain B residue 4631 PHE Chi-restraints excluded: chain B residue 4632 LEU Chi-restraints excluded: chain B residue 4634 GLU Chi-restraints excluded: chain B residue 4638 TYR Chi-restraints excluded: chain B residue 4639 MET Chi-restraints excluded: chain B residue 4643 LEU Chi-restraints excluded: chain B residue 4648 LEU Chi-restraints excluded: chain B residue 4651 THR Chi-restraints excluded: chain B residue 4655 PHE Chi-restraints excluded: chain B residue 4670 ILE Chi-restraints excluded: chain B residue 4676 GLU Chi-restraints excluded: chain B residue 4682 GLU Chi-restraints excluded: chain B residue 4688 ILE Chi-restraints excluded: chain B residue 4694 ASP Chi-restraints excluded: chain B residue 4695 ASP Chi-restraints excluded: chain B residue 4723 LYS Chi-restraints excluded: chain B residue 4724 VAL Chi-restraints excluded: chain B residue 4728 HIS Chi-restraints excluded: chain B residue 4736 ARG Chi-restraints excluded: chain B residue 4741 LEU Chi-restraints excluded: chain B residue 4743 MET Chi-restraints excluded: chain B residue 4744 ASP Chi-restraints excluded: chain B residue 4751 THR Chi-restraints excluded: chain B residue 4765 LEU Chi-restraints excluded: chain B residue 4768 LEU Chi-restraints excluded: chain B residue 4770 SER Chi-restraints excluded: chain B residue 4782 VAL Chi-restraints excluded: chain B residue 4788 SER Chi-restraints excluded: chain B residue 4797 VAL Chi-restraints excluded: chain B residue 4799 SER Chi-restraints excluded: chain B residue 4804 TYR Chi-restraints excluded: chain B residue 4816 ILE Chi-restraints excluded: chain B residue 4818 MET Chi-restraints excluded: chain B residue 4822 THR Chi-restraints excluded: chain B residue 4827 LEU Chi-restraints excluded: chain B residue 4828 SER Chi-restraints excluded: chain B residue 4831 THR Chi-restraints excluded: chain B residue 4840 THR Chi-restraints excluded: chain B residue 4852 THR Chi-restraints excluded: chain B residue 4856 PHE Chi-restraints excluded: chain B residue 4858 PHE Chi-restraints excluded: chain B residue 4861 LYS Chi-restraints excluded: chain B residue 4864 ASN Chi-restraints excluded: chain B residue 4868 ASP Chi-restraints excluded: chain B residue 4870 ASP Chi-restraints excluded: chain B residue 4873 ASP Chi-restraints excluded: chain B residue 4876 CYS Chi-restraints excluded: chain B residue 4879 MET Chi-restraints excluded: chain B residue 4881 THR Chi-restraints excluded: chain B residue 4887 MET Chi-restraints excluded: chain B residue 4888 TYR Chi-restraints excluded: chain B residue 4891 VAL Chi-restraints excluded: chain B residue 4910 GLU Chi-restraints excluded: chain B residue 4915 VAL Chi-restraints excluded: chain B residue 4916 PHE Chi-restraints excluded: chain B residue 4917 ASP Chi-restraints excluded: chain B residue 4918 ILE Chi-restraints excluded: chain B residue 4919 THR Chi-restraints excluded: chain B residue 4925 ILE Chi-restraints excluded: chain B residue 4928 LEU Chi-restraints excluded: chain B residue 4943 LEU Chi-restraints excluded: chain B residue 4947 GLN Chi-restraints excluded: chain B residue 4950 VAL Chi-restraints excluded: chain B residue 4952 GLU Chi-restraints excluded: chain B residue 4953 ASP Chi-restraints excluded: chain B residue 4956 THR Chi-restraints excluded: chain B residue 4961 CYS Chi-restraints excluded: chain B residue 4963 ILE Chi-restraints excluded: chain B residue 4965 SER Chi-restraints excluded: chain B residue 4970 THR Chi-restraints excluded: chain B residue 4971 THR Chi-restraints excluded: chain B residue 4977 THR Chi-restraints excluded: chain B residue 4979 THR Chi-restraints excluded: chain B residue 4983 HIS Chi-restraints excluded: chain B residue 4985 LEU Chi-restraints excluded: chain B residue 4989 MET Chi-restraints excluded: chain B residue 4997 ASN Chi-restraints excluded: chain B residue 5001 THR Chi-restraints excluded: chain B residue 5008 SER Chi-restraints excluded: chain B residue 5016 GLU Chi-restraints excluded: chain B residue 5018 CYS Chi-restraints excluded: chain B residue 5020 ASP Chi-restraints excluded: chain B residue 5021 PHE Chi-restraints excluded: chain B residue 5034 ASP Chi-restraints excluded: chain B residue 5036 LEU Chi-restraints excluded: chain B residue 5037 SER 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 71 GLN ** A 218 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 379 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A 536 ASN ** A 617 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 624 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 647 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 735 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 736 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 904 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 921 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A1702 HIS ** A1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2112 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2194 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2883 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3830 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3946 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3998 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4162 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4553 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4714 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C 71 GLN ** C 218 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 278 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 379 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 520 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 536 ASN ** C 617 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 624 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 647 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 735 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 736 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 904 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 921 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C1702 HIS ** C1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2112 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2194 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2883 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3830 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3946 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3998 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4162 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4553 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4714 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4803 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D 71 GLN ** D 218 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 520 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D 536 ASN D 647 ASN ** D 735 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 736 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 904 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 921 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D1688 HIS D1702 HIS ** D1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2112 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2194 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2877 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2883 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3781 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3830 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3998 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4553 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4714 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4803 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B 71 GLN ** B 218 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 379 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 520 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B 536 ASN ** B 624 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 647 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 720 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B 735 GLN ** B 736 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B 866 HIS ** B 904 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 921 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B1688 HIS B1702 HIS ** B1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2112 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B2184 ASN ** B2194 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2883 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3830 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3946 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3998 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4133 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4162 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4553 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4714 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4803 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 18 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8438 moved from start: 0.9025 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.055 0.439 119505 Z= 3.537 Angle : 3.096 37.681 162917 Z= 1.570 Chirality : 0.153 0.942 19033 Planarity : 0.021 0.408 21423 Dihedral : 14.544 90.752 17817 Min Nonbonded Distance : 1.091 Molprobity Statistics. All-atom Clashscore : 89.65 Ramachandran Plot: Outliers : 2.39 % Allowed : 37.98 % Favored : 59.63 % Rotamer: Outliers : 28.18 % Allowed : 25.81 % Favored : 46.02 % Cbeta Deviations : 0.61 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 6.09 % Twisted General : 3.85 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -7.35 (0.05), residues: 12808 helix: -4.65 (0.04), residues: 5664 sheet: -3.76 (0.14), residues: 1024 loop : -5.42 (0.05), residues: 6120 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.096 0.012 TRP D5011 HIS 0.041 0.007 HIS A3647 PHE 0.110 0.012 PHE B1238 TYR 0.115 0.011 TYR A 359 ARG 0.053 0.003 ARG B3773 *********************** REFINEMENT MACRO_CYCLE 8 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 25616 Ramachandran restraints generated. 12808 Oldfield, 0 Emsley, 12808 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 25616 Ramachandran restraints generated. 12808 Oldfield, 0 Emsley, 12808 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3383 residues out of total 11248 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2830 poor density : 553 time to evaluate : 9.014 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 50 GLU cc_start: 0.8639 (OUTLIER) cc_final: 0.8009 (tp30) REVERT: A 115 ARG cc_start: 0.9066 (OUTLIER) cc_final: 0.8486 (mmm-85) REVERT: A 150 MET cc_start: 0.8912 (OUTLIER) cc_final: 0.7458 (mpt) REVERT: A 159 GLU cc_start: 0.8821 (OUTLIER) cc_final: 0.8471 (tm-30) REVERT: A 229 GLU cc_start: 0.7584 (OUTLIER) cc_final: 0.7225 (tt0) REVERT: A 243 ARG cc_start: 0.8531 (OUTLIER) cc_final: 0.7206 (mmm160) REVERT: A 248 GLU cc_start: 0.7167 (OUTLIER) cc_final: 0.6921 (mp0) REVERT: A 276 TRP cc_start: 0.7028 (OUTLIER) cc_final: 0.6425 (m100) REVERT: A 283 ARG cc_start: 0.8048 (OUTLIER) cc_final: 0.7272 (ttm170) REVERT: A 403 MET cc_start: 0.8878 (mtp) cc_final: 0.8615 (mtp) REVERT: A 419 ASP cc_start: 0.8618 (OUTLIER) cc_final: 0.8251 (m-30) REVERT: A 553 ARG cc_start: 0.8497 (OUTLIER) cc_final: 0.7778 (tmt-80) REVERT: A 581 ASN cc_start: 0.7965 (OUTLIER) cc_final: 0.7656 (p0) REVERT: A 652 ARG cc_start: 0.7294 (OUTLIER) cc_final: 0.6817 (ttp-170) REVERT: A 659 TYR cc_start: 0.5501 (OUTLIER) cc_final: 0.4742 (m-80) REVERT: A 662 TRP cc_start: 0.7489 (OUTLIER) cc_final: 0.7004 (m-10) REVERT: A 663 TYR cc_start: 0.6715 (OUTLIER) cc_final: 0.5919 (t80) REVERT: A 700 GLU cc_start: 0.7686 (OUTLIER) cc_final: 0.7322 (mp0) REVERT: A 735 GLN cc_start: 0.8695 (OUTLIER) cc_final: 0.8157 (mt0) REVERT: A 869 ARG cc_start: 0.6538 (OUTLIER) cc_final: 0.5106 (ptt180) REVERT: A 870 ILE cc_start: 0.5990 (OUTLIER) cc_final: 0.5098 (mt) REVERT: A 893 TYR cc_start: 0.4913 (OUTLIER) cc_final: 0.3915 (p90) REVERT: A 1036 ARG cc_start: 0.6824 (OUTLIER) cc_final: 0.5114 (tmt170) REVERT: A 1044 ARG cc_start: 0.3055 (OUTLIER) cc_final: 0.2221 (tpp80) REVERT: A 1110 ARG cc_start: 0.9095 (OUTLIER) cc_final: 0.8773 (ptp-110) REVERT: A 1120 LEU cc_start: 0.9410 (OUTLIER) cc_final: 0.9162 (mm) REVERT: A 1133 HIS cc_start: 0.9338 (OUTLIER) cc_final: 0.8717 (t-170) REVERT: A 1141 ARG cc_start: 0.8819 (OUTLIER) cc_final: 0.8094 (ptm160) REVERT: A 1152 MET cc_start: 0.8708 (OUTLIER) cc_final: 0.8470 (mtm) REVERT: A 1202 LEU cc_start: 0.9346 (OUTLIER) cc_final: 0.8901 (tp) REVERT: A 1230 MET cc_start: 0.9081 (OUTLIER) cc_final: 0.8285 (mtt) REVERT: A 1232 ARG cc_start: 0.9108 (OUTLIER) cc_final: 0.8759 (ptt90) REVERT: A 1242 LEU cc_start: 0.9309 (OUTLIER) cc_final: 0.9039 (mp) REVERT: A 1255 TYR cc_start: 0.8853 (OUTLIER) cc_final: 0.7469 (m-80) REVERT: A 1652 GLU cc_start: 0.9493 (OUTLIER) cc_final: 0.8954 (tm-30) REVERT: A 1653 LEU cc_start: 0.9524 (OUTLIER) cc_final: 0.9068 (mp) REVERT: A 1655 GLU cc_start: 0.8563 (OUTLIER) cc_final: 0.7738 (tm-30) REVERT: A 1656 ARG cc_start: 0.9322 (OUTLIER) cc_final: 0.9005 (mmm-85) REVERT: A 1671 ARG cc_start: 0.8764 (OUTLIER) cc_final: 0.8377 (mtm-85) REVERT: A 1703 LEU cc_start: 0.9558 (OUTLIER) cc_final: 0.9267 (mt) REVERT: A 1714 LEU cc_start: 0.9476 (OUTLIER) cc_final: 0.8976 (mp) REVERT: A 1727 ARG cc_start: 0.8783 (OUTLIER) cc_final: 0.8238 (tpp80) REVERT: A 1733 GLU cc_start: 0.8597 (OUTLIER) cc_final: 0.8071 (mp0) REVERT: A 1939 MET cc_start: 0.9090 (mmm) cc_final: 0.8816 (tpp) REVERT: A 1963 GLU cc_start: 0.8430 (OUTLIER) cc_final: 0.8130 (pp20) REVERT: A 1965 TYR cc_start: 0.8078 (OUTLIER) cc_final: 0.7573 (t80) REVERT: A 1973 GLN cc_start: 0.7560 (OUTLIER) cc_final: 0.7167 (tm-30) REVERT: A 2032 GLN cc_start: 0.8862 (OUTLIER) cc_final: 0.8516 (mm110) REVERT: A 2126 ARG cc_start: 0.9442 (OUTLIER) cc_final: 0.9209 (mtp85) REVERT: A 2178 MET cc_start: 0.8643 (tpp) cc_final: 0.8436 (tpt) REVERT: A 2191 PHE cc_start: 0.9166 (OUTLIER) cc_final: 0.8286 (t80) REVERT: A 2245 GLN cc_start: 0.9524 (OUTLIER) cc_final: 0.8833 (mm-40) REVERT: A 2336 ARG cc_start: 0.8984 (OUTLIER) cc_final: 0.8586 (ttp-110) REVERT: A 2364 PHE cc_start: 0.7534 (OUTLIER) cc_final: 0.6652 (m-80) REVERT: A 2420 HIS cc_start: 0.8275 (OUTLIER) cc_final: 0.8019 (t70) REVERT: A 2458 ARG cc_start: 0.7816 (OUTLIER) cc_final: 0.7477 (tpt90) REVERT: A 2777 TYR cc_start: -0.1076 (OUTLIER) cc_final: -0.1402 (m-80) REVERT: A 2779 GLU cc_start: 0.1985 (OUTLIER) cc_final: 0.0576 (mt-10) REVERT: A 2799 GLU cc_start: 0.0657 (OUTLIER) cc_final: 0.0394 (tp30) REVERT: A 2809 ILE cc_start: -0.0678 (OUTLIER) cc_final: -0.0895 (mt) REVERT: A 2811 GLU cc_start: 0.2797 (OUTLIER) cc_final: 0.2372 (mm-30) REVERT: A 2939 ARG cc_start: 0.5052 (mtt180) cc_final: 0.4653 (mtt180) REVERT: A 3642 TYR cc_start: 0.7686 (OUTLIER) cc_final: 0.6576 (p90) REVERT: A 3643 ASN cc_start: 0.7445 (OUTLIER) cc_final: 0.7104 (p0) REVERT: A 3647 HIS cc_start: 0.8076 (OUTLIER) cc_final: 0.7471 (p90) REVERT: A 3672 ARG cc_start: 0.8908 (OUTLIER) cc_final: 0.8407 (ttp80) REVERT: A 3710 LEU cc_start: 0.9356 (OUTLIER) cc_final: 0.9120 (tt) REVERT: A 3753 PHE cc_start: 0.8096 (OUTLIER) cc_final: 0.7806 (t80) REVERT: A 3805 LEU cc_start: 0.9629 (OUTLIER) cc_final: 0.9315 (pp) REVERT: A 3835 LEU cc_start: 0.9492 (OUTLIER) cc_final: 0.9157 (tt) REVERT: A 3886 ARG cc_start: 0.9383 (OUTLIER) cc_final: 0.8471 (tpt90) REVERT: A 4054 ASN cc_start: 0.9079 (OUTLIER) cc_final: 0.8538 (m-40) REVERT: A 4066 LEU cc_start: 0.9477 (OUTLIER) cc_final: 0.9189 (mp) REVERT: A 4071 ILE cc_start: 0.9375 (OUTLIER) cc_final: 0.9168 (tt) REVERT: A 4097 MET cc_start: 0.9011 (OUTLIER) cc_final: 0.8472 (mpp) REVERT: A 4108 ILE cc_start: 0.9181 (OUTLIER) cc_final: 0.8921 (mm) REVERT: A 4132 PHE cc_start: 0.8632 (OUTLIER) cc_final: 0.8169 (m-10) REVERT: A 4142 ASN cc_start: 0.9556 (OUTLIER) cc_final: 0.8969 (t0) REVERT: A 4205 TRP cc_start: 0.9587 (OUTLIER) cc_final: 0.9260 (t-100) REVERT: A 4562 LEU cc_start: 0.9192 (OUTLIER) cc_final: 0.8899 (tt) REVERT: A 4563 ARG cc_start: 0.8933 (OUTLIER) cc_final: 0.8249 (tpt90) REVERT: A 4580 TYR cc_start: 0.9426 (OUTLIER) cc_final: 0.8074 (m-80) REVERT: A 4736 ARG cc_start: 0.9174 (OUTLIER) cc_final: 0.8468 (mtp85) REVERT: A 4770 SER cc_start: 0.7101 (OUTLIER) cc_final: 0.6707 (p) REVERT: A 4803 HIS cc_start: 0.8695 (OUTLIER) cc_final: 0.8435 (m90) REVERT: A 4839 MET cc_start: 0.8810 (mmm) cc_final: 0.8591 (mmm) REVERT: A 4913 ARG cc_start: 0.8871 (OUTLIER) cc_final: 0.7957 (tpt90) REVERT: A 4953 ASP cc_start: 0.8982 (OUTLIER) cc_final: 0.8603 (t0) REVERT: A 4957 LYS cc_start: 0.8993 (OUTLIER) cc_final: 0.8708 (mmtp) REVERT: A 5020 ASP cc_start: 0.9454 (OUTLIER) cc_final: 0.9208 (m-30) REVERT: C 15 ARG cc_start: 0.8482 (OUTLIER) cc_final: 0.8034 (mmp80) REVERT: C 50 GLU cc_start: 0.8629 (OUTLIER) cc_final: 0.7991 (tp30) REVERT: C 115 ARG cc_start: 0.9064 (OUTLIER) cc_final: 0.8517 (mmm-85) REVERT: C 150 MET cc_start: 0.8936 (OUTLIER) cc_final: 0.7482 (mpt) REVERT: C 159 GLU cc_start: 0.8679 (OUTLIER) cc_final: 0.8447 (tp30) REVERT: C 210 GLU cc_start: 0.8069 (OUTLIER) cc_final: 0.7752 (pm20) REVERT: C 243 ARG cc_start: 0.8481 (OUTLIER) cc_final: 0.7149 (mmm160) REVERT: C 248 GLU cc_start: 0.7171 (OUTLIER) cc_final: 0.6839 (mp0) REVERT: C 260 TRP cc_start: 0.8862 (OUTLIER) cc_final: 0.7472 (m100) REVERT: C 261 ARG cc_start: 0.7601 (OUTLIER) cc_final: 0.7353 (ttt180) REVERT: C 276 TRP cc_start: 0.7022 (OUTLIER) cc_final: 0.6323 (m100) REVERT: C 320 LYS cc_start: 0.4640 (OUTLIER) cc_final: 0.4405 (mmmt) REVERT: C 419 ASP cc_start: 0.8597 (OUTLIER) cc_final: 0.8227 (m-30) REVERT: C 524 GLU cc_start: 0.8951 (OUTLIER) cc_final: 0.8545 (mp0) REVERT: C 581 ASN cc_start: 0.7902 (OUTLIER) cc_final: 0.7642 (p0) REVERT: C 629 ARG cc_start: 0.8932 (OUTLIER) cc_final: 0.8615 (mtp85) REVERT: C 652 ARG cc_start: 0.7233 (OUTLIER) cc_final: 0.6769 (ttp-170) REVERT: C 659 TYR cc_start: 0.5492 (OUTLIER) cc_final: 0.4698 (m-80) REVERT: C 662 TRP cc_start: 0.7490 (OUTLIER) cc_final: 0.6995 (m-10) REVERT: C 663 TYR cc_start: 0.6660 (OUTLIER) cc_final: 0.6008 (t80) REVERT: C 683 ARG cc_start: 0.8287 (OUTLIER) cc_final: 0.5362 (mmt90) REVERT: C 700 GLU cc_start: 0.7677 (OUTLIER) cc_final: 0.7330 (mp0) REVERT: C 735 GLN cc_start: 0.8684 (OUTLIER) cc_final: 0.8155 (mt0) REVERT: C 869 ARG cc_start: 0.6522 (OUTLIER) cc_final: 0.5337 (ptt180) REVERT: C 870 ILE cc_start: 0.6004 (OUTLIER) cc_final: 0.4863 (mm) REVERT: C 893 TYR cc_start: 0.5039 (OUTLIER) cc_final: 0.4011 (p90) REVERT: C 944 GLU cc_start: 0.2220 (OUTLIER) cc_final: 0.1854 (tt0) REVERT: C 1036 ARG cc_start: 0.6792 (OUTLIER) cc_final: 0.5112 (tmt170) REVERT: C 1044 ARG cc_start: 0.2919 (OUTLIER) cc_final: 0.2084 (tpp80) REVERT: C 1110 ARG cc_start: 0.9106 (OUTLIER) cc_final: 0.8767 (ptp-110) REVERT: C 1120 LEU cc_start: 0.9416 (OUTLIER) cc_final: 0.9170 (mm) REVERT: C 1133 HIS cc_start: 0.9347 (OUTLIER) cc_final: 0.8723 (t-170) REVERT: C 1141 ARG cc_start: 0.8803 (OUTLIER) cc_final: 0.8088 (ptm160) REVERT: C 1152 MET cc_start: 0.8701 (OUTLIER) cc_final: 0.8487 (mtm) REVERT: C 1202 LEU cc_start: 0.9333 (OUTLIER) cc_final: 0.8864 (tp) REVERT: C 1204 LEU cc_start: 0.9192 (OUTLIER) cc_final: 0.8935 (mm) REVERT: C 1230 MET cc_start: 0.9077 (OUTLIER) cc_final: 0.8274 (mtt) REVERT: C 1232 ARG cc_start: 0.9103 (OUTLIER) cc_final: 0.8755 (ptt90) REVERT: C 1242 LEU cc_start: 0.9312 (OUTLIER) cc_final: 0.9034 (mp) REVERT: C 1255 TYR cc_start: 0.8868 (OUTLIER) cc_final: 0.7499 (m-80) REVERT: C 1630 CYS cc_start: 0.8400 (OUTLIER) cc_final: 0.8015 (p) REVERT: C 1652 GLU cc_start: 0.9495 (OUTLIER) cc_final: 0.8955 (tm-30) REVERT: C 1653 LEU cc_start: 0.9523 (OUTLIER) cc_final: 0.9059 (mp) REVERT: C 1655 GLU cc_start: 0.8575 (OUTLIER) cc_final: 0.7746 (tm-30) REVERT: C 1656 ARG cc_start: 0.9322 (OUTLIER) cc_final: 0.9006 (mmm-85) REVERT: C 1671 ARG cc_start: 0.8757 (OUTLIER) cc_final: 0.8378 (mtm-85) REVERT: C 1703 LEU cc_start: 0.9591 (OUTLIER) cc_final: 0.9281 (mt) REVERT: C 1714 LEU cc_start: 0.9437 (OUTLIER) cc_final: 0.8973 (mp) REVERT: C 1727 ARG cc_start: 0.8700 (OUTLIER) cc_final: 0.8161 (tpp80) REVERT: C 1733 GLU cc_start: 0.8580 (OUTLIER) cc_final: 0.8008 (mp0) REVERT: C 1813 ARG cc_start: 0.9244 (OUTLIER) cc_final: 0.8289 (ttp80) REVERT: C 1939 MET cc_start: 0.9118 (mmm) cc_final: 0.8848 (tpp) REVERT: C 1963 GLU cc_start: 0.8429 (OUTLIER) cc_final: 0.8137 (pp20) REVERT: C 1965 TYR cc_start: 0.8079 (OUTLIER) cc_final: 0.7569 (t80) REVERT: C 1973 GLN cc_start: 0.7544 (OUTLIER) cc_final: 0.7148 (tm-30) REVERT: C 2032 GLN cc_start: 0.8866 (OUTLIER) cc_final: 0.8507 (mm110) REVERT: C 2126 ARG cc_start: 0.9495 (OUTLIER) cc_final: 0.9230 (mtp85) REVERT: C 2191 PHE cc_start: 0.9144 (OUTLIER) cc_final: 0.8336 (t80) REVERT: C 2245 GLN cc_start: 0.9518 (OUTLIER) cc_final: 0.8827 (mm-40) REVERT: C 2336 ARG cc_start: 0.8979 (OUTLIER) cc_final: 0.8562 (ttp-110) REVERT: C 2364 PHE cc_start: 0.7696 (OUTLIER) cc_final: 0.6969 (m-80) REVERT: C 2420 HIS cc_start: 0.8285 (OUTLIER) cc_final: 0.8015 (t70) REVERT: C 2458 ARG cc_start: 0.7809 (OUTLIER) cc_final: 0.7485 (tpt90) REVERT: C 2777 TYR cc_start: -0.1181 (OUTLIER) cc_final: -0.1521 (m-80) REVERT: C 2779 GLU cc_start: 0.1903 (OUTLIER) cc_final: 0.0535 (mt-10) REVERT: C 2809 ILE cc_start: -0.0849 (OUTLIER) cc_final: -0.1218 (mt) REVERT: C 2811 GLU cc_start: 0.3143 (OUTLIER) cc_final: 0.2229 (mm-30) REVERT: C 2874 MET cc_start: 0.4230 (mpp) cc_final: 0.3722 (mpp) REVERT: C 2939 ARG cc_start: 0.4854 (mtt180) cc_final: 0.4608 (mtt180) REVERT: C 3642 TYR cc_start: 0.7689 (OUTLIER) cc_final: 0.6557 (p90) REVERT: C 3643 ASN cc_start: 0.7449 (OUTLIER) cc_final: 0.7103 (p0) REVERT: C 3647 HIS cc_start: 0.8076 (OUTLIER) cc_final: 0.7509 (p90) REVERT: C 3669 PHE cc_start: 0.8875 (OUTLIER) cc_final: 0.8212 (p90) REVERT: C 3753 PHE cc_start: 0.8047 (OUTLIER) cc_final: 0.7742 (t80) REVERT: C 3805 LEU cc_start: 0.9591 (OUTLIER) cc_final: 0.9255 (pp) REVERT: C 3835 LEU cc_start: 0.9483 (OUTLIER) cc_final: 0.9147 (tt) REVERT: C 3886 ARG cc_start: 0.9265 (OUTLIER) cc_final: 0.8274 (tpt90) REVERT: C 3980 LEU cc_start: 0.9722 (OUTLIER) cc_final: 0.9507 (tt) REVERT: C 4054 ASN cc_start: 0.9040 (OUTLIER) cc_final: 0.8446 (m-40) REVERT: C 4066 LEU cc_start: 0.9452 (OUTLIER) cc_final: 0.9170 (mp) REVERT: C 4097 MET cc_start: 0.8978 (OUTLIER) cc_final: 0.8495 (mpp) REVERT: C 4102 GLN cc_start: 0.8860 (OUTLIER) cc_final: 0.8461 (pt0) REVERT: C 4108 ILE cc_start: 0.9238 (OUTLIER) cc_final: 0.9011 (mm) REVERT: C 4132 PHE cc_start: 0.8662 (OUTLIER) cc_final: 0.8201 (m-10) REVERT: C 4142 ASN cc_start: 0.9565 (OUTLIER) cc_final: 0.8977 (t0) REVERT: C 4205 TRP cc_start: 0.9592 (OUTLIER) cc_final: 0.9264 (t-100) REVERT: C 4562 LEU cc_start: 0.9186 (OUTLIER) cc_final: 0.8915 (tt) REVERT: C 4580 TYR cc_start: 0.9448 (OUTLIER) cc_final: 0.8068 (m-80) REVERT: C 4736 ARG cc_start: 0.9189 (OUTLIER) cc_final: 0.8480 (mtp85) REVERT: C 4770 SER cc_start: 0.7088 (OUTLIER) cc_final: 0.6700 (p) REVERT: C 4839 MET cc_start: 0.8796 (mmm) cc_final: 0.8565 (mmm) REVERT: C 4884 LEU cc_start: 0.8972 (OUTLIER) cc_final: 0.8741 (tt) REVERT: C 4892 ARG cc_start: 0.9209 (OUTLIER) cc_final: 0.7256 (ttp80) REVERT: C 4913 ARG cc_start: 0.8970 (OUTLIER) cc_final: 0.8024 (tpt90) REVERT: C 4953 ASP cc_start: 0.8987 (OUTLIER) cc_final: 0.8636 (t0) REVERT: C 5020 ASP cc_start: 0.9439 (OUTLIER) cc_final: 0.9181 (m-30) REVERT: D 50 GLU cc_start: 0.8637 (OUTLIER) cc_final: 0.8004 (tp30) REVERT: D 69 LEU cc_start: 0.9007 (OUTLIER) cc_final: 0.8778 (pt) REVERT: D 80 GLU cc_start: 0.8972 (OUTLIER) cc_final: 0.8296 (mp0) REVERT: D 150 MET cc_start: 0.8912 (OUTLIER) cc_final: 0.7463 (mpt) REVERT: D 159 GLU cc_start: 0.8844 (OUTLIER) cc_final: 0.8511 (tm-30) REVERT: D 177 GLU cc_start: 0.9324 (OUTLIER) cc_final: 0.8855 (mp0) REVERT: D 210 GLU cc_start: 0.8055 (OUTLIER) cc_final: 0.7697 (pm20) REVERT: D 229 GLU cc_start: 0.7733 (OUTLIER) cc_final: 0.7394 (tt0) REVERT: D 243 ARG cc_start: 0.8525 (OUTLIER) cc_final: 0.7250 (mmm160) REVERT: D 248 GLU cc_start: 0.7144 (OUTLIER) cc_final: 0.6888 (mp0) REVERT: D 261 ARG cc_start: 0.7578 (OUTLIER) cc_final: 0.7326 (ttt180) REVERT: D 276 TRP cc_start: 0.7348 (OUTLIER) cc_final: 0.6926 (m100) REVERT: D 419 ASP cc_start: 0.8576 (OUTLIER) cc_final: 0.8204 (m-30) REVERT: D 553 ARG cc_start: 0.8511 (OUTLIER) cc_final: 0.7743 (tmt-80) REVERT: D 581 ASN cc_start: 0.8003 (OUTLIER) cc_final: 0.7738 (p0) REVERT: D 629 ARG cc_start: 0.8863 (OUTLIER) cc_final: 0.8532 (mtp85) REVERT: D 659 TYR cc_start: 0.5830 (OUTLIER) cc_final: 0.4936 (m-80) REVERT: D 662 TRP cc_start: 0.7398 (OUTLIER) cc_final: 0.7003 (m100) REVERT: D 663 TYR cc_start: 0.6596 (OUTLIER) cc_final: 0.6130 (t80) REVERT: D 683 ARG cc_start: 0.8229 (OUTLIER) cc_final: 0.5237 (mmt90) REVERT: D 700 GLU cc_start: 0.7821 (OUTLIER) cc_final: 0.7455 (mp0) REVERT: D 735 GLN cc_start: 0.8690 (OUTLIER) cc_final: 0.8166 (mt0) REVERT: D 818 ARG cc_start: 0.7257 (OUTLIER) cc_final: 0.6975 (ttt180) REVERT: D 869 ARG cc_start: 0.6538 (OUTLIER) cc_final: 0.5369 (ptt180) REVERT: D 870 ILE cc_start: 0.5974 (OUTLIER) cc_final: 0.4850 (mm) REVERT: D 893 TYR cc_start: 0.4945 (OUTLIER) cc_final: 0.4170 (p90) REVERT: D 1036 ARG cc_start: 0.6821 (OUTLIER) cc_final: 0.5116 (tmt170) REVERT: D 1044 ARG cc_start: 0.3056 (OUTLIER) cc_final: 0.2215 (tpp80) REVERT: D 1110 ARG cc_start: 0.9121 (OUTLIER) cc_final: 0.8832 (ptp-110) REVERT: D 1120 LEU cc_start: 0.9411 (OUTLIER) cc_final: 0.9157 (mm) REVERT: D 1133 HIS cc_start: 0.9339 (OUTLIER) cc_final: 0.8718 (t-170) REVERT: D 1141 ARG cc_start: 0.8800 (OUTLIER) cc_final: 0.8092 (ptm160) REVERT: D 1152 MET cc_start: 0.8733 (OUTLIER) cc_final: 0.8497 (mtm) REVERT: D 1202 LEU cc_start: 0.9331 (OUTLIER) cc_final: 0.8864 (tp) REVERT: D 1204 LEU cc_start: 0.9193 (OUTLIER) cc_final: 0.8943 (mm) REVERT: D 1232 ARG cc_start: 0.9093 (OUTLIER) cc_final: 0.8741 (ptt90) REVERT: D 1240 LYS cc_start: 0.9228 (OUTLIER) cc_final: 0.9014 (mtpt) REVERT: D 1242 LEU cc_start: 0.9326 (OUTLIER) cc_final: 0.9038 (mp) REVERT: D 1255 TYR cc_start: 0.8865 (OUTLIER) cc_final: 0.7480 (m-80) REVERT: D 1630 CYS cc_start: 0.8393 (OUTLIER) cc_final: 0.8021 (p) REVERT: D 1652 GLU cc_start: 0.9491 (OUTLIER) cc_final: 0.9086 (tm-30) REVERT: D 1655 GLU cc_start: 0.8904 (OUTLIER) cc_final: 0.7982 (tm-30) REVERT: D 1657 LEU cc_start: 0.9748 (OUTLIER) cc_final: 0.9427 (mm) REVERT: D 1671 ARG cc_start: 0.8761 (OUTLIER) cc_final: 0.8374 (mtm-85) REVERT: D 1703 LEU cc_start: 0.9560 (OUTLIER) cc_final: 0.9295 (mt) REVERT: D 1714 LEU cc_start: 0.9461 (OUTLIER) cc_final: 0.8984 (mp) REVERT: D 1727 ARG cc_start: 0.8670 (OUTLIER) cc_final: 0.8132 (tpp80) REVERT: D 1733 GLU cc_start: 0.8555 (OUTLIER) cc_final: 0.8006 (mp0) REVERT: D 1813 ARG cc_start: 0.9227 (OUTLIER) cc_final: 0.8306 (ttp80) REVERT: D 1939 MET cc_start: 0.9086 (mmm) cc_final: 0.8816 (tpp) REVERT: D 1963 GLU cc_start: 0.8430 (OUTLIER) cc_final: 0.8141 (pp20) REVERT: D 1973 GLN cc_start: 0.7558 (OUTLIER) cc_final: 0.7158 (tm-30) REVERT: D 2032 GLN cc_start: 0.8861 (OUTLIER) cc_final: 0.8484 (mm110) REVERT: D 2126 ARG cc_start: 0.9491 (OUTLIER) cc_final: 0.9234 (mtp85) REVERT: D 2191 PHE cc_start: 0.9170 (OUTLIER) cc_final: 0.8369 (t80) REVERT: D 2245 GLN cc_start: 0.9528 (OUTLIER) cc_final: 0.8833 (mm-40) REVERT: D 2336 ARG cc_start: 0.8976 (OUTLIER) cc_final: 0.8561 (ttp-110) REVERT: D 2364 PHE cc_start: 0.7664 (OUTLIER) cc_final: 0.6955 (m-80) REVERT: D 2420 HIS cc_start: 0.8266 (OUTLIER) cc_final: 0.8058 (t70) REVERT: D 2458 ARG cc_start: 0.7823 (OUTLIER) cc_final: 0.7496 (tpt90) REVERT: D 2777 TYR cc_start: -0.1078 (OUTLIER) cc_final: -0.1392 (m-80) REVERT: D 2779 GLU cc_start: 0.1919 (OUTLIER) cc_final: 0.0547 (mt-10) REVERT: D 2809 ILE cc_start: -0.0661 (OUTLIER) cc_final: -0.0909 (mt) REVERT: D 3642 TYR cc_start: 0.7743 (OUTLIER) cc_final: 0.6654 (p90) REVERT: D 3643 ASN cc_start: 0.7442 (OUTLIER) cc_final: 0.7089 (p0) REVERT: D 3647 HIS cc_start: 0.8084 (OUTLIER) cc_final: 0.7478 (p90) REVERT: D 3663 LEU cc_start: 0.9255 (OUTLIER) cc_final: 0.9022 (mm) REVERT: D 3669 PHE cc_start: 0.8904 (OUTLIER) cc_final: 0.8443 (p90) REVERT: D 3677 LEU cc_start: 0.9259 (OUTLIER) cc_final: 0.8957 (tt) REVERT: D 3712 GLU cc_start: 0.8950 (OUTLIER) cc_final: 0.8638 (pm20) REVERT: D 3753 PHE cc_start: 0.8076 (OUTLIER) cc_final: 0.7778 (t80) REVERT: D 3805 LEU cc_start: 0.9468 (OUTLIER) cc_final: 0.9175 (pp) REVERT: D 3835 LEU cc_start: 0.9481 (OUTLIER) cc_final: 0.9147 (tt) REVERT: D 3886 ARG cc_start: 0.9261 (OUTLIER) cc_final: 0.8272 (tpt90) REVERT: D 3893 GLU cc_start: 0.9206 (OUTLIER) cc_final: 0.8906 (tp30) REVERT: D 4054 ASN cc_start: 0.9062 (OUTLIER) cc_final: 0.8462 (m-40) REVERT: D 4066 LEU cc_start: 0.9461 (OUTLIER) cc_final: 0.9184 (mp) REVERT: D 4097 MET cc_start: 0.8959 (OUTLIER) cc_final: 0.8534 (mpp) REVERT: D 4102 GLN cc_start: 0.8859 (OUTLIER) cc_final: 0.8458 (pt0) REVERT: D 4108 ILE cc_start: 0.9261 (OUTLIER) cc_final: 0.9022 (mm) REVERT: D 4132 PHE cc_start: 0.8644 (OUTLIER) cc_final: 0.8162 (m-10) REVERT: D 4142 ASN cc_start: 0.9566 (OUTLIER) cc_final: 0.8980 (t0) REVERT: D 4205 TRP cc_start: 0.9593 (OUTLIER) cc_final: 0.9248 (t-100) REVERT: D 4562 LEU cc_start: 0.9197 (OUTLIER) cc_final: 0.8906 (tt) REVERT: D 4563 ARG cc_start: 0.8969 (OUTLIER) cc_final: 0.8284 (tpt90) REVERT: D 4580 TYR cc_start: 0.9474 (OUTLIER) cc_final: 0.8068 (m-80) REVERT: D 4634 GLU cc_start: 0.7993 (OUTLIER) cc_final: 0.7359 (tt0) REVERT: D 4698 LYS cc_start: 0.7917 (OUTLIER) cc_final: 0.7707 (mmtt) REVERT: D 4736 ARG cc_start: 0.9173 (OUTLIER) cc_final: 0.8470 (mtp85) REVERT: D 4770 SER cc_start: 0.6981 (OUTLIER) cc_final: 0.6482 (p) REVERT: D 4796 MET cc_start: 0.8999 (OUTLIER) cc_final: 0.8496 (tmm) REVERT: D 4839 MET cc_start: 0.8821 (mmm) cc_final: 0.8596 (mmm) REVERT: D 4953 ASP cc_start: 0.8975 (OUTLIER) cc_final: 0.8595 (t0) REVERT: D 4957 LYS cc_start: 0.9021 (OUTLIER) cc_final: 0.8610 (mmtp) REVERT: D 5020 ASP cc_start: 0.9479 (OUTLIER) cc_final: 0.9224 (m-30) REVERT: B 15 ARG cc_start: 0.8481 (OUTLIER) cc_final: 0.8049 (mmp80) REVERT: B 50 GLU cc_start: 0.8639 (OUTLIER) cc_final: 0.7998 (tp30) REVERT: B 80 GLU cc_start: 0.8962 (OUTLIER) cc_final: 0.8292 (mp0) REVERT: B 150 MET cc_start: 0.8938 (OUTLIER) cc_final: 0.7495 (mpt) REVERT: B 159 GLU cc_start: 0.8830 (OUTLIER) cc_final: 0.8501 (tm-30) REVERT: B 210 GLU cc_start: 0.7938 (OUTLIER) cc_final: 0.7571 (pm20) REVERT: B 229 GLU cc_start: 0.7637 (OUTLIER) cc_final: 0.7291 (tt0) REVERT: B 243 ARG cc_start: 0.8548 (OUTLIER) cc_final: 0.7294 (mmm160) REVERT: B 248 GLU cc_start: 0.6770 (OUTLIER) cc_final: 0.6558 (mp0) REVERT: B 276 TRP cc_start: 0.7285 (OUTLIER) cc_final: 0.6953 (m100) REVERT: B 283 ARG cc_start: 0.8048 (OUTLIER) cc_final: 0.7265 (ttm170) REVERT: B 320 LYS cc_start: 0.4610 (OUTLIER) cc_final: 0.4374 (mmmt) REVERT: B 403 MET cc_start: 0.8869 (mtp) cc_final: 0.8616 (mtp) REVERT: B 419 ASP cc_start: 0.8574 (OUTLIER) cc_final: 0.8213 (m-30) REVERT: B 581 ASN cc_start: 0.8002 (OUTLIER) cc_final: 0.7733 (p0) REVERT: B 629 ARG cc_start: 0.8892 (OUTLIER) cc_final: 0.8674 (mtp85) REVERT: B 659 TYR cc_start: 0.5825 (OUTLIER) cc_final: 0.4895 (m-80) REVERT: B 662 TRP cc_start: 0.7404 (OUTLIER) cc_final: 0.7012 (m100) REVERT: B 663 TYR cc_start: 0.6587 (OUTLIER) cc_final: 0.6110 (t80) REVERT: B 683 ARG cc_start: 0.8259 (OUTLIER) cc_final: 0.5334 (mmt90) REVERT: B 700 GLU cc_start: 0.7808 (OUTLIER) cc_final: 0.7438 (mp0) REVERT: B 869 ARG cc_start: 0.6524 (OUTLIER) cc_final: 0.5395 (ptt-90) REVERT: B 870 ILE cc_start: 0.5997 (OUTLIER) cc_final: 0.4881 (mm) REVERT: B 893 TYR cc_start: 0.4878 (OUTLIER) cc_final: 0.4041 (p90) REVERT: B 944 GLU cc_start: 0.2221 (OUTLIER) cc_final: 0.1817 (tt0) REVERT: B 1036 ARG cc_start: 0.6774 (OUTLIER) cc_final: 0.5178 (tmt170) REVERT: B 1044 ARG cc_start: 0.3059 (OUTLIER) cc_final: 0.2216 (tpp80) REVERT: B 1110 ARG cc_start: 0.9114 (OUTLIER) cc_final: 0.8803 (ptp-110) REVERT: B 1120 LEU cc_start: 0.9414 (OUTLIER) cc_final: 0.9172 (mm) REVERT: B 1133 HIS cc_start: 0.9329 (OUTLIER) cc_final: 0.8704 (t-170) REVERT: B 1141 ARG cc_start: 0.8806 (OUTLIER) cc_final: 0.8051 (ptm160) REVERT: B 1152 MET cc_start: 0.8717 (OUTLIER) cc_final: 0.8497 (mtm) REVERT: B 1202 LEU cc_start: 0.9286 (OUTLIER) cc_final: 0.8888 (tp) REVERT: B 1232 ARG cc_start: 0.9098 (OUTLIER) cc_final: 0.8740 (ptt90) REVERT: B 1242 LEU cc_start: 0.9328 (OUTLIER) cc_final: 0.9092 (mp) REVERT: B 1255 TYR cc_start: 0.8854 (OUTLIER) cc_final: 0.7458 (m-80) REVERT: B 1630 CYS cc_start: 0.8475 (OUTLIER) cc_final: 0.8068 (p) REVERT: B 1652 GLU cc_start: 0.9491 (OUTLIER) cc_final: 0.9085 (tm-30) REVERT: B 1655 GLU cc_start: 0.8903 (OUTLIER) cc_final: 0.8030 (tm-30) REVERT: B 1671 ARG cc_start: 0.8753 (OUTLIER) cc_final: 0.8356 (mtm-85) REVERT: B 1703 LEU cc_start: 0.9608 (OUTLIER) cc_final: 0.9328 (mt) REVERT: B 1714 LEU cc_start: 0.9421 (OUTLIER) cc_final: 0.8957 (mp) REVERT: B 1727 ARG cc_start: 0.8735 (OUTLIER) cc_final: 0.8203 (tpp80) REVERT: B 1733 GLU cc_start: 0.8453 (OUTLIER) cc_final: 0.7893 (mp0) REVERT: B 1771 LEU cc_start: 0.9265 (OUTLIER) cc_final: 0.8854 (mp) REVERT: B 1813 ARG cc_start: 0.9237 (OUTLIER) cc_final: 0.8237 (ttp80) REVERT: B 1939 MET cc_start: 0.9128 (mmm) cc_final: 0.8862 (tpp) REVERT: B 1963 GLU cc_start: 0.8422 (OUTLIER) cc_final: 0.8113 (pp20) REVERT: B 1965 TYR cc_start: 0.8062 (OUTLIER) cc_final: 0.7560 (t80) REVERT: B 1973 GLN cc_start: 0.7553 (OUTLIER) cc_final: 0.7148 (tm-30) REVERT: B 2032 GLN cc_start: 0.8816 (OUTLIER) cc_final: 0.8434 (mm110) REVERT: B 2126 ARG cc_start: 0.9493 (OUTLIER) cc_final: 0.9216 (mtp85) REVERT: B 2178 MET cc_start: 0.8743 (tpp) cc_final: 0.8499 (tpp) REVERT: B 2191 PHE cc_start: 0.9146 (OUTLIER) cc_final: 0.8345 (t80) REVERT: B 2245 GLN cc_start: 0.9516 (OUTLIER) cc_final: 0.8820 (mm-40) REVERT: B 2292 GLU cc_start: 0.7364 (OUTLIER) cc_final: 0.6933 (pp20) REVERT: B 2336 ARG cc_start: 0.8951 (OUTLIER) cc_final: 0.8545 (ttp-110) REVERT: B 2364 PHE cc_start: 0.7717 (OUTLIER) cc_final: 0.6964 (m-80) REVERT: B 2420 HIS cc_start: 0.8269 (OUTLIER) cc_final: 0.8040 (t70) REVERT: B 2458 ARG cc_start: 0.7808 (OUTLIER) cc_final: 0.7479 (tpt90) REVERT: B 2751 LEU cc_start: 0.6175 (OUTLIER) cc_final: 0.5882 (tt) REVERT: B 2777 TYR cc_start: -0.1075 (OUTLIER) cc_final: -0.1392 (m-80) REVERT: B 2779 GLU cc_start: 0.1982 (OUTLIER) cc_final: 0.0586 (mt-10) REVERT: B 2799 GLU cc_start: 0.0658 (OUTLIER) cc_final: 0.0393 (tp30) REVERT: B 2811 GLU cc_start: 0.3091 (OUTLIER) cc_final: 0.2217 (mm-30) REVERT: B 2939 ARG cc_start: 0.5357 (mtt180) cc_final: 0.5062 (mtt180) REVERT: B 3642 TYR cc_start: 0.7734 (OUTLIER) cc_final: 0.6644 (p90) REVERT: B 3643 ASN cc_start: 0.7453 (OUTLIER) cc_final: 0.7115 (p0) REVERT: B 3647 HIS cc_start: 0.8070 (OUTLIER) cc_final: 0.7477 (p90) REVERT: B 3663 LEU cc_start: 0.9255 (OUTLIER) cc_final: 0.9030 (mm) REVERT: B 3669 PHE cc_start: 0.8856 (OUTLIER) cc_final: 0.8254 (p90) REVERT: B 3672 ARG cc_start: 0.8902 (OUTLIER) cc_final: 0.8515 (ttp80) REVERT: B 3712 GLU cc_start: 0.8947 (OUTLIER) cc_final: 0.8600 (pm20) REVERT: B 3753 PHE cc_start: 0.8036 (OUTLIER) cc_final: 0.7717 (t80) REVERT: B 3805 LEU cc_start: 0.9479 (OUTLIER) cc_final: 0.9180 (pp) REVERT: B 3835 LEU cc_start: 0.9491 (OUTLIER) cc_final: 0.9161 (tt) REVERT: B 3886 ARG cc_start: 0.9272 (OUTLIER) cc_final: 0.8291 (tpt90) REVERT: B 3893 GLU cc_start: 0.9210 (OUTLIER) cc_final: 0.8914 (tp30) REVERT: B 4039 MET cc_start: 0.7955 (OUTLIER) cc_final: 0.7722 (ppp) REVERT: B 4054 ASN cc_start: 0.9056 (OUTLIER) cc_final: 0.8458 (m-40) REVERT: B 4066 LEU cc_start: 0.9465 (OUTLIER) cc_final: 0.9174 (mp) REVERT: B 4071 ILE cc_start: 0.9350 (OUTLIER) cc_final: 0.9127 (tt) REVERT: B 4097 MET cc_start: 0.8990 (OUTLIER) cc_final: 0.8509 (mpp) REVERT: B 4102 GLN cc_start: 0.8864 (OUTLIER) cc_final: 0.8442 (pt0) REVERT: B 4108 ILE cc_start: 0.9226 (OUTLIER) cc_final: 0.8968 (mm) REVERT: B 4132 PHE cc_start: 0.8636 (OUTLIER) cc_final: 0.8177 (m-10) REVERT: B 4142 ASN cc_start: 0.9558 (OUTLIER) cc_final: 0.8943 (t0) REVERT: B 4205 TRP cc_start: 0.9574 (OUTLIER) cc_final: 0.9173 (t-100) REVERT: B 4562 LEU cc_start: 0.9195 (OUTLIER) cc_final: 0.8903 (tt) REVERT: B 4563 ARG cc_start: 0.8966 (OUTLIER) cc_final: 0.8287 (tpt90) REVERT: B 4580 TYR cc_start: 0.9459 (OUTLIER) cc_final: 0.8043 (m-80) REVERT: B 4634 GLU cc_start: 0.7943 (OUTLIER) cc_final: 0.7299 (tt0) REVERT: B 4736 ARG cc_start: 0.9176 (OUTLIER) cc_final: 0.8474 (mtp85) REVERT: B 4770 SER cc_start: 0.6987 (OUTLIER) cc_final: 0.6487 (p) REVERT: B 4839 MET cc_start: 0.8799 (mmm) cc_final: 0.8571 (mmm) REVERT: B 4953 ASP cc_start: 0.8956 (OUTLIER) cc_final: 0.8597 (t0) REVERT: B 5020 ASP cc_start: 0.9469 (OUTLIER) cc_final: 0.9201 (m-30) outliers start: 2830 outliers final: 2152 residues processed: 3231 average time/residue: 0.9137 time to fit residues: 5243.9304 Evaluate side-chains 3067 residues out of total 11248 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2514 poor density : 553 time to evaluate : 8.729 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 13 PHE Chi-restraints excluded: chain A residue 17 ASP Chi-restraints excluded: chain A residue 20 VAL Chi-restraints excluded: chain A residue 21 VAL Chi-restraints excluded: chain A residue 24 CYS Chi-restraints excluded: chain A residue 28 VAL Chi-restraints excluded: chain A residue 37 LEU Chi-restraints excluded: chain A residue 49 LEU Chi-restraints excluded: chain A residue 50 GLU Chi-restraints excluded: chain A residue 57 ASN Chi-restraints excluded: chain A residue 58 VAL Chi-restraints excluded: chain A residue 64 ILE Chi-restraints excluded: chain A residue 68 THR Chi-restraints excluded: chain A residue 71 GLN Chi-restraints excluded: chain A residue 74 SER Chi-restraints excluded: chain A residue 75 VAL Chi-restraints excluded: chain A residue 80 GLU Chi-restraints excluded: chain A residue 81 MET Chi-restraints excluded: chain A residue 82 LEU Chi-restraints excluded: chain A residue 107 ILE Chi-restraints excluded: chain A residue 109 LEU Chi-restraints excluded: chain A residue 111 HIS Chi-restraints excluded: chain A residue 114 SER Chi-restraints excluded: chain A residue 115 ARG Chi-restraints excluded: chain A residue 119 SER Chi-restraints excluded: chain A residue 124 SER Chi-restraints excluded: chain A residue 131 LEU Chi-restraints excluded: chain A residue 138 GLN Chi-restraints excluded: chain A residue 144 GLU Chi-restraints excluded: chain A residue 149 THR Chi-restraints excluded: chain A residue 150 MET Chi-restraints excluded: chain A residue 151 HIS Chi-restraints excluded: chain A residue 154 SER Chi-restraints excluded: chain A residue 159 GLU Chi-restraints excluded: chain A residue 161 GLU Chi-restraints excluded: chain A residue 162 LYS Chi-restraints excluded: chain A residue 163 VAL Chi-restraints excluded: chain A residue 164 ARG Chi-restraints excluded: chain A residue 165 VAL Chi-restraints excluded: chain A residue 167 ASP Chi-restraints excluded: chain A residue 170 ILE Chi-restraints excluded: chain A residue 173 SER Chi-restraints excluded: chain A residue 174 VAL Chi-restraints excluded: chain A residue 189 LEU Chi-restraints excluded: chain A residue 192 ASP Chi-restraints excluded: chain A residue 194 SER Chi-restraints excluded: chain A residue 206 CYS Chi-restraints excluded: chain A residue 211 GLU Chi-restraints excluded: chain A residue 215 THR Chi-restraints excluded: chain A residue 219 VAL Chi-restraints excluded: chain A residue 222 LEU Chi-restraints excluded: chain A residue 226 HIS Chi-restraints excluded: chain A residue 229 GLU Chi-restraints excluded: chain A residue 232 THR Chi-restraints excluded: chain A residue 240 ASP Chi-restraints excluded: chain A residue 243 ARG Chi-restraints excluded: chain A residue 248 GLU Chi-restraints excluded: chain A residue 258 SER Chi-restraints excluded: chain A residue 260 TRP Chi-restraints excluded: chain A residue 262 LEU Chi-restraints excluded: chain A residue 267 ILE Chi-restraints excluded: chain A residue 268 SER Chi-restraints excluded: chain A residue 275 ARG Chi-restraints excluded: chain A residue 276 TRP Chi-restraints excluded: chain A residue 278 GLN Chi-restraints excluded: chain A residue 281 ARG Chi-restraints excluded: chain A residue 283 ARG Chi-restraints excluded: chain A residue 285 VAL Chi-restraints excluded: chain A residue 286 THR Chi-restraints excluded: chain A residue 287 THR Chi-restraints excluded: chain A residue 299 LEU Chi-restraints excluded: chain A residue 300 VAL Chi-restraints excluded: chain A residue 302 VAL Chi-restraints excluded: chain A residue 303 ASP Chi-restraints excluded: chain A residue 312 THR Chi-restraints excluded: chain A residue 313 SER Chi-restraints excluded: chain A residue 318 VAL Chi-restraints excluded: chain A residue 343 GLU Chi-restraints excluded: chain A residue 345 LEU Chi-restraints excluded: chain A residue 348 VAL Chi-restraints excluded: chain A residue 357 LEU Chi-restraints excluded: chain A residue 358 THR Chi-restraints excluded: chain A residue 359 TYR Chi-restraints excluded: chain A residue 373 LYS Chi-restraints excluded: chain A residue 381 GLU Chi-restraints excluded: chain A residue 389 PHE Chi-restraints excluded: chain A residue 390 LEU Chi-restraints excluded: chain A residue 396 GLU Chi-restraints excluded: chain A residue 419 ASP Chi-restraints excluded: chain A residue 422 SER Chi-restraints excluded: chain A residue 424 LYS Chi-restraints excluded: chain A residue 436 LEU Chi-restraints excluded: chain A residue 444 SER Chi-restraints excluded: chain A residue 453 GLU Chi-restraints excluded: chain A residue 455 PRO Chi-restraints excluded: chain A residue 456 SER Chi-restraints excluded: chain A residue 457 GLU Chi-restraints excluded: chain A residue 459 LEU Chi-restraints excluded: chain A residue 469 ARG Chi-restraints excluded: chain A residue 470 SER Chi-restraints excluded: chain A residue 472 ARG Chi-restraints excluded: chain A residue 477 LEU Chi-restraints excluded: chain A residue 478 PHE Chi-restraints excluded: chain A residue 483 MET Chi-restraints excluded: chain A residue 487 VAL Chi-restraints excluded: chain A residue 488 LEU Chi-restraints excluded: chain A residue 494 LEU Chi-restraints excluded: chain A residue 497 TYR Chi-restraints excluded: chain A residue 498 THR Chi-restraints excluded: chain A residue 499 THR Chi-restraints excluded: chain A residue 503 PHE Chi-restraints excluded: chain A residue 510 GLU Chi-restraints excluded: chain A residue 514 SER Chi-restraints excluded: chain A residue 517 GLU Chi-restraints excluded: chain A residue 520 ASN Chi-restraints excluded: chain A residue 524 GLU Chi-restraints excluded: chain A residue 526 LEU Chi-restraints excluded: chain A residue 534 ARG Chi-restraints excluded: chain A residue 537 CYS Chi-restraints excluded: chain A residue 542 THR Chi-restraints excluded: chain A residue 549 SER Chi-restraints excluded: chain A residue 553 ARG Chi-restraints excluded: chain A residue 554 LEU Chi-restraints excluded: chain A residue 557 SER Chi-restraints excluded: chain A residue 566 CYS Chi-restraints excluded: chain A residue 569 ILE Chi-restraints excluded: chain A residue 570 GLU Chi-restraints excluded: chain A residue 573 GLU Chi-restraints excluded: chain A residue 578 ILE Chi-restraints excluded: chain A residue 581 ASN Chi-restraints excluded: chain A residue 587 ILE Chi-restraints excluded: chain A residue 590 LEU Chi-restraints excluded: chain A residue 600 LEU Chi-restraints excluded: chain A residue 608 VAL Chi-restraints excluded: chain A residue 614 VAL Chi-restraints excluded: chain A residue 616 SER Chi-restraints excluded: chain A residue 622 THR Chi-restraints excluded: chain A residue 626 LEU Chi-restraints excluded: chain A residue 634 GLN Chi-restraints excluded: chain A residue 637 LEU Chi-restraints excluded: chain A residue 641 VAL Chi-restraints excluded: chain A residue 643 SER Chi-restraints excluded: chain A residue 648 ILE Chi-restraints excluded: chain A residue 650 VAL Chi-restraints excluded: chain A residue 652 ARG Chi-restraints excluded: chain A residue 659 TYR Chi-restraints excluded: chain A residue 661 LYS Chi-restraints excluded: chain A residue 662 TRP Chi-restraints excluded: chain A residue 663 TYR Chi-restraints excluded: chain A residue 668 VAL Chi-restraints excluded: chain A residue 669 ASP 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 692 TYR Chi-restraints excluded: chain A residue 700 GLU Chi-restraints excluded: chain A residue 707 VAL Chi-restraints excluded: chain A residue 710 ASP Chi-restraints excluded: chain A residue 716 PHE Chi-restraints excluded: chain A residue 719 LEU Chi-restraints excluded: chain A residue 720 HIS Chi-restraints excluded: chain A residue 723 THR Chi-restraints excluded: chain A residue 726 VAL Chi-restraints excluded: chain A residue 730 VAL Chi-restraints excluded: chain A residue 735 GLN Chi-restraints excluded: chain A residue 737 LEU Chi-restraints excluded: chain A residue 744 VAL Chi-restraints excluded: chain A residue 751 SER Chi-restraints excluded: chain A residue 752 VAL Chi-restraints excluded: chain A residue 754 SER Chi-restraints excluded: chain A residue 758 ARG Chi-restraints excluded: chain A residue 776 LEU Chi-restraints excluded: chain A residue 780 VAL Chi-restraints excluded: chain A residue 784 SER Chi-restraints excluded: chain A residue 788 LYS Chi-restraints excluded: chain A residue 790 ARG Chi-restraints excluded: chain A residue 791 PHE Chi-restraints excluded: chain A residue 793 LEU Chi-restraints excluded: chain A residue 800 PHE Chi-restraints excluded: chain A residue 803 LEU Chi-restraints excluded: chain A residue 811 CYS Chi-restraints excluded: chain A residue 812 HIS Chi-restraints excluded: chain A residue 818 ARG Chi-restraints excluded: chain A residue 835 ARG Chi-restraints excluded: chain A residue 840 VAL Chi-restraints excluded: chain A residue 850 ASP Chi-restraints excluded: chain A residue 867 LEU Chi-restraints excluded: chain A residue 868 GLU Chi-restraints excluded: chain A residue 869 ARG Chi-restraints excluded: chain A residue 870 ILE Chi-restraints excluded: chain A residue 884 LEU Chi-restraints excluded: chain A residue 887 ILE Chi-restraints excluded: chain A residue 891 TRP Chi-restraints excluded: chain A residue 893 TYR Chi-restraints excluded: chain A residue 907 LEU Chi-restraints excluded: chain A residue 939 VAL Chi-restraints excluded: chain A residue 974 HIS Chi-restraints excluded: chain A residue 978 THR Chi-restraints excluded: chain A residue 1034 SER Chi-restraints excluded: chain A residue 1036 ARG Chi-restraints excluded: chain A residue 1037 ASP Chi-restraints excluded: chain A residue 1044 ARG Chi-restraints excluded: chain A residue 1046 LEU Chi-restraints excluded: chain A residue 1076 ARG Chi-restraints excluded: chain A residue 1079 LYS Chi-restraints excluded: chain A residue 1080 SER Chi-restraints excluded: chain A residue 1082 THR Chi-restraints excluded: chain A residue 1083 VAL Chi-restraints excluded: chain A residue 1099 GLU Chi-restraints excluded: chain A residue 1102 VAL Chi-restraints excluded: chain A residue 1110 ARG Chi-restraints excluded: chain A residue 1112 ASP Chi-restraints excluded: chain A residue 1113 VAL Chi-restraints excluded: chain A residue 1120 LEU Chi-restraints excluded: chain A residue 1123 VAL Chi-restraints excluded: chain A residue 1133 HIS Chi-restraints excluded: chain A residue 1134 LEU Chi-restraints excluded: chain A residue 1139 PHE Chi-restraints excluded: chain A residue 1141 ARG Chi-restraints excluded: chain A residue 1148 VAL Chi-restraints excluded: chain A residue 1149 VAL Chi-restraints excluded: chain A residue 1152 MET Chi-restraints excluded: chain A residue 1153 ILE Chi-restraints excluded: chain A residue 1154 ASP Chi-restraints excluded: chain A residue 1159 THR Chi-restraints excluded: chain A residue 1164 LEU Chi-restraints excluded: chain A residue 1179 PHE Chi-restraints excluded: chain A residue 1184 ILE Chi-restraints excluded: chain A residue 1191 VAL Chi-restraints excluded: chain A residue 1193 SER Chi-restraints excluded: chain A residue 1198 GLN Chi-restraints excluded: chain A residue 1201 HIS 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 1210 SER Chi-restraints excluded: chain A residue 1214 PHE Chi-restraints excluded: chain A residue 1230 MET Chi-restraints excluded: chain A residue 1232 ARG Chi-restraints excluded: chain A residue 1234 VAL Chi-restraints excluded: chain A residue 1238 PHE Chi-restraints excluded: chain A residue 1239 SER Chi-restraints excluded: chain A residue 1241 SER Chi-restraints excluded: chain A residue 1242 LEU Chi-restraints excluded: chain A residue 1255 TYR Chi-restraints excluded: chain A residue 1260 MET Chi-restraints excluded: chain A residue 1266 THR Chi-restraints excluded: chain A residue 1574 PRO 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 1608 MET Chi-restraints excluded: chain A residue 1612 PHE Chi-restraints excluded: chain A residue 1635 THR Chi-restraints excluded: chain A residue 1637 MET Chi-restraints excluded: chain A residue 1639 LEU Chi-restraints excluded: chain A residue 1647 CYS Chi-restraints excluded: chain A residue 1648 MET Chi-restraints excluded: chain A residue 1652 GLU Chi-restraints excluded: chain A residue 1653 LEU Chi-restraints excluded: chain A residue 1655 GLU Chi-restraints excluded: chain A residue 1656 ARG Chi-restraints excluded: chain A residue 1664 SER Chi-restraints excluded: chain A residue 1666 THR Chi-restraints excluded: chain A residue 1671 ARG Chi-restraints excluded: chain A residue 1681 VAL Chi-restraints excluded: chain A residue 1687 SER Chi-restraints excluded: chain A residue 1693 GLN Chi-restraints excluded: chain A residue 1695 LEU Chi-restraints excluded: chain A residue 1700 ASP Chi-restraints excluded: chain A residue 1702 HIS Chi-restraints excluded: chain A residue 1703 LEU Chi-restraints excluded: chain A residue 1706 PRO Chi-restraints excluded: chain A residue 1714 LEU Chi-restraints excluded: chain A residue 1716 ILE Chi-restraints excluded: chain A residue 1717 SER Chi-restraints excluded: chain A residue 1720 LEU Chi-restraints excluded: chain A residue 1721 GLU Chi-restraints excluded: chain A residue 1724 CYS Chi-restraints excluded: chain A residue 1727 ARG Chi-restraints excluded: chain A residue 1729 SER Chi-restraints excluded: chain A residue 1730 MET Chi-restraints excluded: chain A residue 1731 LEU Chi-restraints excluded: chain A residue 1733 GLU Chi-restraints excluded: chain A residue 1736 VAL Chi-restraints excluded: chain A residue 1742 THR Chi-restraints excluded: chain A residue 1745 ILE Chi-restraints excluded: chain A residue 1768 THR Chi-restraints excluded: chain A residue 1769 THR Chi-restraints excluded: chain A residue 1770 SER Chi-restraints excluded: chain A residue 1797 ARG Chi-restraints excluded: chain A residue 1798 LEU Chi-restraints excluded: chain A residue 1802 ILE Chi-restraints excluded: chain A residue 1817 GLU Chi-restraints excluded: chain A residue 1830 VAL Chi-restraints excluded: chain A residue 1833 SER Chi-restraints excluded: chain A residue 1834 VAL Chi-restraints excluded: chain A residue 1845 VAL Chi-restraints excluded: chain A residue 1847 THR Chi-restraints excluded: chain A residue 1850 VAL Chi-restraints excluded: chain A residue 1862 ILE Chi-restraints excluded: chain A residue 1865 MET Chi-restraints excluded: chain A residue 1935 VAL Chi-restraints excluded: chain A residue 1947 CYS Chi-restraints excluded: chain A residue 1950 GLU Chi-restraints excluded: chain A residue 1953 HIS Chi-restraints excluded: chain A residue 1955 VAL Chi-restraints excluded: chain A residue 1963 GLU Chi-restraints excluded: chain A residue 1965 TYR Chi-restraints excluded: chain A residue 1969 LEU Chi-restraints excluded: chain A residue 1973 GLN Chi-restraints excluded: chain A residue 1980 LEU Chi-restraints excluded: chain A residue 2006 ILE Chi-restraints excluded: chain A residue 2010 LEU Chi-restraints excluded: chain A residue 2011 HIS Chi-restraints excluded: chain A residue 2027 ILE Chi-restraints excluded: chain A residue 2031 LEU Chi-restraints excluded: chain A residue 2032 GLN Chi-restraints excluded: chain A residue 2039 LEU Chi-restraints excluded: chain A residue 2041 HIS Chi-restraints excluded: chain A residue 2097 LEU Chi-restraints excluded: chain A residue 2098 VAL Chi-restraints excluded: chain A residue 2099 SER Chi-restraints excluded: chain A residue 2103 VAL Chi-restraints excluded: chain A residue 2117 VAL Chi-restraints excluded: chain A residue 2122 SER Chi-restraints excluded: chain A residue 2125 HIS Chi-restraints excluded: chain A residue 2126 ARG Chi-restraints excluded: chain A residue 2128 TYR Chi-restraints excluded: chain A residue 2140 ARG Chi-restraints excluded: chain A residue 2148 SER Chi-restraints excluded: chain A residue 2152 THR Chi-restraints excluded: chain A residue 2162 ILE Chi-restraints excluded: chain A residue 2164 SER Chi-restraints excluded: chain A residue 2166 LEU Chi-restraints excluded: chain A residue 2167 ILE Chi-restraints excluded: chain A residue 2172 PRO Chi-restraints excluded: chain A residue 2187 ASN Chi-restraints excluded: chain A residue 2191 PHE Chi-restraints excluded: chain A residue 2192 TYR Chi-restraints excluded: chain A residue 2194 HIS Chi-restraints excluded: chain A residue 2198 MET Chi-restraints excluded: chain A residue 2203 MET Chi-restraints excluded: chain A residue 2210 VAL Chi-restraints excluded: chain A residue 2215 LEU Chi-restraints excluded: chain A residue 2223 ILE Chi-restraints excluded: chain A residue 2240 CYS Chi-restraints excluded: chain A residue 2243 SER Chi-restraints excluded: chain A residue 2245 GLN Chi-restraints excluded: chain A residue 2246 ASN Chi-restraints excluded: chain A residue 2249 SER Chi-restraints excluded: chain A residue 2253 HIS Chi-restraints excluded: chain A residue 2273 LEU Chi-restraints excluded: chain A residue 2274 ASP Chi-restraints excluded: chain A residue 2275 VAL Chi-restraints excluded: chain A residue 2279 SER Chi-restraints excluded: chain A residue 2281 ILE Chi-restraints excluded: chain A residue 2286 LEU Chi-restraints excluded: chain A residue 2290 LEU Chi-restraints excluded: chain A residue 2291 GLN Chi-restraints excluded: chain A residue 2292 GLU Chi-restraints excluded: chain A residue 2299 VAL Chi-restraints excluded: chain A residue 2300 SER Chi-restraints excluded: chain A residue 2301 TYR Chi-restraints excluded: chain A residue 2302 LEU Chi-restraints excluded: chain A residue 2336 ARG Chi-restraints excluded: chain A residue 2339 VAL Chi-restraints excluded: chain A residue 2341 VAL Chi-restraints excluded: chain A residue 2364 PHE Chi-restraints excluded: chain A residue 2418 LEU Chi-restraints excluded: chain A residue 2420 HIS Chi-restraints excluded: chain A residue 2438 PRO Chi-restraints excluded: chain A residue 2442 LEU Chi-restraints excluded: chain A residue 2443 ILE Chi-restraints excluded: chain A residue 2451 LEU Chi-restraints excluded: chain A residue 2456 ILE Chi-restraints excluded: chain A residue 2457 LEU Chi-restraints excluded: chain A residue 2458 ARG Chi-restraints excluded: chain A residue 2460 LEU Chi-restraints excluded: chain A residue 2470 ILE Chi-restraints excluded: chain A residue 2472 LEU Chi-restraints excluded: chain A residue 2742 THR Chi-restraints excluded: chain A residue 2752 ASP Chi-restraints excluded: chain A residue 2761 TYR Chi-restraints excluded: chain A residue 2762 THR Chi-restraints excluded: chain A residue 2777 TYR Chi-restraints excluded: chain A residue 2779 GLU Chi-restraints excluded: chain A residue 2791 LEU Chi-restraints excluded: chain A residue 2799 GLU Chi-restraints excluded: chain A residue 2806 ARG Chi-restraints excluded: chain A residue 2807 TRP Chi-restraints excluded: chain A residue 2809 ILE Chi-restraints excluded: chain A residue 2811 GLU Chi-restraints excluded: chain A residue 2812 SER Chi-restraints excluded: chain A residue 2869 ARG Chi-restraints excluded: chain A residue 2872 GLN Chi-restraints excluded: chain A residue 2882 TYR Chi-restraints excluded: chain A residue 2883 HIS Chi-restraints excluded: chain A residue 2889 LYS Chi-restraints excluded: chain A residue 2892 GLN Chi-restraints excluded: chain A residue 2894 LEU Chi-restraints excluded: chain A residue 2895 GLU Chi-restraints excluded: chain A residue 2901 THR Chi-restraints excluded: chain A residue 2906 VAL Chi-restraints excluded: chain A residue 2912 THR Chi-restraints excluded: chain A residue 2932 MET Chi-restraints excluded: chain A residue 3641 LEU Chi-restraints excluded: chain A residue 3642 TYR Chi-restraints excluded: chain A residue 3643 ASN Chi-restraints excluded: chain A residue 3647 HIS Chi-restraints excluded: chain A residue 3648 ARG Chi-restraints excluded: chain A residue 3656 SER Chi-restraints excluded: chain A residue 3657 TYR Chi-restraints excluded: chain A residue 3658 LYS Chi-restraints excluded: chain A residue 3661 TRP Chi-restraints excluded: chain A residue 3663 LEU Chi-restraints excluded: chain A residue 3664 THR Chi-restraints excluded: chain A residue 3669 PHE Chi-restraints excluded: chain A residue 3672 ARG Chi-restraints excluded: chain A residue 3674 ILE Chi-restraints excluded: chain A residue 3678 SER Chi-restraints excluded: chain A residue 3696 ASP Chi-restraints excluded: chain A residue 3703 LEU Chi-restraints excluded: chain A residue 3706 SER Chi-restraints excluded: chain A residue 3708 THR Chi-restraints excluded: chain A residue 3710 LEU Chi-restraints excluded: chain A residue 3711 THR Chi-restraints excluded: chain A residue 3712 GLU Chi-restraints excluded: chain A residue 3727 ASP Chi-restraints excluded: chain A residue 3733 CYS Chi-restraints excluded: chain A residue 3751 VAL Chi-restraints excluded: chain A residue 3752 SER Chi-restraints excluded: chain A residue 3753 PHE Chi-restraints excluded: chain A residue 3761 GLN Chi-restraints excluded: chain A residue 3762 ARG Chi-restraints excluded: chain A residue 3764 LEU Chi-restraints excluded: chain A residue 3768 SER Chi-restraints excluded: chain A residue 3790 THR Chi-restraints excluded: chain A residue 3794 VAL Chi-restraints excluded: chain A residue 3795 SER Chi-restraints excluded: chain A residue 3803 SER Chi-restraints excluded: chain A residue 3804 ILE Chi-restraints excluded: chain A residue 3805 LEU Chi-restraints excluded: chain A residue 3809 ASN Chi-restraints excluded: chain A residue 3822 ASP Chi-restraints excluded: chain A residue 3825 GLU Chi-restraints excluded: chain A residue 3830 GLN Chi-restraints excluded: chain A residue 3832 ILE Chi-restraints excluded: chain A residue 3835 LEU Chi-restraints excluded: chain A residue 3836 MET Chi-restraints excluded: chain A residue 3838 THR Chi-restraints excluded: chain A residue 3842 LEU Chi-restraints excluded: chain A residue 3886 ARG Chi-restraints excluded: chain A residue 3890 LEU Chi-restraints excluded: chain A residue 3892 CYS Chi-restraints excluded: chain A residue 3899 PHE Chi-restraints excluded: chain A residue 3905 THR Chi-restraints excluded: chain A residue 3907 THR Chi-restraints excluded: chain A residue 3910 THR Chi-restraints excluded: chain A residue 3911 THR Chi-restraints excluded: chain A residue 3913 ILE Chi-restraints excluded: chain A residue 3919 THR Chi-restraints excluded: chain A residue 3920 VAL Chi-restraints excluded: chain A residue 3930 ILE Chi-restraints excluded: chain A residue 3938 SER Chi-restraints excluded: chain A residue 3950 ASN Chi-restraints excluded: chain A residue 3952 SER Chi-restraints excluded: chain A residue 3964 SER Chi-restraints excluded: chain A residue 3966 THR Chi-restraints excluded: chain A residue 3973 CYS Chi-restraints excluded: chain A residue 3974 THR Chi-restraints excluded: chain A residue 3979 SER Chi-restraints excluded: chain A residue 3984 ARG Chi-restraints excluded: chain A residue 4021 LYS Chi-restraints excluded: chain A residue 4035 VAL Chi-restraints excluded: chain A residue 4040 ILE Chi-restraints excluded: chain A residue 4045 VAL Chi-restraints excluded: chain A residue 4052 SER Chi-restraints excluded: chain A residue 4053 SER Chi-restraints excluded: chain A residue 4054 ASN Chi-restraints excluded: chain A residue 4066 LEU Chi-restraints excluded: chain A residue 4071 ILE Chi-restraints excluded: chain A residue 4072 VAL Chi-restraints excluded: chain A residue 4074 SER Chi-restraints excluded: chain A residue 4081 VAL Chi-restraints excluded: chain A residue 4082 THR Chi-restraints excluded: chain A residue 4083 ASP Chi-restraints excluded: chain A residue 4088 ILE Chi-restraints excluded: chain A residue 4092 ASP Chi-restraints excluded: chain A residue 4097 MET Chi-restraints excluded: chain A residue 4098 ASP Chi-restraints excluded: chain A residue 4100 GLN Chi-restraints excluded: chain A residue 4102 GLN Chi-restraints excluded: chain A residue 4104 THR Chi-restraints excluded: chain A residue 4108 ILE Chi-restraints excluded: chain A residue 4113 SER Chi-restraints excluded: chain A residue 4114 CYS Chi-restraints excluded: chain A residue 4115 SER Chi-restraints excluded: chain A residue 4116 GLU Chi-restraints excluded: chain A residue 4118 ASP Chi-restraints excluded: chain A residue 4119 GLU 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 4132 PHE Chi-restraints excluded: chain A residue 4142 ASN Chi-restraints excluded: chain A residue 4151 SER Chi-restraints excluded: chain A residue 4152 GLU Chi-restraints excluded: chain A residue 4161 ARG Chi-restraints excluded: chain A residue 4166 LEU Chi-restraints excluded: chain A residue 4168 GLU Chi-restraints excluded: chain A residue 4170 ILE Chi-restraints excluded: chain A residue 4180 ARG Chi-restraints excluded: chain A residue 4182 GLU Chi-restraints excluded: chain A residue 4183 ILE Chi-restraints excluded: chain A residue 4187 SER Chi-restraints excluded: chain A residue 4190 ILE Chi-restraints excluded: chain A residue 4192 ARG Chi-restraints excluded: chain A residue 4196 GLU Chi-restraints excluded: chain A residue 4197 ILE Chi-restraints excluded: chain A residue 4199 GLU Chi-restraints excluded: chain A residue 4205 TRP Chi-restraints excluded: chain A residue 4213 SER Chi-restraints excluded: chain A residue 4217 PHE Chi-restraints excluded: chain A residue 4221 VAL Chi-restraints excluded: chain A residue 4236 SER Chi-restraints excluded: chain A residue 4241 THR Chi-restraints excluded: chain A residue 4246 GLN Chi-restraints excluded: chain A residue 4251 ILE Chi-restraints excluded: chain A residue 4549 VAL Chi-restraints excluded: chain A residue 4552 LEU Chi-restraints excluded: chain A residue 4553 ASN Chi-restraints excluded: chain A residue 4561 THR Chi-restraints excluded: chain A residue 4562 LEU Chi-restraints excluded: chain A residue 4563 ARG Chi-restraints excluded: chain A residue 4569 LEU Chi-restraints excluded: chain A residue 4571 PHE Chi-restraints excluded: chain A residue 4573 ILE Chi-restraints excluded: chain A residue 4574 ASN Chi-restraints excluded: chain A residue 4580 TYR Chi-restraints excluded: chain A residue 4628 VAL Chi-restraints excluded: chain A residue 4631 PHE Chi-restraints excluded: chain A residue 4632 LEU Chi-restraints excluded: chain A residue 4639 MET Chi-restraints excluded: chain A residue 4643 LEU Chi-restraints excluded: chain A residue 4647 SER Chi-restraints excluded: chain A residue 4648 LEU Chi-restraints excluded: chain A residue 4651 THR Chi-restraints excluded: chain A residue 4655 PHE Chi-restraints excluded: chain A residue 4670 ILE Chi-restraints excluded: chain A residue 4676 GLU Chi-restraints excluded: chain A residue 4681 LEU Chi-restraints excluded: chain A residue 4688 ILE Chi-restraints excluded: chain A residue 4695 ASP Chi-restraints excluded: chain A residue 4722 ARG Chi-restraints excluded: chain A residue 4723 LYS Chi-restraints excluded: chain A residue 4724 VAL Chi-restraints excluded: chain A residue 4728 HIS Chi-restraints excluded: chain A residue 4736 ARG Chi-restraints excluded: chain A residue 4741 LEU Chi-restraints excluded: chain A residue 4743 MET Chi-restraints excluded: chain A residue 4744 ASP Chi-restraints excluded: chain A residue 4751 THR Chi-restraints excluded: chain A residue 4765 LEU Chi-restraints excluded: chain A residue 4768 LEU Chi-restraints excluded: chain A residue 4770 SER Chi-restraints excluded: chain A residue 4773 VAL Chi-restraints excluded: chain A residue 4782 VAL Chi-restraints excluded: chain A residue 4788 SER Chi-restraints excluded: chain A residue 4797 VAL Chi-restraints excluded: chain A residue 4799 SER Chi-restraints excluded: chain A residue 4803 HIS Chi-restraints excluded: chain A residue 4804 TYR Chi-restraints excluded: chain A residue 4818 MET Chi-restraints excluded: chain A residue 4822 THR Chi-restraints excluded: chain A residue 4827 LEU Chi-restraints excluded: chain A residue 4828 SER Chi-restraints excluded: chain A residue 4831 THR Chi-restraints excluded: chain A residue 4840 THR Chi-restraints excluded: chain A residue 4852 THR Chi-restraints excluded: chain A residue 4856 PHE Chi-restraints excluded: chain A residue 4858 PHE Chi-restraints excluded: chain A residue 4860 ARG Chi-restraints excluded: chain A residue 4861 LYS Chi-restraints excluded: chain A residue 4865 LYS Chi-restraints excluded: chain A residue 4869 GLU Chi-restraints excluded: chain A residue 4870 ASP Chi-restraints excluded: chain A residue 4871 GLU Chi-restraints excluded: chain A residue 4873 ASP Chi-restraints excluded: chain A residue 4875 LYS Chi-restraints excluded: chain A residue 4879 MET Chi-restraints excluded: chain A residue 4881 THR Chi-restraints excluded: chain A residue 4887 MET Chi-restraints excluded: chain A residue 4888 TYR Chi-restraints excluded: chain A residue 4891 VAL Chi-restraints excluded: chain A residue 4910 GLU Chi-restraints excluded: chain A residue 4913 ARG Chi-restraints excluded: chain A residue 4915 VAL Chi-restraints excluded: chain A residue 4919 THR Chi-restraints excluded: chain A residue 4925 ILE Chi-restraints excluded: chain A residue 4928 LEU Chi-restraints excluded: chain A residue 4937 ILE Chi-restraints excluded: chain A residue 4938 ASP Chi-restraints excluded: chain A residue 4943 LEU Chi-restraints excluded: chain A residue 4947 GLN Chi-restraints excluded: chain A residue 4950 VAL Chi-restraints excluded: chain A residue 4952 GLU Chi-restraints excluded: chain A residue 4953 ASP Chi-restraints excluded: chain A residue 4957 LYS Chi-restraints excluded: chain A residue 4961 CYS Chi-restraints excluded: chain A residue 4963 ILE Chi-restraints excluded: chain A residue 4965 SER Chi-restraints excluded: chain A residue 4967 TYR Chi-restraints excluded: chain A residue 4970 THR Chi-restraints excluded: chain A residue 4971 THR Chi-restraints excluded: chain A residue 4977 THR Chi-restraints excluded: chain A residue 4979 THR Chi-restraints excluded: chain A residue 4983 HIS Chi-restraints excluded: chain A residue 4985 LEU Chi-restraints excluded: chain A residue 4989 MET Chi-restraints excluded: chain A residue 4997 ASN Chi-restraints excluded: chain A residue 5008 SER Chi-restraints excluded: chain A residue 5016 GLU Chi-restraints excluded: chain A residue 5018 CYS Chi-restraints excluded: chain A residue 5020 ASP Chi-restraints excluded: chain A residue 5021 PHE Chi-restraints excluded: chain A residue 5030 LYS Chi-restraints excluded: chain A residue 5034 ASP Chi-restraints excluded: chain A residue 5036 LEU Chi-restraints excluded: chain A residue 5037 SER Chi-restraints excluded: chain C residue 13 PHE Chi-restraints excluded: chain C residue 15 ARG Chi-restraints excluded: chain C residue 17 ASP Chi-restraints excluded: chain C residue 20 VAL Chi-restraints excluded: chain C residue 21 VAL Chi-restraints excluded: chain C residue 24 CYS Chi-restraints excluded: chain C residue 28 VAL Chi-restraints excluded: chain C residue 37 LEU Chi-restraints excluded: chain C residue 49 LEU Chi-restraints excluded: chain C residue 50 GLU Chi-restraints excluded: chain C residue 57 ASN Chi-restraints excluded: chain C residue 58 VAL Chi-restraints excluded: chain C residue 64 ILE Chi-restraints excluded: chain C residue 68 THR Chi-restraints excluded: chain C residue 71 GLN Chi-restraints excluded: chain C residue 74 SER Chi-restraints excluded: chain C residue 75 VAL Chi-restraints excluded: chain C residue 80 GLU Chi-restraints excluded: chain C residue 81 MET Chi-restraints excluded: chain C residue 82 LEU Chi-restraints excluded: chain C residue 98 HIS Chi-restraints excluded: chain C residue 107 ILE Chi-restraints excluded: chain C residue 109 LEU Chi-restraints excluded: chain C residue 111 HIS Chi-restraints excluded: chain C residue 114 SER Chi-restraints excluded: chain C residue 115 ARG Chi-restraints excluded: chain C residue 119 SER Chi-restraints excluded: chain C residue 124 SER Chi-restraints excluded: chain C residue 131 LEU Chi-restraints excluded: chain C residue 138 GLN Chi-restraints excluded: chain C residue 144 GLU Chi-restraints excluded: chain C residue 149 THR Chi-restraints excluded: chain C residue 150 MET Chi-restraints excluded: chain C residue 151 HIS Chi-restraints excluded: chain C residue 154 SER Chi-restraints excluded: chain C residue 159 GLU Chi-restraints excluded: chain C residue 161 GLU Chi-restraints excluded: chain C residue 162 LYS Chi-restraints excluded: chain C residue 164 ARG Chi-restraints excluded: chain C residue 165 VAL Chi-restraints excluded: chain C residue 167 ASP Chi-restraints excluded: chain C residue 170 ILE Chi-restraints excluded: chain C residue 173 SER Chi-restraints excluded: chain C residue 174 VAL Chi-restraints excluded: chain C residue 189 LEU Chi-restraints excluded: chain C residue 192 ASP Chi-restraints excluded: chain C residue 194 SER Chi-restraints excluded: chain C residue 206 CYS Chi-restraints excluded: chain C residue 210 GLU Chi-restraints excluded: chain C residue 215 THR Chi-restraints excluded: chain C residue 219 VAL Chi-restraints excluded: chain C residue 222 LEU Chi-restraints excluded: chain C residue 226 HIS Chi-restraints excluded: chain C residue 232 THR Chi-restraints excluded: chain C residue 240 ASP Chi-restraints excluded: chain C residue 243 ARG Chi-restraints excluded: chain C residue 248 GLU Chi-restraints excluded: chain C residue 258 SER Chi-restraints excluded: chain C residue 260 TRP Chi-restraints excluded: chain C residue 261 ARG Chi-restraints excluded: chain C residue 262 LEU Chi-restraints excluded: chain C residue 267 ILE Chi-restraints excluded: chain C residue 268 SER Chi-restraints excluded: chain C residue 272 SER Chi-restraints excluded: chain C residue 275 ARG Chi-restraints excluded: chain C residue 276 TRP Chi-restraints excluded: chain C residue 278 GLN Chi-restraints excluded: chain C residue 281 ARG Chi-restraints excluded: chain C residue 285 VAL Chi-restraints excluded: chain C residue 286 THR Chi-restraints excluded: chain C residue 287 THR Chi-restraints excluded: chain C residue 299 LEU Chi-restraints excluded: chain C residue 300 VAL Chi-restraints excluded: chain C residue 302 VAL Chi-restraints excluded: chain C residue 303 ASP Chi-restraints excluded: chain C residue 312 THR Chi-restraints excluded: chain C residue 313 SER Chi-restraints excluded: chain C residue 318 VAL Chi-restraints excluded: chain C residue 320 LYS Chi-restraints excluded: chain C residue 343 GLU Chi-restraints excluded: chain C residue 345 LEU Chi-restraints excluded: chain C residue 348 VAL Chi-restraints excluded: chain C residue 357 LEU Chi-restraints excluded: chain C residue 358 THR Chi-restraints excluded: chain C residue 359 TYR Chi-restraints excluded: chain C residue 373 LYS Chi-restraints excluded: chain C residue 381 GLU Chi-restraints excluded: chain C residue 388 LEU Chi-restraints excluded: chain C residue 389 PHE Chi-restraints excluded: chain C residue 390 LEU Chi-restraints excluded: chain C residue 396 GLU Chi-restraints excluded: chain C residue 419 ASP Chi-restraints excluded: chain C residue 422 SER Chi-restraints excluded: chain C residue 424 LYS Chi-restraints excluded: chain C residue 436 LEU Chi-restraints excluded: chain C residue 444 SER Chi-restraints excluded: chain C residue 453 GLU Chi-restraints excluded: chain C residue 455 PRO Chi-restraints excluded: chain C residue 456 SER Chi-restraints excluded: chain C residue 457 GLU Chi-restraints excluded: chain C residue 459 LEU Chi-restraints excluded: chain C residue 469 ARG Chi-restraints excluded: chain C residue 470 SER Chi-restraints excluded: chain C residue 477 LEU Chi-restraints excluded: chain C residue 478 PHE Chi-restraints excluded: chain C residue 483 MET Chi-restraints excluded: chain C residue 487 VAL Chi-restraints excluded: chain C residue 488 LEU Chi-restraints excluded: chain C residue 494 LEU Chi-restraints excluded: chain C residue 497 TYR Chi-restraints excluded: chain C residue 498 THR Chi-restraints excluded: chain C residue 499 THR Chi-restraints excluded: chain C residue 503 PHE Chi-restraints excluded: chain C residue 510 GLU Chi-restraints excluded: chain C residue 514 SER Chi-restraints excluded: chain C residue 521 LEU Chi-restraints excluded: chain C residue 524 GLU Chi-restraints excluded: chain C residue 534 ARG Chi-restraints excluded: chain C residue 537 CYS Chi-restraints excluded: chain C residue 542 THR Chi-restraints excluded: chain C residue 549 SER Chi-restraints excluded: chain C residue 553 ARG Chi-restraints excluded: chain C residue 554 LEU Chi-restraints excluded: chain C residue 557 SER Chi-restraints excluded: chain C residue 566 CYS Chi-restraints excluded: chain C residue 569 ILE Chi-restraints excluded: chain C residue 570 GLU Chi-restraints excluded: chain C residue 573 GLU Chi-restraints excluded: chain C residue 581 ASN Chi-restraints excluded: chain C residue 587 ILE Chi-restraints excluded: chain C residue 590 LEU Chi-restraints excluded: chain C residue 600 LEU Chi-restraints excluded: chain C residue 608 VAL Chi-restraints excluded: chain C residue 614 VAL Chi-restraints excluded: chain C residue 616 SER Chi-restraints excluded: chain C residue 622 THR Chi-restraints excluded: chain C residue 629 ARG Chi-restraints excluded: chain C residue 634 GLN Chi-restraints excluded: chain C residue 637 LEU Chi-restraints excluded: chain C residue 641 VAL Chi-restraints excluded: chain C residue 643 SER Chi-restraints excluded: chain C residue 648 ILE Chi-restraints excluded: chain C residue 650 VAL Chi-restraints excluded: chain C residue 652 ARG Chi-restraints excluded: chain C residue 659 TYR Chi-restraints excluded: chain C residue 661 LYS Chi-restraints excluded: chain C residue 662 TRP Chi-restraints excluded: chain C residue 663 TYR Chi-restraints excluded: chain C residue 668 VAL Chi-restraints excluded: chain C residue 669 ASP Chi-restraints excluded: chain C residue 671 VAL Chi-restraints excluded: chain C residue 675 LEU Chi-restraints excluded: chain C residue 680 THR Chi-restraints excluded: chain C residue 683 ARG Chi-restraints excluded: chain C residue 684 VAL Chi-restraints excluded: chain C residue 692 TYR Chi-restraints excluded: chain C residue 700 GLU Chi-restraints excluded: chain C residue 707 VAL Chi-restraints excluded: chain C residue 710 ASP Chi-restraints excluded: chain C residue 716 PHE Chi-restraints excluded: chain C residue 719 LEU Chi-restraints excluded: chain C residue 720 HIS Chi-restraints excluded: chain C residue 726 VAL Chi-restraints excluded: chain C residue 730 VAL Chi-restraints excluded: chain C residue 735 GLN Chi-restraints excluded: chain C residue 737 LEU Chi-restraints excluded: chain C residue 744 VAL Chi-restraints excluded: chain C residue 751 SER Chi-restraints excluded: chain C residue 752 VAL Chi-restraints excluded: chain C residue 754 SER Chi-restraints excluded: chain C residue 758 ARG Chi-restraints excluded: chain C residue 776 LEU Chi-restraints excluded: chain C residue 780 VAL Chi-restraints excluded: chain C residue 784 SER Chi-restraints excluded: chain C residue 787 VAL Chi-restraints excluded: chain C residue 788 LYS Chi-restraints excluded: chain C residue 791 PHE Chi-restraints excluded: chain C residue 793 LEU Chi-restraints excluded: chain C residue 800 PHE Chi-restraints excluded: chain C residue 803 LEU Chi-restraints excluded: chain C residue 811 CYS Chi-restraints excluded: chain C residue 812 HIS Chi-restraints excluded: chain C residue 835 ARG Chi-restraints excluded: chain C residue 840 VAL Chi-restraints excluded: chain C residue 850 ASP Chi-restraints excluded: chain C residue 867 LEU Chi-restraints excluded: chain C residue 868 GLU Chi-restraints excluded: chain C residue 869 ARG Chi-restraints excluded: chain C residue 870 ILE Chi-restraints excluded: chain C residue 884 LEU Chi-restraints excluded: chain C residue 887 ILE Chi-restraints excluded: chain C residue 891 TRP Chi-restraints excluded: chain C residue 893 TYR Chi-restraints excluded: chain C residue 907 LEU Chi-restraints excluded: chain C residue 944 GLU Chi-restraints excluded: chain C residue 951 LYS Chi-restraints excluded: chain C residue 974 HIS Chi-restraints excluded: chain C residue 978 THR Chi-restraints excluded: chain C residue 1034 SER Chi-restraints excluded: chain C residue 1036 ARG Chi-restraints excluded: chain C residue 1037 ASP Chi-restraints excluded: chain C residue 1044 ARG Chi-restraints excluded: chain C residue 1046 LEU Chi-restraints excluded: chain C residue 1076 ARG Chi-restraints excluded: chain C residue 1079 LYS Chi-restraints excluded: chain C residue 1080 SER Chi-restraints excluded: chain C residue 1082 THR Chi-restraints excluded: chain C residue 1083 VAL Chi-restraints excluded: chain C residue 1099 GLU Chi-restraints excluded: chain C residue 1102 VAL Chi-restraints excluded: chain C residue 1110 ARG Chi-restraints excluded: chain C residue 1112 ASP Chi-restraints excluded: chain C residue 1113 VAL Chi-restraints excluded: chain C residue 1120 LEU Chi-restraints excluded: chain C residue 1123 VAL Chi-restraints excluded: chain C residue 1133 HIS Chi-restraints excluded: chain C residue 1134 LEU Chi-restraints excluded: chain C residue 1139 PHE Chi-restraints excluded: chain C residue 1141 ARG Chi-restraints excluded: chain C residue 1148 VAL Chi-restraints excluded: chain C residue 1149 VAL 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 1159 THR Chi-restraints excluded: chain C residue 1179 PHE Chi-restraints excluded: chain C residue 1184 ILE Chi-restraints excluded: chain C residue 1191 VAL Chi-restraints excluded: chain C residue 1193 SER Chi-restraints excluded: chain C residue 1198 GLN Chi-restraints excluded: chain C residue 1201 HIS 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 1210 SER Chi-restraints excluded: chain C residue 1214 PHE Chi-restraints excluded: chain C residue 1230 MET Chi-restraints excluded: chain C residue 1232 ARG Chi-restraints excluded: chain C residue 1234 VAL Chi-restraints excluded: chain C residue 1238 PHE Chi-restraints excluded: chain C residue 1239 SER Chi-restraints excluded: chain C residue 1241 SER Chi-restraints excluded: chain C residue 1242 LEU Chi-restraints excluded: chain C residue 1255 TYR Chi-restraints excluded: chain C residue 1260 MET Chi-restraints excluded: chain C residue 1266 THR Chi-restraints excluded: chain C residue 1574 PRO 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 1608 MET Chi-restraints excluded: chain C residue 1612 PHE Chi-restraints excluded: chain C residue 1630 CYS Chi-restraints excluded: chain C residue 1635 THR Chi-restraints excluded: chain C residue 1637 MET Chi-restraints excluded: chain C residue 1639 LEU Chi-restraints excluded: chain C residue 1647 CYS Chi-restraints excluded: chain C residue 1648 MET Chi-restraints excluded: chain C residue 1652 GLU Chi-restraints excluded: chain C residue 1653 LEU Chi-restraints excluded: chain C residue 1655 GLU Chi-restraints excluded: chain C residue 1656 ARG Chi-restraints excluded: chain C residue 1664 SER Chi-restraints excluded: chain C residue 1666 THR Chi-restraints excluded: chain C residue 1671 ARG Chi-restraints excluded: chain C residue 1681 VAL Chi-restraints excluded: chain C residue 1687 SER Chi-restraints excluded: chain C residue 1693 GLN Chi-restraints excluded: chain C residue 1695 LEU Chi-restraints excluded: chain C residue 1702 HIS Chi-restraints excluded: chain C residue 1703 LEU Chi-restraints excluded: chain C residue 1706 PRO Chi-restraints excluded: chain C residue 1714 LEU Chi-restraints excluded: chain C residue 1716 ILE Chi-restraints excluded: chain C residue 1717 SER Chi-restraints excluded: chain C residue 1720 LEU Chi-restraints excluded: chain C residue 1721 GLU Chi-restraints excluded: chain C residue 1724 CYS Chi-restraints excluded: chain C residue 1727 ARG Chi-restraints excluded: chain C residue 1730 MET Chi-restraints excluded: chain C residue 1731 LEU Chi-restraints excluded: chain C residue 1733 GLU Chi-restraints excluded: chain C residue 1736 VAL Chi-restraints excluded: chain C residue 1742 THR Chi-restraints excluded: chain C residue 1745 ILE Chi-restraints excluded: chain C residue 1765 VAL Chi-restraints excluded: chain C residue 1769 THR Chi-restraints excluded: chain C residue 1770 SER Chi-restraints excluded: chain C residue 1776 HIS Chi-restraints excluded: chain C residue 1786 LEU Chi-restraints excluded: chain C residue 1798 LEU Chi-restraints excluded: chain C residue 1802 ILE Chi-restraints excluded: chain C residue 1813 ARG Chi-restraints excluded: chain C residue 1817 GLU Chi-restraints excluded: chain C residue 1830 VAL Chi-restraints excluded: chain C residue 1833 SER Chi-restraints excluded: chain C residue 1834 VAL Chi-restraints excluded: chain C residue 1845 VAL Chi-restraints excluded: chain C residue 1847 THR Chi-restraints excluded: chain C residue 1850 VAL Chi-restraints excluded: chain C residue 1862 ILE Chi-restraints excluded: chain C residue 1865 MET Chi-restraints excluded: chain C residue 1935 VAL Chi-restraints excluded: chain C residue 1947 CYS Chi-restraints excluded: chain C residue 1950 GLU Chi-restraints excluded: chain C residue 1953 HIS Chi-restraints excluded: chain C residue 1955 VAL Chi-restraints excluded: chain C residue 1963 GLU Chi-restraints excluded: chain C residue 1965 TYR Chi-restraints excluded: chain C residue 1969 LEU Chi-restraints excluded: chain C residue 1973 GLN Chi-restraints excluded: chain C residue 1980 LEU Chi-restraints excluded: chain C residue 2006 ILE Chi-restraints excluded: chain C residue 2010 LEU Chi-restraints excluded: chain C residue 2011 HIS Chi-restraints excluded: chain C residue 2027 ILE Chi-restraints excluded: chain C residue 2031 LEU Chi-restraints excluded: chain C residue 2032 GLN Chi-restraints excluded: chain C residue 2039 LEU Chi-restraints excluded: chain C residue 2041 HIS Chi-restraints excluded: chain C residue 2097 LEU Chi-restraints excluded: chain C residue 2098 VAL Chi-restraints excluded: chain C residue 2099 SER Chi-restraints excluded: chain C residue 2117 VAL Chi-restraints excluded: chain C residue 2122 SER Chi-restraints excluded: chain C residue 2126 ARG Chi-restraints excluded: chain C residue 2128 TYR Chi-restraints excluded: chain C residue 2148 SER Chi-restraints excluded: chain C residue 2152 THR Chi-restraints excluded: chain C residue 2162 ILE Chi-restraints excluded: chain C residue 2164 SER Chi-restraints excluded: chain C residue 2166 LEU Chi-restraints excluded: chain C residue 2167 ILE Chi-restraints excluded: chain C residue 2170 MET Chi-restraints excluded: chain C residue 2172 PRO Chi-restraints excluded: chain C residue 2187 ASN Chi-restraints excluded: chain C residue 2191 PHE Chi-restraints excluded: chain C residue 2192 TYR Chi-restraints excluded: chain C residue 2194 HIS Chi-restraints excluded: chain C residue 2198 MET Chi-restraints excluded: chain C residue 2203 MET Chi-restraints excluded: chain C residue 2210 VAL Chi-restraints excluded: chain C residue 2215 LEU Chi-restraints excluded: chain C residue 2223 ILE Chi-restraints excluded: chain C residue 2240 CYS Chi-restraints excluded: chain C residue 2243 SER Chi-restraints excluded: chain C residue 2245 GLN Chi-restraints excluded: chain C residue 2246 ASN Chi-restraints excluded: chain C residue 2249 SER Chi-restraints excluded: chain C residue 2253 HIS Chi-restraints excluded: chain C residue 2273 LEU Chi-restraints excluded: chain C residue 2274 ASP Chi-restraints excluded: chain C residue 2275 VAL Chi-restraints excluded: chain C residue 2279 SER Chi-restraints excluded: chain C residue 2281 ILE Chi-restraints excluded: chain C residue 2286 LEU Chi-restraints excluded: chain C residue 2290 LEU Chi-restraints excluded: chain C residue 2291 GLN Chi-restraints excluded: chain C residue 2292 GLU Chi-restraints excluded: chain C residue 2299 VAL Chi-restraints excluded: chain C residue 2300 SER Chi-restraints excluded: chain C residue 2301 TYR Chi-restraints excluded: chain C residue 2302 LEU Chi-restraints excluded: chain C residue 2336 ARG Chi-restraints excluded: chain C residue 2339 VAL Chi-restraints excluded: chain C residue 2341 VAL Chi-restraints excluded: chain C residue 2358 ILE Chi-restraints excluded: chain C residue 2364 PHE Chi-restraints excluded: chain C residue 2418 LEU Chi-restraints excluded: chain C residue 2420 HIS Chi-restraints excluded: chain C residue 2438 PRO Chi-restraints excluded: chain C residue 2442 LEU Chi-restraints excluded: chain C residue 2443 ILE Chi-restraints excluded: chain C residue 2449 GLU Chi-restraints excluded: chain C residue 2451 LEU Chi-restraints excluded: chain C residue 2456 ILE Chi-restraints excluded: chain C residue 2457 LEU Chi-restraints excluded: chain C residue 2458 ARG Chi-restraints excluded: chain C residue 2460 LEU Chi-restraints excluded: chain C residue 2470 ILE Chi-restraints excluded: chain C residue 2472 LEU Chi-restraints excluded: chain C residue 2742 THR Chi-restraints excluded: chain C residue 2752 ASP Chi-restraints excluded: chain C residue 2761 TYR Chi-restraints excluded: chain C residue 2762 THR Chi-restraints excluded: chain C residue 2777 TYR Chi-restraints excluded: chain C residue 2779 GLU Chi-restraints excluded: chain C residue 2785 LEU Chi-restraints excluded: chain C residue 2806 ARG Chi-restraints excluded: chain C residue 2807 TRP Chi-restraints excluded: chain C residue 2809 ILE Chi-restraints excluded: chain C residue 2811 GLU Chi-restraints excluded: chain C residue 2812 SER Chi-restraints excluded: chain C residue 2869 ARG Chi-restraints excluded: chain C residue 2872 GLN Chi-restraints excluded: chain C residue 2882 TYR Chi-restraints excluded: chain C residue 2883 HIS Chi-restraints excluded: chain C residue 2884 ASN Chi-restraints excluded: chain C residue 2889 LYS Chi-restraints excluded: chain C residue 2892 GLN Chi-restraints excluded: chain C residue 2894 LEU Chi-restraints excluded: chain C residue 2895 GLU Chi-restraints excluded: chain C residue 2901 THR Chi-restraints excluded: chain C residue 2906 VAL Chi-restraints excluded: chain C residue 2912 THR Chi-restraints excluded: chain C residue 2932 MET Chi-restraints excluded: chain C residue 3641 LEU Chi-restraints excluded: chain C residue 3642 TYR Chi-restraints excluded: chain C residue 3643 ASN Chi-restraints excluded: chain C residue 3647 HIS Chi-restraints excluded: chain C residue 3648 ARG Chi-restraints excluded: chain C residue 3656 SER Chi-restraints excluded: chain C residue 3657 TYR Chi-restraints excluded: chain C residue 3658 LYS Chi-restraints excluded: chain C residue 3661 TRP Chi-restraints excluded: chain C residue 3663 LEU Chi-restraints excluded: chain C residue 3669 PHE Chi-restraints excluded: chain C residue 3671 ASP Chi-restraints excluded: chain C residue 3674 ILE Chi-restraints excluded: chain C residue 3678 SER Chi-restraints excluded: chain C residue 3696 ASP Chi-restraints excluded: chain C residue 3703 LEU Chi-restraints excluded: chain C residue 3706 SER Chi-restraints excluded: chain C residue 3708 THR Chi-restraints excluded: chain C residue 3710 LEU Chi-restraints excluded: chain C residue 3711 THR Chi-restraints excluded: chain C residue 3712 GLU Chi-restraints excluded: chain C residue 3727 ASP Chi-restraints excluded: chain C residue 3733 CYS Chi-restraints excluded: chain C residue 3751 VAL Chi-restraints excluded: chain C residue 3752 SER Chi-restraints excluded: chain C residue 3753 PHE Chi-restraints excluded: chain C residue 3761 GLN Chi-restraints excluded: chain C residue 3762 ARG Chi-restraints excluded: chain C residue 3764 LEU Chi-restraints excluded: chain C residue 3768 SER Chi-restraints excluded: chain C residue 3790 THR Chi-restraints excluded: chain C residue 3794 VAL Chi-restraints excluded: chain C residue 3795 SER Chi-restraints excluded: chain C residue 3798 LEU Chi-restraints excluded: chain C residue 3803 SER Chi-restraints excluded: chain C residue 3804 ILE Chi-restraints excluded: chain C residue 3805 LEU Chi-restraints excluded: chain C residue 3809 ASN Chi-restraints excluded: chain C residue 3822 ASP Chi-restraints excluded: chain C residue 3825 GLU Chi-restraints excluded: chain C residue 3830 GLN Chi-restraints excluded: chain C residue 3832 ILE Chi-restraints excluded: chain C residue 3835 LEU Chi-restraints excluded: chain C residue 3836 MET Chi-restraints excluded: chain C residue 3838 THR Chi-restraints excluded: chain C residue 3842 LEU Chi-restraints excluded: chain C residue 3886 ARG Chi-restraints excluded: chain C residue 3890 LEU Chi-restraints excluded: chain C residue 3892 CYS Chi-restraints excluded: chain C residue 3899 PHE Chi-restraints excluded: chain C residue 3905 THR Chi-restraints excluded: chain C residue 3907 THR Chi-restraints excluded: chain C residue 3910 THR Chi-restraints excluded: chain C residue 3911 THR Chi-restraints excluded: chain C residue 3913 ILE Chi-restraints excluded: chain C residue 3919 THR Chi-restraints excluded: chain C residue 3920 VAL Chi-restraints excluded: chain C residue 3930 ILE Chi-restraints excluded: chain C residue 3938 SER Chi-restraints excluded: chain C residue 3950 ASN Chi-restraints excluded: chain C residue 3952 SER Chi-restraints excluded: chain C residue 3964 SER Chi-restraints excluded: chain C residue 3966 THR Chi-restraints excluded: chain C residue 3973 CYS Chi-restraints excluded: chain C residue 3974 THR Chi-restraints excluded: chain C residue 3979 SER Chi-restraints excluded: chain C residue 3980 LEU Chi-restraints excluded: chain C residue 3984 ARG Chi-restraints excluded: chain C residue 4001 MET Chi-restraints excluded: chain C residue 4021 LYS Chi-restraints excluded: chain C residue 4040 ILE Chi-restraints excluded: chain C residue 4052 SER Chi-restraints excluded: chain C residue 4053 SER Chi-restraints excluded: chain C residue 4054 ASN Chi-restraints excluded: chain C residue 4066 LEU Chi-restraints excluded: chain C residue 4072 VAL Chi-restraints excluded: chain C residue 4074 SER Chi-restraints excluded: chain C residue 4081 VAL 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 4092 ASP Chi-restraints excluded: chain C residue 4097 MET Chi-restraints excluded: chain C residue 4098 ASP Chi-restraints excluded: chain C residue 4100 GLN Chi-restraints excluded: chain C residue 4102 GLN Chi-restraints excluded: chain C residue 4104 THR Chi-restraints excluded: chain C residue 4108 ILE Chi-restraints excluded: chain C residue 4113 SER Chi-restraints excluded: chain C residue 4116 GLU Chi-restraints excluded: chain C residue 4118 ASP Chi-restraints excluded: chain C residue 4119 GLU Chi-restraints excluded: chain C residue 4123 ILE Chi-restraints excluded: chain C residue 4127 GLU Chi-restraints excluded: chain C residue 4132 PHE Chi-restraints excluded: chain C residue 4142 ASN Chi-restraints excluded: chain C residue 4151 SER Chi-restraints excluded: chain C residue 4152 GLU Chi-restraints excluded: chain C residue 4157 ASP Chi-restraints excluded: chain C residue 4161 ARG Chi-restraints excluded: chain C residue 4166 LEU Chi-restraints excluded: chain C residue 4168 GLU Chi-restraints excluded: chain C residue 4170 ILE Chi-restraints excluded: chain C residue 4180 ARG Chi-restraints excluded: chain C residue 4182 GLU Chi-restraints excluded: chain C residue 4183 ILE Chi-restraints excluded: chain C residue 4187 SER Chi-restraints excluded: chain C residue 4190 ILE Chi-restraints excluded: chain C residue 4197 ILE Chi-restraints excluded: chain C residue 4199 GLU Chi-restraints excluded: chain C residue 4205 TRP Chi-restraints excluded: chain C residue 4213 SER Chi-restraints excluded: chain C residue 4217 PHE Chi-restraints excluded: chain C residue 4221 VAL Chi-restraints excluded: chain C residue 4241 THR Chi-restraints excluded: chain C residue 4246 GLN Chi-restraints excluded: chain C residue 4251 ILE Chi-restraints excluded: chain C residue 4549 VAL Chi-restraints excluded: chain C residue 4552 LEU Chi-restraints excluded: chain C residue 4553 ASN Chi-restraints excluded: chain C residue 4561 THR Chi-restraints excluded: chain C residue 4562 LEU Chi-restraints excluded: chain C residue 4569 LEU Chi-restraints excluded: chain C residue 4571 PHE Chi-restraints excluded: chain C residue 4573 ILE Chi-restraints excluded: chain C residue 4579 PHE Chi-restraints excluded: chain C residue 4580 TYR Chi-restraints excluded: chain C residue 4628 VAL Chi-restraints excluded: chain C residue 4631 PHE Chi-restraints excluded: chain C residue 4632 LEU Chi-restraints excluded: chain C residue 4636 THR Chi-restraints excluded: chain C residue 4639 MET Chi-restraints excluded: chain C residue 4643 LEU Chi-restraints excluded: chain C residue 4648 LEU Chi-restraints excluded: chain C residue 4651 THR Chi-restraints excluded: chain C residue 4655 PHE Chi-restraints excluded: chain C residue 4670 ILE Chi-restraints excluded: chain C residue 4676 GLU Chi-restraints excluded: chain C residue 4688 ILE Chi-restraints excluded: chain C residue 4694 ASP Chi-restraints excluded: chain C residue 4695 ASP Chi-restraints excluded: chain C residue 4723 LYS Chi-restraints excluded: chain C residue 4724 VAL Chi-restraints excluded: chain C residue 4728 HIS Chi-restraints excluded: chain C residue 4736 ARG Chi-restraints excluded: chain C residue 4741 LEU Chi-restraints excluded: chain C residue 4743 MET Chi-restraints excluded: chain C residue 4744 ASP Chi-restraints excluded: chain C residue 4751 THR Chi-restraints excluded: chain C residue 4765 LEU Chi-restraints excluded: chain C residue 4768 LEU Chi-restraints excluded: chain C residue 4770 SER Chi-restraints excluded: chain C residue 4773 VAL Chi-restraints excluded: chain C residue 4782 VAL Chi-restraints excluded: chain C residue 4788 SER Chi-restraints excluded: chain C residue 4797 VAL Chi-restraints excluded: chain C residue 4799 SER Chi-restraints excluded: chain C residue 4804 TYR Chi-restraints excluded: chain C residue 4816 ILE Chi-restraints excluded: chain C residue 4818 MET Chi-restraints excluded: chain C residue 4822 THR Chi-restraints excluded: chain C residue 4827 LEU Chi-restraints excluded: chain C residue 4828 SER Chi-restraints excluded: chain C residue 4831 THR Chi-restraints excluded: chain C residue 4840 THR Chi-restraints excluded: chain C residue 4852 THR Chi-restraints excluded: chain C residue 4856 PHE Chi-restraints excluded: chain C residue 4858 PHE Chi-restraints excluded: chain C residue 4861 LYS Chi-restraints excluded: chain C residue 4868 ASP Chi-restraints excluded: chain C residue 4870 ASP Chi-restraints excluded: chain C residue 4873 ASP Chi-restraints excluded: chain C residue 4879 MET Chi-restraints excluded: chain C residue 4881 THR Chi-restraints excluded: chain C residue 4884 LEU Chi-restraints excluded: chain C residue 4887 MET Chi-restraints excluded: chain C residue 4888 TYR Chi-restraints excluded: chain C residue 4891 VAL Chi-restraints excluded: chain C residue 4892 ARG Chi-restraints excluded: chain C residue 4910 GLU Chi-restraints excluded: chain C residue 4913 ARG Chi-restraints excluded: chain C residue 4915 VAL Chi-restraints excluded: chain C residue 4916 PHE Chi-restraints excluded: chain C residue 4917 ASP Chi-restraints excluded: chain C residue 4919 THR Chi-restraints excluded: chain C residue 4925 ILE Chi-restraints excluded: chain C residue 4928 LEU Chi-restraints excluded: chain C residue 4937 ILE Chi-restraints excluded: chain C residue 4938 ASP Chi-restraints excluded: chain C residue 4943 LEU Chi-restraints excluded: chain C residue 4947 GLN Chi-restraints excluded: chain C residue 4950 VAL Chi-restraints excluded: chain C residue 4952 GLU Chi-restraints excluded: chain C residue 4953 ASP 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 4963 ILE Chi-restraints excluded: chain C residue 4965 SER Chi-restraints excluded: chain C residue 4967 TYR Chi-restraints excluded: chain C residue 4970 THR Chi-restraints excluded: chain C residue 4971 THR Chi-restraints excluded: chain C residue 4977 THR Chi-restraints excluded: chain C residue 4979 THR Chi-restraints excluded: chain C residue 4983 HIS Chi-restraints excluded: chain C residue 4985 LEU Chi-restraints excluded: chain C residue 4989 MET Chi-restraints excluded: chain C residue 4997 ASN Chi-restraints excluded: chain C residue 5008 SER Chi-restraints excluded: chain C residue 5016 GLU Chi-restraints excluded: chain C residue 5018 CYS Chi-restraints excluded: chain C residue 5020 ASP Chi-restraints excluded: chain C residue 5021 PHE Chi-restraints excluded: chain C residue 5030 LYS Chi-restraints excluded: chain C residue 5034 ASP Chi-restraints excluded: chain C residue 5036 LEU Chi-restraints excluded: chain C residue 5037 SER Chi-restraints excluded: chain D residue 17 ASP Chi-restraints excluded: chain D residue 20 VAL Chi-restraints excluded: chain D residue 21 VAL Chi-restraints excluded: chain D residue 24 CYS Chi-restraints excluded: chain D residue 28 VAL Chi-restraints excluded: chain D residue 37 LEU Chi-restraints excluded: chain D residue 49 LEU Chi-restraints excluded: chain D residue 50 GLU Chi-restraints excluded: chain D residue 57 ASN Chi-restraints excluded: chain D residue 58 VAL Chi-restraints excluded: chain D residue 64 ILE Chi-restraints excluded: chain D residue 68 THR Chi-restraints excluded: chain D residue 69 LEU Chi-restraints excluded: chain D residue 71 GLN Chi-restraints excluded: chain D residue 74 SER Chi-restraints excluded: chain D residue 75 VAL Chi-restraints excluded: chain D residue 80 GLU Chi-restraints excluded: chain D residue 81 MET Chi-restraints excluded: chain D residue 82 LEU Chi-restraints excluded: chain D residue 107 ILE Chi-restraints excluded: chain D residue 109 LEU Chi-restraints excluded: chain D residue 114 SER Chi-restraints excluded: chain D residue 119 SER Chi-restraints excluded: chain D residue 124 SER Chi-restraints excluded: chain D residue 131 LEU Chi-restraints excluded: chain D residue 138 GLN Chi-restraints excluded: chain D residue 144 GLU Chi-restraints excluded: chain D residue 149 THR Chi-restraints excluded: chain D residue 150 MET Chi-restraints excluded: chain D residue 151 HIS Chi-restraints excluded: chain D residue 154 SER Chi-restraints excluded: chain D residue 159 GLU Chi-restraints excluded: chain D residue 161 GLU Chi-restraints excluded: chain D residue 162 LYS Chi-restraints excluded: chain D residue 163 VAL Chi-restraints excluded: chain D residue 164 ARG Chi-restraints excluded: chain D residue 165 VAL Chi-restraints excluded: chain D residue 167 ASP Chi-restraints excluded: chain D residue 170 ILE Chi-restraints excluded: chain D residue 173 SER Chi-restraints excluded: chain D residue 174 VAL Chi-restraints excluded: chain D residue 177 GLU Chi-restraints excluded: chain D residue 192 ASP Chi-restraints excluded: chain D residue 194 SER Chi-restraints excluded: chain D residue 206 CYS Chi-restraints excluded: chain D residue 210 GLU Chi-restraints excluded: chain D residue 211 GLU Chi-restraints excluded: chain D residue 215 THR Chi-restraints excluded: chain D residue 219 VAL Chi-restraints excluded: chain D residue 222 LEU Chi-restraints excluded: chain D residue 226 HIS Chi-restraints excluded: chain D residue 229 GLU Chi-restraints excluded: chain D residue 232 THR Chi-restraints excluded: chain D residue 240 ASP Chi-restraints excluded: chain D residue 243 ARG Chi-restraints excluded: chain D residue 248 GLU Chi-restraints excluded: chain D residue 258 SER Chi-restraints excluded: chain D residue 260 TRP Chi-restraints excluded: chain D residue 261 ARG Chi-restraints excluded: chain D residue 262 LEU Chi-restraints excluded: chain D residue 267 ILE Chi-restraints excluded: chain D residue 268 SER Chi-restraints excluded: chain D residue 275 ARG Chi-restraints excluded: chain D residue 276 TRP Chi-restraints excluded: chain D residue 278 GLN Chi-restraints excluded: chain D residue 281 ARG Chi-restraints excluded: chain D residue 286 THR Chi-restraints excluded: chain D residue 287 THR Chi-restraints excluded: chain D residue 299 LEU Chi-restraints excluded: chain D residue 300 VAL Chi-restraints excluded: chain D residue 302 VAL Chi-restraints excluded: chain D residue 303 ASP Chi-restraints excluded: chain D residue 312 THR Chi-restraints excluded: chain D residue 313 SER Chi-restraints excluded: chain D residue 318 VAL Chi-restraints excluded: chain D residue 343 GLU Chi-restraints excluded: chain D residue 345 LEU Chi-restraints excluded: chain D residue 348 VAL Chi-restraints excluded: chain D residue 357 LEU Chi-restraints excluded: chain D residue 359 TYR Chi-restraints excluded: chain D residue 373 LYS Chi-restraints excluded: chain D residue 381 GLU Chi-restraints excluded: chain D residue 384 MET Chi-restraints excluded: chain D residue 389 PHE Chi-restraints excluded: chain D residue 390 LEU Chi-restraints excluded: chain D residue 396 GLU Chi-restraints excluded: chain D residue 407 THR Chi-restraints excluded: chain D residue 419 ASP Chi-restraints excluded: chain D residue 422 SER Chi-restraints excluded: chain D residue 424 LYS Chi-restraints excluded: chain D residue 436 LEU Chi-restraints excluded: chain D residue 444 SER Chi-restraints excluded: chain D residue 453 GLU Chi-restraints excluded: chain D residue 455 PRO Chi-restraints excluded: chain D residue 456 SER Chi-restraints excluded: chain D residue 457 GLU Chi-restraints excluded: chain D residue 459 LEU Chi-restraints excluded: chain D residue 469 ARG Chi-restraints excluded: chain D residue 470 SER Chi-restraints excluded: chain D residue 472 ARG Chi-restraints excluded: chain D residue 477 LEU Chi-restraints excluded: chain D residue 478 PHE Chi-restraints excluded: chain D residue 487 VAL Chi-restraints excluded: chain D residue 488 LEU Chi-restraints excluded: chain D residue 494 LEU Chi-restraints excluded: chain D residue 497 TYR Chi-restraints excluded: chain D residue 499 THR Chi-restraints excluded: chain D residue 503 PHE Chi-restraints excluded: chain D residue 510 GLU Chi-restraints excluded: chain D residue 514 SER Chi-restraints excluded: chain D residue 521 LEU Chi-restraints excluded: chain D residue 526 LEU Chi-restraints excluded: chain D residue 534 ARG Chi-restraints excluded: chain D residue 537 CYS Chi-restraints excluded: chain D residue 542 THR Chi-restraints excluded: chain D residue 545 ASP Chi-restraints excluded: chain D residue 549 SER Chi-restraints excluded: chain D residue 553 ARG Chi-restraints excluded: chain D residue 554 LEU Chi-restraints excluded: chain D residue 557 SER Chi-restraints excluded: chain D residue 566 CYS Chi-restraints excluded: chain D residue 569 ILE Chi-restraints excluded: chain D residue 570 GLU Chi-restraints excluded: chain D residue 573 GLU Chi-restraints excluded: chain D residue 578 ILE Chi-restraints excluded: chain D residue 581 ASN Chi-restraints excluded: chain D residue 587 ILE Chi-restraints excluded: chain D residue 600 LEU Chi-restraints excluded: chain D residue 608 VAL Chi-restraints excluded: chain D residue 614 VAL Chi-restraints excluded: chain D residue 616 SER Chi-restraints excluded: chain D residue 622 THR Chi-restraints excluded: chain D residue 624 ASN Chi-restraints excluded: chain D residue 629 ARG Chi-restraints excluded: chain D residue 634 GLN Chi-restraints excluded: chain D residue 637 LEU Chi-restraints excluded: chain D residue 641 VAL Chi-restraints excluded: chain D residue 643 SER Chi-restraints excluded: chain D residue 648 ILE Chi-restraints excluded: chain D residue 650 VAL Chi-restraints excluded: chain D residue 659 TYR Chi-restraints excluded: chain D residue 662 TRP Chi-restraints excluded: chain D residue 663 TYR Chi-restraints excluded: chain D residue 668 VAL Chi-restraints excluded: chain D residue 669 ASP Chi-restraints excluded: chain D residue 671 VAL Chi-restraints excluded: chain D residue 675 LEU Chi-restraints excluded: chain D residue 680 THR Chi-restraints excluded: chain D residue 683 ARG Chi-restraints excluded: chain D residue 684 VAL Chi-restraints excluded: chain D residue 692 TYR Chi-restraints excluded: chain D residue 700 GLU Chi-restraints excluded: chain D residue 707 VAL Chi-restraints excluded: chain D residue 710 ASP Chi-restraints excluded: chain D residue 716 PHE Chi-restraints excluded: chain D residue 719 LEU Chi-restraints excluded: chain D residue 720 HIS Chi-restraints excluded: chain D residue 726 VAL Chi-restraints excluded: chain D residue 730 VAL Chi-restraints excluded: chain D residue 735 GLN Chi-restraints excluded: chain D residue 737 LEU Chi-restraints excluded: chain D residue 744 VAL Chi-restraints excluded: chain D residue 749 ASP Chi-restraints excluded: chain D residue 751 SER Chi-restraints excluded: chain D residue 752 VAL Chi-restraints excluded: chain D residue 754 SER Chi-restraints excluded: chain D residue 758 ARG Chi-restraints excluded: chain D residue 776 LEU Chi-restraints excluded: chain D residue 780 VAL Chi-restraints excluded: chain D residue 784 SER Chi-restraints excluded: chain D residue 787 VAL Chi-restraints excluded: chain D residue 788 LYS Chi-restraints excluded: chain D residue 791 PHE Chi-restraints excluded: chain D residue 793 LEU Chi-restraints excluded: chain D residue 800 PHE Chi-restraints excluded: chain D residue 803 LEU Chi-restraints excluded: chain D residue 812 HIS Chi-restraints excluded: chain D residue 818 ARG Chi-restraints excluded: chain D residue 835 ARG Chi-restraints excluded: chain D residue 840 VAL Chi-restraints excluded: chain D residue 850 ASP Chi-restraints excluded: chain D residue 858 THR Chi-restraints excluded: chain D residue 867 LEU Chi-restraints excluded: chain D residue 868 GLU Chi-restraints excluded: chain D residue 869 ARG Chi-restraints excluded: chain D residue 870 ILE Chi-restraints excluded: chain D residue 884 LEU Chi-restraints excluded: chain D residue 887 ILE Chi-restraints excluded: chain D residue 891 TRP Chi-restraints excluded: chain D residue 893 TYR Chi-restraints excluded: chain D residue 907 LEU Chi-restraints excluded: chain D residue 939 VAL Chi-restraints excluded: chain D residue 974 HIS Chi-restraints excluded: chain D residue 978 THR Chi-restraints excluded: chain D residue 1034 SER Chi-restraints excluded: chain D residue 1036 ARG Chi-restraints excluded: chain D residue 1037 ASP Chi-restraints excluded: chain D residue 1044 ARG Chi-restraints excluded: chain D residue 1046 LEU Chi-restraints excluded: chain D residue 1079 LYS Chi-restraints excluded: chain D residue 1080 SER Chi-restraints excluded: chain D residue 1082 THR Chi-restraints excluded: chain D residue 1083 VAL Chi-restraints excluded: chain D residue 1099 GLU Chi-restraints excluded: chain D residue 1102 VAL Chi-restraints excluded: chain D residue 1110 ARG Chi-restraints excluded: chain D residue 1112 ASP Chi-restraints excluded: chain D residue 1113 VAL Chi-restraints excluded: chain D residue 1120 LEU Chi-restraints excluded: chain D residue 1123 VAL Chi-restraints excluded: chain D residue 1133 HIS Chi-restraints excluded: chain D residue 1134 LEU Chi-restraints excluded: chain D residue 1139 PHE Chi-restraints excluded: chain D residue 1141 ARG Chi-restraints excluded: chain D residue 1148 VAL Chi-restraints excluded: chain D residue 1149 VAL 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 1159 THR Chi-restraints excluded: chain D residue 1179 PHE Chi-restraints excluded: chain D residue 1184 ILE Chi-restraints excluded: chain D residue 1191 VAL Chi-restraints excluded: chain D residue 1193 SER Chi-restraints excluded: chain D residue 1198 GLN Chi-restraints excluded: chain D residue 1201 HIS 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 1210 SER Chi-restraints excluded: chain D residue 1214 PHE Chi-restraints excluded: chain D residue 1230 MET Chi-restraints excluded: chain D residue 1232 ARG Chi-restraints excluded: chain D residue 1234 VAL Chi-restraints excluded: chain D residue 1238 PHE Chi-restraints excluded: chain D residue 1239 SER Chi-restraints excluded: chain D residue 1240 LYS Chi-restraints excluded: chain D residue 1241 SER Chi-restraints excluded: chain D residue 1242 LEU Chi-restraints excluded: chain D residue 1255 TYR Chi-restraints excluded: chain D residue 1260 MET Chi-restraints excluded: chain D residue 1266 THR Chi-restraints excluded: chain D residue 1574 PRO 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 1608 MET Chi-restraints excluded: chain D residue 1612 PHE Chi-restraints excluded: chain D residue 1630 CYS Chi-restraints excluded: chain D residue 1635 THR Chi-restraints excluded: chain D residue 1637 MET Chi-restraints excluded: chain D residue 1639 LEU Chi-restraints excluded: chain D residue 1647 CYS Chi-restraints excluded: chain D residue 1648 MET Chi-restraints excluded: chain D residue 1652 GLU Chi-restraints excluded: chain D residue 1653 LEU Chi-restraints excluded: chain D residue 1654 SER Chi-restraints excluded: chain D residue 1655 GLU Chi-restraints excluded: chain D residue 1657 LEU Chi-restraints excluded: chain D residue 1664 SER Chi-restraints excluded: chain D residue 1666 THR Chi-restraints excluded: chain D residue 1671 ARG Chi-restraints excluded: chain D residue 1681 VAL Chi-restraints excluded: chain D residue 1687 SER Chi-restraints excluded: chain D residue 1693 GLN Chi-restraints excluded: chain D residue 1695 LEU Chi-restraints excluded: chain D residue 1700 ASP Chi-restraints excluded: chain D residue 1702 HIS Chi-restraints excluded: chain D residue 1703 LEU Chi-restraints excluded: chain D residue 1706 PRO Chi-restraints excluded: chain D residue 1714 LEU Chi-restraints excluded: chain D residue 1716 ILE Chi-restraints excluded: chain D residue 1717 SER Chi-restraints excluded: chain D residue 1720 LEU Chi-restraints excluded: chain D residue 1721 GLU Chi-restraints excluded: chain D residue 1724 CYS Chi-restraints excluded: chain D residue 1727 ARG Chi-restraints excluded: chain D residue 1730 MET Chi-restraints excluded: chain D residue 1731 LEU Chi-restraints excluded: chain D residue 1733 GLU Chi-restraints excluded: chain D residue 1736 VAL Chi-restraints excluded: chain D residue 1742 THR Chi-restraints excluded: chain D residue 1745 ILE Chi-restraints excluded: chain D residue 1765 VAL Chi-restraints excluded: chain D residue 1769 THR Chi-restraints excluded: chain D residue 1770 SER Chi-restraints excluded: chain D residue 1778 SER Chi-restraints excluded: chain D residue 1781 CYS Chi-restraints excluded: chain D residue 1802 ILE Chi-restraints excluded: chain D residue 1808 ARG Chi-restraints excluded: chain D residue 1813 ARG Chi-restraints excluded: chain D residue 1817 GLU Chi-restraints excluded: chain D residue 1830 VAL Chi-restraints excluded: chain D residue 1833 SER Chi-restraints excluded: chain D residue 1834 VAL Chi-restraints excluded: chain D residue 1845 VAL Chi-restraints excluded: chain D residue 1847 THR Chi-restraints excluded: chain D residue 1850 VAL Chi-restraints excluded: chain D residue 1862 ILE Chi-restraints excluded: chain D residue 1934 SER Chi-restraints excluded: chain D residue 1935 VAL Chi-restraints excluded: chain D residue 1947 CYS Chi-restraints excluded: chain D residue 1950 GLU Chi-restraints excluded: chain D residue 1953 HIS Chi-restraints excluded: chain D residue 1955 VAL Chi-restraints excluded: chain D residue 1963 GLU Chi-restraints excluded: chain D residue 1969 LEU Chi-restraints excluded: chain D residue 1973 GLN Chi-restraints excluded: chain D residue 1980 LEU Chi-restraints excluded: chain D residue 2006 ILE Chi-restraints excluded: chain D residue 2010 LEU Chi-restraints excluded: chain D residue 2011 HIS Chi-restraints excluded: chain D residue 2027 ILE Chi-restraints excluded: chain D residue 2031 LEU Chi-restraints excluded: chain D residue 2032 GLN Chi-restraints excluded: chain D residue 2039 LEU Chi-restraints excluded: chain D residue 2041 HIS Chi-restraints excluded: chain D residue 2097 LEU Chi-restraints excluded: chain D residue 2098 VAL Chi-restraints excluded: chain D residue 2099 SER Chi-restraints excluded: chain D residue 2103 VAL Chi-restraints excluded: chain D residue 2117 VAL Chi-restraints excluded: chain D residue 2122 SER Chi-restraints excluded: chain D residue 2126 ARG Chi-restraints excluded: chain D residue 2128 TYR Chi-restraints excluded: chain D residue 2140 ARG Chi-restraints excluded: chain D residue 2148 SER Chi-restraints excluded: chain D residue 2152 THR Chi-restraints excluded: chain D residue 2162 ILE Chi-restraints excluded: chain D residue 2164 SER Chi-restraints excluded: chain D residue 2166 LEU Chi-restraints excluded: chain D residue 2167 ILE Chi-restraints excluded: chain D residue 2172 PRO Chi-restraints excluded: chain D residue 2187 ASN Chi-restraints excluded: chain D residue 2191 PHE Chi-restraints excluded: chain D residue 2192 TYR Chi-restraints excluded: chain D residue 2194 HIS Chi-restraints excluded: chain D residue 2198 MET Chi-restraints excluded: chain D residue 2203 MET Chi-restraints excluded: chain D residue 2210 VAL Chi-restraints excluded: chain D residue 2215 LEU Chi-restraints excluded: chain D residue 2223 ILE Chi-restraints excluded: chain D residue 2240 CYS Chi-restraints excluded: chain D residue 2243 SER Chi-restraints excluded: chain D residue 2245 GLN Chi-restraints excluded: chain D residue 2246 ASN Chi-restraints excluded: chain D residue 2249 SER Chi-restraints excluded: chain D residue 2253 HIS Chi-restraints excluded: chain D residue 2273 LEU Chi-restraints excluded: chain D residue 2274 ASP Chi-restraints excluded: chain D residue 2275 VAL Chi-restraints excluded: chain D residue 2279 SER Chi-restraints excluded: chain D residue 2281 ILE Chi-restraints excluded: chain D residue 2286 LEU Chi-restraints excluded: chain D residue 2290 LEU Chi-restraints excluded: chain D residue 2291 GLN Chi-restraints excluded: chain D residue 2292 GLU Chi-restraints excluded: chain D residue 2299 VAL Chi-restraints excluded: chain D residue 2300 SER Chi-restraints excluded: chain D residue 2301 TYR Chi-restraints excluded: chain D residue 2302 LEU Chi-restraints excluded: chain D residue 2319 PRO Chi-restraints excluded: chain D residue 2336 ARG Chi-restraints excluded: chain D residue 2339 VAL Chi-restraints excluded: chain D residue 2341 VAL Chi-restraints excluded: chain D residue 2342 ASN Chi-restraints excluded: chain D residue 2358 ILE Chi-restraints excluded: chain D residue 2364 PHE Chi-restraints excluded: chain D residue 2418 LEU Chi-restraints excluded: chain D residue 2420 HIS Chi-restraints excluded: chain D residue 2438 PRO Chi-restraints excluded: chain D residue 2442 LEU Chi-restraints excluded: chain D residue 2443 ILE Chi-restraints excluded: chain D residue 2449 GLU Chi-restraints excluded: chain D residue 2451 LEU Chi-restraints excluded: chain D residue 2456 ILE Chi-restraints excluded: chain D residue 2457 LEU Chi-restraints excluded: chain D residue 2458 ARG Chi-restraints excluded: chain D residue 2460 LEU Chi-restraints excluded: chain D residue 2470 ILE Chi-restraints excluded: chain D residue 2472 LEU Chi-restraints excluded: chain D residue 2742 THR Chi-restraints excluded: chain D residue 2752 ASP Chi-restraints excluded: chain D residue 2761 TYR Chi-restraints excluded: chain D residue 2762 THR Chi-restraints excluded: chain D residue 2777 TYR Chi-restraints excluded: chain D residue 2779 GLU Chi-restraints excluded: chain D residue 2785 LEU Chi-restraints excluded: chain D residue 2799 GLU Chi-restraints excluded: chain D residue 2806 ARG Chi-restraints excluded: chain D residue 2807 TRP Chi-restraints excluded: chain D residue 2809 ILE Chi-restraints excluded: chain D residue 2812 SER Chi-restraints excluded: chain D residue 2869 ARG Chi-restraints excluded: chain D residue 2882 TYR Chi-restraints excluded: chain D residue 2883 HIS Chi-restraints excluded: chain D residue 2892 GLN Chi-restraints excluded: chain D residue 2894 LEU Chi-restraints excluded: chain D residue 2895 GLU Chi-restraints excluded: chain D residue 2901 THR Chi-restraints excluded: chain D residue 2904 LEU Chi-restraints excluded: chain D residue 2912 THR Chi-restraints excluded: chain D residue 2932 MET Chi-restraints excluded: chain D residue 3641 LEU Chi-restraints excluded: chain D residue 3642 TYR Chi-restraints excluded: chain D residue 3643 ASN Chi-restraints excluded: chain D residue 3647 HIS Chi-restraints excluded: chain D residue 3648 ARG Chi-restraints excluded: chain D residue 3656 SER Chi-restraints excluded: chain D residue 3657 TYR Chi-restraints excluded: chain D residue 3658 LYS Chi-restraints excluded: chain D residue 3661 TRP Chi-restraints excluded: chain D residue 3663 LEU Chi-restraints excluded: chain D residue 3669 PHE Chi-restraints excluded: chain D residue 3671 ASP Chi-restraints excluded: chain D residue 3673 MET Chi-restraints excluded: chain D residue 3674 ILE Chi-restraints excluded: chain D residue 3677 LEU Chi-restraints excluded: chain D residue 3678 SER Chi-restraints excluded: chain D residue 3696 ASP Chi-restraints excluded: chain D residue 3703 LEU Chi-restraints excluded: chain D residue 3706 SER Chi-restraints excluded: chain D residue 3708 THR Chi-restraints excluded: chain D residue 3710 LEU Chi-restraints excluded: chain D residue 3711 THR Chi-restraints excluded: chain D residue 3712 GLU Chi-restraints excluded: chain D residue 3727 ASP Chi-restraints excluded: chain D residue 3733 CYS Chi-restraints excluded: chain D residue 3751 VAL Chi-restraints excluded: chain D residue 3752 SER Chi-restraints excluded: chain D residue 3753 PHE Chi-restraints excluded: chain D residue 3761 GLN Chi-restraints excluded: chain D residue 3762 ARG Chi-restraints excluded: chain D residue 3764 LEU Chi-restraints excluded: chain D residue 3768 SER Chi-restraints excluded: chain D residue 3783 ILE Chi-restraints excluded: chain D residue 3790 THR Chi-restraints excluded: chain D residue 3794 VAL Chi-restraints excluded: chain D residue 3795 SER Chi-restraints excluded: chain D residue 3803 SER Chi-restraints excluded: chain D residue 3804 ILE Chi-restraints excluded: chain D residue 3805 LEU Chi-restraints excluded: chain D residue 3809 ASN Chi-restraints excluded: chain D residue 3822 ASP Chi-restraints excluded: chain D residue 3825 GLU Chi-restraints excluded: chain D residue 3830 GLN Chi-restraints excluded: chain D residue 3832 ILE Chi-restraints excluded: chain D residue 3835 LEU Chi-restraints excluded: chain D residue 3836 MET Chi-restraints excluded: chain D residue 3838 THR Chi-restraints excluded: chain D residue 3842 LEU Chi-restraints excluded: chain D residue 3886 ARG Chi-restraints excluded: chain D residue 3890 LEU Chi-restraints excluded: chain D residue 3892 CYS Chi-restraints excluded: chain D residue 3893 GLU Chi-restraints excluded: chain D residue 3899 PHE Chi-restraints excluded: chain D residue 3905 THR Chi-restraints excluded: chain D residue 3907 THR Chi-restraints excluded: chain D residue 3910 THR Chi-restraints excluded: chain D residue 3911 THR Chi-restraints excluded: chain D residue 3913 ILE Chi-restraints excluded: chain D residue 3919 THR Chi-restraints excluded: chain D residue 3920 VAL Chi-restraints excluded: chain D residue 3930 ILE Chi-restraints excluded: chain D residue 3938 SER Chi-restraints excluded: chain D residue 3950 ASN Chi-restraints excluded: chain D residue 3952 SER Chi-restraints excluded: chain D residue 3964 SER Chi-restraints excluded: chain D residue 3966 THR Chi-restraints excluded: chain D residue 3973 CYS Chi-restraints excluded: chain D residue 3974 THR Chi-restraints excluded: chain D residue 3979 SER Chi-restraints excluded: chain D residue 3984 ARG Chi-restraints excluded: chain D residue 4001 MET Chi-restraints excluded: chain D residue 4021 LYS Chi-restraints excluded: chain D residue 4035 VAL Chi-restraints excluded: chain D residue 4040 ILE Chi-restraints excluded: chain D residue 4045 VAL Chi-restraints excluded: chain D residue 4052 SER Chi-restraints excluded: chain D residue 4053 SER Chi-restraints excluded: chain D residue 4054 ASN Chi-restraints excluded: chain D residue 4066 LEU Chi-restraints excluded: chain D residue 4072 VAL Chi-restraints excluded: chain D residue 4074 SER Chi-restraints excluded: chain D residue 4081 VAL 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 4092 ASP Chi-restraints excluded: chain D residue 4097 MET Chi-restraints excluded: chain D residue 4098 ASP Chi-restraints excluded: chain D residue 4100 GLN Chi-restraints excluded: chain D residue 4102 GLN Chi-restraints excluded: chain D residue 4104 THR Chi-restraints excluded: chain D residue 4108 ILE Chi-restraints excluded: chain D residue 4113 SER Chi-restraints excluded: chain D residue 4114 CYS Chi-restraints excluded: chain D residue 4115 SER Chi-restraints excluded: chain D residue 4116 GLU Chi-restraints excluded: chain D residue 4118 ASP Chi-restraints excluded: chain D residue 4123 ILE Chi-restraints excluded: chain D residue 4127 GLU Chi-restraints excluded: chain D residue 4132 PHE Chi-restraints excluded: chain D residue 4142 ASN Chi-restraints excluded: chain D residue 4151 SER Chi-restraints excluded: chain D residue 4152 GLU Chi-restraints excluded: chain D residue 4157 ASP Chi-restraints excluded: chain D residue 4161 ARG Chi-restraints excluded: chain D residue 4166 LEU Chi-restraints excluded: chain D residue 4168 GLU Chi-restraints excluded: chain D residue 4170 ILE Chi-restraints excluded: chain D residue 4180 ARG Chi-restraints excluded: chain D residue 4182 GLU Chi-restraints excluded: chain D residue 4183 ILE Chi-restraints excluded: chain D residue 4187 SER Chi-restraints excluded: chain D residue 4190 ILE Chi-restraints excluded: chain D residue 4196 GLU Chi-restraints excluded: chain D residue 4197 ILE Chi-restraints excluded: chain D residue 4199 GLU Chi-restraints excluded: chain D residue 4205 TRP Chi-restraints excluded: chain D residue 4213 SER Chi-restraints excluded: chain D residue 4217 PHE Chi-restraints excluded: chain D residue 4221 VAL Chi-restraints excluded: chain D residue 4241 THR Chi-restraints excluded: chain D residue 4246 GLN Chi-restraints excluded: chain D residue 4251 ILE Chi-restraints excluded: chain D residue 4549 VAL Chi-restraints excluded: chain D residue 4552 LEU Chi-restraints excluded: chain D residue 4553 ASN Chi-restraints excluded: chain D residue 4561 THR Chi-restraints excluded: chain D residue 4562 LEU Chi-restraints excluded: chain D residue 4563 ARG Chi-restraints excluded: chain D residue 4569 LEU Chi-restraints excluded: chain D residue 4571 PHE Chi-restraints excluded: chain D residue 4573 ILE Chi-restraints excluded: chain D residue 4580 TYR Chi-restraints excluded: chain D residue 4628 VAL Chi-restraints excluded: chain D residue 4631 PHE Chi-restraints excluded: chain D residue 4632 LEU Chi-restraints excluded: chain D residue 4634 GLU Chi-restraints excluded: chain D residue 4639 MET Chi-restraints excluded: chain D residue 4643 LEU Chi-restraints excluded: chain D residue 4648 LEU Chi-restraints excluded: chain D residue 4651 THR Chi-restraints excluded: chain D residue 4670 ILE Chi-restraints excluded: chain D residue 4676 GLU Chi-restraints excluded: chain D residue 4682 GLU Chi-restraints excluded: chain D residue 4688 ILE Chi-restraints excluded: chain D residue 4695 ASP Chi-restraints excluded: chain D residue 4698 LYS Chi-restraints excluded: chain D residue 4723 LYS Chi-restraints excluded: chain D residue 4724 VAL Chi-restraints excluded: chain D residue 4728 HIS Chi-restraints excluded: chain D residue 4736 ARG Chi-restraints excluded: chain D residue 4741 LEU Chi-restraints excluded: chain D residue 4743 MET Chi-restraints excluded: chain D residue 4744 ASP Chi-restraints excluded: chain D residue 4751 THR Chi-restraints excluded: chain D residue 4765 LEU Chi-restraints excluded: chain D residue 4768 LEU Chi-restraints excluded: chain D residue 4770 SER Chi-restraints excluded: chain D residue 4773 VAL Chi-restraints excluded: chain D residue 4782 VAL Chi-restraints excluded: chain D residue 4788 SER Chi-restraints excluded: chain D residue 4796 MET Chi-restraints excluded: chain D residue 4797 VAL Chi-restraints excluded: chain D residue 4799 SER Chi-restraints excluded: chain D residue 4804 TYR Chi-restraints excluded: chain D residue 4816 ILE Chi-restraints excluded: chain D residue 4818 MET Chi-restraints excluded: chain D residue 4822 THR Chi-restraints excluded: chain D residue 4827 LEU Chi-restraints excluded: chain D residue 4828 SER Chi-restraints excluded: chain D residue 4831 THR Chi-restraints excluded: chain D residue 4840 THR Chi-restraints excluded: chain D residue 4852 THR Chi-restraints excluded: chain D residue 4856 PHE Chi-restraints excluded: chain D residue 4858 PHE Chi-restraints excluded: chain D residue 4860 ARG Chi-restraints excluded: chain D residue 4861 LYS Chi-restraints excluded: chain D residue 4868 ASP Chi-restraints excluded: chain D residue 4870 ASP Chi-restraints excluded: chain D residue 4873 ASP Chi-restraints excluded: chain D residue 4876 CYS Chi-restraints excluded: chain D residue 4879 MET Chi-restraints excluded: chain D residue 4881 THR Chi-restraints excluded: chain D residue 4887 MET Chi-restraints excluded: chain D residue 4888 TYR Chi-restraints excluded: chain D residue 4891 VAL Chi-restraints excluded: chain D residue 4901 ILE Chi-restraints excluded: chain D residue 4910 GLU Chi-restraints excluded: chain D residue 4915 VAL Chi-restraints excluded: chain D residue 4916 PHE Chi-restraints excluded: chain D residue 4917 ASP Chi-restraints excluded: chain D residue 4919 THR Chi-restraints excluded: chain D residue 4925 ILE Chi-restraints excluded: chain D residue 4928 LEU Chi-restraints excluded: chain D residue 4937 ILE Chi-restraints excluded: chain D residue 4938 ASP Chi-restraints excluded: chain D residue 4947 GLN Chi-restraints excluded: chain D residue 4950 VAL Chi-restraints excluded: chain D residue 4952 GLU Chi-restraints excluded: chain D residue 4953 ASP Chi-restraints excluded: chain D residue 4957 LYS Chi-restraints excluded: chain D residue 4961 CYS Chi-restraints excluded: chain D residue 4963 ILE Chi-restraints excluded: chain D residue 4965 SER Chi-restraints excluded: chain D residue 4967 TYR Chi-restraints excluded: chain D residue 4970 THR Chi-restraints excluded: chain D residue 4977 THR Chi-restraints excluded: chain D residue 4979 THR Chi-restraints excluded: chain D residue 4983 HIS Chi-restraints excluded: chain D residue 4985 LEU Chi-restraints excluded: chain D residue 4989 MET Chi-restraints excluded: chain D residue 4997 ASN Chi-restraints excluded: chain D residue 5008 SER Chi-restraints excluded: chain D residue 5016 GLU Chi-restraints excluded: chain D residue 5018 CYS Chi-restraints excluded: chain D residue 5020 ASP Chi-restraints excluded: chain D residue 5021 PHE Chi-restraints excluded: chain D residue 5030 LYS Chi-restraints excluded: chain D residue 5034 ASP Chi-restraints excluded: chain D residue 5036 LEU Chi-restraints excluded: chain D residue 5037 SER Chi-restraints excluded: chain B residue 13 PHE Chi-restraints excluded: chain B residue 15 ARG Chi-restraints excluded: chain B residue 17 ASP Chi-restraints excluded: chain B residue 20 VAL Chi-restraints excluded: chain B residue 21 VAL Chi-restraints excluded: chain B residue 24 CYS Chi-restraints excluded: chain B residue 28 VAL Chi-restraints excluded: chain B residue 37 LEU Chi-restraints excluded: chain B residue 49 LEU Chi-restraints excluded: chain B residue 50 GLU Chi-restraints excluded: chain B residue 57 ASN Chi-restraints excluded: chain B residue 58 VAL Chi-restraints excluded: chain B residue 64 ILE Chi-restraints excluded: chain B residue 68 THR Chi-restraints excluded: chain B residue 71 GLN Chi-restraints excluded: chain B residue 74 SER Chi-restraints excluded: chain B residue 75 VAL Chi-restraints excluded: chain B residue 80 GLU Chi-restraints excluded: chain B residue 81 MET Chi-restraints excluded: chain B residue 82 LEU Chi-restraints excluded: chain B residue 98 HIS Chi-restraints excluded: chain B residue 107 ILE Chi-restraints excluded: chain B residue 114 SER Chi-restraints excluded: chain B residue 119 SER Chi-restraints excluded: chain B residue 131 LEU Chi-restraints excluded: chain B residue 138 GLN Chi-restraints excluded: chain B residue 144 GLU Chi-restraints excluded: chain B residue 149 THR Chi-restraints excluded: chain B residue 150 MET Chi-restraints excluded: chain B residue 151 HIS Chi-restraints excluded: chain B residue 154 SER Chi-restraints excluded: chain B residue 159 GLU Chi-restraints excluded: chain B residue 161 GLU Chi-restraints excluded: chain B residue 162 LYS Chi-restraints excluded: chain B residue 163 VAL Chi-restraints excluded: chain B residue 164 ARG Chi-restraints excluded: chain B residue 165 VAL Chi-restraints excluded: chain B residue 167 ASP Chi-restraints excluded: chain B residue 170 ILE Chi-restraints excluded: chain B residue 173 SER Chi-restraints excluded: chain B residue 174 VAL Chi-restraints excluded: chain B residue 189 LEU Chi-restraints excluded: chain B residue 192 ASP Chi-restraints excluded: chain B residue 194 SER Chi-restraints excluded: chain B residue 206 CYS Chi-restraints excluded: chain B residue 210 GLU Chi-restraints excluded: chain B residue 211 GLU Chi-restraints excluded: chain B residue 215 THR Chi-restraints excluded: chain B residue 219 VAL Chi-restraints excluded: chain B residue 222 LEU Chi-restraints excluded: chain B residue 226 HIS Chi-restraints excluded: chain B residue 229 GLU Chi-restraints excluded: chain B residue 232 THR Chi-restraints excluded: chain B residue 240 ASP Chi-restraints excluded: chain B residue 243 ARG Chi-restraints excluded: chain B residue 248 GLU Chi-restraints excluded: chain B residue 258 SER Chi-restraints excluded: chain B residue 260 TRP Chi-restraints excluded: chain B residue 262 LEU Chi-restraints excluded: chain B residue 267 ILE Chi-restraints excluded: chain B residue 272 SER Chi-restraints excluded: chain B residue 275 ARG Chi-restraints excluded: chain B residue 276 TRP Chi-restraints excluded: chain B residue 278 GLN Chi-restraints excluded: chain B residue 281 ARG Chi-restraints excluded: chain B residue 283 ARG Chi-restraints excluded: chain B residue 285 VAL Chi-restraints excluded: chain B residue 286 THR Chi-restraints excluded: chain B residue 287 THR Chi-restraints excluded: chain B residue 299 LEU Chi-restraints excluded: chain B residue 300 VAL Chi-restraints excluded: chain B residue 302 VAL Chi-restraints excluded: chain B residue 303 ASP Chi-restraints excluded: chain B residue 306 LYS Chi-restraints excluded: chain B residue 312 THR Chi-restraints excluded: chain B residue 313 SER Chi-restraints excluded: chain B residue 318 VAL Chi-restraints excluded: chain B residue 320 LYS Chi-restraints excluded: chain B residue 334 MET Chi-restraints excluded: chain B residue 343 GLU Chi-restraints excluded: chain B residue 345 LEU Chi-restraints excluded: chain B residue 348 VAL Chi-restraints excluded: chain B residue 357 LEU Chi-restraints excluded: chain B residue 358 THR Chi-restraints excluded: chain B residue 359 TYR Chi-restraints excluded: chain B residue 373 LYS Chi-restraints excluded: chain B residue 381 GLU 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 390 LEU Chi-restraints excluded: chain B residue 396 GLU Chi-restraints excluded: chain B residue 416 LYS Chi-restraints excluded: chain B residue 419 ASP Chi-restraints excluded: chain B residue 422 SER Chi-restraints excluded: chain B residue 424 LYS Chi-restraints excluded: chain B residue 436 LEU Chi-restraints excluded: chain B residue 444 SER Chi-restraints excluded: chain B residue 453 GLU Chi-restraints excluded: chain B residue 455 PRO Chi-restraints excluded: chain B residue 456 SER Chi-restraints excluded: chain B residue 457 GLU Chi-restraints excluded: chain B residue 459 LEU Chi-restraints excluded: chain B residue 469 ARG Chi-restraints excluded: chain B residue 470 SER Chi-restraints excluded: chain B residue 472 ARG Chi-restraints excluded: chain B residue 476 SER Chi-restraints excluded: chain B residue 477 LEU Chi-restraints excluded: chain B residue 478 PHE Chi-restraints excluded: chain B residue 483 MET Chi-restraints excluded: chain B residue 487 VAL Chi-restraints excluded: chain B residue 488 LEU Chi-restraints excluded: chain B residue 494 LEU Chi-restraints excluded: chain B residue 497 TYR Chi-restraints excluded: chain B residue 498 THR Chi-restraints excluded: chain B residue 499 THR Chi-restraints excluded: chain B residue 503 PHE Chi-restraints excluded: chain B residue 510 GLU Chi-restraints excluded: chain B residue 514 SER Chi-restraints excluded: chain B residue 521 LEU Chi-restraints excluded: chain B residue 526 LEU Chi-restraints excluded: chain B residue 534 ARG Chi-restraints excluded: chain B residue 537 CYS Chi-restraints excluded: chain B residue 542 THR Chi-restraints excluded: chain B residue 545 ASP Chi-restraints excluded: chain B residue 549 SER Chi-restraints excluded: chain B residue 553 ARG Chi-restraints excluded: chain B residue 557 SER Chi-restraints excluded: chain B residue 566 CYS Chi-restraints excluded: chain B residue 569 ILE Chi-restraints excluded: chain B residue 570 GLU Chi-restraints excluded: chain B residue 573 GLU Chi-restraints excluded: chain B residue 578 ILE Chi-restraints excluded: chain B residue 581 ASN Chi-restraints excluded: chain B residue 587 ILE Chi-restraints excluded: chain B residue 590 LEU Chi-restraints excluded: chain B residue 600 LEU Chi-restraints excluded: chain B residue 608 VAL Chi-restraints excluded: chain B residue 614 VAL Chi-restraints excluded: chain B residue 616 SER Chi-restraints excluded: chain B residue 622 THR Chi-restraints excluded: chain B residue 624 ASN Chi-restraints excluded: chain B residue 629 ARG Chi-restraints excluded: chain B residue 634 GLN Chi-restraints excluded: chain B residue 637 LEU Chi-restraints excluded: chain B residue 641 VAL Chi-restraints excluded: chain B residue 643 SER Chi-restraints excluded: chain B residue 648 ILE Chi-restraints excluded: chain B residue 650 VAL Chi-restraints excluded: chain B residue 659 TYR Chi-restraints excluded: chain B residue 662 TRP Chi-restraints excluded: chain B residue 663 TYR Chi-restraints excluded: chain B residue 668 VAL Chi-restraints excluded: chain B residue 669 ASP Chi-restraints excluded: chain B residue 671 VAL Chi-restraints excluded: chain B residue 675 LEU Chi-restraints excluded: chain B residue 680 THR Chi-restraints excluded: chain B residue 683 ARG Chi-restraints excluded: chain B residue 684 VAL Chi-restraints excluded: chain B residue 692 TYR Chi-restraints excluded: chain B residue 700 GLU Chi-restraints excluded: chain B residue 707 VAL Chi-restraints excluded: chain B residue 710 ASP Chi-restraints excluded: chain B residue 716 PHE Chi-restraints excluded: chain B residue 719 LEU Chi-restraints excluded: chain B residue 720 HIS Chi-restraints excluded: chain B residue 726 VAL Chi-restraints excluded: chain B residue 730 VAL Chi-restraints excluded: chain B residue 735 GLN Chi-restraints excluded: chain B residue 737 LEU Chi-restraints excluded: chain B residue 744 VAL Chi-restraints excluded: chain B residue 749 ASP Chi-restraints excluded: chain B residue 751 SER Chi-restraints excluded: chain B residue 752 VAL Chi-restraints excluded: chain B residue 754 SER Chi-restraints excluded: chain B residue 758 ARG Chi-restraints excluded: chain B residue 760 ASN Chi-restraints excluded: chain B residue 776 LEU Chi-restraints excluded: chain B residue 780 VAL Chi-restraints excluded: chain B residue 784 SER Chi-restraints excluded: chain B residue 787 VAL Chi-restraints excluded: chain B residue 788 LYS Chi-restraints excluded: chain B residue 791 PHE Chi-restraints excluded: chain B residue 793 LEU Chi-restraints excluded: chain B residue 800 PHE Chi-restraints excluded: chain B residue 803 LEU Chi-restraints excluded: chain B residue 812 HIS Chi-restraints excluded: chain B residue 835 ARG Chi-restraints excluded: chain B residue 840 VAL Chi-restraints excluded: chain B residue 850 ASP Chi-restraints excluded: chain B residue 867 LEU Chi-restraints excluded: chain B residue 868 GLU Chi-restraints excluded: chain B residue 869 ARG Chi-restraints excluded: chain B residue 870 ILE Chi-restraints excluded: chain B residue 887 ILE Chi-restraints excluded: chain B residue 891 TRP Chi-restraints excluded: chain B residue 893 TYR Chi-restraints excluded: chain B residue 907 LEU Chi-restraints excluded: chain B residue 939 VAL Chi-restraints excluded: chain B residue 944 GLU Chi-restraints excluded: chain B residue 974 HIS Chi-restraints excluded: chain B residue 978 THR Chi-restraints excluded: chain B residue 1034 SER Chi-restraints excluded: chain B residue 1036 ARG Chi-restraints excluded: chain B residue 1037 ASP Chi-restraints excluded: chain B residue 1044 ARG Chi-restraints excluded: chain B residue 1046 LEU Chi-restraints excluded: chain B residue 1076 ARG Chi-restraints excluded: chain B residue 1079 LYS Chi-restraints excluded: chain B residue 1080 SER Chi-restraints excluded: chain B residue 1082 THR Chi-restraints excluded: chain B residue 1083 VAL Chi-restraints excluded: chain B residue 1099 GLU Chi-restraints excluded: chain B residue 1102 VAL Chi-restraints excluded: chain B residue 1110 ARG Chi-restraints excluded: chain B residue 1112 ASP Chi-restraints excluded: chain B residue 1113 VAL Chi-restraints excluded: chain B residue 1120 LEU Chi-restraints excluded: chain B residue 1123 VAL Chi-restraints excluded: chain B residue 1127 HIS Chi-restraints excluded: chain B residue 1133 HIS Chi-restraints excluded: chain B residue 1134 LEU Chi-restraints excluded: chain B residue 1139 PHE Chi-restraints excluded: chain B residue 1141 ARG Chi-restraints excluded: chain B residue 1148 VAL Chi-restraints excluded: chain B residue 1149 VAL 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 1159 THR Chi-restraints excluded: chain B residue 1164 LEU Chi-restraints excluded: chain B residue 1179 PHE Chi-restraints excluded: chain B residue 1184 ILE Chi-restraints excluded: chain B residue 1191 VAL Chi-restraints excluded: chain B residue 1193 SER Chi-restraints excluded: chain B residue 1198 GLN Chi-restraints excluded: chain B residue 1201 HIS 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 1210 SER Chi-restraints excluded: chain B residue 1214 PHE Chi-restraints excluded: chain B residue 1230 MET Chi-restraints excluded: chain B residue 1232 ARG Chi-restraints excluded: chain B residue 1234 VAL Chi-restraints excluded: chain B residue 1238 PHE Chi-restraints excluded: chain B residue 1240 LYS Chi-restraints excluded: chain B residue 1241 SER Chi-restraints excluded: chain B residue 1242 LEU Chi-restraints excluded: chain B residue 1255 TYR Chi-restraints excluded: chain B residue 1260 MET Chi-restraints excluded: chain B residue 1266 THR Chi-restraints excluded: chain B residue 1574 PRO 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 1608 MET Chi-restraints excluded: chain B residue 1612 PHE Chi-restraints excluded: chain B residue 1630 CYS Chi-restraints excluded: chain B residue 1635 THR Chi-restraints excluded: chain B residue 1637 MET Chi-restraints excluded: chain B residue 1639 LEU Chi-restraints excluded: chain B residue 1647 CYS Chi-restraints excluded: chain B residue 1648 MET Chi-restraints excluded: chain B residue 1652 GLU Chi-restraints excluded: chain B residue 1653 LEU Chi-restraints excluded: chain B residue 1654 SER Chi-restraints excluded: chain B residue 1655 GLU Chi-restraints excluded: chain B residue 1657 LEU Chi-restraints excluded: chain B residue 1664 SER Chi-restraints excluded: chain B residue 1666 THR Chi-restraints excluded: chain B residue 1671 ARG Chi-restraints excluded: chain B residue 1681 VAL Chi-restraints excluded: chain B residue 1687 SER Chi-restraints excluded: chain B residue 1689 VAL Chi-restraints excluded: chain B residue 1693 GLN Chi-restraints excluded: chain B residue 1695 LEU Chi-restraints excluded: chain B residue 1700 ASP Chi-restraints excluded: chain B residue 1702 HIS Chi-restraints excluded: chain B residue 1703 LEU Chi-restraints excluded: chain B residue 1706 PRO Chi-restraints excluded: chain B residue 1714 LEU Chi-restraints excluded: chain B residue 1716 ILE Chi-restraints excluded: chain B residue 1717 SER Chi-restraints excluded: chain B residue 1720 LEU Chi-restraints excluded: chain B residue 1721 GLU Chi-restraints excluded: chain B residue 1724 CYS Chi-restraints excluded: chain B residue 1727 ARG Chi-restraints excluded: chain B residue 1730 MET Chi-restraints excluded: chain B residue 1731 LEU Chi-restraints excluded: chain B residue 1733 GLU Chi-restraints excluded: chain B residue 1736 VAL Chi-restraints excluded: chain B residue 1742 THR Chi-restraints excluded: chain B residue 1745 ILE Chi-restraints excluded: chain B residue 1765 VAL Chi-restraints excluded: chain B residue 1768 THR Chi-restraints excluded: chain B residue 1769 THR Chi-restraints excluded: chain B residue 1771 LEU Chi-restraints excluded: chain B residue 1776 HIS Chi-restraints excluded: chain B residue 1783 VAL Chi-restraints excluded: chain B residue 1786 LEU Chi-restraints excluded: chain B residue 1797 ARG Chi-restraints excluded: chain B residue 1802 ILE Chi-restraints excluded: chain B residue 1813 ARG Chi-restraints excluded: chain B residue 1817 GLU Chi-restraints excluded: chain B residue 1830 VAL Chi-restraints excluded: chain B residue 1833 SER Chi-restraints excluded: chain B residue 1834 VAL Chi-restraints excluded: chain B residue 1845 VAL Chi-restraints excluded: chain B residue 1847 THR Chi-restraints excluded: chain B residue 1850 VAL Chi-restraints excluded: chain B residue 1862 ILE Chi-restraints excluded: chain B residue 1934 SER Chi-restraints excluded: chain B residue 1935 VAL Chi-restraints excluded: chain B residue 1947 CYS Chi-restraints excluded: chain B residue 1950 GLU Chi-restraints excluded: chain B residue 1953 HIS Chi-restraints excluded: chain B residue 1955 VAL Chi-restraints excluded: chain B residue 1963 GLU Chi-restraints excluded: chain B residue 1965 TYR Chi-restraints excluded: chain B residue 1969 LEU Chi-restraints excluded: chain B residue 1973 GLN Chi-restraints excluded: chain B residue 1980 LEU Chi-restraints excluded: chain B residue 2006 ILE Chi-restraints excluded: chain B residue 2010 LEU Chi-restraints excluded: chain B residue 2011 HIS Chi-restraints excluded: chain B residue 2027 ILE Chi-restraints excluded: chain B residue 2031 LEU Chi-restraints excluded: chain B residue 2032 GLN Chi-restraints excluded: chain B residue 2039 LEU Chi-restraints excluded: chain B residue 2041 HIS Chi-restraints excluded: chain B residue 2097 LEU Chi-restraints excluded: chain B residue 2098 VAL Chi-restraints excluded: chain B residue 2099 SER Chi-restraints excluded: chain B residue 2103 VAL Chi-restraints excluded: chain B residue 2117 VAL Chi-restraints excluded: chain B residue 2122 SER Chi-restraints excluded: chain B residue 2126 ARG Chi-restraints excluded: chain B residue 2140 ARG Chi-restraints excluded: chain B residue 2148 SER Chi-restraints excluded: chain B residue 2152 THR Chi-restraints excluded: chain B residue 2162 ILE Chi-restraints excluded: chain B residue 2164 SER Chi-restraints excluded: chain B residue 2166 LEU Chi-restraints excluded: chain B residue 2167 ILE Chi-restraints excluded: chain B residue 2172 PRO Chi-restraints excluded: chain B residue 2187 ASN Chi-restraints excluded: chain B residue 2191 PHE Chi-restraints excluded: chain B residue 2192 TYR Chi-restraints excluded: chain B residue 2194 HIS Chi-restraints excluded: chain B residue 2198 MET Chi-restraints excluded: chain B residue 2203 MET Chi-restraints excluded: chain B residue 2210 VAL Chi-restraints excluded: chain B residue 2215 LEU Chi-restraints excluded: chain B residue 2223 ILE Chi-restraints excluded: chain B residue 2240 CYS Chi-restraints excluded: chain B residue 2243 SER Chi-restraints excluded: chain B residue 2245 GLN Chi-restraints excluded: chain B residue 2246 ASN Chi-restraints excluded: chain B residue 2249 SER Chi-restraints excluded: chain B residue 2253 HIS Chi-restraints excluded: chain B residue 2273 LEU Chi-restraints excluded: chain B residue 2274 ASP Chi-restraints excluded: chain B residue 2275 VAL Chi-restraints excluded: chain B residue 2279 SER Chi-restraints excluded: chain B residue 2281 ILE Chi-restraints excluded: chain B residue 2286 LEU Chi-restraints excluded: chain B residue 2290 LEU Chi-restraints excluded: chain B residue 2291 GLN Chi-restraints excluded: chain B residue 2292 GLU Chi-restraints excluded: chain B residue 2299 VAL Chi-restraints excluded: chain B residue 2300 SER Chi-restraints excluded: chain B residue 2301 TYR Chi-restraints excluded: chain B residue 2302 LEU Chi-restraints excluded: chain B residue 2336 ARG Chi-restraints excluded: chain B residue 2339 VAL Chi-restraints excluded: chain B residue 2341 VAL Chi-restraints excluded: chain B residue 2364 PHE Chi-restraints excluded: chain B residue 2418 LEU Chi-restraints excluded: chain B residue 2420 HIS Chi-restraints excluded: chain B residue 2438 PRO Chi-restraints excluded: chain B residue 2442 LEU Chi-restraints excluded: chain B residue 2443 ILE Chi-restraints excluded: chain B residue 2451 LEU Chi-restraints excluded: chain B residue 2456 ILE Chi-restraints excluded: chain B residue 2457 LEU Chi-restraints excluded: chain B residue 2458 ARG Chi-restraints excluded: chain B residue 2460 LEU Chi-restraints excluded: chain B residue 2470 ILE Chi-restraints excluded: chain B residue 2472 LEU Chi-restraints excluded: chain B residue 2742 THR Chi-restraints excluded: chain B residue 2751 LEU Chi-restraints excluded: chain B residue 2752 ASP Chi-restraints excluded: chain B residue 2761 TYR Chi-restraints excluded: chain B residue 2762 THR Chi-restraints excluded: chain B residue 2777 TYR Chi-restraints excluded: chain B residue 2779 GLU Chi-restraints excluded: chain B residue 2799 GLU Chi-restraints excluded: chain B residue 2806 ARG Chi-restraints excluded: chain B residue 2807 TRP Chi-restraints excluded: chain B residue 2811 GLU Chi-restraints excluded: chain B residue 2812 SER Chi-restraints excluded: chain B residue 2869 ARG Chi-restraints excluded: chain B residue 2872 GLN Chi-restraints excluded: chain B residue 2882 TYR Chi-restraints excluded: chain B residue 2883 HIS Chi-restraints excluded: chain B residue 2884 ASN Chi-restraints excluded: chain B residue 2889 LYS Chi-restraints excluded: chain B residue 2891 LYS Chi-restraints excluded: chain B residue 2892 GLN Chi-restraints excluded: chain B residue 2895 GLU Chi-restraints excluded: chain B residue 2901 THR Chi-restraints excluded: chain B residue 2912 THR Chi-restraints excluded: chain B residue 2928 LYS Chi-restraints excluded: chain B residue 2932 MET Chi-restraints excluded: chain B residue 3641 LEU Chi-restraints excluded: chain B residue 3642 TYR Chi-restraints excluded: chain B residue 3643 ASN Chi-restraints excluded: chain B residue 3647 HIS Chi-restraints excluded: chain B residue 3648 ARG Chi-restraints excluded: chain B residue 3656 SER Chi-restraints excluded: chain B residue 3657 TYR Chi-restraints excluded: chain B residue 3658 LYS Chi-restraints excluded: chain B residue 3661 TRP Chi-restraints excluded: chain B residue 3663 LEU Chi-restraints excluded: chain B residue 3669 PHE Chi-restraints excluded: chain B residue 3671 ASP Chi-restraints excluded: chain B residue 3672 ARG Chi-restraints excluded: chain B residue 3673 MET Chi-restraints excluded: chain B residue 3674 ILE Chi-restraints excluded: chain B residue 3678 SER Chi-restraints excluded: chain B residue 3696 ASP Chi-restraints excluded: chain B residue 3703 LEU Chi-restraints excluded: chain B residue 3706 SER Chi-restraints excluded: chain B residue 3708 THR Chi-restraints excluded: chain B residue 3710 LEU Chi-restraints excluded: chain B residue 3711 THR Chi-restraints excluded: chain B residue 3712 GLU Chi-restraints excluded: chain B residue 3727 ASP Chi-restraints excluded: chain B residue 3733 CYS Chi-restraints excluded: chain B residue 3751 VAL Chi-restraints excluded: chain B residue 3752 SER Chi-restraints excluded: chain B residue 3753 PHE Chi-restraints excluded: chain B residue 3761 GLN Chi-restraints excluded: chain B residue 3762 ARG Chi-restraints excluded: chain B residue 3764 LEU Chi-restraints excluded: chain B residue 3768 SER Chi-restraints excluded: chain B residue 3790 THR Chi-restraints excluded: chain B residue 3794 VAL Chi-restraints excluded: chain B residue 3795 SER Chi-restraints excluded: chain B residue 3803 SER Chi-restraints excluded: chain B residue 3804 ILE Chi-restraints excluded: chain B residue 3805 LEU Chi-restraints excluded: chain B residue 3809 ASN Chi-restraints excluded: chain B residue 3822 ASP Chi-restraints excluded: chain B residue 3825 GLU Chi-restraints excluded: chain B residue 3830 GLN Chi-restraints excluded: chain B residue 3835 LEU Chi-restraints excluded: chain B residue 3836 MET Chi-restraints excluded: chain B residue 3838 THR Chi-restraints excluded: chain B residue 3842 LEU Chi-restraints excluded: chain B residue 3886 ARG Chi-restraints excluded: chain B residue 3890 LEU Chi-restraints excluded: chain B residue 3892 CYS Chi-restraints excluded: chain B residue 3893 GLU Chi-restraints excluded: chain B residue 3899 PHE Chi-restraints excluded: chain B residue 3905 THR Chi-restraints excluded: chain B residue 3907 THR Chi-restraints excluded: chain B residue 3910 THR Chi-restraints excluded: chain B residue 3911 THR Chi-restraints excluded: chain B residue 3913 ILE Chi-restraints excluded: chain B residue 3919 THR Chi-restraints excluded: chain B residue 3920 VAL Chi-restraints excluded: chain B residue 3930 ILE Chi-restraints excluded: chain B residue 3938 SER Chi-restraints excluded: chain B residue 3950 ASN Chi-restraints excluded: chain B residue 3952 SER Chi-restraints excluded: chain B residue 3964 SER Chi-restraints excluded: chain B residue 3966 THR Chi-restraints excluded: chain B residue 3973 CYS Chi-restraints excluded: chain B residue 3974 THR Chi-restraints excluded: chain B residue 3979 SER Chi-restraints excluded: chain B residue 3984 ARG Chi-restraints excluded: chain B residue 4001 MET Chi-restraints excluded: chain B residue 4021 LYS Chi-restraints excluded: chain B residue 4035 VAL Chi-restraints excluded: chain B residue 4039 MET Chi-restraints excluded: chain B residue 4040 ILE Chi-restraints excluded: chain B residue 4044 MET Chi-restraints excluded: chain B residue 4052 SER Chi-restraints excluded: chain B residue 4053 SER Chi-restraints excluded: chain B residue 4054 ASN Chi-restraints excluded: chain B residue 4066 LEU Chi-restraints excluded: chain B residue 4071 ILE Chi-restraints excluded: chain B residue 4072 VAL Chi-restraints excluded: chain B residue 4074 SER Chi-restraints excluded: chain B residue 4081 VAL Chi-restraints excluded: chain B residue 4082 THR Chi-restraints excluded: chain B residue 4083 ASP Chi-restraints excluded: chain B residue 4088 ILE Chi-restraints excluded: chain B residue 4092 ASP Chi-restraints excluded: chain B residue 4097 MET Chi-restraints excluded: chain B residue 4098 ASP Chi-restraints excluded: chain B residue 4100 GLN Chi-restraints excluded: chain B residue 4102 GLN Chi-restraints excluded: chain B residue 4104 THR Chi-restraints excluded: chain B residue 4108 ILE Chi-restraints excluded: chain B residue 4113 SER Chi-restraints excluded: chain B residue 4114 CYS Chi-restraints excluded: chain B residue 4116 GLU Chi-restraints excluded: chain B residue 4118 ASP Chi-restraints excluded: chain B residue 4123 ILE Chi-restraints excluded: chain B residue 4127 GLU Chi-restraints excluded: chain B residue 4132 PHE Chi-restraints excluded: chain B residue 4142 ASN Chi-restraints excluded: chain B residue 4151 SER Chi-restraints excluded: chain B residue 4152 GLU Chi-restraints excluded: chain B residue 4161 ARG Chi-restraints excluded: chain B residue 4166 LEU Chi-restraints excluded: chain B residue 4168 GLU Chi-restraints excluded: chain B residue 4170 ILE Chi-restraints excluded: chain B residue 4180 ARG Chi-restraints excluded: chain B residue 4182 GLU Chi-restraints excluded: chain B residue 4183 ILE Chi-restraints excluded: chain B residue 4187 SER Chi-restraints excluded: chain B residue 4190 ILE Chi-restraints excluded: chain B residue 4192 ARG Chi-restraints excluded: chain B residue 4196 GLU Chi-restraints excluded: chain B residue 4197 ILE Chi-restraints excluded: chain B residue 4199 GLU Chi-restraints excluded: chain B residue 4205 TRP Chi-restraints excluded: chain B residue 4213 SER Chi-restraints excluded: chain B residue 4217 PHE Chi-restraints excluded: chain B residue 4218 ILE Chi-restraints excluded: chain B residue 4221 VAL Chi-restraints excluded: chain B residue 4241 THR Chi-restraints excluded: chain B residue 4246 GLN Chi-restraints excluded: chain B residue 4251 ILE Chi-restraints excluded: chain B residue 4549 VAL Chi-restraints excluded: chain B residue 4552 LEU Chi-restraints excluded: chain B residue 4553 ASN Chi-restraints excluded: chain B residue 4561 THR Chi-restraints excluded: chain B residue 4562 LEU Chi-restraints excluded: chain B residue 4563 ARG Chi-restraints excluded: chain B residue 4569 LEU Chi-restraints excluded: chain B residue 4571 PHE Chi-restraints excluded: chain B residue 4573 ILE Chi-restraints excluded: chain B residue 4579 PHE Chi-restraints excluded: chain B residue 4580 TYR Chi-restraints excluded: chain B residue 4628 VAL Chi-restraints excluded: chain B residue 4631 PHE Chi-restraints excluded: chain B residue 4632 LEU Chi-restraints excluded: chain B residue 4634 GLU Chi-restraints excluded: chain B residue 4639 MET Chi-restraints excluded: chain B residue 4643 LEU Chi-restraints excluded: chain B residue 4648 LEU Chi-restraints excluded: chain B residue 4651 THR Chi-restraints excluded: chain B residue 4655 PHE Chi-restraints excluded: chain B residue 4670 ILE Chi-restraints excluded: chain B residue 4676 GLU Chi-restraints excluded: chain B residue 4682 GLU Chi-restraints excluded: chain B residue 4688 ILE Chi-restraints excluded: chain B residue 4695 ASP Chi-restraints excluded: chain B residue 4723 LYS Chi-restraints excluded: chain B residue 4724 VAL Chi-restraints excluded: chain B residue 4728 HIS Chi-restraints excluded: chain B residue 4736 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 4744 ASP Chi-restraints excluded: chain B residue 4751 THR Chi-restraints excluded: chain B residue 4765 LEU Chi-restraints excluded: chain B residue 4768 LEU Chi-restraints excluded: chain B residue 4770 SER Chi-restraints excluded: chain B residue 4773 VAL Chi-restraints excluded: chain B residue 4782 VAL Chi-restraints excluded: chain B residue 4788 SER Chi-restraints excluded: chain B residue 4797 VAL Chi-restraints excluded: chain B residue 4799 SER Chi-restraints excluded: chain B residue 4804 TYR Chi-restraints excluded: chain B residue 4816 ILE Chi-restraints excluded: chain B residue 4818 MET Chi-restraints excluded: chain B residue 4822 THR Chi-restraints excluded: chain B residue 4827 LEU Chi-restraints excluded: chain B residue 4828 SER Chi-restraints excluded: chain B residue 4831 THR Chi-restraints excluded: chain B residue 4840 THR Chi-restraints excluded: chain B residue 4852 THR Chi-restraints excluded: chain B residue 4856 PHE Chi-restraints excluded: chain B residue 4858 PHE Chi-restraints excluded: chain B residue 4861 LYS Chi-restraints excluded: chain B residue 4868 ASP Chi-restraints excluded: chain B residue 4870 ASP Chi-restraints excluded: chain B residue 4873 ASP Chi-restraints excluded: chain B residue 4876 CYS Chi-restraints excluded: chain B residue 4879 MET Chi-restraints excluded: chain B residue 4881 THR Chi-restraints excluded: chain B residue 4887 MET Chi-restraints excluded: chain B residue 4888 TYR Chi-restraints excluded: chain B residue 4891 VAL Chi-restraints excluded: chain B residue 4910 GLU Chi-restraints excluded: chain B residue 4915 VAL Chi-restraints excluded: chain B residue 4916 PHE Chi-restraints excluded: chain B residue 4917 ASP Chi-restraints excluded: chain B residue 4918 ILE Chi-restraints excluded: chain B residue 4919 THR Chi-restraints excluded: chain B residue 4925 ILE Chi-restraints excluded: chain B residue 4928 LEU Chi-restraints excluded: chain B residue 4943 LEU Chi-restraints excluded: chain B residue 4947 GLN Chi-restraints excluded: chain B residue 4950 VAL Chi-restraints excluded: chain B residue 4952 GLU Chi-restraints excluded: chain B residue 4953 ASP Chi-restraints excluded: chain B residue 4956 THR Chi-restraints excluded: chain B residue 4961 CYS Chi-restraints excluded: chain B residue 4963 ILE Chi-restraints excluded: chain B residue 4965 SER Chi-restraints excluded: chain B residue 4970 THR Chi-restraints excluded: chain B residue 4971 THR Chi-restraints excluded: chain B residue 4977 THR Chi-restraints excluded: chain B residue 4979 THR Chi-restraints excluded: chain B residue 4983 HIS Chi-restraints excluded: chain B residue 4985 LEU Chi-restraints excluded: chain B residue 4989 MET Chi-restraints excluded: chain B residue 4997 ASN Chi-restraints excluded: chain B residue 5008 SER Chi-restraints excluded: chain B residue 5009 TYR Chi-restraints excluded: chain B residue 5016 GLU Chi-restraints excluded: chain B residue 5018 CYS Chi-restraints excluded: chain B residue 5020 ASP Chi-restraints excluded: chain B residue 5021 PHE Chi-restraints excluded: chain B residue 5034 ASP Chi-restraints excluded: chain B residue 5036 LEU Chi-restraints excluded: chain B residue 5037 SER Rotamers are restrained with sigma=1.50 ------------------------------------------------------------------------------- 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 218 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 278 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 379 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 460 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A 536 ASN ** A 617 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 624 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 647 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 735 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 736 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 904 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 921 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1220 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2112 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2194 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2883 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2924 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3830 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3946 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3998 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A4043 GLN ** A4162 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4553 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4714 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4947 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C 71 GLN ** C 218 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 278 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 379 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C 520 ASN C 536 ASN ** C 617 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 624 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 647 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 735 GLN ** C 736 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 904 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 921 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2112 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2194 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2441 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2877 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2883 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3830 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3946 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3998 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4162 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4553 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4714 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4803 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 218 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D 520 ASN D 536 ASN ** D 647 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D 735 GLN ** D 736 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 904 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 921 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2112 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2194 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2877 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2883 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3781 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3830 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3946 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3998 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4553 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4714 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4803 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 218 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 379 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 399 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 520 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B 536 ASN ** B 624 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 647 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B 735 GLN B 736 HIS ** B 904 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 921 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1220 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2112 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2194 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2883 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2902 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3830 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3946 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3998 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B4043 GLN ** B4133 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4162 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4553 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4714 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4803 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 13 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8440 moved from start: 0.9110 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.055 0.439 119505 Z= 3.538 Angle : 3.097 37.645 162917 Z= 1.571 Chirality : 0.153 0.966 19033 Planarity : 0.021 0.408 21423 Dihedral : 14.542 90.466 17817 Min Nonbonded Distance : 1.094 Molprobity Statistics. All-atom Clashscore : 89.90 Ramachandran Plot: Outliers : 2.32 % Allowed : 38.11 % Favored : 59.57 % Rotamer: Outliers : 27.26 % Allowed : 26.82 % Favored : 45.92 % Cbeta Deviations : 0.62 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 6.91 % Twisted General : 3.73 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -7.38 (0.05), residues: 12808 helix: -4.66 (0.04), residues: 5672 sheet: -3.81 (0.14), residues: 1032 loop : -5.44 (0.05), residues: 6104 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.096 0.012 TRP D5011 HIS 0.055 0.007 HIS B4983 PHE 0.110 0.011 PHE B1238 TYR 0.116 0.011 TYR A 359 ARG 0.053 0.003 ARG A3773 *********************** REFINEMENT MACRO_CYCLE 9 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 25616 Ramachandran restraints generated. 12808 Oldfield, 0 Emsley, 12808 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 25616 Ramachandran restraints generated. 12808 Oldfield, 0 Emsley, 12808 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3287 residues out of total 11248 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2738 poor density : 549 time to evaluate : 8.952 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 50 GLU cc_start: 0.8644 (OUTLIER) cc_final: 0.8010 (tp30) REVERT: A 115 ARG cc_start: 0.9071 (OUTLIER) cc_final: 0.8494 (mmm-85) REVERT: A 150 MET cc_start: 0.8922 (OUTLIER) cc_final: 0.7463 (mpt) REVERT: A 159 GLU cc_start: 0.8820 (OUTLIER) cc_final: 0.8452 (tm-30) REVERT: A 229 GLU cc_start: 0.7583 (OUTLIER) cc_final: 0.7223 (tt0) REVERT: A 243 ARG cc_start: 0.8592 (OUTLIER) cc_final: 0.7337 (mmm160) REVERT: A 248 GLU cc_start: 0.6728 (OUTLIER) cc_final: 0.6448 (mp0) REVERT: A 276 TRP cc_start: 0.7097 (OUTLIER) cc_final: 0.6505 (m100) REVERT: A 283 ARG cc_start: 0.8050 (OUTLIER) cc_final: 0.7290 (ttm170) REVERT: A 403 MET cc_start: 0.8866 (mtp) cc_final: 0.8628 (mtp) REVERT: A 419 ASP cc_start: 0.8601 (OUTLIER) cc_final: 0.8244 (m-30) REVERT: A 524 GLU cc_start: 0.8977 (OUTLIER) cc_final: 0.8629 (mp0) REVERT: A 553 ARG cc_start: 0.8496 (OUTLIER) cc_final: 0.7781 (tmt-80) REVERT: A 581 ASN cc_start: 0.7963 (OUTLIER) cc_final: 0.7656 (p0) REVERT: A 652 ARG cc_start: 0.7267 (OUTLIER) cc_final: 0.6822 (ttp-170) REVERT: A 659 TYR cc_start: 0.5551 (OUTLIER) cc_final: 0.4789 (m-80) REVERT: A 662 TRP cc_start: 0.7531 (OUTLIER) cc_final: 0.7074 (m-10) REVERT: A 663 TYR cc_start: 0.6719 (OUTLIER) cc_final: 0.6037 (t80) REVERT: A 700 GLU cc_start: 0.7687 (OUTLIER) cc_final: 0.7328 (mp0) REVERT: A 735 GLN cc_start: 0.8696 (OUTLIER) cc_final: 0.8153 (mt0) REVERT: A 831 ARG cc_start: 0.8853 (OUTLIER) cc_final: 0.8629 (ptp-110) REVERT: A 869 ARG cc_start: 0.6564 (OUTLIER) cc_final: 0.5435 (ptt-90) REVERT: A 870 ILE cc_start: 0.5970 (OUTLIER) cc_final: 0.4920 (mm) REVERT: A 893 TYR cc_start: 0.4970 (OUTLIER) cc_final: 0.3946 (p90) REVERT: A 1036 ARG cc_start: 0.6917 (OUTLIER) cc_final: 0.5209 (tmt170) REVERT: A 1044 ARG cc_start: 0.3060 (OUTLIER) cc_final: 0.2228 (tpp80) REVERT: A 1110 ARG cc_start: 0.9045 (OUTLIER) cc_final: 0.8706 (ptp-110) REVERT: A 1133 HIS cc_start: 0.9327 (OUTLIER) cc_final: 0.8782 (t-170) REVERT: A 1141 ARG cc_start: 0.8811 (OUTLIER) cc_final: 0.8094 (ptm160) REVERT: A 1152 MET cc_start: 0.8708 (OUTLIER) cc_final: 0.8459 (mtm) REVERT: A 1198 GLN cc_start: 0.8188 (OUTLIER) cc_final: 0.7655 (mm-40) REVERT: A 1202 LEU cc_start: 0.9392 (OUTLIER) cc_final: 0.8970 (tp) REVERT: A 1230 MET cc_start: 0.9084 (OUTLIER) cc_final: 0.8282 (mtt) REVERT: A 1232 ARG cc_start: 0.9131 (OUTLIER) cc_final: 0.8748 (ptt90) REVERT: A 1242 LEU cc_start: 0.9267 (OUTLIER) cc_final: 0.9003 (mp) REVERT: A 1255 TYR cc_start: 0.8855 (OUTLIER) cc_final: 0.7473 (m-80) REVERT: A 1652 GLU cc_start: 0.9494 (OUTLIER) cc_final: 0.8897 (tm-30) REVERT: A 1653 LEU cc_start: 0.9508 (OUTLIER) cc_final: 0.9069 (mp) REVERT: A 1655 GLU cc_start: 0.8600 (OUTLIER) cc_final: 0.7785 (tm-30) REVERT: A 1656 ARG cc_start: 0.9320 (OUTLIER) cc_final: 0.9105 (mmm160) REVERT: A 1671 ARG cc_start: 0.8764 (OUTLIER) cc_final: 0.8371 (mtm-85) REVERT: A 1714 LEU cc_start: 0.9477 (OUTLIER) cc_final: 0.8979 (mp) REVERT: A 1727 ARG cc_start: 0.8744 (OUTLIER) cc_final: 0.8203 (tpp80) REVERT: A 1733 GLU cc_start: 0.8608 (OUTLIER) cc_final: 0.8096 (mp0) REVERT: A 1771 LEU cc_start: 0.9382 (OUTLIER) cc_final: 0.8822 (mp) REVERT: A 1939 MET cc_start: 0.9096 (mmm) cc_final: 0.8806 (tpp) REVERT: A 1963 GLU cc_start: 0.8434 (OUTLIER) cc_final: 0.8152 (pp20) REVERT: A 1965 TYR cc_start: 0.8098 (OUTLIER) cc_final: 0.7608 (t80) REVERT: A 1973 GLN cc_start: 0.7568 (OUTLIER) cc_final: 0.7174 (tm-30) REVERT: A 2032 GLN cc_start: 0.8856 (OUTLIER) cc_final: 0.8498 (mm110) REVERT: A 2126 ARG cc_start: 0.9442 (OUTLIER) cc_final: 0.9214 (mtp85) REVERT: A 2191 PHE cc_start: 0.9175 (OUTLIER) cc_final: 0.8382 (t80) REVERT: A 2245 GLN cc_start: 0.9521 (OUTLIER) cc_final: 0.8817 (mm-40) REVERT: A 2336 ARG cc_start: 0.8984 (OUTLIER) cc_final: 0.8584 (ttp-110) REVERT: A 2364 PHE cc_start: 0.7679 (OUTLIER) cc_final: 0.6880 (m-80) REVERT: A 2420 HIS cc_start: 0.8303 (OUTLIER) cc_final: 0.8076 (t70) REVERT: A 2458 ARG cc_start: 0.7809 (OUTLIER) cc_final: 0.7479 (tpt90) REVERT: A 2758 PHE cc_start: 0.3126 (OUTLIER) cc_final: 0.2919 (m-80) REVERT: A 2777 TYR cc_start: -0.1198 (OUTLIER) cc_final: -0.1548 (m-80) REVERT: A 2779 GLU cc_start: 0.1982 (OUTLIER) cc_final: 0.0604 (mt-10) REVERT: A 2811 GLU cc_start: 0.3010 (OUTLIER) cc_final: 0.2128 (mm-30) REVERT: A 2939 ARG cc_start: 0.4966 (mtt180) cc_final: 0.4628 (mtt180) REVERT: A 3642 TYR cc_start: 0.7772 (OUTLIER) cc_final: 0.6642 (p90) REVERT: A 3643 ASN cc_start: 0.7455 (OUTLIER) cc_final: 0.7140 (p0) REVERT: A 3647 HIS cc_start: 0.8084 (OUTLIER) cc_final: 0.7463 (p90) REVERT: A 3672 ARG cc_start: 0.8896 (OUTLIER) cc_final: 0.8395 (ttp80) REVERT: A 3710 LEU cc_start: 0.9358 (OUTLIER) cc_final: 0.9120 (tt) REVERT: A 3753 PHE cc_start: 0.8015 (OUTLIER) cc_final: 0.7635 (t80) REVERT: A 3805 LEU cc_start: 0.9627 (OUTLIER) cc_final: 0.9314 (pp) REVERT: A 3835 LEU cc_start: 0.9490 (OUTLIER) cc_final: 0.9156 (tt) REVERT: A 3886 ARG cc_start: 0.9386 (OUTLIER) cc_final: 0.8464 (tpt90) REVERT: A 4054 ASN cc_start: 0.9036 (OUTLIER) cc_final: 0.8467 (m-40) REVERT: A 4066 LEU cc_start: 0.9474 (OUTLIER) cc_final: 0.9194 (mp) REVERT: A 4071 ILE cc_start: 0.9372 (OUTLIER) cc_final: 0.9165 (tt) REVERT: A 4078 GLN cc_start: 0.9446 (OUTLIER) cc_final: 0.8660 (tm-30) REVERT: A 4097 MET cc_start: 0.9012 (OUTLIER) cc_final: 0.8466 (mpp) REVERT: A 4108 ILE cc_start: 0.9194 (OUTLIER) cc_final: 0.8934 (mm) REVERT: A 4132 PHE cc_start: 0.8631 (OUTLIER) cc_final: 0.8171 (m-10) REVERT: A 4142 ASN cc_start: 0.9558 (OUTLIER) cc_final: 0.8975 (t0) REVERT: A 4205 TRP cc_start: 0.9589 (OUTLIER) cc_final: 0.9253 (t-100) REVERT: A 4562 LEU cc_start: 0.9193 (OUTLIER) cc_final: 0.8901 (tt) REVERT: A 4563 ARG cc_start: 0.8940 (OUTLIER) cc_final: 0.8275 (tpt90) REVERT: A 4580 TYR cc_start: 0.9429 (OUTLIER) cc_final: 0.8107 (m-80) REVERT: A 4736 ARG cc_start: 0.9171 (OUTLIER) cc_final: 0.8460 (mtp85) REVERT: A 4770 SER cc_start: 0.7139 (OUTLIER) cc_final: 0.6618 (p) REVERT: A 4803 HIS cc_start: 0.8733 (OUTLIER) cc_final: 0.8471 (m90) REVERT: A 4839 MET cc_start: 0.8813 (mmm) cc_final: 0.8595 (mmm) REVERT: A 4913 ARG cc_start: 0.8869 (OUTLIER) cc_final: 0.7955 (tpt90) REVERT: A 4953 ASP cc_start: 0.8988 (OUTLIER) cc_final: 0.8615 (t0) REVERT: A 4957 LYS cc_start: 0.8963 (OUTLIER) cc_final: 0.8679 (mmtp) REVERT: A 5020 ASP cc_start: 0.9424 (OUTLIER) cc_final: 0.9148 (m-30) REVERT: C 15 ARG cc_start: 0.8522 (OUTLIER) cc_final: 0.8284 (mmp80) REVERT: C 50 GLU cc_start: 0.8634 (OUTLIER) cc_final: 0.7994 (tp30) REVERT: C 115 ARG cc_start: 0.9064 (OUTLIER) cc_final: 0.8466 (mmm-85) REVERT: C 150 MET cc_start: 0.8941 (OUTLIER) cc_final: 0.7477 (mpt) REVERT: C 159 GLU cc_start: 0.8680 (OUTLIER) cc_final: 0.8389 (tp30) REVERT: C 210 GLU cc_start: 0.8081 (OUTLIER) cc_final: 0.7865 (pm20) REVERT: C 229 GLU cc_start: 0.7650 (OUTLIER) cc_final: 0.7326 (tt0) REVERT: C 243 ARG cc_start: 0.8586 (OUTLIER) cc_final: 0.7325 (mmm160) REVERT: C 248 GLU cc_start: 0.7009 (OUTLIER) cc_final: 0.6781 (mp0) REVERT: C 260 TRP cc_start: 0.8856 (OUTLIER) cc_final: 0.7447 (m100) REVERT: C 261 ARG cc_start: 0.7602 (OUTLIER) cc_final: 0.7353 (ttt180) REVERT: C 276 TRP cc_start: 0.7103 (OUTLIER) cc_final: 0.6441 (m100) REVERT: C 320 LYS cc_start: 0.4546 (OUTLIER) cc_final: 0.4310 (mmmt) REVERT: C 419 ASP cc_start: 0.8614 (OUTLIER) cc_final: 0.8212 (m-30) REVERT: C 520 ASN cc_start: 0.9331 (OUTLIER) cc_final: 0.8912 (m110) REVERT: C 524 GLU cc_start: 0.8922 (OUTLIER) cc_final: 0.8529 (mp0) REVERT: C 581 ASN cc_start: 0.7906 (OUTLIER) cc_final: 0.7655 (p0) REVERT: C 629 ARG cc_start: 0.8929 (OUTLIER) cc_final: 0.8602 (mtp85) REVERT: C 652 ARG cc_start: 0.7265 (OUTLIER) cc_final: 0.6818 (ttp-170) REVERT: C 659 TYR cc_start: 0.5537 (OUTLIER) cc_final: 0.4743 (m-80) REVERT: C 662 TRP cc_start: 0.7565 (OUTLIER) cc_final: 0.7109 (m-10) REVERT: C 663 TYR cc_start: 0.6644 (OUTLIER) cc_final: 0.5976 (t80) REVERT: C 683 ARG cc_start: 0.8291 (OUTLIER) cc_final: 0.5407 (mmt90) REVERT: C 700 GLU cc_start: 0.7702 (OUTLIER) cc_final: 0.7349 (mp0) REVERT: C 869 ARG cc_start: 0.6558 (OUTLIER) cc_final: 0.5376 (ptt180) REVERT: C 870 ILE cc_start: 0.5951 (OUTLIER) cc_final: 0.4820 (mm) REVERT: C 893 TYR cc_start: 0.4843 (OUTLIER) cc_final: 0.3946 (p90) REVERT: C 960 MET cc_start: 0.3602 (tpt) cc_final: 0.3400 (tpt) REVERT: C 1036 ARG cc_start: 0.6907 (OUTLIER) cc_final: 0.5192 (tmt170) REVERT: C 1044 ARG cc_start: 0.3046 (OUTLIER) cc_final: 0.2203 (tpp80) REVERT: C 1110 ARG cc_start: 0.9091 (OUTLIER) cc_final: 0.8742 (ptp-110) REVERT: C 1133 HIS cc_start: 0.9339 (OUTLIER) cc_final: 0.8713 (t-170) REVERT: C 1141 ARG cc_start: 0.8807 (OUTLIER) cc_final: 0.8094 (ptm160) REVERT: C 1152 MET cc_start: 0.8716 (OUTLIER) cc_final: 0.8470 (mtm) REVERT: C 1198 GLN cc_start: 0.8198 (OUTLIER) cc_final: 0.7630 (mm-40) REVERT: C 1202 LEU cc_start: 0.9344 (OUTLIER) cc_final: 0.8882 (tp) REVERT: C 1204 LEU cc_start: 0.9185 (OUTLIER) cc_final: 0.8930 (mm) REVERT: C 1230 MET cc_start: 0.9099 (OUTLIER) cc_final: 0.8304 (mtt) REVERT: C 1232 ARG cc_start: 0.9128 (OUTLIER) cc_final: 0.8744 (ptt90) REVERT: C 1242 LEU cc_start: 0.9272 (OUTLIER) cc_final: 0.9002 (mp) REVERT: C 1255 TYR cc_start: 0.8857 (OUTLIER) cc_final: 0.7470 (m-80) REVERT: C 1630 CYS cc_start: 0.8411 (OUTLIER) cc_final: 0.8006 (p) REVERT: C 1652 GLU cc_start: 0.9495 (OUTLIER) cc_final: 0.8896 (tm-30) REVERT: C 1653 LEU cc_start: 0.9508 (OUTLIER) cc_final: 0.9065 (mp) REVERT: C 1655 GLU cc_start: 0.8611 (OUTLIER) cc_final: 0.7797 (tm-30) REVERT: C 1656 ARG cc_start: 0.9321 (OUTLIER) cc_final: 0.9107 (mmm160) REVERT: C 1671 ARG cc_start: 0.8749 (OUTLIER) cc_final: 0.8377 (mtm-85) REVERT: C 1714 LEU cc_start: 0.9441 (OUTLIER) cc_final: 0.8978 (mp) REVERT: C 1727 ARG cc_start: 0.8705 (OUTLIER) cc_final: 0.8199 (tpp80) REVERT: C 1733 GLU cc_start: 0.8484 (OUTLIER) cc_final: 0.7895 (mp0) REVERT: C 1771 LEU cc_start: 0.9357 (OUTLIER) cc_final: 0.8819 (mp) REVERT: C 1813 ARG cc_start: 0.9242 (OUTLIER) cc_final: 0.8303 (ttp80) REVERT: C 1939 MET cc_start: 0.9105 (mmm) cc_final: 0.8830 (tpp) REVERT: C 1963 GLU cc_start: 0.8431 (OUTLIER) cc_final: 0.8156 (pp20) REVERT: C 1965 TYR cc_start: 0.8099 (OUTLIER) cc_final: 0.7607 (t80) REVERT: C 1973 GLN cc_start: 0.7545 (OUTLIER) cc_final: 0.7150 (tm-30) REVERT: C 2032 GLN cc_start: 0.8865 (OUTLIER) cc_final: 0.8498 (mm110) REVERT: C 2126 ARG cc_start: 0.9494 (OUTLIER) cc_final: 0.9230 (mtp85) REVERT: C 2191 PHE cc_start: 0.9143 (OUTLIER) cc_final: 0.8341 (t80) REVERT: C 2245 GLN cc_start: 0.9519 (OUTLIER) cc_final: 0.8822 (mm-40) REVERT: C 2336 ARG cc_start: 0.8975 (OUTLIER) cc_final: 0.8565 (ttp-110) REVERT: C 2364 PHE cc_start: 0.7695 (OUTLIER) cc_final: 0.6967 (m-80) REVERT: C 2420 HIS cc_start: 0.8308 (OUTLIER) cc_final: 0.8094 (t70) REVERT: C 2458 ARG cc_start: 0.7802 (OUTLIER) cc_final: 0.7485 (tpt90) REVERT: C 2758 PHE cc_start: 0.3123 (OUTLIER) cc_final: 0.2895 (m-80) REVERT: C 2777 TYR cc_start: -0.1189 (OUTLIER) cc_final: -0.1561 (m-80) REVERT: C 2779 GLU cc_start: 0.1951 (OUTLIER) cc_final: 0.0614 (mt-10) REVERT: C 2809 ILE cc_start: -0.1120 (OUTLIER) cc_final: -0.1329 (mt) REVERT: C 2811 GLU cc_start: 0.3229 (OUTLIER) cc_final: 0.2622 (mm-30) REVERT: C 2939 ARG cc_start: 0.5027 (mtt180) cc_final: 0.4646 (mtt180) REVERT: C 3642 TYR cc_start: 0.7768 (OUTLIER) cc_final: 0.6628 (p90) REVERT: C 3643 ASN cc_start: 0.7456 (OUTLIER) cc_final: 0.7137 (p0) REVERT: C 3647 HIS cc_start: 0.8073 (OUTLIER) cc_final: 0.7504 (p90) REVERT: C 3669 PHE cc_start: 0.8880 (OUTLIER) cc_final: 0.8211 (p90) REVERT: C 3753 PHE cc_start: 0.7979 (OUTLIER) cc_final: 0.7615 (t80) REVERT: C 3805 LEU cc_start: 0.9593 (OUTLIER) cc_final: 0.9259 (pp) REVERT: C 3835 LEU cc_start: 0.9509 (OUTLIER) cc_final: 0.9173 (tt) REVERT: C 3886 ARG cc_start: 0.9264 (OUTLIER) cc_final: 0.8284 (tpt90) REVERT: C 4054 ASN cc_start: 0.9037 (OUTLIER) cc_final: 0.8449 (m-40) REVERT: C 4066 LEU cc_start: 0.9454 (OUTLIER) cc_final: 0.9169 (mp) REVERT: C 4071 ILE cc_start: 0.9355 (OUTLIER) cc_final: 0.9140 (tt) REVERT: C 4078 GLN cc_start: 0.9444 (OUTLIER) cc_final: 0.8661 (tm-30) REVERT: C 4097 MET cc_start: 0.8974 (OUTLIER) cc_final: 0.8486 (mpp) REVERT: C 4102 GLN cc_start: 0.8862 (OUTLIER) cc_final: 0.8454 (pt0) REVERT: C 4108 ILE cc_start: 0.9232 (OUTLIER) cc_final: 0.8987 (mm) REVERT: C 4132 PHE cc_start: 0.8656 (OUTLIER) cc_final: 0.8205 (m-10) REVERT: C 4142 ASN cc_start: 0.9560 (OUTLIER) cc_final: 0.8974 (t0) REVERT: C 4205 TRP cc_start: 0.9593 (OUTLIER) cc_final: 0.9261 (t-100) REVERT: C 4562 LEU cc_start: 0.9187 (OUTLIER) cc_final: 0.8925 (tt) REVERT: C 4580 TYR cc_start: 0.9464 (OUTLIER) cc_final: 0.8055 (m-80) REVERT: C 4736 ARG cc_start: 0.9184 (OUTLIER) cc_final: 0.8472 (mtp85) REVERT: C 4770 SER cc_start: 0.7126 (OUTLIER) cc_final: 0.6607 (p) REVERT: C 4839 MET cc_start: 0.8796 (mmm) cc_final: 0.8571 (mmm) REVERT: C 4884 LEU cc_start: 0.8963 (OUTLIER) cc_final: 0.8743 (tt) REVERT: C 4892 ARG cc_start: 0.9211 (OUTLIER) cc_final: 0.7231 (ttp80) REVERT: C 4913 ARG cc_start: 0.8949 (OUTLIER) cc_final: 0.8030 (tpt90) REVERT: C 4953 ASP cc_start: 0.8997 (OUTLIER) cc_final: 0.8644 (t0) REVERT: C 5020 ASP cc_start: 0.9407 (OUTLIER) cc_final: 0.9135 (m-30) REVERT: D 50 GLU cc_start: 0.8640 (OUTLIER) cc_final: 0.8008 (tp30) REVERT: D 69 LEU cc_start: 0.9022 (OUTLIER) cc_final: 0.8741 (pt) REVERT: D 150 MET cc_start: 0.8921 (OUTLIER) cc_final: 0.7478 (mpt) REVERT: D 159 GLU cc_start: 0.8822 (OUTLIER) cc_final: 0.8472 (tm-30) REVERT: D 177 GLU cc_start: 0.9322 (OUTLIER) cc_final: 0.8855 (mp0) REVERT: D 210 GLU cc_start: 0.8106 (OUTLIER) cc_final: 0.7733 (pm20) REVERT: D 229 GLU cc_start: 0.7543 (OUTLIER) cc_final: 0.7197 (tt0) REVERT: D 243 ARG cc_start: 0.8565 (OUTLIER) cc_final: 0.7247 (mmm160) REVERT: D 248 GLU cc_start: 0.7029 (OUTLIER) cc_final: 0.6777 (mp0) REVERT: D 261 ARG cc_start: 0.7585 (OUTLIER) cc_final: 0.7330 (ttt180) REVERT: D 276 TRP cc_start: 0.7328 (OUTLIER) cc_final: 0.6858 (m100) REVERT: D 419 ASP cc_start: 0.8629 (OUTLIER) cc_final: 0.8249 (m-30) REVERT: D 520 ASN cc_start: 0.9341 (OUTLIER) cc_final: 0.9026 (m110) REVERT: D 553 ARG cc_start: 0.8502 (OUTLIER) cc_final: 0.7749 (tmt-80) REVERT: D 581 ASN cc_start: 0.8001 (OUTLIER) cc_final: 0.7738 (p0) REVERT: D 629 ARG cc_start: 0.8868 (OUTLIER) cc_final: 0.8558 (mtp85) REVERT: D 659 TYR cc_start: 0.5848 (OUTLIER) cc_final: 0.4945 (m-80) REVERT: D 662 TRP cc_start: 0.7179 (OUTLIER) cc_final: 0.6958 (m100) REVERT: D 663 TYR cc_start: 0.6598 (OUTLIER) cc_final: 0.6019 (t80) REVERT: D 683 ARG cc_start: 0.8271 (OUTLIER) cc_final: 0.5404 (mmt90) REVERT: D 700 GLU cc_start: 0.7809 (OUTLIER) cc_final: 0.7427 (mp0) REVERT: D 818 ARG cc_start: 0.7139 (OUTLIER) cc_final: 0.6890 (ttt180) REVERT: D 869 ARG cc_start: 0.6574 (OUTLIER) cc_final: 0.5454 (ptt-90) REVERT: D 870 ILE cc_start: 0.5922 (OUTLIER) cc_final: 0.4899 (mm) REVERT: D 893 TYR cc_start: 0.5102 (OUTLIER) cc_final: 0.4288 (p90) REVERT: D 1036 ARG cc_start: 0.6831 (OUTLIER) cc_final: 0.5254 (tmt170) REVERT: D 1044 ARG cc_start: 0.3050 (OUTLIER) cc_final: 0.2211 (tpp80) REVERT: D 1110 ARG cc_start: 0.9143 (OUTLIER) cc_final: 0.8825 (ptp-110) REVERT: D 1133 HIS cc_start: 0.9329 (OUTLIER) cc_final: 0.8727 (t-170) REVERT: D 1141 ARG cc_start: 0.8802 (OUTLIER) cc_final: 0.8092 (ptm160) REVERT: D 1152 MET cc_start: 0.8723 (OUTLIER) cc_final: 0.8485 (mtm) REVERT: D 1198 GLN cc_start: 0.8162 (OUTLIER) cc_final: 0.7616 (mm-40) REVERT: D 1202 LEU cc_start: 0.9335 (OUTLIER) cc_final: 0.8868 (tp) REVERT: D 1204 LEU cc_start: 0.9185 (OUTLIER) cc_final: 0.8936 (mm) REVERT: D 1232 ARG cc_start: 0.9121 (OUTLIER) cc_final: 0.8736 (ptt90) REVERT: D 1242 LEU cc_start: 0.9314 (OUTLIER) cc_final: 0.9041 (mp) REVERT: D 1255 TYR cc_start: 0.8866 (OUTLIER) cc_final: 0.7481 (m-80) REVERT: D 1630 CYS cc_start: 0.8399 (OUTLIER) cc_final: 0.8032 (p) REVERT: D 1652 GLU cc_start: 0.9498 (OUTLIER) cc_final: 0.9092 (tm-30) REVERT: D 1655 GLU cc_start: 0.8900 (OUTLIER) cc_final: 0.7918 (tm-30) REVERT: D 1657 LEU cc_start: 0.9749 (OUTLIER) cc_final: 0.9420 (mm) REVERT: D 1671 ARG cc_start: 0.8753 (OUTLIER) cc_final: 0.8371 (mtm-85) REVERT: D 1714 LEU cc_start: 0.9438 (OUTLIER) cc_final: 0.8975 (mp) REVERT: D 1727 ARG cc_start: 0.8698 (OUTLIER) cc_final: 0.8196 (tpp80) REVERT: D 1733 GLU cc_start: 0.8563 (OUTLIER) cc_final: 0.8016 (mp0) REVERT: D 1771 LEU cc_start: 0.9377 (OUTLIER) cc_final: 0.8803 (mp) REVERT: D 1813 ARG cc_start: 0.9221 (OUTLIER) cc_final: 0.8332 (ttp80) REVERT: D 1939 MET cc_start: 0.9089 (mmm) cc_final: 0.8808 (tpp) REVERT: D 1963 GLU cc_start: 0.8426 (OUTLIER) cc_final: 0.8128 (pp20) REVERT: D 1965 TYR cc_start: 0.8055 (OUTLIER) cc_final: 0.7549 (t80) REVERT: D 1973 GLN cc_start: 0.7558 (OUTLIER) cc_final: 0.7162 (tm-30) REVERT: D 2032 GLN cc_start: 0.8853 (OUTLIER) cc_final: 0.8471 (mm110) REVERT: D 2126 ARG cc_start: 0.9483 (OUTLIER) cc_final: 0.9220 (mtp85) REVERT: D 2165 LEU cc_start: 0.9494 (OUTLIER) cc_final: 0.9280 (tp) REVERT: D 2191 PHE cc_start: 0.9156 (OUTLIER) cc_final: 0.8370 (t80) REVERT: D 2245 GLN cc_start: 0.9526 (OUTLIER) cc_final: 0.8823 (mm-40) REVERT: D 2336 ARG cc_start: 0.8978 (OUTLIER) cc_final: 0.8560 (ttp-110) REVERT: D 2364 PHE cc_start: 0.7665 (OUTLIER) cc_final: 0.6949 (m-80) REVERT: D 2420 HIS cc_start: 0.8292 (OUTLIER) cc_final: 0.8079 (t70) REVERT: D 2458 ARG cc_start: 0.7809 (OUTLIER) cc_final: 0.7489 (tpt90) REVERT: D 2758 PHE cc_start: 0.3110 (OUTLIER) cc_final: 0.2888 (m-80) REVERT: D 2777 TYR cc_start: -0.1160 (OUTLIER) cc_final: -0.1531 (m-80) REVERT: D 2779 GLU cc_start: 0.1926 (OUTLIER) cc_final: 0.0563 (mt-10) REVERT: D 3642 TYR cc_start: 0.7771 (OUTLIER) cc_final: 0.6634 (p90) REVERT: D 3643 ASN cc_start: 0.7452 (OUTLIER) cc_final: 0.7129 (p0) REVERT: D 3647 HIS cc_start: 0.8082 (OUTLIER) cc_final: 0.7474 (p90) REVERT: D 3663 LEU cc_start: 0.9268 (OUTLIER) cc_final: 0.9040 (mm) REVERT: D 3669 PHE cc_start: 0.8809 (OUTLIER) cc_final: 0.8353 (p90) REVERT: D 3712 GLU cc_start: 0.8945 (OUTLIER) cc_final: 0.8632 (pm20) REVERT: D 3753 PHE cc_start: 0.7975 (OUTLIER) cc_final: 0.7591 (t80) REVERT: D 3805 LEU cc_start: 0.9467 (OUTLIER) cc_final: 0.9173 (pp) REVERT: D 3835 LEU cc_start: 0.9481 (OUTLIER) cc_final: 0.9150 (tt) REVERT: D 3886 ARG cc_start: 0.9259 (OUTLIER) cc_final: 0.8273 (tpt90) REVERT: D 3893 GLU cc_start: 0.9224 (OUTLIER) cc_final: 0.8936 (tp30) REVERT: D 4054 ASN cc_start: 0.9057 (OUTLIER) cc_final: 0.8451 (m-40) REVERT: D 4066 LEU cc_start: 0.9460 (OUTLIER) cc_final: 0.9188 (mp) REVERT: D 4071 ILE cc_start: 0.9364 (OUTLIER) cc_final: 0.9149 (tt) REVERT: D 4097 MET cc_start: 0.8925 (OUTLIER) cc_final: 0.8501 (mpp) REVERT: D 4102 GLN cc_start: 0.8862 (OUTLIER) cc_final: 0.8446 (pt0) REVERT: D 4108 ILE cc_start: 0.9272 (OUTLIER) cc_final: 0.9029 (mm) REVERT: D 4132 PHE cc_start: 0.8647 (OUTLIER) cc_final: 0.8185 (m-10) REVERT: D 4142 ASN cc_start: 0.9566 (OUTLIER) cc_final: 0.8982 (t0) REVERT: D 4205 TRP cc_start: 0.9589 (OUTLIER) cc_final: 0.9259 (t-100) REVERT: D 4562 LEU cc_start: 0.9195 (OUTLIER) cc_final: 0.8904 (tt) REVERT: D 4563 ARG cc_start: 0.8983 (OUTLIER) cc_final: 0.8288 (tpt90) REVERT: D 4580 TYR cc_start: 0.9463 (OUTLIER) cc_final: 0.8207 (m-80) REVERT: D 4698 LYS cc_start: 0.7920 (OUTLIER) cc_final: 0.7712 (mmtt) REVERT: D 4736 ARG cc_start: 0.9168 (OUTLIER) cc_final: 0.8464 (mtp85) REVERT: D 4770 SER cc_start: 0.7078 (OUTLIER) cc_final: 0.6689 (p) REVERT: D 4796 MET cc_start: 0.9002 (OUTLIER) cc_final: 0.8498 (tmm) REVERT: D 4839 MET cc_start: 0.8821 (mmm) cc_final: 0.8601 (mmm) REVERT: D 4884 LEU cc_start: 0.9150 (OUTLIER) cc_final: 0.8933 (tp) REVERT: D 4953 ASP cc_start: 0.8977 (OUTLIER) cc_final: 0.8606 (t0) REVERT: D 4957 LYS cc_start: 0.9031 (OUTLIER) cc_final: 0.8619 (mmtp) REVERT: D 5020 ASP cc_start: 0.9465 (OUTLIER) cc_final: 0.9196 (m-30) REVERT: B 15 ARG cc_start: 0.8520 (OUTLIER) cc_final: 0.8116 (mmp80) REVERT: B 50 GLU cc_start: 0.8644 (OUTLIER) cc_final: 0.8007 (tp30) REVERT: B 150 MET cc_start: 0.8946 (OUTLIER) cc_final: 0.7510 (mpt) REVERT: B 159 GLU cc_start: 0.8850 (OUTLIER) cc_final: 0.8486 (tm-30) REVERT: B 210 GLU cc_start: 0.8072 (OUTLIER) cc_final: 0.7671 (pm20) REVERT: B 229 GLU cc_start: 0.7586 (OUTLIER) cc_final: 0.7194 (tt0) REVERT: B 243 ARG cc_start: 0.8559 (OUTLIER) cc_final: 0.7319 (mmm160) REVERT: B 248 GLU cc_start: 0.6921 (OUTLIER) cc_final: 0.6685 (mp0) REVERT: B 276 TRP cc_start: 0.7373 (OUTLIER) cc_final: 0.7027 (m100) REVERT: B 283 ARG cc_start: 0.8049 (OUTLIER) cc_final: 0.7275 (ttm170) REVERT: B 320 LYS cc_start: 0.4644 (OUTLIER) cc_final: 0.4411 (mmmt) REVERT: B 403 MET cc_start: 0.8868 (mtp) cc_final: 0.8635 (mtp) REVERT: B 419 ASP cc_start: 0.8586 (OUTLIER) cc_final: 0.8224 (m-30) REVERT: B 581 ASN cc_start: 0.7985 (OUTLIER) cc_final: 0.7714 (p0) REVERT: B 629 ARG cc_start: 0.8890 (OUTLIER) cc_final: 0.8671 (mtp85) REVERT: B 659 TYR cc_start: 0.5845 (OUTLIER) cc_final: 0.4938 (m-80) REVERT: B 662 TRP cc_start: 0.7174 (OUTLIER) cc_final: 0.6952 (m100) REVERT: B 663 TYR cc_start: 0.6598 (OUTLIER) cc_final: 0.6099 (t80) REVERT: B 683 ARG cc_start: 0.8269 (OUTLIER) cc_final: 0.5406 (mmt90) REVERT: B 700 GLU cc_start: 0.7802 (OUTLIER) cc_final: 0.7422 (mp0) REVERT: B 869 ARG cc_start: 0.6550 (OUTLIER) cc_final: 0.5362 (ptt180) REVERT: B 870 ILE cc_start: 0.5976 (OUTLIER) cc_final: 0.4814 (mm) REVERT: B 893 TYR cc_start: 0.4944 (OUTLIER) cc_final: 0.4129 (p90) REVERT: B 944 GLU cc_start: 0.2263 (OUTLIER) cc_final: 0.1886 (tt0) REVERT: B 1036 ARG cc_start: 0.6826 (OUTLIER) cc_final: 0.5249 (tmt170) REVERT: B 1044 ARG cc_start: 0.3054 (OUTLIER) cc_final: 0.2210 (tpp80) REVERT: B 1110 ARG cc_start: 0.9130 (OUTLIER) cc_final: 0.8833 (ptp-110) REVERT: B 1133 HIS cc_start: 0.9319 (OUTLIER) cc_final: 0.8700 (t-170) REVERT: B 1141 ARG cc_start: 0.8813 (OUTLIER) cc_final: 0.8094 (ptm160) REVERT: B 1152 MET cc_start: 0.8709 (OUTLIER) cc_final: 0.8482 (mtm) REVERT: B 1202 LEU cc_start: 0.9313 (OUTLIER) cc_final: 0.8880 (tp) REVERT: B 1232 ARG cc_start: 0.9120 (OUTLIER) cc_final: 0.8731 (ptt90) REVERT: B 1242 LEU cc_start: 0.9348 (OUTLIER) cc_final: 0.9100 (mp) REVERT: B 1255 TYR cc_start: 0.8856 (OUTLIER) cc_final: 0.7518 (m-80) REVERT: B 1630 CYS cc_start: 0.8489 (OUTLIER) cc_final: 0.8082 (p) REVERT: B 1652 GLU cc_start: 0.9493 (OUTLIER) cc_final: 0.9087 (tm-30) REVERT: B 1655 GLU cc_start: 0.8895 (OUTLIER) cc_final: 0.7973 (tm-30) REVERT: B 1671 ARG cc_start: 0.8747 (OUTLIER) cc_final: 0.8357 (mtm-85) REVERT: B 1714 LEU cc_start: 0.9422 (OUTLIER) cc_final: 0.8960 (mp) REVERT: B 1727 ARG cc_start: 0.8734 (OUTLIER) cc_final: 0.8234 (tpp80) REVERT: B 1733 GLU cc_start: 0.8510 (OUTLIER) cc_final: 0.7973 (mp0) REVERT: B 1771 LEU cc_start: 0.9243 (OUTLIER) cc_final: 0.8851 (mp) REVERT: B 1813 ARG cc_start: 0.9235 (OUTLIER) cc_final: 0.8224 (ttp80) REVERT: B 1939 MET cc_start: 0.9115 (mmm) cc_final: 0.8848 (tpp) REVERT: B 1963 GLU cc_start: 0.8422 (OUTLIER) cc_final: 0.8092 (pp20) REVERT: B 1965 TYR cc_start: 0.8080 (OUTLIER) cc_final: 0.7592 (t80) REVERT: B 1973 GLN cc_start: 0.7554 (OUTLIER) cc_final: 0.7157 (tm-30) REVERT: B 2032 GLN cc_start: 0.8809 (OUTLIER) cc_final: 0.8423 (mm110) REVERT: B 2126 ARG cc_start: 0.9488 (OUTLIER) cc_final: 0.9213 (mtp85) REVERT: B 2165 LEU cc_start: 0.9479 (OUTLIER) cc_final: 0.9254 (tp) REVERT: B 2191 PHE cc_start: 0.9151 (OUTLIER) cc_final: 0.8364 (t80) REVERT: B 2245 GLN cc_start: 0.9516 (OUTLIER) cc_final: 0.8814 (mm-40) REVERT: B 2292 GLU cc_start: 0.7295 (OUTLIER) cc_final: 0.6809 (pp20) REVERT: B 2336 ARG cc_start: 0.8983 (OUTLIER) cc_final: 0.8577 (ttp-110) REVERT: B 2364 PHE cc_start: 0.7701 (OUTLIER) cc_final: 0.6960 (m-80) REVERT: B 2420 HIS cc_start: 0.8295 (OUTLIER) cc_final: 0.8079 (t70) REVERT: B 2458 ARG cc_start: 0.7803 (OUTLIER) cc_final: 0.7480 (tpt90) REVERT: B 2758 PHE cc_start: 0.3159 (OUTLIER) cc_final: 0.2917 (m-80) REVERT: B 2777 TYR cc_start: -0.1161 (OUTLIER) cc_final: -0.1529 (m-80) REVERT: B 2779 GLU cc_start: 0.1958 (OUTLIER) cc_final: 0.0607 (mt-10) REVERT: B 2811 GLU cc_start: 0.3256 (OUTLIER) cc_final: 0.2568 (mm-30) REVERT: B 2889 LYS cc_start: 0.7772 (OUTLIER) cc_final: 0.7413 (tppt) REVERT: B 2939 ARG cc_start: 0.5590 (mtt180) cc_final: 0.5323 (mtt180) REVERT: B 3642 TYR cc_start: 0.7736 (OUTLIER) cc_final: 0.6620 (p90) REVERT: B 3643 ASN cc_start: 0.7465 (OUTLIER) cc_final: 0.7134 (p0) REVERT: B 3647 HIS cc_start: 0.8076 (OUTLIER) cc_final: 0.7472 (p90) REVERT: B 3663 LEU cc_start: 0.9271 (OUTLIER) cc_final: 0.9047 (mm) REVERT: B 3673 MET cc_start: 0.8827 (OUTLIER) cc_final: 0.8340 (ttt) REVERT: B 3712 GLU cc_start: 0.8942 (OUTLIER) cc_final: 0.8632 (pm20) REVERT: B 3753 PHE cc_start: 0.7971 (OUTLIER) cc_final: 0.7598 (t80) REVERT: B 3805 LEU cc_start: 0.9482 (OUTLIER) cc_final: 0.9179 (pp) REVERT: B 3835 LEU cc_start: 0.9488 (OUTLIER) cc_final: 0.9160 (tt) REVERT: B 3886 ARG cc_start: 0.9272 (OUTLIER) cc_final: 0.8296 (tpt90) REVERT: B 3893 GLU cc_start: 0.9224 (OUTLIER) cc_final: 0.8904 (tp30) REVERT: B 4054 ASN cc_start: 0.9056 (OUTLIER) cc_final: 0.8450 (m-40) REVERT: B 4066 LEU cc_start: 0.9464 (OUTLIER) cc_final: 0.9171 (mp) REVERT: B 4097 MET cc_start: 0.8981 (OUTLIER) cc_final: 0.8526 (mpp) REVERT: B 4102 GLN cc_start: 0.8866 (OUTLIER) cc_final: 0.8458 (pt0) REVERT: B 4108 ILE cc_start: 0.9229 (OUTLIER) cc_final: 0.8970 (mm) REVERT: B 4110 PHE cc_start: 0.9081 (OUTLIER) cc_final: 0.8709 (t80) REVERT: B 4132 PHE cc_start: 0.8641 (OUTLIER) cc_final: 0.8187 (m-10) REVERT: B 4142 ASN cc_start: 0.9557 (OUTLIER) cc_final: 0.8969 (t0) REVERT: B 4205 TRP cc_start: 0.9590 (OUTLIER) cc_final: 0.9248 (t-100) REVERT: B 4562 LEU cc_start: 0.9191 (OUTLIER) cc_final: 0.8896 (tt) REVERT: B 4563 ARG cc_start: 0.8967 (OUTLIER) cc_final: 0.8263 (tpt90) REVERT: B 4580 TYR cc_start: 0.9470 (OUTLIER) cc_final: 0.8177 (m-80) REVERT: B 4736 ARG cc_start: 0.9172 (OUTLIER) cc_final: 0.8465 (mtp85) REVERT: B 4770 SER cc_start: 0.7078 (OUTLIER) cc_final: 0.6691 (p) REVERT: B 4839 MET cc_start: 0.8796 (mmm) cc_final: 0.8577 (mmm) REVERT: B 4884 LEU cc_start: 0.9098 (OUTLIER) cc_final: 0.8889 (tp) REVERT: B 4953 ASP cc_start: 0.8960 (OUTLIER) cc_final: 0.8602 (t0) REVERT: B 5020 ASP cc_start: 0.9443 (OUTLIER) cc_final: 0.9149 (m-30) outliers start: 2738 outliers final: 2166 residues processed: 3139 average time/residue: 0.9200 time to fit residues: 5143.0590 Evaluate side-chains 3073 residues out of total 11248 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2528 poor density : 545 time to evaluate : 8.665 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 13 PHE Chi-restraints excluded: chain A residue 17 ASP Chi-restraints excluded: chain A residue 20 VAL Chi-restraints excluded: chain A residue 21 VAL Chi-restraints excluded: chain A residue 24 CYS Chi-restraints excluded: chain A residue 28 VAL Chi-restraints excluded: chain A residue 37 LEU Chi-restraints excluded: chain A residue 49 LEU Chi-restraints excluded: chain A residue 50 GLU Chi-restraints excluded: chain A residue 57 ASN Chi-restraints excluded: chain A residue 58 VAL Chi-restraints excluded: chain A residue 64 ILE Chi-restraints excluded: chain A residue 68 THR Chi-restraints excluded: chain A residue 74 SER Chi-restraints excluded: chain A residue 75 VAL Chi-restraints excluded: chain A residue 80 GLU Chi-restraints excluded: chain A residue 81 MET Chi-restraints excluded: chain A residue 82 LEU Chi-restraints excluded: chain A residue 107 ILE Chi-restraints excluded: chain A residue 109 LEU Chi-restraints excluded: chain A residue 111 HIS Chi-restraints excluded: chain A residue 114 SER Chi-restraints excluded: chain A residue 115 ARG Chi-restraints excluded: chain A residue 119 SER Chi-restraints excluded: chain A residue 124 SER Chi-restraints excluded: chain A residue 131 LEU Chi-restraints excluded: chain A residue 138 GLN Chi-restraints excluded: chain A residue 144 GLU Chi-restraints excluded: chain A residue 149 THR Chi-restraints excluded: chain A residue 150 MET Chi-restraints excluded: chain A residue 151 HIS Chi-restraints excluded: chain A residue 154 SER Chi-restraints excluded: chain A residue 159 GLU Chi-restraints excluded: chain A residue 161 GLU Chi-restraints excluded: chain A residue 162 LYS Chi-restraints excluded: chain A residue 163 VAL Chi-restraints excluded: chain A residue 164 ARG Chi-restraints excluded: chain A residue 165 VAL Chi-restraints excluded: chain A residue 167 ASP Chi-restraints excluded: chain A residue 170 ILE Chi-restraints excluded: chain A residue 173 SER Chi-restraints excluded: chain A residue 174 VAL Chi-restraints excluded: chain A residue 189 LEU Chi-restraints excluded: chain A residue 192 ASP Chi-restraints excluded: chain A residue 194 SER Chi-restraints excluded: chain A residue 206 CYS Chi-restraints excluded: chain A residue 211 GLU Chi-restraints excluded: chain A residue 215 THR Chi-restraints excluded: chain A residue 219 VAL Chi-restraints excluded: chain A residue 222 LEU Chi-restraints excluded: chain A residue 226 HIS Chi-restraints excluded: chain A residue 229 GLU Chi-restraints excluded: chain A residue 232 THR Chi-restraints excluded: chain A residue 240 ASP Chi-restraints excluded: chain A residue 243 ARG Chi-restraints excluded: chain A residue 248 GLU Chi-restraints excluded: chain A residue 258 SER Chi-restraints excluded: chain A residue 260 TRP Chi-restraints excluded: chain A residue 262 LEU Chi-restraints excluded: chain A residue 267 ILE 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 278 GLN Chi-restraints excluded: chain A residue 281 ARG Chi-restraints excluded: chain A residue 283 ARG Chi-restraints excluded: chain A residue 285 VAL Chi-restraints excluded: chain A residue 286 THR Chi-restraints excluded: chain A residue 287 THR Chi-restraints excluded: chain A residue 299 LEU Chi-restraints excluded: chain A residue 300 VAL Chi-restraints excluded: chain A residue 302 VAL Chi-restraints excluded: chain A residue 303 ASP Chi-restraints excluded: chain A residue 306 LYS Chi-restraints excluded: chain A residue 312 THR Chi-restraints excluded: chain A residue 313 SER Chi-restraints excluded: chain A residue 343 GLU Chi-restraints excluded: chain A residue 345 LEU Chi-restraints excluded: chain A residue 348 VAL Chi-restraints excluded: chain A residue 357 LEU Chi-restraints excluded: chain A residue 358 THR Chi-restraints excluded: chain A residue 359 TYR Chi-restraints excluded: chain A residue 373 LYS Chi-restraints excluded: chain A residue 381 GLU Chi-restraints excluded: chain A residue 384 MET Chi-restraints excluded: chain A residue 389 PHE Chi-restraints excluded: chain A residue 390 LEU Chi-restraints excluded: chain A residue 396 GLU Chi-restraints excluded: chain A residue 398 SER Chi-restraints excluded: chain A residue 419 ASP Chi-restraints excluded: chain A residue 420 SER Chi-restraints excluded: chain A residue 422 SER Chi-restraints excluded: chain A residue 424 LYS Chi-restraints excluded: chain A residue 436 LEU Chi-restraints excluded: chain A residue 444 SER Chi-restraints excluded: chain A residue 453 GLU Chi-restraints excluded: chain A residue 455 PRO Chi-restraints excluded: chain A residue 456 SER Chi-restraints excluded: chain A residue 457 GLU Chi-restraints excluded: chain A residue 459 LEU Chi-restraints excluded: chain A residue 469 ARG Chi-restraints excluded: chain A residue 470 SER Chi-restraints excluded: chain A residue 472 ARG Chi-restraints excluded: chain A residue 477 LEU Chi-restraints excluded: chain A residue 478 PHE Chi-restraints excluded: chain A residue 483 MET Chi-restraints excluded: chain A residue 487 VAL Chi-restraints excluded: chain A residue 488 LEU Chi-restraints excluded: chain A residue 494 LEU Chi-restraints excluded: chain A residue 497 TYR Chi-restraints excluded: chain A residue 498 THR Chi-restraints excluded: chain A residue 499 THR Chi-restraints excluded: chain A residue 503 PHE Chi-restraints excluded: chain A residue 510 GLU Chi-restraints excluded: chain A residue 514 SER Chi-restraints excluded: chain A residue 517 GLU Chi-restraints excluded: chain A residue 520 ASN Chi-restraints excluded: chain A residue 524 GLU Chi-restraints excluded: chain A residue 526 LEU Chi-restraints excluded: chain A residue 534 ARG Chi-restraints excluded: chain A residue 536 ASN Chi-restraints excluded: chain A residue 537 CYS Chi-restraints excluded: chain A residue 542 THR Chi-restraints excluded: chain A residue 549 SER Chi-restraints excluded: chain A residue 553 ARG Chi-restraints excluded: chain A residue 554 LEU Chi-restraints excluded: chain A residue 557 SER Chi-restraints excluded: chain A residue 566 CYS Chi-restraints excluded: chain A residue 569 ILE Chi-restraints excluded: chain A residue 570 GLU Chi-restraints excluded: chain A residue 573 GLU Chi-restraints excluded: chain A residue 578 ILE Chi-restraints excluded: chain A residue 581 ASN Chi-restraints excluded: chain A residue 587 ILE Chi-restraints excluded: chain A residue 600 LEU Chi-restraints excluded: chain A residue 608 VAL Chi-restraints excluded: chain A residue 614 VAL Chi-restraints excluded: chain A residue 616 SER Chi-restraints excluded: chain A residue 622 THR Chi-restraints excluded: chain A residue 626 LEU Chi-restraints excluded: chain A residue 634 GLN Chi-restraints excluded: chain A residue 637 LEU Chi-restraints excluded: chain A residue 641 VAL Chi-restraints excluded: chain A residue 643 SER Chi-restraints excluded: chain A residue 648 ILE Chi-restraints excluded: chain A residue 650 VAL Chi-restraints excluded: chain A residue 652 ARG Chi-restraints excluded: chain A residue 659 TYR Chi-restraints excluded: chain A residue 661 LYS Chi-restraints excluded: chain A residue 662 TRP Chi-restraints excluded: chain A residue 663 TYR Chi-restraints excluded: chain A residue 668 VAL Chi-restraints excluded: chain A residue 669 ASP 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 692 TYR Chi-restraints excluded: chain A residue 700 GLU Chi-restraints excluded: chain A residue 707 VAL Chi-restraints excluded: chain A residue 710 ASP Chi-restraints excluded: chain A residue 716 PHE Chi-restraints excluded: chain A residue 719 LEU Chi-restraints excluded: chain A residue 720 HIS Chi-restraints excluded: chain A residue 723 THR Chi-restraints excluded: chain A residue 726 VAL Chi-restraints excluded: chain A residue 730 VAL Chi-restraints excluded: chain A residue 735 GLN Chi-restraints excluded: chain A residue 737 LEU Chi-restraints excluded: chain A residue 744 VAL Chi-restraints excluded: chain A residue 745 SER Chi-restraints excluded: chain A residue 751 SER Chi-restraints excluded: chain A residue 752 VAL Chi-restraints excluded: chain A residue 754 SER Chi-restraints excluded: chain A residue 758 ARG Chi-restraints excluded: chain A residue 776 LEU Chi-restraints excluded: chain A residue 780 VAL Chi-restraints excluded: chain A residue 784 SER Chi-restraints excluded: chain A residue 788 LYS Chi-restraints excluded: chain A residue 790 ARG Chi-restraints excluded: chain A residue 791 PHE Chi-restraints excluded: chain A residue 793 LEU Chi-restraints excluded: chain A residue 800 PHE Chi-restraints excluded: chain A residue 803 LEU Chi-restraints excluded: chain A residue 811 CYS Chi-restraints excluded: chain A residue 812 HIS Chi-restraints excluded: chain A residue 818 ARG Chi-restraints excluded: chain A residue 831 ARG Chi-restraints excluded: chain A residue 835 ARG Chi-restraints excluded: chain A residue 840 VAL Chi-restraints excluded: chain A residue 850 ASP Chi-restraints excluded: chain A residue 858 THR Chi-restraints excluded: chain A residue 867 LEU Chi-restraints excluded: chain A residue 868 GLU Chi-restraints excluded: chain A residue 869 ARG Chi-restraints excluded: chain A residue 870 ILE Chi-restraints excluded: chain A residue 884 LEU Chi-restraints excluded: chain A residue 887 ILE Chi-restraints excluded: chain A residue 891 TRP Chi-restraints excluded: chain A residue 893 TYR Chi-restraints excluded: chain A residue 907 LEU Chi-restraints excluded: chain A residue 927 GLU Chi-restraints excluded: chain A residue 939 VAL Chi-restraints excluded: chain A residue 974 HIS Chi-restraints excluded: chain A residue 978 THR Chi-restraints excluded: chain A residue 1034 SER Chi-restraints excluded: chain A residue 1036 ARG Chi-restraints excluded: chain A residue 1037 ASP Chi-restraints excluded: chain A residue 1044 ARG Chi-restraints excluded: chain A residue 1046 LEU Chi-restraints excluded: chain A residue 1076 ARG Chi-restraints excluded: chain A residue 1079 LYS Chi-restraints excluded: chain A residue 1080 SER Chi-restraints excluded: chain A residue 1082 THR Chi-restraints excluded: chain A residue 1083 VAL Chi-restraints excluded: chain A residue 1099 GLU Chi-restraints excluded: chain A residue 1102 VAL Chi-restraints excluded: chain A residue 1110 ARG Chi-restraints excluded: chain A residue 1112 ASP Chi-restraints excluded: chain A residue 1113 VAL Chi-restraints excluded: chain A residue 1120 LEU Chi-restraints excluded: chain A residue 1123 VAL Chi-restraints excluded: chain A residue 1133 HIS Chi-restraints excluded: chain A residue 1134 LEU Chi-restraints excluded: chain A residue 1139 PHE Chi-restraints excluded: chain A residue 1141 ARG Chi-restraints excluded: chain A residue 1148 VAL Chi-restraints excluded: chain A residue 1149 VAL Chi-restraints excluded: chain A residue 1152 MET Chi-restraints excluded: chain A residue 1153 ILE Chi-restraints excluded: chain A residue 1154 ASP Chi-restraints excluded: chain A residue 1159 THR Chi-restraints excluded: chain A residue 1164 LEU Chi-restraints excluded: chain A residue 1179 PHE Chi-restraints excluded: chain A residue 1184 ILE Chi-restraints excluded: chain A residue 1191 VAL Chi-restraints excluded: chain A residue 1193 SER Chi-restraints excluded: chain A residue 1198 GLN Chi-restraints excluded: chain A residue 1201 HIS 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 1210 SER Chi-restraints excluded: chain A residue 1214 PHE Chi-restraints excluded: chain A residue 1230 MET Chi-restraints excluded: chain A residue 1232 ARG Chi-restraints excluded: chain A residue 1234 VAL Chi-restraints excluded: chain A residue 1238 PHE Chi-restraints excluded: chain A residue 1239 SER Chi-restraints excluded: chain A residue 1241 SER Chi-restraints excluded: chain A residue 1242 LEU Chi-restraints excluded: chain A residue 1255 TYR Chi-restraints excluded: chain A residue 1260 MET Chi-restraints excluded: chain A residue 1266 THR Chi-restraints excluded: chain A residue 1574 PRO 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 1608 MET Chi-restraints excluded: chain A residue 1612 PHE Chi-restraints excluded: chain A residue 1635 THR Chi-restraints excluded: chain A residue 1637 MET Chi-restraints excluded: chain A residue 1639 LEU Chi-restraints excluded: chain A residue 1647 CYS Chi-restraints excluded: chain A residue 1648 MET Chi-restraints excluded: chain A residue 1652 GLU Chi-restraints excluded: chain A residue 1653 LEU Chi-restraints excluded: chain A residue 1655 GLU Chi-restraints excluded: chain A residue 1656 ARG Chi-restraints excluded: chain A residue 1664 SER Chi-restraints excluded: chain A residue 1666 THR Chi-restraints excluded: chain A residue 1671 ARG Chi-restraints excluded: chain A residue 1681 VAL Chi-restraints excluded: chain A residue 1687 SER Chi-restraints excluded: chain A residue 1693 GLN Chi-restraints excluded: chain A residue 1695 LEU Chi-restraints excluded: chain A residue 1700 ASP Chi-restraints excluded: chain A residue 1702 HIS Chi-restraints excluded: chain A residue 1706 PRO Chi-restraints excluded: chain A residue 1714 LEU Chi-restraints excluded: chain A residue 1716 ILE Chi-restraints excluded: chain A residue 1717 SER Chi-restraints excluded: chain A residue 1720 LEU Chi-restraints excluded: chain A residue 1721 GLU Chi-restraints excluded: chain A residue 1724 CYS Chi-restraints excluded: chain A residue 1727 ARG Chi-restraints excluded: chain A residue 1729 SER Chi-restraints excluded: chain A residue 1730 MET Chi-restraints excluded: chain A residue 1731 LEU Chi-restraints excluded: chain A residue 1733 GLU Chi-restraints excluded: chain A residue 1736 VAL Chi-restraints excluded: chain A residue 1742 THR Chi-restraints excluded: chain A residue 1745 ILE Chi-restraints excluded: chain A residue 1765 VAL Chi-restraints excluded: chain A residue 1769 THR Chi-restraints excluded: chain A residue 1770 SER Chi-restraints excluded: chain A residue 1771 LEU Chi-restraints excluded: chain A residue 1797 ARG Chi-restraints excluded: chain A residue 1798 LEU Chi-restraints excluded: chain A residue 1802 ILE Chi-restraints excluded: chain A residue 1817 GLU Chi-restraints excluded: chain A residue 1830 VAL Chi-restraints excluded: chain A residue 1833 SER Chi-restraints excluded: chain A residue 1834 VAL Chi-restraints excluded: chain A residue 1845 VAL Chi-restraints excluded: chain A residue 1847 THR Chi-restraints excluded: chain A residue 1850 VAL Chi-restraints excluded: chain A residue 1865 MET Chi-restraints excluded: chain A residue 1934 SER Chi-restraints excluded: chain A residue 1935 VAL Chi-restraints excluded: chain A residue 1947 CYS Chi-restraints excluded: chain A residue 1950 GLU Chi-restraints excluded: chain A residue 1953 HIS Chi-restraints excluded: chain A residue 1955 VAL Chi-restraints excluded: chain A residue 1963 GLU Chi-restraints excluded: chain A residue 1965 TYR Chi-restraints excluded: chain A residue 1969 LEU Chi-restraints excluded: chain A residue 1973 GLN Chi-restraints excluded: chain A residue 1980 LEU Chi-restraints excluded: chain A residue 2006 ILE Chi-restraints excluded: chain A residue 2010 LEU Chi-restraints excluded: chain A residue 2011 HIS Chi-restraints excluded: chain A residue 2027 ILE Chi-restraints excluded: chain A residue 2031 LEU Chi-restraints excluded: chain A residue 2032 GLN Chi-restraints excluded: chain A residue 2039 LEU Chi-restraints excluded: chain A residue 2041 HIS Chi-restraints excluded: chain A residue 2097 LEU Chi-restraints excluded: chain A residue 2098 VAL Chi-restraints excluded: chain A residue 2099 SER Chi-restraints excluded: chain A residue 2103 VAL Chi-restraints excluded: chain A residue 2117 VAL Chi-restraints excluded: chain A residue 2122 SER Chi-restraints excluded: chain A residue 2125 HIS Chi-restraints excluded: chain A residue 2126 ARG Chi-restraints excluded: chain A residue 2128 TYR Chi-restraints excluded: chain A residue 2140 ARG Chi-restraints excluded: chain A residue 2148 SER Chi-restraints excluded: chain A residue 2152 THR Chi-restraints excluded: chain A residue 2162 ILE Chi-restraints excluded: chain A residue 2164 SER Chi-restraints excluded: chain A residue 2166 LEU Chi-restraints excluded: chain A residue 2167 ILE Chi-restraints excluded: chain A residue 2170 MET Chi-restraints excluded: chain A residue 2172 PRO Chi-restraints excluded: chain A residue 2187 ASN Chi-restraints excluded: chain A residue 2191 PHE Chi-restraints excluded: chain A residue 2192 TYR Chi-restraints excluded: chain A residue 2194 HIS Chi-restraints excluded: chain A residue 2198 MET Chi-restraints excluded: chain A residue 2203 MET Chi-restraints excluded: chain A residue 2210 VAL Chi-restraints excluded: chain A residue 2215 LEU Chi-restraints excluded: chain A residue 2223 ILE Chi-restraints excluded: chain A residue 2240 CYS Chi-restraints excluded: chain A residue 2243 SER Chi-restraints excluded: chain A residue 2245 GLN Chi-restraints excluded: chain A residue 2246 ASN Chi-restraints excluded: chain A residue 2249 SER Chi-restraints excluded: chain A residue 2253 HIS Chi-restraints excluded: chain A residue 2273 LEU Chi-restraints excluded: chain A residue 2274 ASP Chi-restraints excluded: chain A residue 2275 VAL Chi-restraints excluded: chain A residue 2279 SER Chi-restraints excluded: chain A residue 2281 ILE Chi-restraints excluded: chain A residue 2286 LEU Chi-restraints excluded: chain A residue 2290 LEU Chi-restraints excluded: chain A residue 2291 GLN Chi-restraints excluded: chain A residue 2292 GLU Chi-restraints excluded: chain A residue 2299 VAL Chi-restraints excluded: chain A residue 2300 SER Chi-restraints excluded: chain A residue 2301 TYR Chi-restraints excluded: chain A residue 2302 LEU Chi-restraints excluded: chain A residue 2336 ARG Chi-restraints excluded: chain A residue 2339 VAL Chi-restraints excluded: chain A residue 2341 VAL Chi-restraints excluded: chain A residue 2364 PHE Chi-restraints excluded: chain A residue 2418 LEU Chi-restraints excluded: chain A residue 2420 HIS Chi-restraints excluded: chain A residue 2438 PRO Chi-restraints excluded: chain A residue 2442 LEU Chi-restraints excluded: chain A residue 2443 ILE Chi-restraints excluded: chain A residue 2451 LEU Chi-restraints excluded: chain A residue 2456 ILE Chi-restraints excluded: chain A residue 2457 LEU Chi-restraints excluded: chain A residue 2458 ARG Chi-restraints excluded: chain A residue 2460 LEU Chi-restraints excluded: chain A residue 2470 ILE Chi-restraints excluded: chain A residue 2472 LEU Chi-restraints excluded: chain A residue 2742 THR Chi-restraints excluded: chain A residue 2752 ASP Chi-restraints excluded: chain A residue 2758 PHE Chi-restraints excluded: chain A residue 2761 TYR Chi-restraints excluded: chain A residue 2762 THR Chi-restraints excluded: chain A residue 2777 TYR Chi-restraints excluded: chain A residue 2779 GLU Chi-restraints excluded: chain A residue 2806 ARG Chi-restraints excluded: chain A residue 2807 TRP Chi-restraints excluded: chain A residue 2811 GLU Chi-restraints excluded: chain A residue 2812 SER Chi-restraints excluded: chain A residue 2869 ARG Chi-restraints excluded: chain A residue 2872 GLN Chi-restraints excluded: chain A residue 2882 TYR Chi-restraints excluded: chain A residue 2883 HIS Chi-restraints excluded: chain A residue 2889 LYS Chi-restraints excluded: chain A residue 2892 GLN Chi-restraints excluded: chain A residue 2895 GLU Chi-restraints excluded: chain A residue 2901 THR Chi-restraints excluded: chain A residue 2906 VAL Chi-restraints excluded: chain A residue 2912 THR Chi-restraints excluded: chain A residue 2932 MET Chi-restraints excluded: chain A residue 3641 LEU Chi-restraints excluded: chain A residue 3642 TYR Chi-restraints excluded: chain A residue 3643 ASN Chi-restraints excluded: chain A residue 3647 HIS Chi-restraints excluded: chain A residue 3648 ARG Chi-restraints excluded: chain A residue 3656 SER Chi-restraints excluded: chain A residue 3657 TYR Chi-restraints excluded: chain A residue 3658 LYS Chi-restraints excluded: chain A residue 3661 TRP Chi-restraints excluded: chain A residue 3664 THR Chi-restraints excluded: chain A residue 3669 PHE Chi-restraints excluded: chain A residue 3672 ARG Chi-restraints excluded: chain A residue 3674 ILE Chi-restraints excluded: chain A residue 3678 SER Chi-restraints excluded: chain A residue 3696 ASP Chi-restraints excluded: chain A residue 3703 LEU Chi-restraints excluded: chain A residue 3706 SER Chi-restraints excluded: chain A residue 3708 THR Chi-restraints excluded: chain A residue 3710 LEU Chi-restraints excluded: chain A residue 3711 THR Chi-restraints excluded: chain A residue 3712 GLU Chi-restraints excluded: chain A residue 3727 ASP Chi-restraints excluded: chain A residue 3733 CYS Chi-restraints excluded: chain A residue 3751 VAL Chi-restraints excluded: chain A residue 3752 SER Chi-restraints excluded: chain A residue 3753 PHE Chi-restraints excluded: chain A residue 3761 GLN Chi-restraints excluded: chain A residue 3762 ARG Chi-restraints excluded: chain A residue 3764 LEU Chi-restraints excluded: chain A residue 3768 SER Chi-restraints excluded: chain A residue 3790 THR Chi-restraints excluded: chain A residue 3794 VAL Chi-restraints excluded: chain A residue 3795 SER Chi-restraints excluded: chain A residue 3803 SER Chi-restraints excluded: chain A residue 3804 ILE Chi-restraints excluded: chain A residue 3805 LEU Chi-restraints excluded: chain A residue 3809 ASN Chi-restraints excluded: chain A residue 3822 ASP Chi-restraints excluded: chain A residue 3825 GLU Chi-restraints excluded: chain A residue 3830 GLN Chi-restraints excluded: chain A residue 3835 LEU Chi-restraints excluded: chain A residue 3836 MET Chi-restraints excluded: chain A residue 3838 THR Chi-restraints excluded: chain A residue 3842 LEU Chi-restraints excluded: chain A residue 3886 ARG Chi-restraints excluded: chain A residue 3890 LEU Chi-restraints excluded: chain A residue 3892 CYS Chi-restraints excluded: chain A residue 3899 PHE Chi-restraints excluded: chain A residue 3905 THR Chi-restraints excluded: chain A residue 3907 THR Chi-restraints excluded: chain A residue 3910 THR Chi-restraints excluded: chain A residue 3911 THR Chi-restraints excluded: chain A residue 3913 ILE Chi-restraints excluded: chain A residue 3919 THR Chi-restraints excluded: chain A residue 3920 VAL Chi-restraints excluded: chain A residue 3930 ILE Chi-restraints excluded: chain A residue 3938 SER Chi-restraints excluded: chain A residue 3952 SER Chi-restraints excluded: chain A residue 3964 SER Chi-restraints excluded: chain A residue 3966 THR Chi-restraints excluded: chain A residue 3973 CYS Chi-restraints excluded: chain A residue 3974 THR Chi-restraints excluded: chain A residue 3979 SER Chi-restraints excluded: chain A residue 3984 ARG Chi-restraints excluded: chain A residue 4021 LYS Chi-restraints excluded: chain A residue 4035 VAL Chi-restraints excluded: chain A residue 4040 ILE Chi-restraints excluded: chain A residue 4045 VAL Chi-restraints excluded: chain A residue 4052 SER Chi-restraints excluded: chain A residue 4053 SER Chi-restraints excluded: chain A residue 4054 ASN Chi-restraints excluded: chain A residue 4066 LEU Chi-restraints excluded: chain A residue 4071 ILE Chi-restraints excluded: chain A residue 4072 VAL Chi-restraints excluded: chain A residue 4074 SER Chi-restraints excluded: chain A residue 4078 GLN Chi-restraints excluded: chain A residue 4081 VAL Chi-restraints excluded: chain A residue 4082 THR Chi-restraints excluded: chain A residue 4083 ASP Chi-restraints excluded: chain A residue 4088 ILE Chi-restraints excluded: chain A residue 4092 ASP Chi-restraints excluded: chain A residue 4097 MET Chi-restraints excluded: chain A residue 4098 ASP Chi-restraints excluded: chain A residue 4100 GLN Chi-restraints excluded: chain A residue 4102 GLN Chi-restraints excluded: chain A residue 4104 THR Chi-restraints excluded: chain A residue 4108 ILE Chi-restraints excluded: chain A residue 4113 SER Chi-restraints excluded: chain A residue 4114 CYS Chi-restraints excluded: chain A residue 4115 SER Chi-restraints excluded: chain A residue 4116 GLU Chi-restraints excluded: chain A residue 4118 ASP Chi-restraints excluded: chain A residue 4119 GLU 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 4132 PHE Chi-restraints excluded: chain A residue 4142 ASN Chi-restraints excluded: chain A residue 4151 SER Chi-restraints excluded: chain A residue 4152 GLU Chi-restraints excluded: chain A residue 4161 ARG Chi-restraints excluded: chain A residue 4166 LEU Chi-restraints excluded: chain A residue 4168 GLU Chi-restraints excluded: chain A residue 4170 ILE Chi-restraints excluded: chain A residue 4180 ARG Chi-restraints excluded: chain A residue 4182 GLU Chi-restraints excluded: chain A residue 4183 ILE Chi-restraints excluded: chain A residue 4187 SER Chi-restraints excluded: chain A residue 4190 ILE Chi-restraints excluded: chain A residue 4192 ARG Chi-restraints excluded: chain A residue 4197 ILE Chi-restraints excluded: chain A residue 4199 GLU Chi-restraints excluded: chain A residue 4205 TRP Chi-restraints excluded: chain A residue 4213 SER Chi-restraints excluded: chain A residue 4217 PHE Chi-restraints excluded: chain A residue 4221 VAL Chi-restraints excluded: chain A residue 4236 SER Chi-restraints excluded: chain A residue 4241 THR Chi-restraints excluded: chain A residue 4246 GLN Chi-restraints excluded: chain A residue 4251 ILE Chi-restraints excluded: chain A residue 4549 VAL Chi-restraints excluded: chain A residue 4552 LEU Chi-restraints excluded: chain A residue 4553 ASN Chi-restraints excluded: chain A residue 4561 THR Chi-restraints excluded: chain A residue 4562 LEU Chi-restraints excluded: chain A residue 4563 ARG Chi-restraints excluded: chain A residue 4569 LEU Chi-restraints excluded: chain A residue 4571 PHE Chi-restraints excluded: chain A residue 4573 ILE Chi-restraints excluded: chain A residue 4580 TYR Chi-restraints excluded: chain A residue 4628 VAL Chi-restraints excluded: chain A residue 4631 PHE Chi-restraints excluded: chain A residue 4632 LEU Chi-restraints excluded: chain A residue 4639 MET Chi-restraints excluded: chain A residue 4643 LEU Chi-restraints excluded: chain A residue 4647 SER Chi-restraints excluded: chain A residue 4648 LEU Chi-restraints excluded: chain A residue 4651 THR Chi-restraints excluded: chain A residue 4655 PHE Chi-restraints excluded: chain A residue 4670 ILE Chi-restraints excluded: chain A residue 4676 GLU Chi-restraints excluded: chain A residue 4681 LEU Chi-restraints excluded: chain A residue 4688 ILE Chi-restraints excluded: chain A residue 4695 ASP Chi-restraints excluded: chain A residue 4722 ARG Chi-restraints excluded: chain A residue 4723 LYS Chi-restraints excluded: chain A residue 4724 VAL Chi-restraints excluded: chain A residue 4728 HIS Chi-restraints excluded: chain A residue 4736 ARG Chi-restraints excluded: chain A residue 4741 LEU Chi-restraints excluded: chain A residue 4743 MET Chi-restraints excluded: chain A residue 4744 ASP Chi-restraints excluded: chain A residue 4751 THR Chi-restraints excluded: chain A residue 4765 LEU Chi-restraints excluded: chain A residue 4768 LEU Chi-restraints excluded: chain A residue 4770 SER Chi-restraints excluded: chain A residue 4773 VAL Chi-restraints excluded: chain A residue 4782 VAL Chi-restraints excluded: chain A residue 4788 SER Chi-restraints excluded: chain A residue 4797 VAL Chi-restraints excluded: chain A residue 4799 SER Chi-restraints excluded: chain A residue 4803 HIS Chi-restraints excluded: chain A residue 4804 TYR Chi-restraints excluded: chain A residue 4818 MET Chi-restraints excluded: chain A residue 4822 THR Chi-restraints excluded: chain A residue 4827 LEU Chi-restraints excluded: chain A residue 4828 SER Chi-restraints excluded: chain A residue 4831 THR Chi-restraints excluded: chain A residue 4840 THR Chi-restraints excluded: chain A residue 4852 THR Chi-restraints excluded: chain A residue 4856 PHE Chi-restraints excluded: chain A residue 4858 PHE Chi-restraints excluded: chain A residue 4860 ARG Chi-restraints excluded: chain A residue 4861 LYS Chi-restraints excluded: chain A residue 4865 LYS Chi-restraints excluded: chain A residue 4869 GLU Chi-restraints excluded: chain A residue 4870 ASP Chi-restraints excluded: chain A residue 4871 GLU Chi-restraints excluded: chain A residue 4873 ASP Chi-restraints excluded: chain A residue 4875 LYS Chi-restraints excluded: chain A residue 4879 MET Chi-restraints excluded: chain A residue 4881 THR Chi-restraints excluded: chain A residue 4887 MET Chi-restraints excluded: chain A residue 4888 TYR Chi-restraints excluded: chain A residue 4891 VAL Chi-restraints excluded: chain A residue 4910 GLU Chi-restraints excluded: chain A residue 4913 ARG Chi-restraints excluded: chain A residue 4915 VAL Chi-restraints excluded: chain A residue 4919 THR Chi-restraints excluded: chain A residue 4925 ILE Chi-restraints excluded: chain A residue 4928 LEU Chi-restraints excluded: chain A residue 4937 ILE Chi-restraints excluded: chain A residue 4938 ASP Chi-restraints excluded: chain A residue 4943 LEU Chi-restraints excluded: chain A residue 4947 GLN Chi-restraints excluded: chain A residue 4950 VAL Chi-restraints excluded: chain A residue 4952 GLU Chi-restraints excluded: chain A residue 4953 ASP Chi-restraints excluded: chain A residue 4957 LYS Chi-restraints excluded: chain A residue 4961 CYS Chi-restraints excluded: chain A residue 4963 ILE Chi-restraints excluded: chain A residue 4965 SER Chi-restraints excluded: chain A residue 4967 TYR Chi-restraints excluded: chain A residue 4970 THR Chi-restraints excluded: chain A residue 4971 THR Chi-restraints excluded: chain A residue 4977 THR Chi-restraints excluded: chain A residue 4979 THR Chi-restraints excluded: chain A residue 4983 HIS Chi-restraints excluded: chain A residue 4985 LEU Chi-restraints excluded: chain A residue 4989 MET Chi-restraints excluded: chain A residue 4997 ASN Chi-restraints excluded: chain A residue 5001 THR Chi-restraints excluded: chain A residue 5008 SER Chi-restraints excluded: chain A residue 5016 GLU Chi-restraints excluded: chain A residue 5018 CYS Chi-restraints excluded: chain A residue 5020 ASP Chi-restraints excluded: chain A residue 5021 PHE Chi-restraints excluded: chain A residue 5030 LYS Chi-restraints excluded: chain A residue 5034 ASP Chi-restraints excluded: chain A residue 5036 LEU Chi-restraints excluded: chain A residue 5037 SER Chi-restraints excluded: chain C residue 13 PHE Chi-restraints excluded: chain C residue 15 ARG Chi-restraints excluded: chain C residue 17 ASP Chi-restraints excluded: chain C residue 20 VAL Chi-restraints excluded: chain C residue 21 VAL Chi-restraints excluded: chain C residue 24 CYS Chi-restraints excluded: chain C residue 28 VAL Chi-restraints excluded: chain C residue 37 LEU Chi-restraints excluded: chain C residue 49 LEU Chi-restraints excluded: chain C residue 50 GLU Chi-restraints excluded: chain C residue 57 ASN Chi-restraints excluded: chain C residue 58 VAL Chi-restraints excluded: chain C residue 64 ILE Chi-restraints excluded: chain C residue 68 THR Chi-restraints excluded: chain C residue 71 GLN Chi-restraints excluded: chain C residue 74 SER Chi-restraints excluded: chain C residue 75 VAL Chi-restraints excluded: chain C residue 80 GLU Chi-restraints excluded: chain C residue 81 MET Chi-restraints excluded: chain C residue 82 LEU Chi-restraints excluded: chain C residue 98 HIS Chi-restraints excluded: chain C residue 107 ILE Chi-restraints excluded: chain C residue 109 LEU Chi-restraints excluded: chain C residue 111 HIS Chi-restraints excluded: chain C residue 114 SER Chi-restraints excluded: chain C residue 115 ARG Chi-restraints excluded: chain C residue 119 SER Chi-restraints excluded: chain C residue 124 SER Chi-restraints excluded: chain C residue 131 LEU Chi-restraints excluded: chain C residue 138 GLN Chi-restraints excluded: chain C residue 144 GLU Chi-restraints excluded: chain C residue 149 THR Chi-restraints excluded: chain C residue 150 MET Chi-restraints excluded: chain C residue 151 HIS Chi-restraints excluded: chain C residue 154 SER Chi-restraints excluded: chain C residue 157 ARG Chi-restraints excluded: chain C residue 159 GLU Chi-restraints excluded: chain C residue 161 GLU Chi-restraints excluded: chain C residue 162 LYS Chi-restraints excluded: chain C residue 163 VAL Chi-restraints excluded: chain C residue 164 ARG Chi-restraints excluded: chain C residue 165 VAL Chi-restraints excluded: chain C residue 167 ASP Chi-restraints excluded: chain C residue 170 ILE Chi-restraints excluded: chain C residue 173 SER Chi-restraints excluded: chain C residue 174 VAL Chi-restraints excluded: chain C residue 189 LEU Chi-restraints excluded: chain C residue 192 ASP Chi-restraints excluded: chain C residue 194 SER Chi-restraints excluded: chain C residue 206 CYS Chi-restraints excluded: chain C residue 210 GLU Chi-restraints excluded: chain C residue 215 THR Chi-restraints excluded: chain C residue 219 VAL Chi-restraints excluded: chain C residue 222 LEU Chi-restraints excluded: chain C residue 226 HIS Chi-restraints excluded: chain C residue 229 GLU Chi-restraints excluded: chain C residue 232 THR Chi-restraints excluded: chain C residue 240 ASP Chi-restraints excluded: chain C residue 243 ARG Chi-restraints excluded: chain C residue 248 GLU Chi-restraints excluded: chain C residue 258 SER Chi-restraints excluded: chain C residue 260 TRP Chi-restraints excluded: chain C residue 261 ARG Chi-restraints excluded: chain C residue 262 LEU Chi-restraints excluded: chain C residue 267 ILE Chi-restraints excluded: chain C residue 272 SER Chi-restraints excluded: chain C residue 275 ARG Chi-restraints excluded: chain C residue 276 TRP Chi-restraints excluded: chain C residue 278 GLN Chi-restraints excluded: chain C residue 281 ARG Chi-restraints excluded: chain C residue 285 VAL Chi-restraints excluded: chain C residue 286 THR Chi-restraints excluded: chain C residue 287 THR Chi-restraints excluded: chain C residue 299 LEU Chi-restraints excluded: chain C residue 300 VAL Chi-restraints excluded: chain C residue 302 VAL Chi-restraints excluded: chain C residue 303 ASP Chi-restraints excluded: chain C residue 306 LYS Chi-restraints excluded: chain C residue 312 THR Chi-restraints excluded: chain C residue 313 SER Chi-restraints excluded: chain C residue 320 LYS Chi-restraints excluded: chain C residue 343 GLU Chi-restraints excluded: chain C residue 345 LEU Chi-restraints excluded: chain C residue 348 VAL Chi-restraints excluded: chain C residue 357 LEU Chi-restraints excluded: chain C residue 358 THR Chi-restraints excluded: chain C residue 359 TYR Chi-restraints excluded: chain C residue 373 LYS Chi-restraints excluded: chain C residue 381 GLU Chi-restraints excluded: chain C residue 388 LEU Chi-restraints excluded: chain C residue 389 PHE Chi-restraints excluded: chain C residue 390 LEU Chi-restraints excluded: chain C residue 396 GLU Chi-restraints excluded: chain C residue 398 SER Chi-restraints excluded: chain C residue 419 ASP Chi-restraints excluded: chain C residue 420 SER Chi-restraints excluded: chain C residue 422 SER Chi-restraints excluded: chain C residue 424 LYS Chi-restraints excluded: chain C residue 436 LEU Chi-restraints excluded: chain C residue 444 SER Chi-restraints excluded: chain C residue 453 GLU Chi-restraints excluded: chain C residue 455 PRO Chi-restraints excluded: chain C residue 456 SER Chi-restraints excluded: chain C residue 457 GLU Chi-restraints excluded: chain C residue 459 LEU Chi-restraints excluded: chain C residue 469 ARG Chi-restraints excluded: chain C residue 470 SER Chi-restraints excluded: chain C residue 477 LEU Chi-restraints excluded: chain C residue 478 PHE Chi-restraints excluded: chain C residue 487 VAL Chi-restraints excluded: chain C residue 488 LEU Chi-restraints excluded: chain C residue 494 LEU Chi-restraints excluded: chain C residue 497 TYR Chi-restraints excluded: chain C residue 498 THR Chi-restraints excluded: chain C residue 499 THR Chi-restraints excluded: chain C residue 503 PHE Chi-restraints excluded: chain C residue 510 GLU Chi-restraints excluded: chain C residue 514 SER Chi-restraints excluded: chain C residue 520 ASN Chi-restraints excluded: chain C residue 521 LEU Chi-restraints excluded: chain C residue 524 GLU Chi-restraints excluded: chain C residue 534 ARG Chi-restraints excluded: chain C residue 536 ASN Chi-restraints excluded: chain C residue 537 CYS Chi-restraints excluded: chain C residue 542 THR Chi-restraints excluded: chain C residue 549 SER Chi-restraints excluded: chain C residue 553 ARG Chi-restraints excluded: chain C residue 554 LEU Chi-restraints excluded: chain C residue 557 SER Chi-restraints excluded: chain C residue 566 CYS Chi-restraints excluded: chain C residue 569 ILE Chi-restraints excluded: chain C residue 570 GLU Chi-restraints excluded: chain C residue 573 GLU Chi-restraints excluded: chain C residue 581 ASN Chi-restraints excluded: chain C residue 587 ILE Chi-restraints excluded: chain C residue 590 LEU Chi-restraints excluded: chain C residue 600 LEU Chi-restraints excluded: chain C residue 608 VAL Chi-restraints excluded: chain C residue 614 VAL Chi-restraints excluded: chain C residue 616 SER Chi-restraints excluded: chain C residue 622 THR Chi-restraints excluded: chain C residue 629 ARG Chi-restraints excluded: chain C residue 634 GLN Chi-restraints excluded: chain C residue 637 LEU Chi-restraints excluded: chain C residue 641 VAL Chi-restraints excluded: chain C residue 643 SER Chi-restraints excluded: chain C residue 648 ILE Chi-restraints excluded: chain C residue 650 VAL Chi-restraints excluded: chain C residue 652 ARG Chi-restraints excluded: chain C residue 659 TYR Chi-restraints excluded: chain C residue 661 LYS Chi-restraints excluded: chain C residue 662 TRP Chi-restraints excluded: chain C residue 663 TYR Chi-restraints excluded: chain C residue 668 VAL Chi-restraints excluded: chain C residue 669 ASP Chi-restraints excluded: chain C residue 671 VAL Chi-restraints excluded: chain C residue 675 LEU Chi-restraints excluded: chain C residue 680 THR Chi-restraints excluded: chain C residue 683 ARG Chi-restraints excluded: chain C residue 684 VAL Chi-restraints excluded: chain C residue 692 TYR Chi-restraints excluded: chain C residue 700 GLU Chi-restraints excluded: chain C residue 707 VAL Chi-restraints excluded: chain C residue 710 ASP Chi-restraints excluded: chain C residue 716 PHE Chi-restraints excluded: chain C residue 719 LEU Chi-restraints excluded: chain C residue 720 HIS Chi-restraints excluded: chain C residue 726 VAL Chi-restraints excluded: chain C residue 730 VAL Chi-restraints excluded: chain C residue 737 LEU Chi-restraints excluded: chain C residue 744 VAL Chi-restraints excluded: chain C residue 751 SER Chi-restraints excluded: chain C residue 752 VAL Chi-restraints excluded: chain C residue 754 SER Chi-restraints excluded: chain C residue 758 ARG Chi-restraints excluded: chain C residue 776 LEU Chi-restraints excluded: chain C residue 780 VAL Chi-restraints excluded: chain C residue 784 SER Chi-restraints excluded: chain C residue 787 VAL Chi-restraints excluded: chain C residue 788 LYS Chi-restraints excluded: chain C residue 791 PHE Chi-restraints excluded: chain C residue 793 LEU Chi-restraints excluded: chain C residue 800 PHE Chi-restraints excluded: chain C residue 803 LEU Chi-restraints excluded: chain C residue 811 CYS Chi-restraints excluded: chain C residue 812 HIS Chi-restraints excluded: chain C residue 835 ARG Chi-restraints excluded: chain C residue 840 VAL Chi-restraints excluded: chain C residue 850 ASP Chi-restraints excluded: chain C residue 867 LEU Chi-restraints excluded: chain C residue 868 GLU Chi-restraints excluded: chain C residue 869 ARG Chi-restraints excluded: chain C residue 870 ILE Chi-restraints excluded: chain C residue 887 ILE Chi-restraints excluded: chain C residue 891 TRP Chi-restraints excluded: chain C residue 893 TYR Chi-restraints excluded: chain C residue 907 LEU Chi-restraints excluded: chain C residue 939 VAL Chi-restraints excluded: chain C residue 951 LYS Chi-restraints excluded: chain C residue 974 HIS Chi-restraints excluded: chain C residue 978 THR Chi-restraints excluded: chain C residue 1034 SER Chi-restraints excluded: chain C residue 1036 ARG Chi-restraints excluded: chain C residue 1037 ASP Chi-restraints excluded: chain C residue 1044 ARG Chi-restraints excluded: chain C residue 1046 LEU Chi-restraints excluded: chain C residue 1076 ARG Chi-restraints excluded: chain C residue 1079 LYS Chi-restraints excluded: chain C residue 1080 SER Chi-restraints excluded: chain C residue 1082 THR Chi-restraints excluded: chain C residue 1083 VAL Chi-restraints excluded: chain C residue 1099 GLU Chi-restraints excluded: chain C residue 1102 VAL Chi-restraints excluded: chain C residue 1110 ARG Chi-restraints excluded: chain C residue 1112 ASP Chi-restraints excluded: chain C residue 1113 VAL Chi-restraints excluded: chain C residue 1120 LEU Chi-restraints excluded: chain C residue 1123 VAL Chi-restraints excluded: chain C residue 1133 HIS Chi-restraints excluded: chain C residue 1134 LEU Chi-restraints excluded: chain C residue 1139 PHE Chi-restraints excluded: chain C residue 1141 ARG Chi-restraints excluded: chain C residue 1148 VAL Chi-restraints excluded: chain C residue 1149 VAL 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 1159 THR Chi-restraints excluded: chain C residue 1164 LEU Chi-restraints excluded: chain C residue 1179 PHE Chi-restraints excluded: chain C residue 1184 ILE Chi-restraints excluded: chain C residue 1191 VAL Chi-restraints excluded: chain C residue 1193 SER Chi-restraints excluded: chain C residue 1198 GLN Chi-restraints excluded: chain C residue 1201 HIS 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 1210 SER Chi-restraints excluded: chain C residue 1214 PHE Chi-restraints excluded: chain C residue 1230 MET Chi-restraints excluded: chain C residue 1232 ARG Chi-restraints excluded: chain C residue 1234 VAL Chi-restraints excluded: chain C residue 1238 PHE Chi-restraints excluded: chain C residue 1239 SER Chi-restraints excluded: chain C residue 1241 SER Chi-restraints excluded: chain C residue 1242 LEU Chi-restraints excluded: chain C residue 1255 TYR Chi-restraints excluded: chain C residue 1260 MET Chi-restraints excluded: chain C residue 1266 THR Chi-restraints excluded: chain C residue 1574 PRO 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 1608 MET Chi-restraints excluded: chain C residue 1612 PHE Chi-restraints excluded: chain C residue 1630 CYS Chi-restraints excluded: chain C residue 1635 THR Chi-restraints excluded: chain C residue 1637 MET Chi-restraints excluded: chain C residue 1639 LEU Chi-restraints excluded: chain C residue 1647 CYS Chi-restraints excluded: chain C residue 1648 MET Chi-restraints excluded: chain C residue 1652 GLU Chi-restraints excluded: chain C residue 1653 LEU Chi-restraints excluded: chain C residue 1654 SER Chi-restraints excluded: chain C residue 1655 GLU Chi-restraints excluded: chain C residue 1656 ARG Chi-restraints excluded: chain C residue 1664 SER Chi-restraints excluded: chain C residue 1666 THR Chi-restraints excluded: chain C residue 1671 ARG Chi-restraints excluded: chain C residue 1681 VAL Chi-restraints excluded: chain C residue 1687 SER Chi-restraints excluded: chain C residue 1689 VAL Chi-restraints excluded: chain C residue 1693 GLN Chi-restraints excluded: chain C residue 1695 LEU Chi-restraints excluded: chain C residue 1700 ASP Chi-restraints excluded: chain C residue 1702 HIS Chi-restraints excluded: chain C residue 1703 LEU Chi-restraints excluded: chain C residue 1706 PRO Chi-restraints excluded: chain C residue 1714 LEU Chi-restraints excluded: chain C residue 1716 ILE Chi-restraints excluded: chain C residue 1717 SER Chi-restraints excluded: chain C residue 1720 LEU Chi-restraints excluded: chain C residue 1721 GLU Chi-restraints excluded: chain C residue 1724 CYS Chi-restraints excluded: chain C residue 1727 ARG Chi-restraints excluded: chain C residue 1730 MET Chi-restraints excluded: chain C residue 1731 LEU Chi-restraints excluded: chain C residue 1733 GLU Chi-restraints excluded: chain C residue 1736 VAL Chi-restraints excluded: chain C residue 1742 THR Chi-restraints excluded: chain C residue 1745 ILE Chi-restraints excluded: chain C residue 1765 VAL Chi-restraints excluded: chain C residue 1769 THR Chi-restraints excluded: chain C residue 1770 SER Chi-restraints excluded: chain C residue 1771 LEU Chi-restraints excluded: chain C residue 1776 HIS Chi-restraints excluded: chain C residue 1778 SER Chi-restraints excluded: chain C residue 1786 LEU Chi-restraints excluded: chain C residue 1798 LEU Chi-restraints excluded: chain C residue 1802 ILE Chi-restraints excluded: chain C residue 1813 ARG Chi-restraints excluded: chain C residue 1817 GLU Chi-restraints excluded: chain C residue 1830 VAL Chi-restraints excluded: chain C residue 1833 SER Chi-restraints excluded: chain C residue 1834 VAL Chi-restraints excluded: chain C residue 1845 VAL Chi-restraints excluded: chain C residue 1847 THR Chi-restraints excluded: chain C residue 1850 VAL Chi-restraints excluded: chain C residue 1862 ILE Chi-restraints excluded: chain C residue 1865 MET Chi-restraints excluded: chain C residue 1935 VAL Chi-restraints excluded: chain C residue 1947 CYS Chi-restraints excluded: chain C residue 1950 GLU Chi-restraints excluded: chain C residue 1953 HIS Chi-restraints excluded: chain C residue 1955 VAL Chi-restraints excluded: chain C residue 1963 GLU Chi-restraints excluded: chain C residue 1965 TYR Chi-restraints excluded: chain C residue 1969 LEU Chi-restraints excluded: chain C residue 1973 GLN Chi-restraints excluded: chain C residue 1980 LEU Chi-restraints excluded: chain C residue 2006 ILE Chi-restraints excluded: chain C residue 2010 LEU Chi-restraints excluded: chain C residue 2011 HIS Chi-restraints excluded: chain C residue 2027 ILE Chi-restraints excluded: chain C residue 2031 LEU Chi-restraints excluded: chain C residue 2032 GLN Chi-restraints excluded: chain C residue 2039 LEU Chi-restraints excluded: chain C residue 2041 HIS Chi-restraints excluded: chain C residue 2097 LEU Chi-restraints excluded: chain C residue 2098 VAL Chi-restraints excluded: chain C residue 2099 SER Chi-restraints excluded: chain C residue 2117 VAL Chi-restraints excluded: chain C residue 2122 SER Chi-restraints excluded: chain C residue 2126 ARG Chi-restraints excluded: chain C residue 2128 TYR Chi-restraints excluded: chain C residue 2148 SER Chi-restraints excluded: chain C residue 2152 THR Chi-restraints excluded: chain C residue 2162 ILE Chi-restraints excluded: chain C residue 2164 SER Chi-restraints excluded: chain C residue 2166 LEU Chi-restraints excluded: chain C residue 2167 ILE Chi-restraints excluded: chain C residue 2170 MET Chi-restraints excluded: chain C residue 2172 PRO Chi-restraints excluded: chain C residue 2187 ASN Chi-restraints excluded: chain C residue 2191 PHE Chi-restraints excluded: chain C residue 2192 TYR Chi-restraints excluded: chain C residue 2194 HIS Chi-restraints excluded: chain C residue 2198 MET Chi-restraints excluded: chain C residue 2203 MET Chi-restraints excluded: chain C residue 2210 VAL Chi-restraints excluded: chain C residue 2215 LEU Chi-restraints excluded: chain C residue 2223 ILE Chi-restraints excluded: chain C residue 2229 VAL Chi-restraints excluded: chain C residue 2240 CYS Chi-restraints excluded: chain C residue 2243 SER Chi-restraints excluded: chain C residue 2245 GLN Chi-restraints excluded: chain C residue 2246 ASN Chi-restraints excluded: chain C residue 2249 SER Chi-restraints excluded: chain C residue 2253 HIS Chi-restraints excluded: chain C residue 2273 LEU Chi-restraints excluded: chain C residue 2274 ASP Chi-restraints excluded: chain C residue 2275 VAL Chi-restraints excluded: chain C residue 2279 SER Chi-restraints excluded: chain C residue 2281 ILE Chi-restraints excluded: chain C residue 2286 LEU Chi-restraints excluded: chain C residue 2290 LEU Chi-restraints excluded: chain C residue 2291 GLN Chi-restraints excluded: chain C residue 2292 GLU Chi-restraints excluded: chain C residue 2299 VAL Chi-restraints excluded: chain C residue 2300 SER Chi-restraints excluded: chain C residue 2301 TYR Chi-restraints excluded: chain C residue 2302 LEU Chi-restraints excluded: chain C residue 2336 ARG Chi-restraints excluded: chain C residue 2339 VAL Chi-restraints excluded: chain C residue 2341 VAL Chi-restraints excluded: chain C residue 2358 ILE Chi-restraints excluded: chain C residue 2364 PHE Chi-restraints excluded: chain C residue 2418 LEU Chi-restraints excluded: chain C residue 2420 HIS Chi-restraints excluded: chain C residue 2438 PRO Chi-restraints excluded: chain C residue 2442 LEU Chi-restraints excluded: chain C residue 2443 ILE Chi-restraints excluded: chain C residue 2449 GLU Chi-restraints excluded: chain C residue 2451 LEU Chi-restraints excluded: chain C residue 2456 ILE Chi-restraints excluded: chain C residue 2457 LEU Chi-restraints excluded: chain C residue 2458 ARG Chi-restraints excluded: chain C residue 2460 LEU Chi-restraints excluded: chain C residue 2470 ILE Chi-restraints excluded: chain C residue 2472 LEU Chi-restraints excluded: chain C residue 2742 THR Chi-restraints excluded: chain C residue 2752 ASP Chi-restraints excluded: chain C residue 2758 PHE Chi-restraints excluded: chain C residue 2761 TYR Chi-restraints excluded: chain C residue 2762 THR Chi-restraints excluded: chain C residue 2777 TYR Chi-restraints excluded: chain C residue 2779 GLU Chi-restraints excluded: chain C residue 2791 LEU Chi-restraints excluded: chain C residue 2806 ARG Chi-restraints excluded: chain C residue 2807 TRP Chi-restraints excluded: chain C residue 2809 ILE Chi-restraints excluded: chain C residue 2811 GLU Chi-restraints excluded: chain C residue 2812 SER Chi-restraints excluded: chain C residue 2869 ARG Chi-restraints excluded: chain C residue 2872 GLN Chi-restraints excluded: chain C residue 2882 TYR Chi-restraints excluded: chain C residue 2883 HIS Chi-restraints excluded: chain C residue 2884 ASN Chi-restraints excluded: chain C residue 2892 GLN Chi-restraints excluded: chain C residue 2894 LEU Chi-restraints excluded: chain C residue 2895 GLU Chi-restraints excluded: chain C residue 2901 THR Chi-restraints excluded: chain C residue 2906 VAL Chi-restraints excluded: chain C residue 2912 THR Chi-restraints excluded: chain C residue 2928 LYS Chi-restraints excluded: chain C residue 2932 MET Chi-restraints excluded: chain C residue 3641 LEU Chi-restraints excluded: chain C residue 3642 TYR Chi-restraints excluded: chain C residue 3643 ASN Chi-restraints excluded: chain C residue 3647 HIS Chi-restraints excluded: chain C residue 3648 ARG Chi-restraints excluded: chain C residue 3656 SER Chi-restraints excluded: chain C residue 3657 TYR Chi-restraints excluded: chain C residue 3658 LYS Chi-restraints excluded: chain C residue 3661 TRP Chi-restraints excluded: chain C residue 3663 LEU Chi-restraints excluded: chain C residue 3669 PHE Chi-restraints excluded: chain C residue 3671 ASP Chi-restraints excluded: chain C residue 3673 MET Chi-restraints excluded: chain C residue 3674 ILE Chi-restraints excluded: chain C residue 3678 SER Chi-restraints excluded: chain C residue 3696 ASP Chi-restraints excluded: chain C residue 3703 LEU Chi-restraints excluded: chain C residue 3706 SER Chi-restraints excluded: chain C residue 3708 THR Chi-restraints excluded: chain C residue 3710 LEU Chi-restraints excluded: chain C residue 3711 THR Chi-restraints excluded: chain C residue 3712 GLU Chi-restraints excluded: chain C residue 3727 ASP Chi-restraints excluded: chain C residue 3733 CYS Chi-restraints excluded: chain C residue 3751 VAL Chi-restraints excluded: chain C residue 3752 SER Chi-restraints excluded: chain C residue 3753 PHE Chi-restraints excluded: chain C residue 3761 GLN Chi-restraints excluded: chain C residue 3762 ARG Chi-restraints excluded: chain C residue 3764 LEU Chi-restraints excluded: chain C residue 3768 SER Chi-restraints excluded: chain C residue 3790 THR Chi-restraints excluded: chain C residue 3794 VAL Chi-restraints excluded: chain C residue 3795 SER Chi-restraints excluded: chain C residue 3798 LEU Chi-restraints excluded: chain C residue 3803 SER Chi-restraints excluded: chain C residue 3804 ILE Chi-restraints excluded: chain C residue 3805 LEU Chi-restraints excluded: chain C residue 3809 ASN Chi-restraints excluded: chain C residue 3822 ASP Chi-restraints excluded: chain C residue 3825 GLU Chi-restraints excluded: chain C residue 3830 GLN Chi-restraints excluded: chain C residue 3835 LEU Chi-restraints excluded: chain C residue 3836 MET Chi-restraints excluded: chain C residue 3838 THR Chi-restraints excluded: chain C residue 3842 LEU Chi-restraints excluded: chain C residue 3886 ARG Chi-restraints excluded: chain C residue 3890 LEU Chi-restraints excluded: chain C residue 3892 CYS Chi-restraints excluded: chain C residue 3899 PHE Chi-restraints excluded: chain C residue 3905 THR Chi-restraints excluded: chain C residue 3907 THR Chi-restraints excluded: chain C residue 3910 THR Chi-restraints excluded: chain C residue 3911 THR Chi-restraints excluded: chain C residue 3913 ILE Chi-restraints excluded: chain C residue 3919 THR Chi-restraints excluded: chain C residue 3920 VAL Chi-restraints excluded: chain C residue 3930 ILE Chi-restraints excluded: chain C residue 3938 SER Chi-restraints excluded: chain C residue 3952 SER Chi-restraints excluded: chain C residue 3964 SER Chi-restraints excluded: chain C residue 3966 THR Chi-restraints excluded: chain C residue 3973 CYS Chi-restraints excluded: chain C residue 3974 THR Chi-restraints excluded: chain C residue 3979 SER Chi-restraints excluded: chain C residue 3984 ARG Chi-restraints excluded: chain C residue 4001 MET Chi-restraints excluded: chain C residue 4021 LYS Chi-restraints excluded: chain C residue 4040 ILE Chi-restraints excluded: chain C residue 4052 SER Chi-restraints excluded: chain C residue 4053 SER Chi-restraints excluded: chain C residue 4054 ASN Chi-restraints excluded: chain C residue 4066 LEU Chi-restraints excluded: chain C residue 4071 ILE Chi-restraints excluded: chain C residue 4072 VAL Chi-restraints excluded: chain C residue 4074 SER Chi-restraints excluded: chain C residue 4078 GLN Chi-restraints excluded: chain C residue 4081 VAL 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 4092 ASP Chi-restraints excluded: chain C residue 4097 MET Chi-restraints excluded: chain C residue 4098 ASP Chi-restraints excluded: chain C residue 4100 GLN Chi-restraints excluded: chain C residue 4102 GLN Chi-restraints excluded: chain C residue 4104 THR Chi-restraints excluded: chain C residue 4108 ILE Chi-restraints excluded: chain C residue 4113 SER Chi-restraints excluded: chain C residue 4114 CYS Chi-restraints excluded: chain C residue 4116 GLU Chi-restraints excluded: chain C residue 4118 ASP Chi-restraints excluded: chain C residue 4119 GLU Chi-restraints excluded: chain C residue 4123 ILE Chi-restraints excluded: chain C residue 4127 GLU Chi-restraints excluded: chain C residue 4132 PHE Chi-restraints excluded: chain C residue 4142 ASN Chi-restraints excluded: chain C residue 4151 SER Chi-restraints excluded: chain C residue 4152 GLU Chi-restraints excluded: chain C residue 4157 ASP Chi-restraints excluded: chain C residue 4161 ARG Chi-restraints excluded: chain C residue 4166 LEU Chi-restraints excluded: chain C residue 4168 GLU Chi-restraints excluded: chain C residue 4170 ILE Chi-restraints excluded: chain C residue 4180 ARG Chi-restraints excluded: chain C residue 4182 GLU Chi-restraints excluded: chain C residue 4183 ILE Chi-restraints excluded: chain C residue 4187 SER Chi-restraints excluded: chain C residue 4190 ILE Chi-restraints excluded: chain C residue 4197 ILE Chi-restraints excluded: chain C residue 4199 GLU Chi-restraints excluded: chain C residue 4205 TRP Chi-restraints excluded: chain C residue 4213 SER Chi-restraints excluded: chain C residue 4217 PHE Chi-restraints excluded: chain C residue 4221 VAL Chi-restraints excluded: chain C residue 4241 THR Chi-restraints excluded: chain C residue 4246 GLN Chi-restraints excluded: chain C residue 4251 ILE Chi-restraints excluded: chain C residue 4549 VAL Chi-restraints excluded: chain C residue 4552 LEU Chi-restraints excluded: chain C residue 4553 ASN Chi-restraints excluded: chain C residue 4561 THR Chi-restraints excluded: chain C residue 4562 LEU Chi-restraints excluded: chain C residue 4569 LEU Chi-restraints excluded: chain C residue 4571 PHE Chi-restraints excluded: chain C residue 4573 ILE Chi-restraints excluded: chain C residue 4579 PHE Chi-restraints excluded: chain C residue 4580 TYR Chi-restraints excluded: chain C residue 4628 VAL Chi-restraints excluded: chain C residue 4631 PHE Chi-restraints excluded: chain C residue 4632 LEU Chi-restraints excluded: chain C residue 4639 MET Chi-restraints excluded: chain C residue 4643 LEU Chi-restraints excluded: chain C residue 4648 LEU Chi-restraints excluded: chain C residue 4651 THR Chi-restraints excluded: chain C residue 4655 PHE Chi-restraints excluded: chain C residue 4670 ILE Chi-restraints excluded: chain C residue 4676 GLU Chi-restraints excluded: chain C residue 4681 LEU Chi-restraints excluded: chain C residue 4688 ILE Chi-restraints excluded: chain C residue 4694 ASP Chi-restraints excluded: chain C residue 4695 ASP Chi-restraints excluded: chain C residue 4723 LYS Chi-restraints excluded: chain C residue 4724 VAL Chi-restraints excluded: chain C residue 4728 HIS Chi-restraints excluded: chain C residue 4736 ARG Chi-restraints excluded: chain C residue 4741 LEU Chi-restraints excluded: chain C residue 4743 MET Chi-restraints excluded: chain C residue 4744 ASP Chi-restraints excluded: chain C residue 4751 THR Chi-restraints excluded: chain C residue 4765 LEU Chi-restraints excluded: chain C residue 4768 LEU Chi-restraints excluded: chain C residue 4770 SER Chi-restraints excluded: chain C residue 4773 VAL Chi-restraints excluded: chain C residue 4782 VAL Chi-restraints excluded: chain C residue 4788 SER Chi-restraints excluded: chain C residue 4797 VAL Chi-restraints excluded: chain C residue 4799 SER Chi-restraints excluded: chain C residue 4804 TYR Chi-restraints excluded: chain C residue 4818 MET Chi-restraints excluded: chain C residue 4822 THR Chi-restraints excluded: chain C residue 4828 SER Chi-restraints excluded: chain C residue 4831 THR Chi-restraints excluded: chain C residue 4840 THR Chi-restraints excluded: chain C residue 4852 THR Chi-restraints excluded: chain C residue 4856 PHE Chi-restraints excluded: chain C residue 4858 PHE Chi-restraints excluded: chain C residue 4861 LYS Chi-restraints excluded: chain C residue 4868 ASP Chi-restraints excluded: chain C residue 4870 ASP Chi-restraints excluded: chain C residue 4873 ASP Chi-restraints excluded: chain C residue 4879 MET Chi-restraints excluded: chain C residue 4881 THR Chi-restraints excluded: chain C residue 4884 LEU Chi-restraints excluded: chain C residue 4887 MET Chi-restraints excluded: chain C residue 4888 TYR Chi-restraints excluded: chain C residue 4891 VAL Chi-restraints excluded: chain C residue 4892 ARG Chi-restraints excluded: chain C residue 4910 GLU Chi-restraints excluded: chain C residue 4913 ARG Chi-restraints excluded: chain C residue 4915 VAL Chi-restraints excluded: chain C residue 4916 PHE Chi-restraints excluded: chain C residue 4917 ASP Chi-restraints excluded: chain C residue 4919 THR Chi-restraints excluded: chain C residue 4925 ILE Chi-restraints excluded: chain C residue 4928 LEU Chi-restraints excluded: chain C residue 4937 ILE Chi-restraints excluded: chain C residue 4938 ASP Chi-restraints excluded: chain C residue 4943 LEU Chi-restraints excluded: chain C residue 4947 GLN Chi-restraints excluded: chain C residue 4950 VAL Chi-restraints excluded: chain C residue 4952 GLU Chi-restraints excluded: chain C residue 4953 ASP 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 4963 ILE Chi-restraints excluded: chain C residue 4965 SER Chi-restraints excluded: chain C residue 4967 TYR Chi-restraints excluded: chain C residue 4970 THR Chi-restraints excluded: chain C residue 4971 THR Chi-restraints excluded: chain C residue 4977 THR Chi-restraints excluded: chain C residue 4979 THR Chi-restraints excluded: chain C residue 4983 HIS Chi-restraints excluded: chain C residue 4985 LEU Chi-restraints excluded: chain C residue 4989 MET Chi-restraints excluded: chain C residue 4997 ASN Chi-restraints excluded: chain C residue 5001 THR Chi-restraints excluded: chain C residue 5008 SER Chi-restraints excluded: chain C residue 5016 GLU Chi-restraints excluded: chain C residue 5018 CYS Chi-restraints excluded: chain C residue 5020 ASP Chi-restraints excluded: chain C residue 5021 PHE Chi-restraints excluded: chain C residue 5030 LYS Chi-restraints excluded: chain C residue 5034 ASP Chi-restraints excluded: chain C residue 5036 LEU Chi-restraints excluded: chain C residue 5037 SER Chi-restraints excluded: chain D residue 17 ASP Chi-restraints excluded: chain D residue 20 VAL Chi-restraints excluded: chain D residue 21 VAL Chi-restraints excluded: chain D residue 24 CYS Chi-restraints excluded: chain D residue 28 VAL Chi-restraints excluded: chain D residue 37 LEU Chi-restraints excluded: chain D residue 49 LEU Chi-restraints excluded: chain D residue 50 GLU Chi-restraints excluded: chain D residue 57 ASN Chi-restraints excluded: chain D residue 58 VAL Chi-restraints excluded: chain D residue 64 ILE Chi-restraints excluded: chain D residue 68 THR Chi-restraints excluded: chain D residue 69 LEU Chi-restraints excluded: chain D residue 74 SER Chi-restraints excluded: chain D residue 75 VAL Chi-restraints excluded: chain D residue 80 GLU Chi-restraints excluded: chain D residue 81 MET Chi-restraints excluded: chain D residue 82 LEU Chi-restraints excluded: chain D residue 107 ILE Chi-restraints excluded: chain D residue 109 LEU Chi-restraints excluded: chain D residue 114 SER Chi-restraints excluded: chain D residue 119 SER Chi-restraints excluded: chain D residue 124 SER Chi-restraints excluded: chain D residue 131 LEU Chi-restraints excluded: chain D residue 138 GLN Chi-restraints excluded: chain D residue 144 GLU Chi-restraints excluded: chain D residue 149 THR Chi-restraints excluded: chain D residue 150 MET Chi-restraints excluded: chain D residue 151 HIS Chi-restraints excluded: chain D residue 154 SER Chi-restraints excluded: chain D residue 157 ARG Chi-restraints excluded: chain D residue 159 GLU Chi-restraints excluded: chain D residue 161 GLU Chi-restraints excluded: chain D residue 162 LYS Chi-restraints excluded: chain D residue 163 VAL Chi-restraints excluded: chain D residue 164 ARG Chi-restraints excluded: chain D residue 165 VAL Chi-restraints excluded: chain D residue 167 ASP Chi-restraints excluded: chain D residue 170 ILE Chi-restraints excluded: chain D residue 173 SER Chi-restraints excluded: chain D residue 174 VAL Chi-restraints excluded: chain D residue 177 GLU Chi-restraints excluded: chain D residue 192 ASP Chi-restraints excluded: chain D residue 194 SER Chi-restraints excluded: chain D residue 206 CYS Chi-restraints excluded: chain D residue 210 GLU Chi-restraints excluded: chain D residue 211 GLU Chi-restraints excluded: chain D residue 215 THR Chi-restraints excluded: chain D residue 219 VAL Chi-restraints excluded: chain D residue 222 LEU Chi-restraints excluded: chain D residue 226 HIS Chi-restraints excluded: chain D residue 229 GLU Chi-restraints excluded: chain D residue 232 THR Chi-restraints excluded: chain D residue 240 ASP Chi-restraints excluded: chain D residue 243 ARG Chi-restraints excluded: chain D residue 248 GLU Chi-restraints excluded: chain D residue 258 SER Chi-restraints excluded: chain D residue 260 TRP Chi-restraints excluded: chain D residue 261 ARG Chi-restraints excluded: chain D residue 262 LEU Chi-restraints excluded: chain D residue 267 ILE Chi-restraints excluded: chain D residue 268 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 287 THR Chi-restraints excluded: chain D residue 299 LEU Chi-restraints excluded: chain D residue 300 VAL Chi-restraints excluded: chain D residue 302 VAL Chi-restraints excluded: chain D residue 303 ASP Chi-restraints excluded: chain D residue 306 LYS Chi-restraints excluded: chain D residue 312 THR Chi-restraints excluded: chain D residue 313 SER Chi-restraints excluded: chain D residue 318 VAL Chi-restraints excluded: chain D residue 343 GLU Chi-restraints excluded: chain D residue 345 LEU Chi-restraints excluded: chain D residue 348 VAL Chi-restraints excluded: chain D residue 357 LEU Chi-restraints excluded: chain D residue 359 TYR Chi-restraints excluded: chain D residue 373 LYS Chi-restraints excluded: chain D residue 381 GLU Chi-restraints excluded: chain D residue 384 MET Chi-restraints excluded: chain D residue 389 PHE Chi-restraints excluded: chain D residue 390 LEU Chi-restraints excluded: chain D residue 396 GLU Chi-restraints excluded: chain D residue 398 SER Chi-restraints excluded: chain D residue 407 THR Chi-restraints excluded: chain D residue 419 ASP Chi-restraints excluded: chain D residue 420 SER Chi-restraints excluded: chain D residue 422 SER Chi-restraints excluded: chain D residue 424 LYS Chi-restraints excluded: chain D residue 436 LEU Chi-restraints excluded: chain D residue 444 SER Chi-restraints excluded: chain D residue 453 GLU Chi-restraints excluded: chain D residue 455 PRO Chi-restraints excluded: chain D residue 456 SER Chi-restraints excluded: chain D residue 457 GLU Chi-restraints excluded: chain D residue 459 LEU Chi-restraints excluded: chain D residue 469 ARG Chi-restraints excluded: chain D residue 470 SER Chi-restraints excluded: chain D residue 472 ARG Chi-restraints excluded: chain D residue 477 LEU Chi-restraints excluded: chain D residue 478 PHE Chi-restraints excluded: chain D residue 487 VAL Chi-restraints excluded: chain D residue 488 LEU Chi-restraints excluded: chain D residue 494 LEU Chi-restraints excluded: chain D residue 497 TYR Chi-restraints excluded: chain D residue 498 THR Chi-restraints excluded: chain D residue 499 THR Chi-restraints excluded: chain D residue 503 PHE Chi-restraints excluded: chain D residue 510 GLU Chi-restraints excluded: chain D residue 514 SER Chi-restraints excluded: chain D residue 520 ASN Chi-restraints excluded: chain D residue 521 LEU Chi-restraints excluded: chain D residue 526 LEU Chi-restraints excluded: chain D residue 534 ARG Chi-restraints excluded: chain D residue 536 ASN Chi-restraints excluded: chain D residue 537 CYS Chi-restraints excluded: chain D residue 542 THR Chi-restraints excluded: chain D residue 545 ASP Chi-restraints excluded: chain D residue 549 SER Chi-restraints excluded: chain D residue 553 ARG Chi-restraints excluded: chain D residue 554 LEU Chi-restraints excluded: chain D residue 557 SER Chi-restraints excluded: chain D residue 566 CYS Chi-restraints excluded: chain D residue 569 ILE Chi-restraints excluded: chain D residue 570 GLU Chi-restraints excluded: chain D residue 573 GLU Chi-restraints excluded: chain D residue 578 ILE Chi-restraints excluded: chain D residue 581 ASN Chi-restraints excluded: chain D residue 587 ILE Chi-restraints excluded: chain D residue 600 LEU Chi-restraints excluded: chain D residue 608 VAL Chi-restraints excluded: chain D residue 614 VAL Chi-restraints excluded: chain D residue 616 SER Chi-restraints excluded: chain D residue 622 THR Chi-restraints excluded: chain D residue 624 ASN Chi-restraints excluded: chain D residue 629 ARG Chi-restraints excluded: chain D residue 634 GLN Chi-restraints excluded: chain D residue 637 LEU Chi-restraints excluded: chain D residue 641 VAL Chi-restraints excluded: chain D residue 643 SER Chi-restraints excluded: chain D residue 648 ILE Chi-restraints excluded: chain D residue 650 VAL Chi-restraints excluded: chain D residue 659 TYR Chi-restraints excluded: chain D residue 662 TRP Chi-restraints excluded: chain D residue 663 TYR Chi-restraints excluded: chain D residue 668 VAL Chi-restraints excluded: chain D residue 669 ASP Chi-restraints excluded: chain D residue 671 VAL Chi-restraints excluded: chain D residue 675 LEU Chi-restraints excluded: chain D residue 680 THR Chi-restraints excluded: chain D residue 683 ARG Chi-restraints excluded: chain D residue 684 VAL Chi-restraints excluded: chain D residue 692 TYR Chi-restraints excluded: chain D residue 700 GLU Chi-restraints excluded: chain D residue 707 VAL Chi-restraints excluded: chain D residue 710 ASP Chi-restraints excluded: chain D residue 716 PHE Chi-restraints excluded: chain D residue 719 LEU Chi-restraints excluded: chain D residue 720 HIS Chi-restraints excluded: chain D residue 726 VAL Chi-restraints excluded: chain D residue 730 VAL Chi-restraints excluded: chain D residue 737 LEU Chi-restraints excluded: chain D residue 744 VAL Chi-restraints excluded: chain D residue 749 ASP Chi-restraints excluded: chain D residue 751 SER Chi-restraints excluded: chain D residue 752 VAL Chi-restraints excluded: chain D residue 754 SER Chi-restraints excluded: chain D residue 758 ARG Chi-restraints excluded: chain D residue 776 LEU Chi-restraints excluded: chain D residue 780 VAL Chi-restraints excluded: chain D residue 784 SER Chi-restraints excluded: chain D residue 787 VAL Chi-restraints excluded: chain D residue 788 LYS Chi-restraints excluded: chain D residue 791 PHE Chi-restraints excluded: chain D residue 793 LEU Chi-restraints excluded: chain D residue 800 PHE Chi-restraints excluded: chain D residue 803 LEU Chi-restraints excluded: chain D residue 812 HIS Chi-restraints excluded: chain D residue 818 ARG Chi-restraints excluded: chain D residue 835 ARG Chi-restraints excluded: chain D residue 840 VAL Chi-restraints excluded: chain D residue 850 ASP Chi-restraints excluded: chain D residue 867 LEU Chi-restraints excluded: chain D residue 868 GLU Chi-restraints excluded: chain D residue 869 ARG Chi-restraints excluded: chain D residue 870 ILE Chi-restraints excluded: chain D residue 887 ILE Chi-restraints excluded: chain D residue 891 TRP Chi-restraints excluded: chain D residue 893 TYR Chi-restraints excluded: chain D residue 907 LEU Chi-restraints excluded: chain D residue 927 GLU Chi-restraints excluded: chain D residue 939 VAL Chi-restraints excluded: chain D residue 974 HIS Chi-restraints excluded: chain D residue 978 THR Chi-restraints excluded: chain D residue 1034 SER Chi-restraints excluded: chain D residue 1036 ARG Chi-restraints excluded: chain D residue 1037 ASP Chi-restraints excluded: chain D residue 1044 ARG Chi-restraints excluded: chain D residue 1046 LEU Chi-restraints excluded: chain D residue 1079 LYS Chi-restraints excluded: chain D residue 1080 SER Chi-restraints excluded: chain D residue 1082 THR Chi-restraints excluded: chain D residue 1083 VAL Chi-restraints excluded: chain D residue 1099 GLU Chi-restraints excluded: chain D residue 1102 VAL Chi-restraints excluded: chain D residue 1110 ARG Chi-restraints excluded: chain D residue 1112 ASP Chi-restraints excluded: chain D residue 1113 VAL Chi-restraints excluded: chain D residue 1120 LEU Chi-restraints excluded: chain D residue 1123 VAL Chi-restraints excluded: chain D residue 1133 HIS Chi-restraints excluded: chain D residue 1134 LEU Chi-restraints excluded: chain D residue 1139 PHE Chi-restraints excluded: chain D residue 1141 ARG Chi-restraints excluded: chain D residue 1148 VAL Chi-restraints excluded: chain D residue 1149 VAL 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 1159 THR Chi-restraints excluded: chain D residue 1164 LEU Chi-restraints excluded: chain D residue 1179 PHE Chi-restraints excluded: chain D residue 1184 ILE Chi-restraints excluded: chain D residue 1191 VAL Chi-restraints excluded: chain D residue 1193 SER Chi-restraints excluded: chain D residue 1198 GLN Chi-restraints excluded: chain D residue 1201 HIS 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 1210 SER Chi-restraints excluded: chain D residue 1214 PHE Chi-restraints excluded: chain D residue 1230 MET Chi-restraints excluded: chain D residue 1232 ARG Chi-restraints excluded: chain D residue 1234 VAL Chi-restraints excluded: chain D residue 1238 PHE Chi-restraints excluded: chain D residue 1239 SER Chi-restraints excluded: chain D residue 1241 SER Chi-restraints excluded: chain D residue 1242 LEU Chi-restraints excluded: chain D residue 1255 TYR Chi-restraints excluded: chain D residue 1260 MET Chi-restraints excluded: chain D residue 1266 THR Chi-restraints excluded: chain D residue 1574 PRO 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 1608 MET Chi-restraints excluded: chain D residue 1612 PHE Chi-restraints excluded: chain D residue 1630 CYS Chi-restraints excluded: chain D residue 1635 THR Chi-restraints excluded: chain D residue 1637 MET Chi-restraints excluded: chain D residue 1639 LEU Chi-restraints excluded: chain D residue 1647 CYS Chi-restraints excluded: chain D residue 1648 MET Chi-restraints excluded: chain D residue 1652 GLU Chi-restraints excluded: chain D residue 1653 LEU Chi-restraints excluded: chain D residue 1654 SER Chi-restraints excluded: chain D residue 1655 GLU Chi-restraints excluded: chain D residue 1657 LEU Chi-restraints excluded: chain D residue 1664 SER Chi-restraints excluded: chain D residue 1666 THR Chi-restraints excluded: chain D residue 1671 ARG Chi-restraints excluded: chain D residue 1681 VAL Chi-restraints excluded: chain D residue 1687 SER Chi-restraints excluded: chain D residue 1693 GLN Chi-restraints excluded: chain D residue 1695 LEU Chi-restraints excluded: chain D residue 1700 ASP Chi-restraints excluded: chain D residue 1702 HIS Chi-restraints excluded: chain D residue 1706 PRO Chi-restraints excluded: chain D residue 1714 LEU Chi-restraints excluded: chain D residue 1716 ILE Chi-restraints excluded: chain D residue 1717 SER Chi-restraints excluded: chain D residue 1720 LEU Chi-restraints excluded: chain D residue 1721 GLU Chi-restraints excluded: chain D residue 1724 CYS Chi-restraints excluded: chain D residue 1727 ARG Chi-restraints excluded: chain D residue 1730 MET Chi-restraints excluded: chain D residue 1731 LEU Chi-restraints excluded: chain D residue 1733 GLU Chi-restraints excluded: chain D residue 1736 VAL Chi-restraints excluded: chain D residue 1742 THR Chi-restraints excluded: chain D residue 1745 ILE Chi-restraints excluded: chain D residue 1765 VAL Chi-restraints excluded: chain D residue 1769 THR Chi-restraints excluded: chain D residue 1770 SER Chi-restraints excluded: chain D residue 1771 LEU Chi-restraints excluded: chain D residue 1778 SER Chi-restraints excluded: chain D residue 1781 CYS Chi-restraints excluded: chain D residue 1802 ILE Chi-restraints excluded: chain D residue 1808 ARG Chi-restraints excluded: chain D residue 1813 ARG Chi-restraints excluded: chain D residue 1817 GLU Chi-restraints excluded: chain D residue 1830 VAL Chi-restraints excluded: chain D residue 1833 SER Chi-restraints excluded: chain D residue 1834 VAL Chi-restraints excluded: chain D residue 1845 VAL Chi-restraints excluded: chain D residue 1847 THR Chi-restraints excluded: chain D residue 1850 VAL Chi-restraints excluded: chain D residue 1862 ILE Chi-restraints excluded: chain D residue 1934 SER Chi-restraints excluded: chain D residue 1935 VAL Chi-restraints excluded: chain D residue 1947 CYS Chi-restraints excluded: chain D residue 1950 GLU Chi-restraints excluded: chain D residue 1953 HIS Chi-restraints excluded: chain D residue 1955 VAL Chi-restraints excluded: chain D residue 1963 GLU Chi-restraints excluded: chain D residue 1965 TYR Chi-restraints excluded: chain D residue 1969 LEU Chi-restraints excluded: chain D residue 1973 GLN Chi-restraints excluded: chain D residue 1980 LEU Chi-restraints excluded: chain D residue 2006 ILE Chi-restraints excluded: chain D residue 2010 LEU Chi-restraints excluded: chain D residue 2011 HIS Chi-restraints excluded: chain D residue 2027 ILE Chi-restraints excluded: chain D residue 2031 LEU Chi-restraints excluded: chain D residue 2032 GLN Chi-restraints excluded: chain D residue 2039 LEU Chi-restraints excluded: chain D residue 2041 HIS Chi-restraints excluded: chain D residue 2097 LEU Chi-restraints excluded: chain D residue 2098 VAL Chi-restraints excluded: chain D residue 2099 SER Chi-restraints excluded: chain D residue 2103 VAL Chi-restraints excluded: chain D residue 2117 VAL Chi-restraints excluded: chain D residue 2122 SER Chi-restraints excluded: chain D residue 2126 ARG Chi-restraints excluded: chain D residue 2128 TYR Chi-restraints excluded: chain D residue 2140 ARG Chi-restraints excluded: chain D residue 2148 SER Chi-restraints excluded: chain D residue 2152 THR Chi-restraints excluded: chain D residue 2162 ILE Chi-restraints excluded: chain D residue 2164 SER Chi-restraints excluded: chain D residue 2165 LEU Chi-restraints excluded: chain D residue 2166 LEU Chi-restraints excluded: chain D residue 2167 ILE Chi-restraints excluded: chain D residue 2170 MET Chi-restraints excluded: chain D residue 2172 PRO Chi-restraints excluded: chain D residue 2187 ASN Chi-restraints excluded: chain D residue 2191 PHE Chi-restraints excluded: chain D residue 2192 TYR Chi-restraints excluded: chain D residue 2194 HIS Chi-restraints excluded: chain D residue 2198 MET Chi-restraints excluded: chain D residue 2203 MET Chi-restraints excluded: chain D residue 2210 VAL Chi-restraints excluded: chain D residue 2215 LEU Chi-restraints excluded: chain D residue 2223 ILE Chi-restraints excluded: chain D residue 2229 VAL Chi-restraints excluded: chain D residue 2240 CYS Chi-restraints excluded: chain D residue 2243 SER Chi-restraints excluded: chain D residue 2245 GLN Chi-restraints excluded: chain D residue 2246 ASN Chi-restraints excluded: chain D residue 2249 SER Chi-restraints excluded: chain D residue 2253 HIS Chi-restraints excluded: chain D residue 2273 LEU Chi-restraints excluded: chain D residue 2274 ASP Chi-restraints excluded: chain D residue 2275 VAL Chi-restraints excluded: chain D residue 2279 SER Chi-restraints excluded: chain D residue 2281 ILE Chi-restraints excluded: chain D residue 2286 LEU Chi-restraints excluded: chain D residue 2290 LEU Chi-restraints excluded: chain D residue 2291 GLN Chi-restraints excluded: chain D residue 2292 GLU Chi-restraints excluded: chain D residue 2299 VAL Chi-restraints excluded: chain D residue 2300 SER Chi-restraints excluded: chain D residue 2301 TYR Chi-restraints excluded: chain D residue 2302 LEU Chi-restraints excluded: chain D residue 2319 PRO Chi-restraints excluded: chain D residue 2336 ARG Chi-restraints excluded: chain D residue 2339 VAL Chi-restraints excluded: chain D residue 2341 VAL Chi-restraints excluded: chain D residue 2342 ASN Chi-restraints excluded: chain D residue 2358 ILE Chi-restraints excluded: chain D residue 2364 PHE Chi-restraints excluded: chain D residue 2418 LEU Chi-restraints excluded: chain D residue 2420 HIS Chi-restraints excluded: chain D residue 2438 PRO Chi-restraints excluded: chain D residue 2442 LEU Chi-restraints excluded: chain D residue 2443 ILE Chi-restraints excluded: chain D residue 2449 GLU Chi-restraints excluded: chain D residue 2451 LEU Chi-restraints excluded: chain D residue 2456 ILE Chi-restraints excluded: chain D residue 2457 LEU Chi-restraints excluded: chain D residue 2458 ARG Chi-restraints excluded: chain D residue 2460 LEU Chi-restraints excluded: chain D residue 2470 ILE Chi-restraints excluded: chain D residue 2472 LEU Chi-restraints excluded: chain D residue 2742 THR Chi-restraints excluded: chain D residue 2752 ASP Chi-restraints excluded: chain D residue 2758 PHE Chi-restraints excluded: chain D residue 2761 TYR Chi-restraints excluded: chain D residue 2762 THR Chi-restraints excluded: chain D residue 2777 TYR Chi-restraints excluded: chain D residue 2779 GLU Chi-restraints excluded: chain D residue 2791 LEU Chi-restraints excluded: chain D residue 2799 GLU Chi-restraints excluded: chain D residue 2806 ARG Chi-restraints excluded: chain D residue 2807 TRP Chi-restraints excluded: chain D residue 2812 SER Chi-restraints excluded: chain D residue 2869 ARG Chi-restraints excluded: chain D residue 2876 GLU Chi-restraints excluded: chain D residue 2878 LEU Chi-restraints excluded: chain D residue 2882 TYR Chi-restraints excluded: chain D residue 2883 HIS Chi-restraints excluded: chain D residue 2892 GLN Chi-restraints excluded: chain D residue 2894 LEU Chi-restraints excluded: chain D residue 2895 GLU Chi-restraints excluded: chain D residue 2901 THR Chi-restraints excluded: chain D residue 2912 THR Chi-restraints excluded: chain D residue 2932 MET Chi-restraints excluded: chain D residue 3641 LEU Chi-restraints excluded: chain D residue 3642 TYR Chi-restraints excluded: chain D residue 3643 ASN Chi-restraints excluded: chain D residue 3647 HIS Chi-restraints excluded: chain D residue 3648 ARG Chi-restraints excluded: chain D residue 3656 SER Chi-restraints excluded: chain D residue 3657 TYR Chi-restraints excluded: chain D residue 3658 LYS Chi-restraints excluded: chain D residue 3661 TRP Chi-restraints excluded: chain D residue 3663 LEU Chi-restraints excluded: chain D residue 3669 PHE Chi-restraints excluded: chain D residue 3671 ASP Chi-restraints excluded: chain D residue 3673 MET Chi-restraints excluded: chain D residue 3674 ILE Chi-restraints excluded: chain D residue 3678 SER Chi-restraints excluded: chain D residue 3696 ASP Chi-restraints excluded: chain D residue 3703 LEU Chi-restraints excluded: chain D residue 3706 SER Chi-restraints excluded: chain D residue 3708 THR Chi-restraints excluded: chain D residue 3710 LEU Chi-restraints excluded: chain D residue 3711 THR Chi-restraints excluded: chain D residue 3712 GLU Chi-restraints excluded: chain D residue 3727 ASP Chi-restraints excluded: chain D residue 3733 CYS Chi-restraints excluded: chain D residue 3751 VAL Chi-restraints excluded: chain D residue 3752 SER Chi-restraints excluded: chain D residue 3753 PHE Chi-restraints excluded: chain D residue 3761 GLN Chi-restraints excluded: chain D residue 3762 ARG Chi-restraints excluded: chain D residue 3764 LEU Chi-restraints excluded: chain D residue 3768 SER Chi-restraints excluded: chain D residue 3783 ILE Chi-restraints excluded: chain D residue 3790 THR Chi-restraints excluded: chain D residue 3794 VAL Chi-restraints excluded: chain D residue 3795 SER Chi-restraints excluded: chain D residue 3803 SER Chi-restraints excluded: chain D residue 3804 ILE Chi-restraints excluded: chain D residue 3805 LEU Chi-restraints excluded: chain D residue 3809 ASN Chi-restraints excluded: chain D residue 3822 ASP Chi-restraints excluded: chain D residue 3825 GLU Chi-restraints excluded: chain D residue 3830 GLN Chi-restraints excluded: chain D residue 3835 LEU Chi-restraints excluded: chain D residue 3836 MET Chi-restraints excluded: chain D residue 3838 THR Chi-restraints excluded: chain D residue 3842 LEU Chi-restraints excluded: chain D residue 3886 ARG Chi-restraints excluded: chain D residue 3890 LEU Chi-restraints excluded: chain D residue 3892 CYS Chi-restraints excluded: chain D residue 3893 GLU Chi-restraints excluded: chain D residue 3899 PHE Chi-restraints excluded: chain D residue 3905 THR Chi-restraints excluded: chain D residue 3907 THR Chi-restraints excluded: chain D residue 3910 THR Chi-restraints excluded: chain D residue 3911 THR Chi-restraints excluded: chain D residue 3913 ILE Chi-restraints excluded: chain D residue 3919 THR Chi-restraints excluded: chain D residue 3920 VAL Chi-restraints excluded: chain D residue 3930 ILE Chi-restraints excluded: chain D residue 3938 SER Chi-restraints excluded: chain D residue 3952 SER Chi-restraints excluded: chain D residue 3964 SER Chi-restraints excluded: chain D residue 3966 THR Chi-restraints excluded: chain D residue 3973 CYS Chi-restraints excluded: chain D residue 3974 THR Chi-restraints excluded: chain D residue 3979 SER Chi-restraints excluded: chain D residue 3984 ARG Chi-restraints excluded: chain D residue 4001 MET Chi-restraints excluded: chain D residue 4021 LYS Chi-restraints excluded: chain D residue 4035 VAL Chi-restraints excluded: chain D residue 4040 ILE Chi-restraints excluded: chain D residue 4045 VAL Chi-restraints excluded: chain D residue 4052 SER Chi-restraints excluded: chain D residue 4053 SER Chi-restraints excluded: chain D residue 4054 ASN Chi-restraints excluded: chain D residue 4066 LEU Chi-restraints excluded: chain D residue 4071 ILE Chi-restraints excluded: chain D residue 4072 VAL Chi-restraints excluded: chain D residue 4074 SER Chi-restraints excluded: chain D residue 4081 VAL 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 4092 ASP Chi-restraints excluded: chain D residue 4097 MET Chi-restraints excluded: chain D residue 4098 ASP Chi-restraints excluded: chain D residue 4100 GLN Chi-restraints excluded: chain D residue 4102 GLN Chi-restraints excluded: chain D residue 4104 THR Chi-restraints excluded: chain D residue 4108 ILE Chi-restraints excluded: chain D residue 4113 SER Chi-restraints excluded: chain D residue 4114 CYS Chi-restraints excluded: chain D residue 4115 SER Chi-restraints excluded: chain D residue 4116 GLU Chi-restraints excluded: chain D residue 4118 ASP Chi-restraints excluded: chain D residue 4123 ILE Chi-restraints excluded: chain D residue 4127 GLU Chi-restraints excluded: chain D residue 4132 PHE Chi-restraints excluded: chain D residue 4142 ASN Chi-restraints excluded: chain D residue 4151 SER Chi-restraints excluded: chain D residue 4152 GLU Chi-restraints excluded: chain D residue 4161 ARG Chi-restraints excluded: chain D residue 4166 LEU Chi-restraints excluded: chain D residue 4168 GLU Chi-restraints excluded: chain D residue 4170 ILE Chi-restraints excluded: chain D residue 4180 ARG Chi-restraints excluded: chain D residue 4182 GLU Chi-restraints excluded: chain D residue 4183 ILE Chi-restraints excluded: chain D residue 4187 SER Chi-restraints excluded: chain D residue 4190 ILE Chi-restraints excluded: chain D residue 4196 GLU Chi-restraints excluded: chain D residue 4197 ILE Chi-restraints excluded: chain D residue 4199 GLU Chi-restraints excluded: chain D residue 4205 TRP Chi-restraints excluded: chain D residue 4213 SER Chi-restraints excluded: chain D residue 4217 PHE Chi-restraints excluded: chain D residue 4221 VAL Chi-restraints excluded: chain D residue 4241 THR Chi-restraints excluded: chain D residue 4246 GLN Chi-restraints excluded: chain D residue 4251 ILE Chi-restraints excluded: chain D residue 4549 VAL Chi-restraints excluded: chain D residue 4552 LEU Chi-restraints excluded: chain D residue 4553 ASN Chi-restraints excluded: chain D residue 4561 THR Chi-restraints excluded: chain D residue 4562 LEU Chi-restraints excluded: chain D residue 4563 ARG Chi-restraints excluded: chain D residue 4569 LEU Chi-restraints excluded: chain D residue 4571 PHE Chi-restraints excluded: chain D residue 4573 ILE Chi-restraints excluded: chain D residue 4580 TYR Chi-restraints excluded: chain D residue 4628 VAL Chi-restraints excluded: chain D residue 4631 PHE Chi-restraints excluded: chain D residue 4632 LEU Chi-restraints excluded: chain D residue 4639 MET Chi-restraints excluded: chain D residue 4643 LEU Chi-restraints excluded: chain D residue 4648 LEU Chi-restraints excluded: chain D residue 4651 THR Chi-restraints excluded: chain D residue 4658 ILE Chi-restraints excluded: chain D residue 4670 ILE Chi-restraints excluded: chain D residue 4676 GLU Chi-restraints excluded: chain D residue 4682 GLU Chi-restraints excluded: chain D residue 4688 ILE Chi-restraints excluded: chain D residue 4695 ASP Chi-restraints excluded: chain D residue 4698 LYS Chi-restraints excluded: chain D residue 4723 LYS Chi-restraints excluded: chain D residue 4724 VAL Chi-restraints excluded: chain D residue 4728 HIS Chi-restraints excluded: chain D residue 4736 ARG Chi-restraints excluded: chain D residue 4741 LEU Chi-restraints excluded: chain D residue 4743 MET Chi-restraints excluded: chain D residue 4744 ASP Chi-restraints excluded: chain D residue 4751 THR Chi-restraints excluded: chain D residue 4765 LEU Chi-restraints excluded: chain D residue 4768 LEU Chi-restraints excluded: chain D residue 4770 SER Chi-restraints excluded: chain D residue 4773 VAL Chi-restraints excluded: chain D residue 4782 VAL Chi-restraints excluded: chain D residue 4788 SER Chi-restraints excluded: chain D residue 4796 MET Chi-restraints excluded: chain D residue 4797 VAL Chi-restraints excluded: chain D residue 4799 SER Chi-restraints excluded: chain D residue 4804 TYR Chi-restraints excluded: chain D residue 4816 ILE Chi-restraints excluded: chain D residue 4818 MET Chi-restraints excluded: chain D residue 4822 THR Chi-restraints excluded: chain D residue 4827 LEU Chi-restraints excluded: chain D residue 4828 SER Chi-restraints excluded: chain D residue 4831 THR Chi-restraints excluded: chain D residue 4840 THR Chi-restraints excluded: chain D residue 4852 THR Chi-restraints excluded: chain D residue 4856 PHE Chi-restraints excluded: chain D residue 4858 PHE Chi-restraints excluded: chain D residue 4860 ARG Chi-restraints excluded: chain D residue 4861 LYS Chi-restraints excluded: chain D residue 4868 ASP Chi-restraints excluded: chain D residue 4870 ASP Chi-restraints excluded: chain D residue 4873 ASP Chi-restraints excluded: chain D residue 4876 CYS Chi-restraints excluded: chain D residue 4879 MET Chi-restraints excluded: chain D residue 4881 THR Chi-restraints excluded: chain D residue 4884 LEU Chi-restraints excluded: chain D residue 4887 MET Chi-restraints excluded: chain D residue 4888 TYR Chi-restraints excluded: chain D residue 4891 VAL Chi-restraints excluded: chain D residue 4910 GLU Chi-restraints excluded: chain D residue 4915 VAL Chi-restraints excluded: chain D residue 4916 PHE Chi-restraints excluded: chain D residue 4917 ASP Chi-restraints excluded: chain D residue 4919 THR Chi-restraints excluded: chain D residue 4925 ILE Chi-restraints excluded: chain D residue 4928 LEU Chi-restraints excluded: chain D residue 4937 ILE Chi-restraints excluded: chain D residue 4938 ASP Chi-restraints excluded: chain D residue 4947 GLN Chi-restraints excluded: chain D residue 4950 VAL Chi-restraints excluded: chain D residue 4952 GLU Chi-restraints excluded: chain D residue 4953 ASP Chi-restraints excluded: chain D residue 4957 LYS Chi-restraints excluded: chain D residue 4961 CYS Chi-restraints excluded: chain D residue 4963 ILE Chi-restraints excluded: chain D residue 4965 SER Chi-restraints excluded: chain D residue 4967 TYR Chi-restraints excluded: chain D residue 4970 THR Chi-restraints excluded: chain D residue 4977 THR Chi-restraints excluded: chain D residue 4979 THR Chi-restraints excluded: chain D residue 4983 HIS Chi-restraints excluded: chain D residue 4985 LEU Chi-restraints excluded: chain D residue 4989 MET Chi-restraints excluded: chain D residue 4997 ASN Chi-restraints excluded: chain D residue 5001 THR Chi-restraints excluded: chain D residue 5008 SER Chi-restraints excluded: chain D residue 5016 GLU Chi-restraints excluded: chain D residue 5018 CYS Chi-restraints excluded: chain D residue 5020 ASP Chi-restraints excluded: chain D residue 5021 PHE Chi-restraints excluded: chain D residue 5030 LYS Chi-restraints excluded: chain D residue 5034 ASP Chi-restraints excluded: chain D residue 5036 LEU Chi-restraints excluded: chain D residue 5037 SER Chi-restraints excluded: chain B residue 13 PHE Chi-restraints excluded: chain B residue 15 ARG Chi-restraints excluded: chain B residue 17 ASP Chi-restraints excluded: chain B residue 20 VAL Chi-restraints excluded: chain B residue 21 VAL Chi-restraints excluded: chain B residue 24 CYS Chi-restraints excluded: chain B residue 28 VAL Chi-restraints excluded: chain B residue 37 LEU Chi-restraints excluded: chain B residue 49 LEU Chi-restraints excluded: chain B residue 50 GLU Chi-restraints excluded: chain B residue 57 ASN Chi-restraints excluded: chain B residue 58 VAL Chi-restraints excluded: chain B residue 64 ILE Chi-restraints excluded: chain B residue 68 THR Chi-restraints excluded: chain B residue 74 SER Chi-restraints excluded: chain B residue 75 VAL Chi-restraints excluded: chain B residue 80 GLU Chi-restraints excluded: chain B residue 81 MET Chi-restraints excluded: chain B residue 82 LEU Chi-restraints excluded: chain B residue 98 HIS Chi-restraints excluded: chain B residue 107 ILE Chi-restraints excluded: chain B residue 114 SER Chi-restraints excluded: chain B residue 119 SER Chi-restraints excluded: chain B residue 131 LEU Chi-restraints excluded: chain B residue 138 GLN Chi-restraints excluded: chain B residue 144 GLU Chi-restraints excluded: chain B residue 149 THR Chi-restraints excluded: chain B residue 150 MET Chi-restraints excluded: chain B residue 151 HIS Chi-restraints excluded: chain B residue 154 SER Chi-restraints excluded: chain B residue 159 GLU Chi-restraints excluded: chain B residue 161 GLU Chi-restraints excluded: chain B residue 162 LYS Chi-restraints excluded: chain B residue 163 VAL Chi-restraints excluded: chain B residue 164 ARG Chi-restraints excluded: chain B residue 165 VAL Chi-restraints excluded: chain B residue 167 ASP Chi-restraints excluded: chain B residue 170 ILE Chi-restraints excluded: chain B residue 173 SER Chi-restraints excluded: chain B residue 174 VAL Chi-restraints excluded: chain B residue 189 LEU Chi-restraints excluded: chain B residue 192 ASP Chi-restraints excluded: chain B residue 194 SER Chi-restraints excluded: chain B residue 206 CYS Chi-restraints excluded: chain B residue 210 GLU Chi-restraints excluded: chain B residue 211 GLU Chi-restraints excluded: chain B residue 215 THR Chi-restraints excluded: chain B residue 219 VAL Chi-restraints excluded: chain B residue 222 LEU Chi-restraints excluded: chain B residue 226 HIS Chi-restraints excluded: chain B residue 229 GLU Chi-restraints excluded: chain B residue 232 THR Chi-restraints excluded: chain B residue 240 ASP Chi-restraints excluded: chain B residue 243 ARG Chi-restraints excluded: chain B residue 248 GLU Chi-restraints excluded: chain B residue 258 SER Chi-restraints excluded: chain B residue 260 TRP Chi-restraints excluded: chain B residue 262 LEU Chi-restraints excluded: chain B residue 267 ILE Chi-restraints excluded: chain B residue 272 SER Chi-restraints excluded: chain B residue 276 TRP Chi-restraints excluded: chain B residue 278 GLN Chi-restraints excluded: chain B residue 281 ARG Chi-restraints excluded: chain B residue 283 ARG Chi-restraints excluded: chain B residue 285 VAL Chi-restraints excluded: chain B residue 286 THR Chi-restraints excluded: chain B residue 287 THR Chi-restraints excluded: chain B residue 299 LEU Chi-restraints excluded: chain B residue 300 VAL Chi-restraints excluded: chain B residue 302 VAL Chi-restraints excluded: chain B residue 303 ASP Chi-restraints excluded: chain B residue 306 LYS Chi-restraints excluded: chain B residue 312 THR Chi-restraints excluded: chain B residue 313 SER Chi-restraints excluded: chain B residue 318 VAL Chi-restraints excluded: chain B residue 320 LYS Chi-restraints excluded: chain B residue 334 MET Chi-restraints excluded: chain B residue 343 GLU Chi-restraints excluded: chain B residue 345 LEU Chi-restraints excluded: chain B residue 348 VAL Chi-restraints excluded: chain B residue 357 LEU Chi-restraints excluded: chain B residue 358 THR Chi-restraints excluded: chain B residue 359 TYR Chi-restraints excluded: chain B residue 373 LYS Chi-restraints excluded: chain B residue 381 GLU Chi-restraints excluded: chain B residue 388 LEU Chi-restraints excluded: chain B residue 389 PHE Chi-restraints excluded: chain B residue 390 LEU Chi-restraints excluded: chain B residue 396 GLU Chi-restraints excluded: chain B residue 398 SER Chi-restraints excluded: chain B residue 416 LYS Chi-restraints excluded: chain B residue 419 ASP Chi-restraints excluded: chain B residue 420 SER Chi-restraints excluded: chain B residue 422 SER Chi-restraints excluded: chain B residue 424 LYS Chi-restraints excluded: chain B residue 436 LEU Chi-restraints excluded: chain B residue 444 SER Chi-restraints excluded: chain B residue 453 GLU Chi-restraints excluded: chain B residue 455 PRO Chi-restraints excluded: chain B residue 456 SER Chi-restraints excluded: chain B residue 457 GLU Chi-restraints excluded: chain B residue 459 LEU Chi-restraints excluded: chain B residue 469 ARG Chi-restraints excluded: chain B residue 470 SER Chi-restraints excluded: chain B residue 472 ARG Chi-restraints excluded: chain B residue 476 SER Chi-restraints excluded: chain B residue 477 LEU Chi-restraints excluded: chain B residue 478 PHE Chi-restraints excluded: chain B residue 483 MET Chi-restraints excluded: chain B residue 487 VAL Chi-restraints excluded: chain B residue 488 LEU Chi-restraints excluded: chain B residue 494 LEU Chi-restraints excluded: chain B residue 497 TYR Chi-restraints excluded: chain B residue 498 THR Chi-restraints excluded: chain B residue 499 THR Chi-restraints excluded: chain B residue 503 PHE Chi-restraints excluded: chain B residue 510 GLU Chi-restraints excluded: chain B residue 514 SER Chi-restraints excluded: chain B residue 517 GLU Chi-restraints excluded: chain B residue 521 LEU Chi-restraints excluded: chain B residue 526 LEU Chi-restraints excluded: chain B residue 534 ARG Chi-restraints excluded: chain B residue 536 ASN Chi-restraints excluded: chain B residue 537 CYS Chi-restraints excluded: chain B residue 542 THR Chi-restraints excluded: chain B residue 545 ASP Chi-restraints excluded: chain B residue 549 SER Chi-restraints excluded: chain B residue 553 ARG Chi-restraints excluded: chain B residue 557 SER Chi-restraints excluded: chain B residue 566 CYS Chi-restraints excluded: chain B residue 569 ILE Chi-restraints excluded: chain B residue 570 GLU Chi-restraints excluded: chain B residue 573 GLU Chi-restraints excluded: chain B residue 578 ILE Chi-restraints excluded: chain B residue 581 ASN Chi-restraints excluded: chain B residue 587 ILE Chi-restraints excluded: chain B residue 590 LEU Chi-restraints excluded: chain B residue 600 LEU Chi-restraints excluded: chain B residue 608 VAL Chi-restraints excluded: chain B residue 612 VAL Chi-restraints excluded: chain B residue 614 VAL Chi-restraints excluded: chain B residue 616 SER Chi-restraints excluded: chain B residue 622 THR Chi-restraints excluded: chain B residue 624 ASN Chi-restraints excluded: chain B residue 629 ARG Chi-restraints excluded: chain B residue 634 GLN Chi-restraints excluded: chain B residue 637 LEU Chi-restraints excluded: chain B residue 641 VAL Chi-restraints excluded: chain B residue 643 SER Chi-restraints excluded: chain B residue 648 ILE Chi-restraints excluded: chain B residue 650 VAL Chi-restraints excluded: chain B residue 659 TYR Chi-restraints excluded: chain B residue 662 TRP Chi-restraints excluded: chain B residue 663 TYR Chi-restraints excluded: chain B residue 668 VAL Chi-restraints excluded: chain B residue 669 ASP Chi-restraints excluded: chain B residue 671 VAL Chi-restraints excluded: chain B residue 675 LEU Chi-restraints excluded: chain B residue 680 THR Chi-restraints excluded: chain B residue 683 ARG Chi-restraints excluded: chain B residue 684 VAL Chi-restraints excluded: chain B residue 692 TYR Chi-restraints excluded: chain B residue 700 GLU Chi-restraints excluded: chain B residue 707 VAL Chi-restraints excluded: chain B residue 710 ASP Chi-restraints excluded: chain B residue 716 PHE Chi-restraints excluded: chain B residue 719 LEU Chi-restraints excluded: chain B residue 720 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 744 VAL Chi-restraints excluded: chain B residue 749 ASP Chi-restraints excluded: chain B residue 751 SER Chi-restraints excluded: chain B residue 752 VAL Chi-restraints excluded: chain B residue 754 SER Chi-restraints excluded: chain B residue 758 ARG Chi-restraints excluded: chain B residue 760 ASN Chi-restraints excluded: chain B residue 776 LEU Chi-restraints excluded: chain B residue 780 VAL Chi-restraints excluded: chain B residue 784 SER Chi-restraints excluded: chain B residue 787 VAL Chi-restraints excluded: chain B residue 788 LYS Chi-restraints excluded: chain B residue 791 PHE Chi-restraints excluded: chain B residue 793 LEU Chi-restraints excluded: chain B residue 800 PHE Chi-restraints excluded: chain B residue 803 LEU Chi-restraints excluded: chain B residue 812 HIS Chi-restraints excluded: chain B residue 835 ARG Chi-restraints excluded: chain B residue 840 VAL Chi-restraints excluded: chain B residue 850 ASP Chi-restraints excluded: chain B residue 867 LEU Chi-restraints excluded: chain B residue 868 GLU Chi-restraints excluded: chain B residue 869 ARG Chi-restraints excluded: chain B residue 870 ILE Chi-restraints excluded: chain B residue 887 ILE Chi-restraints excluded: chain B residue 891 TRP Chi-restraints excluded: chain B residue 893 TYR Chi-restraints excluded: chain B residue 907 LEU Chi-restraints excluded: chain B residue 913 LEU Chi-restraints excluded: chain B residue 944 GLU Chi-restraints excluded: chain B residue 974 HIS Chi-restraints excluded: chain B residue 978 THR Chi-restraints excluded: chain B residue 1034 SER Chi-restraints excluded: chain B residue 1036 ARG Chi-restraints excluded: chain B residue 1037 ASP Chi-restraints excluded: chain B residue 1044 ARG Chi-restraints excluded: chain B residue 1046 LEU Chi-restraints excluded: chain B residue 1076 ARG Chi-restraints excluded: chain B residue 1079 LYS Chi-restraints excluded: chain B residue 1080 SER Chi-restraints excluded: chain B residue 1082 THR Chi-restraints excluded: chain B residue 1083 VAL Chi-restraints excluded: chain B residue 1099 GLU Chi-restraints excluded: chain B residue 1102 VAL Chi-restraints excluded: chain B residue 1110 ARG Chi-restraints excluded: chain B residue 1112 ASP Chi-restraints excluded: chain B residue 1113 VAL Chi-restraints excluded: chain B residue 1120 LEU Chi-restraints excluded: chain B residue 1123 VAL Chi-restraints excluded: chain B residue 1127 HIS Chi-restraints excluded: chain B residue 1133 HIS Chi-restraints excluded: chain B residue 1134 LEU Chi-restraints excluded: chain B residue 1139 PHE Chi-restraints excluded: chain B residue 1141 ARG Chi-restraints excluded: chain B residue 1148 VAL Chi-restraints excluded: chain B residue 1149 VAL 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 1159 THR Chi-restraints excluded: chain B residue 1164 LEU Chi-restraints excluded: chain B residue 1179 PHE Chi-restraints excluded: chain B residue 1184 ILE Chi-restraints excluded: chain B residue 1191 VAL Chi-restraints excluded: chain B residue 1193 SER Chi-restraints excluded: chain B residue 1198 GLN Chi-restraints excluded: chain B residue 1201 HIS 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 1210 SER Chi-restraints excluded: chain B residue 1214 PHE Chi-restraints excluded: chain B residue 1230 MET Chi-restraints excluded: chain B residue 1232 ARG 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 1242 LEU Chi-restraints excluded: chain B residue 1252 HIS Chi-restraints excluded: chain B residue 1255 TYR Chi-restraints excluded: chain B residue 1260 MET Chi-restraints excluded: chain B residue 1266 THR Chi-restraints excluded: chain B residue 1574 PRO 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 1608 MET Chi-restraints excluded: chain B residue 1612 PHE Chi-restraints excluded: chain B residue 1630 CYS Chi-restraints excluded: chain B residue 1635 THR Chi-restraints excluded: chain B residue 1637 MET Chi-restraints excluded: chain B residue 1639 LEU Chi-restraints excluded: chain B residue 1647 CYS Chi-restraints excluded: chain B residue 1648 MET Chi-restraints excluded: chain B residue 1652 GLU Chi-restraints excluded: chain B residue 1653 LEU Chi-restraints excluded: chain B residue 1654 SER Chi-restraints excluded: chain B residue 1655 GLU Chi-restraints excluded: chain B residue 1657 LEU Chi-restraints excluded: chain B residue 1664 SER Chi-restraints excluded: chain B residue 1666 THR Chi-restraints excluded: chain B residue 1671 ARG Chi-restraints excluded: chain B residue 1681 VAL Chi-restraints excluded: chain B residue 1687 SER Chi-restraints excluded: chain B residue 1689 VAL Chi-restraints excluded: chain B residue 1693 GLN Chi-restraints excluded: chain B residue 1695 LEU Chi-restraints excluded: chain B residue 1700 ASP Chi-restraints excluded: chain B residue 1702 HIS Chi-restraints excluded: chain B residue 1706 PRO Chi-restraints excluded: chain B residue 1714 LEU Chi-restraints excluded: chain B residue 1716 ILE Chi-restraints excluded: chain B residue 1717 SER Chi-restraints excluded: chain B residue 1720 LEU Chi-restraints excluded: chain B residue 1721 GLU Chi-restraints excluded: chain B residue 1724 CYS Chi-restraints excluded: chain B residue 1727 ARG Chi-restraints excluded: chain B residue 1730 MET Chi-restraints excluded: chain B residue 1731 LEU Chi-restraints excluded: chain B residue 1733 GLU Chi-restraints excluded: chain B residue 1736 VAL Chi-restraints excluded: chain B residue 1742 THR Chi-restraints excluded: chain B residue 1745 ILE Chi-restraints excluded: chain B residue 1765 VAL Chi-restraints excluded: chain B residue 1768 THR Chi-restraints excluded: chain B residue 1769 THR Chi-restraints excluded: chain B residue 1771 LEU Chi-restraints excluded: chain B residue 1776 HIS Chi-restraints excluded: chain B residue 1783 VAL Chi-restraints excluded: chain B residue 1786 LEU Chi-restraints excluded: chain B residue 1797 ARG Chi-restraints excluded: chain B residue 1798 LEU Chi-restraints excluded: chain B residue 1802 ILE Chi-restraints excluded: chain B residue 1813 ARG Chi-restraints excluded: chain B residue 1817 GLU Chi-restraints excluded: chain B residue 1830 VAL Chi-restraints excluded: chain B residue 1833 SER Chi-restraints excluded: chain B residue 1834 VAL Chi-restraints excluded: chain B residue 1845 VAL Chi-restraints excluded: chain B residue 1847 THR Chi-restraints excluded: chain B residue 1850 VAL Chi-restraints excluded: chain B residue 1862 ILE Chi-restraints excluded: chain B residue 1934 SER Chi-restraints excluded: chain B residue 1935 VAL Chi-restraints excluded: chain B residue 1947 CYS Chi-restraints excluded: chain B residue 1950 GLU Chi-restraints excluded: chain B residue 1953 HIS Chi-restraints excluded: chain B residue 1955 VAL Chi-restraints excluded: chain B residue 1963 GLU Chi-restraints excluded: chain B residue 1965 TYR Chi-restraints excluded: chain B residue 1969 LEU Chi-restraints excluded: chain B residue 1973 GLN Chi-restraints excluded: chain B residue 1980 LEU Chi-restraints excluded: chain B residue 2006 ILE Chi-restraints excluded: chain B residue 2010 LEU Chi-restraints excluded: chain B residue 2011 HIS Chi-restraints excluded: chain B residue 2027 ILE Chi-restraints excluded: chain B residue 2031 LEU Chi-restraints excluded: chain B residue 2032 GLN Chi-restraints excluded: chain B residue 2039 LEU Chi-restraints excluded: chain B residue 2041 HIS Chi-restraints excluded: chain B residue 2097 LEU Chi-restraints excluded: chain B residue 2098 VAL Chi-restraints excluded: chain B residue 2099 SER Chi-restraints excluded: chain B residue 2103 VAL Chi-restraints excluded: chain B residue 2117 VAL Chi-restraints excluded: chain B residue 2122 SER Chi-restraints excluded: chain B residue 2126 ARG Chi-restraints excluded: chain B residue 2140 ARG Chi-restraints excluded: chain B residue 2148 SER Chi-restraints excluded: chain B residue 2152 THR Chi-restraints excluded: chain B residue 2162 ILE Chi-restraints excluded: chain B residue 2164 SER Chi-restraints excluded: chain B residue 2165 LEU Chi-restraints excluded: chain B residue 2166 LEU Chi-restraints excluded: chain B residue 2167 ILE Chi-restraints excluded: chain B residue 2170 MET Chi-restraints excluded: chain B residue 2172 PRO Chi-restraints excluded: chain B residue 2187 ASN Chi-restraints excluded: chain B residue 2191 PHE Chi-restraints excluded: chain B residue 2192 TYR Chi-restraints excluded: chain B residue 2194 HIS Chi-restraints excluded: chain B residue 2198 MET Chi-restraints excluded: chain B residue 2203 MET Chi-restraints excluded: chain B residue 2210 VAL Chi-restraints excluded: chain B residue 2215 LEU Chi-restraints excluded: chain B residue 2223 ILE Chi-restraints excluded: chain B residue 2240 CYS Chi-restraints excluded: chain B residue 2243 SER Chi-restraints excluded: chain B residue 2245 GLN Chi-restraints excluded: chain B residue 2246 ASN Chi-restraints excluded: chain B residue 2249 SER Chi-restraints excluded: chain B residue 2253 HIS Chi-restraints excluded: chain B residue 2273 LEU Chi-restraints excluded: chain B residue 2274 ASP Chi-restraints excluded: chain B residue 2275 VAL Chi-restraints excluded: chain B residue 2279 SER Chi-restraints excluded: chain B residue 2281 ILE Chi-restraints excluded: chain B residue 2286 LEU Chi-restraints excluded: chain B residue 2290 LEU Chi-restraints excluded: chain B residue 2291 GLN Chi-restraints excluded: chain B residue 2292 GLU Chi-restraints excluded: chain B residue 2299 VAL Chi-restraints excluded: chain B residue 2300 SER Chi-restraints excluded: chain B residue 2301 TYR Chi-restraints excluded: chain B residue 2302 LEU Chi-restraints excluded: chain B residue 2314 LEU Chi-restraints excluded: chain B residue 2336 ARG Chi-restraints excluded: chain B residue 2339 VAL Chi-restraints excluded: chain B residue 2341 VAL Chi-restraints excluded: chain B residue 2364 PHE Chi-restraints excluded: chain B residue 2418 LEU Chi-restraints excluded: chain B residue 2420 HIS Chi-restraints excluded: chain B residue 2438 PRO Chi-restraints excluded: chain B residue 2442 LEU Chi-restraints excluded: chain B residue 2443 ILE Chi-restraints excluded: chain B residue 2451 LEU Chi-restraints excluded: chain B residue 2456 ILE Chi-restraints excluded: chain B residue 2457 LEU Chi-restraints excluded: chain B residue 2458 ARG Chi-restraints excluded: chain B residue 2460 LEU Chi-restraints excluded: chain B residue 2470 ILE Chi-restraints excluded: chain B residue 2472 LEU Chi-restraints excluded: chain B residue 2742 THR Chi-restraints excluded: chain B residue 2752 ASP Chi-restraints excluded: chain B residue 2758 PHE Chi-restraints excluded: chain B residue 2761 TYR Chi-restraints excluded: chain B residue 2762 THR Chi-restraints excluded: chain B residue 2777 TYR Chi-restraints excluded: chain B residue 2779 GLU Chi-restraints excluded: chain B residue 2785 LEU Chi-restraints excluded: chain B residue 2806 ARG Chi-restraints excluded: chain B residue 2807 TRP Chi-restraints excluded: chain B residue 2811 GLU Chi-restraints excluded: chain B residue 2812 SER Chi-restraints excluded: chain B residue 2869 ARG Chi-restraints excluded: chain B residue 2872 GLN Chi-restraints excluded: chain B residue 2882 TYR Chi-restraints excluded: chain B residue 2883 HIS Chi-restraints excluded: chain B residue 2889 LYS Chi-restraints excluded: chain B residue 2892 GLN Chi-restraints excluded: chain B residue 2895 GLU Chi-restraints excluded: chain B residue 2901 THR Chi-restraints excluded: chain B residue 2912 THR Chi-restraints excluded: chain B residue 2928 LYS Chi-restraints excluded: chain B residue 2932 MET Chi-restraints excluded: chain B residue 3641 LEU Chi-restraints excluded: chain B residue 3642 TYR Chi-restraints excluded: chain B residue 3643 ASN Chi-restraints excluded: chain B residue 3647 HIS Chi-restraints excluded: chain B residue 3648 ARG Chi-restraints excluded: chain B residue 3656 SER Chi-restraints excluded: chain B residue 3657 TYR Chi-restraints excluded: chain B residue 3658 LYS Chi-restraints excluded: chain B residue 3661 TRP Chi-restraints excluded: chain B residue 3663 LEU Chi-restraints excluded: chain B residue 3669 PHE Chi-restraints excluded: chain B residue 3671 ASP Chi-restraints excluded: chain B residue 3673 MET Chi-restraints excluded: chain B residue 3674 ILE Chi-restraints excluded: chain B residue 3678 SER Chi-restraints excluded: chain B residue 3696 ASP Chi-restraints excluded: chain B residue 3703 LEU Chi-restraints excluded: chain B residue 3706 SER Chi-restraints excluded: chain B residue 3708 THR Chi-restraints excluded: chain B residue 3710 LEU Chi-restraints excluded: chain B residue 3711 THR Chi-restraints excluded: chain B residue 3712 GLU Chi-restraints excluded: chain B residue 3727 ASP Chi-restraints excluded: chain B residue 3733 CYS Chi-restraints excluded: chain B residue 3751 VAL Chi-restraints excluded: chain B residue 3752 SER Chi-restraints excluded: chain B residue 3753 PHE Chi-restraints excluded: chain B residue 3761 GLN Chi-restraints excluded: chain B residue 3762 ARG Chi-restraints excluded: chain B residue 3764 LEU Chi-restraints excluded: chain B residue 3790 THR Chi-restraints excluded: chain B residue 3794 VAL Chi-restraints excluded: chain B residue 3795 SER Chi-restraints excluded: chain B residue 3803 SER Chi-restraints excluded: chain B residue 3804 ILE Chi-restraints excluded: chain B residue 3805 LEU Chi-restraints excluded: chain B residue 3809 ASN Chi-restraints excluded: chain B residue 3822 ASP Chi-restraints excluded: chain B residue 3825 GLU Chi-restraints excluded: chain B residue 3830 GLN Chi-restraints excluded: chain B residue 3835 LEU Chi-restraints excluded: chain B residue 3836 MET Chi-restraints excluded: chain B residue 3838 THR Chi-restraints excluded: chain B residue 3842 LEU Chi-restraints excluded: chain B residue 3886 ARG Chi-restraints excluded: chain B residue 3890 LEU Chi-restraints excluded: chain B residue 3892 CYS Chi-restraints excluded: chain B residue 3893 GLU Chi-restraints excluded: chain B residue 3899 PHE Chi-restraints excluded: chain B residue 3905 THR Chi-restraints excluded: chain B residue 3907 THR Chi-restraints excluded: chain B residue 3910 THR Chi-restraints excluded: chain B residue 3911 THR Chi-restraints excluded: chain B residue 3913 ILE Chi-restraints excluded: chain B residue 3919 THR Chi-restraints excluded: chain B residue 3920 VAL Chi-restraints excluded: chain B residue 3930 ILE Chi-restraints excluded: chain B residue 3938 SER Chi-restraints excluded: chain B residue 3950 ASN Chi-restraints excluded: chain B residue 3952 SER Chi-restraints excluded: chain B residue 3964 SER Chi-restraints excluded: chain B residue 3966 THR Chi-restraints excluded: chain B residue 3973 CYS Chi-restraints excluded: chain B residue 3974 THR Chi-restraints excluded: chain B residue 3979 SER Chi-restraints excluded: chain B residue 3984 ARG Chi-restraints excluded: chain B residue 4001 MET Chi-restraints excluded: chain B residue 4021 LYS Chi-restraints excluded: chain B residue 4035 VAL Chi-restraints excluded: chain B residue 4040 ILE Chi-restraints excluded: chain B residue 4044 MET Chi-restraints excluded: chain B residue 4052 SER Chi-restraints excluded: chain B residue 4053 SER Chi-restraints excluded: chain B residue 4054 ASN Chi-restraints excluded: chain B residue 4066 LEU Chi-restraints excluded: chain B residue 4072 VAL Chi-restraints excluded: chain B residue 4074 SER Chi-restraints excluded: chain B residue 4081 VAL Chi-restraints excluded: chain B residue 4082 THR Chi-restraints excluded: chain B residue 4083 ASP Chi-restraints excluded: chain B residue 4088 ILE Chi-restraints excluded: chain B residue 4092 ASP Chi-restraints excluded: chain B residue 4097 MET Chi-restraints excluded: chain B residue 4098 ASP Chi-restraints excluded: chain B residue 4100 GLN Chi-restraints excluded: chain B residue 4102 GLN Chi-restraints excluded: chain B residue 4104 THR Chi-restraints excluded: chain B residue 4108 ILE Chi-restraints excluded: chain B residue 4110 PHE Chi-restraints excluded: chain B residue 4113 SER Chi-restraints excluded: chain B residue 4114 CYS Chi-restraints excluded: chain B residue 4116 GLU Chi-restraints excluded: chain B residue 4118 ASP Chi-restraints excluded: chain B residue 4123 ILE Chi-restraints excluded: chain B residue 4127 GLU Chi-restraints excluded: chain B residue 4132 PHE Chi-restraints excluded: chain B residue 4142 ASN Chi-restraints excluded: chain B residue 4151 SER Chi-restraints excluded: chain B residue 4152 GLU Chi-restraints excluded: chain B residue 4161 ARG Chi-restraints excluded: chain B residue 4166 LEU Chi-restraints excluded: chain B residue 4168 GLU Chi-restraints excluded: chain B residue 4170 ILE Chi-restraints excluded: chain B residue 4180 ARG Chi-restraints excluded: chain B residue 4182 GLU Chi-restraints excluded: chain B residue 4183 ILE Chi-restraints excluded: chain B residue 4187 SER Chi-restraints excluded: chain B residue 4190 ILE Chi-restraints excluded: chain B residue 4192 ARG Chi-restraints excluded: chain B residue 4196 GLU Chi-restraints excluded: chain B residue 4197 ILE Chi-restraints excluded: chain B residue 4199 GLU Chi-restraints excluded: chain B residue 4205 TRP Chi-restraints excluded: chain B residue 4213 SER Chi-restraints excluded: chain B residue 4217 PHE Chi-restraints excluded: chain B residue 4221 VAL Chi-restraints excluded: chain B residue 4241 THR Chi-restraints excluded: chain B residue 4246 GLN Chi-restraints excluded: chain B residue 4251 ILE Chi-restraints excluded: chain B residue 4549 VAL Chi-restraints excluded: chain B residue 4552 LEU Chi-restraints excluded: chain B residue 4553 ASN Chi-restraints excluded: chain B residue 4561 THR Chi-restraints excluded: chain B residue 4562 LEU Chi-restraints excluded: chain B residue 4563 ARG Chi-restraints excluded: chain B residue 4569 LEU Chi-restraints excluded: chain B residue 4571 PHE Chi-restraints excluded: chain B residue 4573 ILE Chi-restraints excluded: chain B residue 4580 TYR Chi-restraints excluded: chain B residue 4628 VAL Chi-restraints excluded: chain B residue 4631 PHE Chi-restraints excluded: chain B residue 4632 LEU Chi-restraints excluded: chain B residue 4636 THR Chi-restraints excluded: chain B residue 4639 MET Chi-restraints excluded: chain B residue 4643 LEU Chi-restraints excluded: chain B residue 4648 LEU Chi-restraints excluded: chain B residue 4651 THR Chi-restraints excluded: chain B residue 4670 ILE Chi-restraints excluded: chain B residue 4676 GLU Chi-restraints excluded: chain B residue 4682 GLU Chi-restraints excluded: chain B residue 4688 ILE Chi-restraints excluded: chain B residue 4695 ASP Chi-restraints excluded: chain B residue 4723 LYS Chi-restraints excluded: chain B residue 4724 VAL Chi-restraints excluded: chain B residue 4728 HIS Chi-restraints excluded: chain B residue 4736 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 4744 ASP Chi-restraints excluded: chain B residue 4751 THR Chi-restraints excluded: chain B residue 4765 LEU Chi-restraints excluded: chain B residue 4768 LEU Chi-restraints excluded: chain B residue 4770 SER Chi-restraints excluded: chain B residue 4773 VAL Chi-restraints excluded: chain B residue 4782 VAL Chi-restraints excluded: chain B residue 4788 SER Chi-restraints excluded: chain B residue 4799 SER Chi-restraints excluded: chain B residue 4804 TYR Chi-restraints excluded: chain B residue 4816 ILE Chi-restraints excluded: chain B residue 4818 MET Chi-restraints excluded: chain B residue 4822 THR Chi-restraints excluded: chain B residue 4827 LEU Chi-restraints excluded: chain B residue 4828 SER Chi-restraints excluded: chain B residue 4831 THR Chi-restraints excluded: chain B residue 4840 THR Chi-restraints excluded: chain B residue 4852 THR Chi-restraints excluded: chain B residue 4856 PHE Chi-restraints excluded: chain B residue 4858 PHE Chi-restraints excluded: chain B residue 4861 LYS Chi-restraints excluded: chain B residue 4868 ASP Chi-restraints excluded: chain B residue 4870 ASP Chi-restraints excluded: chain B residue 4873 ASP Chi-restraints excluded: chain B residue 4876 CYS Chi-restraints excluded: chain B residue 4879 MET Chi-restraints excluded: chain B residue 4881 THR Chi-restraints excluded: chain B residue 4884 LEU Chi-restraints excluded: chain B residue 4887 MET Chi-restraints excluded: chain B residue 4888 TYR Chi-restraints excluded: chain B residue 4891 VAL Chi-restraints excluded: chain B residue 4910 GLU Chi-restraints excluded: chain B residue 4915 VAL Chi-restraints excluded: chain B residue 4916 PHE Chi-restraints excluded: chain B residue 4917 ASP Chi-restraints excluded: chain B residue 4918 ILE Chi-restraints excluded: chain B residue 4919 THR Chi-restraints excluded: chain B residue 4925 ILE Chi-restraints excluded: chain B residue 4928 LEU Chi-restraints excluded: chain B residue 4943 LEU Chi-restraints excluded: chain B residue 4947 GLN Chi-restraints excluded: chain B residue 4950 VAL Chi-restraints excluded: chain B residue 4952 GLU Chi-restraints excluded: chain B residue 4953 ASP Chi-restraints excluded: chain B residue 4956 THR Chi-restraints excluded: chain B residue 4961 CYS Chi-restraints excluded: chain B residue 4963 ILE Chi-restraints excluded: chain B residue 4965 SER Chi-restraints excluded: chain B residue 4970 THR Chi-restraints excluded: chain B residue 4971 THR Chi-restraints excluded: chain B residue 4977 THR Chi-restraints excluded: chain B residue 4979 THR Chi-restraints excluded: chain B residue 4983 HIS Chi-restraints excluded: chain B residue 4985 LEU Chi-restraints excluded: chain B residue 4989 MET Chi-restraints excluded: chain B residue 4997 ASN Chi-restraints excluded: chain B residue 5001 THR Chi-restraints excluded: chain B residue 5008 SER Chi-restraints excluded: chain B residue 5009 TYR Chi-restraints excluded: chain B residue 5016 GLU Chi-restraints excluded: chain B residue 5018 CYS Chi-restraints excluded: chain B residue 5020 ASP Chi-restraints excluded: chain B residue 5021 PHE Chi-restraints excluded: chain B residue 5034 ASP Chi-restraints excluded: chain B residue 5036 LEU Chi-restraints excluded: chain B residue 5037 SER Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 0 random chunks: chunk None optimal weight: 6.9990 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 218 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 278 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 379 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 460 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 617 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 624 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 647 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 735 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 736 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 904 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 921 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1220 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2112 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2194 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2883 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2902 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2924 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3830 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3946 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3998 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4162 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4553 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4714 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4947 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 218 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 278 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 379 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 617 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 624 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 647 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 736 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 904 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 921 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2112 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2194 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2441 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2877 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2883 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3830 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3946 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3998 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4162 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4553 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4714 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4803 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 218 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 647 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 736 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 904 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 921 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2112 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2194 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2877 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2883 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3781 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3830 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3946 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3998 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4553 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4714 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4803 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 218 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 379 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 399 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 520 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 624 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 647 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 904 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 921 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2112 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2194 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2883 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2902 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3830 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3946 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3998 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4133 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4162 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4553 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4714 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4803 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 0 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8439 moved from start: 0.9113 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.055 0.440 119505 Z= 3.540 Angle : 3.130 59.197 162917 Z= 1.598 Chirality : 0.153 0.961 19033 Planarity : 0.021 0.406 21423 Dihedral : 14.545 90.466 17817 Min Nonbonded Distance : 1.095 Molprobity Statistics. All-atom Clashscore : 90.35 Ramachandran Plot: Outliers : 2.31 % Allowed : 38.15 % Favored : 59.54 % Rotamer: Outliers : 26.41 % Allowed : 27.47 % Favored : 46.12 % Cbeta Deviations : 0.66 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 6.91 % Twisted General : 3.78 % 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: -7.39 (0.05), residues: 12808 helix: -4.66 (0.04), residues: 5668 sheet: -3.82 (0.14), residues: 1072 loop : -5.45 (0.05), residues: 6068 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.095 0.012 TRP C5011 HIS 0.054 0.007 HIS B4983 PHE 0.110 0.011 PHE B1238 TYR 0.116 0.011 TYR A 359 ARG 0.053 0.003 ARG A3773 ********************** REFINEMENT MACRO_CYCLE 10 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 25616 Ramachandran restraints generated. 12808 Oldfield, 0 Emsley, 12808 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 25616 Ramachandran restraints generated. 12808 Oldfield, 0 Emsley, 12808 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3198 residues out of total 11248 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2653 poor density : 545 time to evaluate : 11.131 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 50 GLU cc_start: 0.8641 (OUTLIER) cc_final: 0.8011 (tp30) REVERT: A 115 ARG cc_start: 0.9071 (OUTLIER) cc_final: 0.8494 (mmm-85) REVERT: A 150 MET cc_start: 0.8921 (OUTLIER) cc_final: 0.7463 (mpt) REVERT: A 159 GLU cc_start: 0.8823 (OUTLIER) cc_final: 0.8452 (tm-30) REVERT: A 229 GLU cc_start: 0.7583 (OUTLIER) cc_final: 0.7220 (tt0) REVERT: A 243 ARG cc_start: 0.8569 (OUTLIER) cc_final: 0.7316 (mmm160) REVERT: A 248 GLU cc_start: 0.6677 (OUTLIER) cc_final: 0.6390 (mp0) REVERT: A 276 TRP cc_start: 0.7097 (OUTLIER) cc_final: 0.6521 (m100) REVERT: A 283 ARG cc_start: 0.8053 (OUTLIER) cc_final: 0.7292 (ttm170) REVERT: A 403 MET cc_start: 0.8869 (mtp) cc_final: 0.8630 (mtp) REVERT: A 419 ASP cc_start: 0.8600 (OUTLIER) cc_final: 0.8242 (m-30) REVERT: A 524 GLU cc_start: 0.8979 (OUTLIER) cc_final: 0.8632 (mp0) REVERT: A 553 ARG cc_start: 0.8497 (OUTLIER) cc_final: 0.7782 (tmt-80) REVERT: A 581 ASN cc_start: 0.7961 (OUTLIER) cc_final: 0.7657 (p0) REVERT: A 652 ARG cc_start: 0.7268 (OUTLIER) cc_final: 0.6821 (ttp-170) REVERT: A 659 TYR cc_start: 0.5550 (OUTLIER) cc_final: 0.4789 (m-80) REVERT: A 662 TRP cc_start: 0.7531 (OUTLIER) cc_final: 0.7075 (m-10) REVERT: A 663 TYR cc_start: 0.6717 (OUTLIER) cc_final: 0.6032 (t80) REVERT: A 700 GLU cc_start: 0.7687 (OUTLIER) cc_final: 0.7328 (mp0) REVERT: A 735 GLN cc_start: 0.8695 (OUTLIER) cc_final: 0.8153 (mt0) REVERT: A 869 ARG cc_start: 0.6564 (OUTLIER) cc_final: 0.5434 (ptt-90) REVERT: A 870 ILE cc_start: 0.5970 (OUTLIER) cc_final: 0.4920 (mm) REVERT: A 893 TYR cc_start: 0.4969 (OUTLIER) cc_final: 0.3950 (p90) REVERT: A 1036 ARG cc_start: 0.6917 (OUTLIER) cc_final: 0.5209 (tmt170) REVERT: A 1044 ARG cc_start: 0.3060 (OUTLIER) cc_final: 0.2228 (tpp80) REVERT: A 1110 ARG cc_start: 0.9045 (OUTLIER) cc_final: 0.8704 (ptp-110) REVERT: A 1133 HIS cc_start: 0.9327 (OUTLIER) cc_final: 0.8777 (t-170) REVERT: A 1141 ARG cc_start: 0.8810 (OUTLIER) cc_final: 0.8093 (ptm160) REVERT: A 1152 MET cc_start: 0.8712 (OUTLIER) cc_final: 0.8459 (mtm) REVERT: A 1198 GLN cc_start: 0.8190 (OUTLIER) cc_final: 0.7654 (mm-40) REVERT: A 1202 LEU cc_start: 0.9391 (OUTLIER) cc_final: 0.8970 (tp) REVERT: A 1230 MET cc_start: 0.9083 (OUTLIER) cc_final: 0.8282 (mtt) REVERT: A 1232 ARG cc_start: 0.9131 (OUTLIER) cc_final: 0.8750 (ptt90) REVERT: A 1242 LEU cc_start: 0.9269 (OUTLIER) cc_final: 0.9003 (mp) REVERT: A 1255 TYR cc_start: 0.8854 (OUTLIER) cc_final: 0.7471 (m-80) REVERT: A 1652 GLU cc_start: 0.9495 (OUTLIER) cc_final: 0.8931 (tm-30) REVERT: A 1653 LEU cc_start: 0.9510 (OUTLIER) cc_final: 0.9057 (mp) REVERT: A 1655 GLU cc_start: 0.8606 (OUTLIER) cc_final: 0.7793 (tm-30) REVERT: A 1656 ARG cc_start: 0.9321 (OUTLIER) cc_final: 0.9044 (mmm160) REVERT: A 1671 ARG cc_start: 0.8763 (OUTLIER) cc_final: 0.8371 (mtm-85) REVERT: A 1714 LEU cc_start: 0.9476 (OUTLIER) cc_final: 0.8977 (mp) REVERT: A 1727 ARG cc_start: 0.8745 (OUTLIER) cc_final: 0.8203 (tpp80) REVERT: A 1733 GLU cc_start: 0.8604 (OUTLIER) cc_final: 0.8091 (mp0) REVERT: A 1771 LEU cc_start: 0.9385 (OUTLIER) cc_final: 0.8825 (mp) REVERT: A 1939 MET cc_start: 0.9091 (mmm) cc_final: 0.8807 (tpp) REVERT: A 1963 GLU cc_start: 0.8434 (OUTLIER) cc_final: 0.8154 (pp20) REVERT: A 1965 TYR cc_start: 0.8098 (OUTLIER) cc_final: 0.7609 (t80) REVERT: A 1973 GLN cc_start: 0.7569 (OUTLIER) cc_final: 0.7174 (tm-30) REVERT: A 2032 GLN cc_start: 0.8857 (OUTLIER) cc_final: 0.8497 (mm110) REVERT: A 2126 ARG cc_start: 0.9442 (OUTLIER) cc_final: 0.9214 (mtp85) REVERT: A 2191 PHE cc_start: 0.9173 (OUTLIER) cc_final: 0.8384 (t80) REVERT: A 2245 GLN cc_start: 0.9522 (OUTLIER) cc_final: 0.8817 (mm-40) REVERT: A 2336 ARG cc_start: 0.8984 (OUTLIER) cc_final: 0.8584 (ttp-110) REVERT: A 2364 PHE cc_start: 0.7675 (OUTLIER) cc_final: 0.6882 (m-80) REVERT: A 2420 HIS cc_start: 0.8308 (OUTLIER) cc_final: 0.8072 (t70) REVERT: A 2458 ARG cc_start: 0.7809 (OUTLIER) cc_final: 0.7481 (tpt90) REVERT: A 2758 PHE cc_start: 0.3127 (OUTLIER) cc_final: 0.2919 (m-80) REVERT: A 2777 TYR cc_start: -0.1198 (OUTLIER) cc_final: -0.1549 (m-80) REVERT: A 2779 GLU cc_start: 0.1978 (OUTLIER) cc_final: 0.0606 (mt-10) REVERT: A 2811 GLU cc_start: 0.3019 (OUTLIER) cc_final: 0.2106 (mm-30) REVERT: A 2939 ARG cc_start: 0.4886 (mtt180) cc_final: 0.4580 (mtt180) REVERT: A 3642 TYR cc_start: 0.7773 (OUTLIER) cc_final: 0.6642 (p90) REVERT: A 3643 ASN cc_start: 0.7456 (OUTLIER) cc_final: 0.7140 (p0) REVERT: A 3647 HIS cc_start: 0.8083 (OUTLIER) cc_final: 0.7463 (p90) REVERT: A 3672 ARG cc_start: 0.8892 (OUTLIER) cc_final: 0.8394 (ttp80) REVERT: A 3710 LEU cc_start: 0.9358 (OUTLIER) cc_final: 0.9123 (tt) REVERT: A 3753 PHE cc_start: 0.8012 (OUTLIER) cc_final: 0.7634 (t80) REVERT: A 3805 LEU cc_start: 0.9627 (OUTLIER) cc_final: 0.9314 (pp) REVERT: A 3835 LEU cc_start: 0.9491 (OUTLIER) cc_final: 0.9156 (tt) REVERT: A 3886 ARG cc_start: 0.9385 (OUTLIER) cc_final: 0.8461 (tpt90) REVERT: A 4054 ASN cc_start: 0.9036 (OUTLIER) cc_final: 0.8469 (m-40) REVERT: A 4066 LEU cc_start: 0.9474 (OUTLIER) cc_final: 0.9195 (mp) REVERT: A 4071 ILE cc_start: 0.9372 (OUTLIER) cc_final: 0.9165 (tt) REVERT: A 4078 GLN cc_start: 0.9447 (OUTLIER) cc_final: 0.8661 (tm-30) REVERT: A 4097 MET cc_start: 0.9012 (OUTLIER) cc_final: 0.8467 (mpp) REVERT: A 4108 ILE cc_start: 0.9192 (OUTLIER) cc_final: 0.8932 (mm) REVERT: A 4132 PHE cc_start: 0.8630 (OUTLIER) cc_final: 0.8172 (m-10) REVERT: A 4142 ASN cc_start: 0.9562 (OUTLIER) cc_final: 0.8978 (t0) REVERT: A 4205 TRP cc_start: 0.9589 (OUTLIER) cc_final: 0.9253 (t-100) REVERT: A 4562 LEU cc_start: 0.9192 (OUTLIER) cc_final: 0.8900 (tt) REVERT: A 4563 ARG cc_start: 0.8940 (OUTLIER) cc_final: 0.8274 (tpt90) REVERT: A 4580 TYR cc_start: 0.9431 (OUTLIER) cc_final: 0.8106 (m-80) REVERT: A 4736 ARG cc_start: 0.9171 (OUTLIER) cc_final: 0.8457 (mtp85) REVERT: A 4770 SER cc_start: 0.7008 (OUTLIER) cc_final: 0.6625 (p) REVERT: A 4803 HIS cc_start: 0.8733 (OUTLIER) cc_final: 0.8472 (m90) REVERT: A 4839 MET cc_start: 0.8811 (mmm) cc_final: 0.8596 (mmm) REVERT: A 4913 ARG cc_start: 0.8869 (OUTLIER) cc_final: 0.7954 (tpt90) REVERT: A 4953 ASP cc_start: 0.8990 (OUTLIER) cc_final: 0.8616 (t0) REVERT: A 4957 LYS cc_start: 0.8965 (OUTLIER) cc_final: 0.8682 (mmtp) REVERT: A 5020 ASP cc_start: 0.9422 (OUTLIER) cc_final: 0.9147 (m-30) REVERT: C 15 ARG cc_start: 0.8520 (OUTLIER) cc_final: 0.8286 (mmp80) REVERT: C 50 GLU cc_start: 0.8630 (OUTLIER) cc_final: 0.7993 (tp30) REVERT: C 115 ARG cc_start: 0.9063 (OUTLIER) cc_final: 0.8466 (mmm-85) REVERT: C 150 MET cc_start: 0.8944 (OUTLIER) cc_final: 0.7489 (mpt) REVERT: C 159 GLU cc_start: 0.8677 (OUTLIER) cc_final: 0.8395 (tp30) REVERT: C 210 GLU cc_start: 0.8078 (OUTLIER) cc_final: 0.7853 (pm20) REVERT: C 229 GLU cc_start: 0.7653 (OUTLIER) cc_final: 0.7322 (tt0) REVERT: C 243 ARG cc_start: 0.8587 (OUTLIER) cc_final: 0.7328 (mmm160) REVERT: C 248 GLU cc_start: 0.7008 (OUTLIER) cc_final: 0.6780 (mp0) REVERT: C 260 TRP cc_start: 0.8847 (OUTLIER) cc_final: 0.7449 (m100) REVERT: C 261 ARG cc_start: 0.7600 (OUTLIER) cc_final: 0.7355 (ttt180) REVERT: C 276 TRP cc_start: 0.7104 (OUTLIER) cc_final: 0.6429 (m100) REVERT: C 320 LYS cc_start: 0.4546 (OUTLIER) cc_final: 0.4306 (mmmt) REVERT: C 419 ASP cc_start: 0.8613 (OUTLIER) cc_final: 0.8210 (m-30) REVERT: C 524 GLU cc_start: 0.8935 (OUTLIER) cc_final: 0.8515 (mp0) REVERT: C 581 ASN cc_start: 0.7907 (OUTLIER) cc_final: 0.7657 (p0) REVERT: C 629 ARG cc_start: 0.8927 (OUTLIER) cc_final: 0.8601 (mtp85) REVERT: C 652 ARG cc_start: 0.7263 (OUTLIER) cc_final: 0.6816 (ttp-170) REVERT: C 659 TYR cc_start: 0.5538 (OUTLIER) cc_final: 0.4741 (m-80) REVERT: C 662 TRP cc_start: 0.7566 (OUTLIER) cc_final: 0.7108 (m-10) REVERT: C 663 TYR cc_start: 0.6643 (OUTLIER) cc_final: 0.5976 (t80) REVERT: C 683 ARG cc_start: 0.8293 (OUTLIER) cc_final: 0.5411 (mmt90) REVERT: C 700 GLU cc_start: 0.7701 (OUTLIER) cc_final: 0.7350 (mp0) REVERT: C 735 GLN cc_start: 0.8483 (OUTLIER) cc_final: 0.7769 (mt0) REVERT: C 831 ARG cc_start: 0.8694 (OUTLIER) cc_final: 0.8473 (ttp-110) REVERT: C 869 ARG cc_start: 0.6558 (OUTLIER) cc_final: 0.5375 (ptt180) REVERT: C 870 ILE cc_start: 0.5950 (OUTLIER) cc_final: 0.4819 (mm) REVERT: C 893 TYR cc_start: 0.4845 (OUTLIER) cc_final: 0.3947 (p90) REVERT: C 1036 ARG cc_start: 0.6906 (OUTLIER) cc_final: 0.5192 (tmt170) REVERT: C 1044 ARG cc_start: 0.3046 (OUTLIER) cc_final: 0.2202 (tpp80) REVERT: C 1110 ARG cc_start: 0.9091 (OUTLIER) cc_final: 0.8739 (ptp-110) REVERT: C 1133 HIS cc_start: 0.9360 (OUTLIER) cc_final: 0.8759 (t-170) REVERT: C 1141 ARG cc_start: 0.8799 (OUTLIER) cc_final: 0.8095 (ptm160) REVERT: C 1152 MET cc_start: 0.8721 (OUTLIER) cc_final: 0.8491 (mtm) REVERT: C 1198 GLN cc_start: 0.8177 (OUTLIER) cc_final: 0.7612 (mm-40) REVERT: C 1202 LEU cc_start: 0.9342 (OUTLIER) cc_final: 0.8883 (tp) REVERT: C 1204 LEU cc_start: 0.9186 (OUTLIER) cc_final: 0.8927 (mm) REVERT: C 1230 MET cc_start: 0.9099 (OUTLIER) cc_final: 0.8303 (mtt) REVERT: C 1232 ARG cc_start: 0.9128 (OUTLIER) cc_final: 0.8748 (ptt90) REVERT: C 1242 LEU cc_start: 0.9274 (OUTLIER) cc_final: 0.9000 (mp) REVERT: C 1255 TYR cc_start: 0.8869 (OUTLIER) cc_final: 0.7498 (m-80) REVERT: C 1630 CYS cc_start: 0.8412 (OUTLIER) cc_final: 0.8005 (p) REVERT: C 1652 GLU cc_start: 0.9495 (OUTLIER) cc_final: 0.8928 (tm-30) REVERT: C 1653 LEU cc_start: 0.9507 (OUTLIER) cc_final: 0.9051 (mp) REVERT: C 1655 GLU cc_start: 0.8611 (OUTLIER) cc_final: 0.7803 (tm-30) REVERT: C 1656 ARG cc_start: 0.9321 (OUTLIER) cc_final: 0.9041 (mmm160) REVERT: C 1671 ARG cc_start: 0.8749 (OUTLIER) cc_final: 0.8377 (mtm-85) REVERT: C 1714 LEU cc_start: 0.9439 (OUTLIER) cc_final: 0.8977 (mp) REVERT: C 1727 ARG cc_start: 0.8707 (OUTLIER) cc_final: 0.8194 (tpp80) REVERT: C 1733 GLU cc_start: 0.8469 (OUTLIER) cc_final: 0.7874 (mp0) REVERT: C 1771 LEU cc_start: 0.9358 (OUTLIER) cc_final: 0.8824 (mp) REVERT: C 1813 ARG cc_start: 0.9242 (OUTLIER) cc_final: 0.8303 (ttp80) REVERT: C 1939 MET cc_start: 0.9104 (mmm) cc_final: 0.8832 (tpp) REVERT: C 1963 GLU cc_start: 0.8431 (OUTLIER) cc_final: 0.8157 (pp20) REVERT: C 1965 TYR cc_start: 0.8099 (OUTLIER) cc_final: 0.7608 (t80) REVERT: C 1973 GLN cc_start: 0.7547 (OUTLIER) cc_final: 0.7151 (tm-30) REVERT: C 2032 GLN cc_start: 0.8864 (OUTLIER) cc_final: 0.8498 (mm110) REVERT: C 2126 ARG cc_start: 0.9494 (OUTLIER) cc_final: 0.9231 (mtp85) REVERT: C 2191 PHE cc_start: 0.9142 (OUTLIER) cc_final: 0.8339 (t80) REVERT: C 2245 GLN cc_start: 0.9519 (OUTLIER) cc_final: 0.8824 (mm-40) REVERT: C 2336 ARG cc_start: 0.8979 (OUTLIER) cc_final: 0.8568 (ttp-110) REVERT: C 2364 PHE cc_start: 0.7696 (OUTLIER) cc_final: 0.6969 (m-80) REVERT: C 2420 HIS cc_start: 0.8315 (OUTLIER) cc_final: 0.8090 (t70) REVERT: C 2458 ARG cc_start: 0.7803 (OUTLIER) cc_final: 0.7486 (tpt90) REVERT: C 2758 PHE cc_start: 0.3125 (OUTLIER) cc_final: 0.2899 (m-80) REVERT: C 2777 TYR cc_start: -0.1187 (OUTLIER) cc_final: -0.1561 (m-80) REVERT: C 2779 GLU cc_start: 0.1951 (OUTLIER) cc_final: 0.0616 (mt-10) REVERT: C 2809 ILE cc_start: -0.1117 (OUTLIER) cc_final: -0.1327 (mt) REVERT: C 2811 GLU cc_start: 0.3233 (OUTLIER) cc_final: 0.2565 (mm-30) REVERT: C 2939 ARG cc_start: 0.5026 (mtt180) cc_final: 0.4637 (mtt180) REVERT: C 3642 TYR cc_start: 0.7768 (OUTLIER) cc_final: 0.6628 (p90) REVERT: C 3643 ASN cc_start: 0.7457 (OUTLIER) cc_final: 0.7138 (p0) REVERT: C 3647 HIS cc_start: 0.8071 (OUTLIER) cc_final: 0.7505 (p90) REVERT: C 3669 PHE cc_start: 0.8879 (OUTLIER) cc_final: 0.8207 (p90) REVERT: C 3753 PHE cc_start: 0.7977 (OUTLIER) cc_final: 0.7613 (t80) REVERT: C 3805 LEU cc_start: 0.9593 (OUTLIER) cc_final: 0.9258 (pp) REVERT: C 3835 LEU cc_start: 0.9509 (OUTLIER) cc_final: 0.9172 (tt) REVERT: C 3886 ARG cc_start: 0.9266 (OUTLIER) cc_final: 0.8279 (tpt90) REVERT: C 4054 ASN cc_start: 0.9041 (OUTLIER) cc_final: 0.8440 (m-40) REVERT: C 4066 LEU cc_start: 0.9454 (OUTLIER) cc_final: 0.9166 (mp) REVERT: C 4071 ILE cc_start: 0.9355 (OUTLIER) cc_final: 0.9139 (tt) REVERT: C 4078 GLN cc_start: 0.9444 (OUTLIER) cc_final: 0.8659 (tm-30) REVERT: C 4097 MET cc_start: 0.8974 (OUTLIER) cc_final: 0.8488 (mpp) REVERT: C 4102 GLN cc_start: 0.8862 (OUTLIER) cc_final: 0.8454 (pt0) REVERT: C 4108 ILE cc_start: 0.9229 (OUTLIER) cc_final: 0.8988 (mm) REVERT: C 4132 PHE cc_start: 0.8649 (OUTLIER) cc_final: 0.8206 (m-10) REVERT: C 4142 ASN cc_start: 0.9566 (OUTLIER) cc_final: 0.8954 (t0) REVERT: C 4205 TRP cc_start: 0.9592 (OUTLIER) cc_final: 0.9260 (t-100) REVERT: C 4562 LEU cc_start: 0.9186 (OUTLIER) cc_final: 0.8921 (tt) REVERT: C 4580 TYR cc_start: 0.9464 (OUTLIER) cc_final: 0.8053 (m-80) REVERT: C 4736 ARG cc_start: 0.9184 (OUTLIER) cc_final: 0.8469 (mtp85) REVERT: C 4770 SER cc_start: 0.6994 (OUTLIER) cc_final: 0.6610 (p) REVERT: C 4839 MET cc_start: 0.8798 (mmm) cc_final: 0.8571 (mmm) REVERT: C 4884 LEU cc_start: 0.8963 (OUTLIER) cc_final: 0.8742 (tt) REVERT: C 4892 ARG cc_start: 0.9213 (OUTLIER) cc_final: 0.7235 (ttp80) REVERT: C 4913 ARG cc_start: 0.8951 (OUTLIER) cc_final: 0.8030 (tpt90) REVERT: C 4953 ASP cc_start: 0.8997 (OUTLIER) cc_final: 0.8644 (t0) REVERT: C 5020 ASP cc_start: 0.9406 (OUTLIER) cc_final: 0.9135 (m-30) REVERT: D 50 GLU cc_start: 0.8639 (OUTLIER) cc_final: 0.8009 (tp30) REVERT: D 69 LEU cc_start: 0.9026 (OUTLIER) cc_final: 0.8786 (pt) REVERT: D 150 MET cc_start: 0.8921 (OUTLIER) cc_final: 0.7479 (mpt) REVERT: D 159 GLU cc_start: 0.8824 (OUTLIER) cc_final: 0.8473 (tm-30) REVERT: D 177 GLU cc_start: 0.9321 (OUTLIER) cc_final: 0.8855 (mp0) REVERT: D 210 GLU cc_start: 0.8105 (OUTLIER) cc_final: 0.7738 (pm20) REVERT: D 229 GLU cc_start: 0.7546 (OUTLIER) cc_final: 0.7195 (tt0) REVERT: D 243 ARG cc_start: 0.8565 (OUTLIER) cc_final: 0.7245 (mmm160) REVERT: D 248 GLU cc_start: 0.7024 (OUTLIER) cc_final: 0.6774 (mp0) REVERT: D 261 ARG cc_start: 0.7585 (OUTLIER) cc_final: 0.7330 (ttt180) REVERT: D 276 TRP cc_start: 0.7327 (OUTLIER) cc_final: 0.6857 (m100) REVERT: D 419 ASP cc_start: 0.8628 (OUTLIER) cc_final: 0.8247 (m-30) REVERT: D 553 ARG cc_start: 0.8502 (OUTLIER) cc_final: 0.7796 (tmt-80) REVERT: D 581 ASN cc_start: 0.8001 (OUTLIER) cc_final: 0.7738 (p0) REVERT: D 659 TYR cc_start: 0.5851 (OUTLIER) cc_final: 0.4944 (m-80) REVERT: D 662 TRP cc_start: 0.7180 (OUTLIER) cc_final: 0.6955 (m100) REVERT: D 663 TYR cc_start: 0.6600 (OUTLIER) cc_final: 0.6021 (t80) REVERT: D 683 ARG cc_start: 0.8273 (OUTLIER) cc_final: 0.5373 (mmt90) REVERT: D 700 GLU cc_start: 0.7805 (OUTLIER) cc_final: 0.7425 (mp0) REVERT: D 818 ARG cc_start: 0.7142 (OUTLIER) cc_final: 0.6889 (ttt180) REVERT: D 831 ARG cc_start: 0.8644 (OUTLIER) cc_final: 0.8418 (ttp-110) REVERT: D 869 ARG cc_start: 0.6574 (OUTLIER) cc_final: 0.5452 (ptt-90) REVERT: D 870 ILE cc_start: 0.5924 (OUTLIER) cc_final: 0.4898 (mm) REVERT: D 893 TYR cc_start: 0.5104 (OUTLIER) cc_final: 0.4291 (p90) REVERT: D 1036 ARG cc_start: 0.6831 (OUTLIER) cc_final: 0.5253 (tmt170) REVERT: D 1044 ARG cc_start: 0.3050 (OUTLIER) cc_final: 0.2214 (tpp80) REVERT: D 1110 ARG cc_start: 0.9148 (OUTLIER) cc_final: 0.8826 (ptp-110) REVERT: D 1133 HIS cc_start: 0.9333 (OUTLIER) cc_final: 0.8725 (t-170) REVERT: D 1141 ARG cc_start: 0.8794 (OUTLIER) cc_final: 0.8090 (ptm160) REVERT: D 1152 MET cc_start: 0.8729 (OUTLIER) cc_final: 0.8486 (mtm) REVERT: D 1198 GLN cc_start: 0.8165 (OUTLIER) cc_final: 0.7610 (mm-40) REVERT: D 1202 LEU cc_start: 0.9332 (OUTLIER) cc_final: 0.8870 (tp) REVERT: D 1204 LEU cc_start: 0.9187 (OUTLIER) cc_final: 0.8932 (mm) REVERT: D 1232 ARG cc_start: 0.9121 (OUTLIER) cc_final: 0.8735 (ptt90) REVERT: D 1242 LEU cc_start: 0.9304 (OUTLIER) cc_final: 0.9070 (mp) REVERT: D 1255 TYR cc_start: 0.8865 (OUTLIER) cc_final: 0.7480 (m-80) REVERT: D 1630 CYS cc_start: 0.8394 (OUTLIER) cc_final: 0.8032 (p) REVERT: D 1652 GLU cc_start: 0.9496 (OUTLIER) cc_final: 0.9089 (tm-30) REVERT: D 1655 GLU cc_start: 0.8895 (OUTLIER) cc_final: 0.7922 (tm-30) REVERT: D 1657 LEU cc_start: 0.9749 (OUTLIER) cc_final: 0.9418 (mm) REVERT: D 1671 ARG cc_start: 0.8751 (OUTLIER) cc_final: 0.8370 (mtm-85) REVERT: D 1714 LEU cc_start: 0.9435 (OUTLIER) cc_final: 0.8971 (mp) REVERT: D 1727 ARG cc_start: 0.8700 (OUTLIER) cc_final: 0.8196 (tpp80) REVERT: D 1733 GLU cc_start: 0.8562 (OUTLIER) cc_final: 0.8019 (mp0) REVERT: D 1771 LEU cc_start: 0.9381 (OUTLIER) cc_final: 0.8808 (mp) REVERT: D 1813 ARG cc_start: 0.9221 (OUTLIER) cc_final: 0.8329 (ttp80) REVERT: D 1939 MET cc_start: 0.9083 (mmm) cc_final: 0.8809 (tpp) REVERT: D 1963 GLU cc_start: 0.8425 (OUTLIER) cc_final: 0.8127 (pp20) REVERT: D 1965 TYR cc_start: 0.8055 (OUTLIER) cc_final: 0.7553 (t80) REVERT: D 1973 GLN cc_start: 0.7559 (OUTLIER) cc_final: 0.7164 (tm-30) REVERT: D 2032 GLN cc_start: 0.8853 (OUTLIER) cc_final: 0.8473 (mm110) REVERT: D 2126 ARG cc_start: 0.9483 (OUTLIER) cc_final: 0.9204 (mtp85) REVERT: D 2165 LEU cc_start: 0.9485 (OUTLIER) cc_final: 0.9280 (tp) REVERT: D 2191 PHE cc_start: 0.9155 (OUTLIER) cc_final: 0.8371 (t80) REVERT: D 2245 GLN cc_start: 0.9526 (OUTLIER) cc_final: 0.8823 (mm-40) REVERT: D 2336 ARG cc_start: 0.8980 (OUTLIER) cc_final: 0.8561 (ttp-110) REVERT: D 2364 PHE cc_start: 0.7667 (OUTLIER) cc_final: 0.6949 (m-80) REVERT: D 2420 HIS cc_start: 0.8297 (OUTLIER) cc_final: 0.8075 (t70) REVERT: D 2458 ARG cc_start: 0.7808 (OUTLIER) cc_final: 0.7489 (tpt90) REVERT: D 2758 PHE cc_start: 0.3113 (OUTLIER) cc_final: 0.2889 (m-80) REVERT: D 2777 TYR cc_start: -0.1158 (OUTLIER) cc_final: -0.1532 (m-80) REVERT: D 2779 GLU cc_start: 0.1925 (OUTLIER) cc_final: 0.0564 (mt-10) REVERT: D 3642 TYR cc_start: 0.7772 (OUTLIER) cc_final: 0.6635 (p90) REVERT: D 3643 ASN cc_start: 0.7455 (OUTLIER) cc_final: 0.7132 (p0) REVERT: D 3647 HIS cc_start: 0.8079 (OUTLIER) cc_final: 0.7474 (p90) REVERT: D 3663 LEU cc_start: 0.9268 (OUTLIER) cc_final: 0.9032 (mm) REVERT: D 3712 GLU cc_start: 0.8946 (OUTLIER) cc_final: 0.8631 (pm20) REVERT: D 3753 PHE cc_start: 0.7972 (OUTLIER) cc_final: 0.7587 (t80) REVERT: D 3805 LEU cc_start: 0.9467 (OUTLIER) cc_final: 0.9181 (pp) REVERT: D 3835 LEU cc_start: 0.9482 (OUTLIER) cc_final: 0.9150 (tt) REVERT: D 3893 GLU cc_start: 0.9223 (OUTLIER) cc_final: 0.8917 (tp30) REVERT: D 4054 ASN cc_start: 0.9057 (OUTLIER) cc_final: 0.8452 (m-40) REVERT: D 4066 LEU cc_start: 0.9460 (OUTLIER) cc_final: 0.9191 (mp) REVERT: D 4071 ILE cc_start: 0.9364 (OUTLIER) cc_final: 0.9143 (tt) REVERT: D 4097 MET cc_start: 0.8927 (OUTLIER) cc_final: 0.8496 (mpp) REVERT: D 4102 GLN cc_start: 0.8862 (OUTLIER) cc_final: 0.8443 (pt0) REVERT: D 4108 ILE cc_start: 0.9271 (OUTLIER) cc_final: 0.9029 (mm) REVERT: D 4132 PHE cc_start: 0.8642 (OUTLIER) cc_final: 0.8177 (m-10) REVERT: D 4142 ASN cc_start: 0.9567 (OUTLIER) cc_final: 0.8984 (t0) REVERT: D 4205 TRP cc_start: 0.9577 (OUTLIER) cc_final: 0.9242 (t-100) REVERT: D 4562 LEU cc_start: 0.9195 (OUTLIER) cc_final: 0.8904 (tt) REVERT: D 4563 ARG cc_start: 0.8982 (OUTLIER) cc_final: 0.8289 (tpt90) REVERT: D 4580 TYR cc_start: 0.9473 (OUTLIER) cc_final: 0.8231 (m-80) REVERT: D 4698 LYS cc_start: 0.7916 (OUTLIER) cc_final: 0.7710 (mmtt) REVERT: D 4736 ARG cc_start: 0.9168 (OUTLIER) cc_final: 0.8462 (mtp85) REVERT: D 4770 SER cc_start: 0.7073 (OUTLIER) cc_final: 0.6683 (p) REVERT: D 4796 MET cc_start: 0.9002 (OUTLIER) cc_final: 0.8497 (tmm) REVERT: D 4839 MET cc_start: 0.8821 (mmm) cc_final: 0.8601 (mmm) REVERT: D 4884 LEU cc_start: 0.9148 (OUTLIER) cc_final: 0.8932 (tp) REVERT: D 4953 ASP cc_start: 0.8979 (OUTLIER) cc_final: 0.8605 (t0) REVERT: D 4957 LYS cc_start: 0.9032 (OUTLIER) cc_final: 0.8618 (mmtp) REVERT: D 5020 ASP cc_start: 0.9463 (OUTLIER) cc_final: 0.9192 (m-30) REVERT: B 15 ARG cc_start: 0.8521 (OUTLIER) cc_final: 0.8117 (mmp80) REVERT: B 50 GLU cc_start: 0.8644 (OUTLIER) cc_final: 0.8007 (tp30) REVERT: B 125 ARG cc_start: 0.8232 (OUTLIER) cc_final: 0.7988 (ttp80) REVERT: B 150 MET cc_start: 0.8947 (OUTLIER) cc_final: 0.7506 (mpt) REVERT: B 159 GLU cc_start: 0.8854 (OUTLIER) cc_final: 0.8484 (tm-30) REVERT: B 210 GLU cc_start: 0.8073 (OUTLIER) cc_final: 0.7669 (pm20) REVERT: B 229 GLU cc_start: 0.7671 (OUTLIER) cc_final: 0.7291 (tt0) REVERT: B 243 ARG cc_start: 0.8559 (OUTLIER) cc_final: 0.7317 (mmm160) REVERT: B 248 GLU cc_start: 0.6915 (OUTLIER) cc_final: 0.6679 (mp0) REVERT: B 276 TRP cc_start: 0.7370 (OUTLIER) cc_final: 0.7028 (m100) REVERT: B 283 ARG cc_start: 0.8045 (OUTLIER) cc_final: 0.7273 (ttm170) REVERT: B 320 LYS cc_start: 0.4642 (OUTLIER) cc_final: 0.4407 (mmmt) REVERT: B 403 MET cc_start: 0.8869 (mtp) cc_final: 0.8634 (mtp) REVERT: B 419 ASP cc_start: 0.8586 (OUTLIER) cc_final: 0.8223 (m-30) REVERT: B 581 ASN cc_start: 0.7984 (OUTLIER) cc_final: 0.7714 (p0) REVERT: B 629 ARG cc_start: 0.8888 (OUTLIER) cc_final: 0.8671 (mtp85) REVERT: B 659 TYR cc_start: 0.5846 (OUTLIER) cc_final: 0.4938 (m-80) REVERT: B 662 TRP cc_start: 0.7175 (OUTLIER) cc_final: 0.6950 (m100) REVERT: B 663 TYR cc_start: 0.6595 (OUTLIER) cc_final: 0.6099 (t80) REVERT: B 683 ARG cc_start: 0.8269 (OUTLIER) cc_final: 0.5408 (mmt90) REVERT: B 700 GLU cc_start: 0.7800 (OUTLIER) cc_final: 0.7421 (mp0) REVERT: B 831 ARG cc_start: 0.8623 (OUTLIER) cc_final: 0.8381 (ttp-110) REVERT: B 869 ARG cc_start: 0.6552 (OUTLIER) cc_final: 0.5364 (ptt180) REVERT: B 870 ILE cc_start: 0.5976 (OUTLIER) cc_final: 0.4814 (mm) REVERT: B 893 TYR cc_start: 0.4942 (OUTLIER) cc_final: 0.4127 (p90) REVERT: B 944 GLU cc_start: 0.2263 (OUTLIER) cc_final: 0.1883 (tt0) REVERT: B 1036 ARG cc_start: 0.6826 (OUTLIER) cc_final: 0.5248 (tmt170) REVERT: B 1044 ARG cc_start: 0.3055 (OUTLIER) cc_final: 0.2211 (tpp80) REVERT: B 1110 ARG cc_start: 0.9132 (OUTLIER) cc_final: 0.8809 (ptp-110) REVERT: B 1133 HIS cc_start: 0.9319 (OUTLIER) cc_final: 0.8710 (t-170) REVERT: B 1141 ARG cc_start: 0.8813 (OUTLIER) cc_final: 0.8094 (ptm160) REVERT: B 1152 MET cc_start: 0.8711 (OUTLIER) cc_final: 0.8480 (mtm) REVERT: B 1202 LEU cc_start: 0.9313 (OUTLIER) cc_final: 0.8882 (tp) REVERT: B 1232 ARG cc_start: 0.9121 (OUTLIER) cc_final: 0.8733 (ptt90) REVERT: B 1242 LEU cc_start: 0.9344 (OUTLIER) cc_final: 0.9099 (mp) REVERT: B 1255 TYR cc_start: 0.8857 (OUTLIER) cc_final: 0.7517 (m-80) REVERT: B 1630 CYS cc_start: 0.8489 (OUTLIER) cc_final: 0.8077 (p) REVERT: B 1652 GLU cc_start: 0.9491 (OUTLIER) cc_final: 0.9086 (tm-30) REVERT: B 1655 GLU cc_start: 0.8897 (OUTLIER) cc_final: 0.7972 (tm-30) REVERT: B 1671 ARG cc_start: 0.8747 (OUTLIER) cc_final: 0.8359 (mtm-85) REVERT: B 1714 LEU cc_start: 0.9421 (OUTLIER) cc_final: 0.8958 (mp) REVERT: B 1727 ARG cc_start: 0.8736 (OUTLIER) cc_final: 0.8235 (tpp80) REVERT: B 1733 GLU cc_start: 0.8512 (OUTLIER) cc_final: 0.7973 (mp0) REVERT: B 1771 LEU cc_start: 0.9245 (OUTLIER) cc_final: 0.8852 (mp) REVERT: B 1813 ARG cc_start: 0.9234 (OUTLIER) cc_final: 0.8223 (ttp80) REVERT: B 1939 MET cc_start: 0.9110 (mmm) cc_final: 0.8845 (tpp) REVERT: B 1963 GLU cc_start: 0.8422 (OUTLIER) cc_final: 0.8091 (pp20) REVERT: B 1965 TYR cc_start: 0.8080 (OUTLIER) cc_final: 0.7591 (t80) REVERT: B 1973 GLN cc_start: 0.7555 (OUTLIER) cc_final: 0.7157 (tm-30) REVERT: B 2032 GLN cc_start: 0.8808 (OUTLIER) cc_final: 0.8423 (mm110) REVERT: B 2126 ARG cc_start: 0.9489 (OUTLIER) cc_final: 0.9212 (mtp85) REVERT: B 2165 LEU cc_start: 0.9477 (OUTLIER) cc_final: 0.9250 (tp) REVERT: B 2191 PHE cc_start: 0.9149 (OUTLIER) cc_final: 0.8364 (t80) REVERT: B 2245 GLN cc_start: 0.9517 (OUTLIER) cc_final: 0.8814 (mm-40) REVERT: B 2292 GLU cc_start: 0.7294 (OUTLIER) cc_final: 0.6808 (pp20) REVERT: B 2336 ARG cc_start: 0.8983 (OUTLIER) cc_final: 0.8577 (ttp-110) REVERT: B 2364 PHE cc_start: 0.7700 (OUTLIER) cc_final: 0.6960 (m-80) REVERT: B 2420 HIS cc_start: 0.8303 (OUTLIER) cc_final: 0.8075 (t70) REVERT: B 2458 ARG cc_start: 0.7802 (OUTLIER) cc_final: 0.7482 (tpt90) REVERT: B 2758 PHE cc_start: 0.3160 (OUTLIER) cc_final: 0.2920 (m-80) REVERT: B 2777 TYR cc_start: -0.1160 (OUTLIER) cc_final: -0.1530 (m-80) REVERT: B 2779 GLU cc_start: 0.1959 (OUTLIER) cc_final: 0.0609 (mt-10) REVERT: B 2811 GLU cc_start: 0.3180 (OUTLIER) cc_final: 0.2550 (mm-30) REVERT: B 3642 TYR cc_start: 0.7738 (OUTLIER) cc_final: 0.6621 (p90) REVERT: B 3643 ASN cc_start: 0.7464 (OUTLIER) cc_final: 0.7135 (p0) REVERT: B 3647 HIS cc_start: 0.8075 (OUTLIER) cc_final: 0.7471 (p90) REVERT: B 3663 LEU cc_start: 0.9270 (OUTLIER) cc_final: 0.9048 (mm) REVERT: B 3673 MET cc_start: 0.8808 (OUTLIER) cc_final: 0.8323 (ttt) REVERT: B 3712 GLU cc_start: 0.8944 (OUTLIER) cc_final: 0.8632 (pm20) REVERT: B 3753 PHE cc_start: 0.7978 (OUTLIER) cc_final: 0.7600 (t80) REVERT: B 3805 LEU cc_start: 0.9483 (OUTLIER) cc_final: 0.9179 (pp) REVERT: B 3835 LEU cc_start: 0.9489 (OUTLIER) cc_final: 0.9159 (tt) REVERT: B 3886 ARG cc_start: 0.9274 (OUTLIER) cc_final: 0.8299 (tpt90) REVERT: B 3893 GLU cc_start: 0.9224 (OUTLIER) cc_final: 0.8907 (tp30) REVERT: B 4054 ASN cc_start: 0.9057 (OUTLIER) cc_final: 0.8451 (m-40) REVERT: B 4066 LEU cc_start: 0.9464 (OUTLIER) cc_final: 0.9167 (mp) REVERT: B 4071 ILE cc_start: 0.9368 (OUTLIER) cc_final: 0.9162 (tt) REVERT: B 4097 MET cc_start: 0.8982 (OUTLIER) cc_final: 0.8509 (mpp) REVERT: B 4102 GLN cc_start: 0.8867 (OUTLIER) cc_final: 0.8449 (pt0) REVERT: B 4108 ILE cc_start: 0.9227 (OUTLIER) cc_final: 0.8971 (mm) REVERT: B 4110 PHE cc_start: 0.9086 (OUTLIER) cc_final: 0.8769 (t80) REVERT: B 4132 PHE cc_start: 0.8636 (OUTLIER) cc_final: 0.8178 (m-10) REVERT: B 4142 ASN cc_start: 0.9558 (OUTLIER) cc_final: 0.8974 (t0) REVERT: B 4205 TRP cc_start: 0.9590 (OUTLIER) cc_final: 0.9248 (t-100) REVERT: B 4562 LEU cc_start: 0.9191 (OUTLIER) cc_final: 0.8897 (tt) REVERT: B 4563 ARG cc_start: 0.8968 (OUTLIER) cc_final: 0.8264 (tpt90) REVERT: B 4580 TYR cc_start: 0.9471 (OUTLIER) cc_final: 0.8170 (m-80) REVERT: B 4736 ARG cc_start: 0.9173 (OUTLIER) cc_final: 0.8464 (mtp85) REVERT: B 4770 SER cc_start: 0.7077 (OUTLIER) cc_final: 0.6689 (p) REVERT: B 4839 MET cc_start: 0.8795 (mmm) cc_final: 0.8578 (mmm) REVERT: B 4953 ASP cc_start: 0.8962 (OUTLIER) cc_final: 0.8602 (t0) REVERT: B 5020 ASP cc_start: 0.9440 (OUTLIER) cc_final: 0.9147 (m-30) outliers start: 2653 outliers final: 2221 residues processed: 3046 average time/residue: 0.9319 time to fit residues: 5049.8132 Evaluate side-chains 3126 residues out of total 11248 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2581 poor density : 545 time to evaluate : 8.702 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 13 PHE Chi-restraints excluded: chain A residue 17 ASP Chi-restraints excluded: chain A residue 20 VAL Chi-restraints excluded: chain A residue 21 VAL Chi-restraints excluded: chain A residue 24 CYS Chi-restraints excluded: chain A residue 28 VAL Chi-restraints excluded: chain A residue 37 LEU Chi-restraints excluded: chain A residue 49 LEU Chi-restraints excluded: chain A residue 50 GLU Chi-restraints excluded: chain A residue 57 ASN Chi-restraints excluded: chain A residue 58 VAL Chi-restraints excluded: chain A residue 64 ILE Chi-restraints excluded: chain A residue 68 THR Chi-restraints excluded: chain A residue 74 SER Chi-restraints excluded: chain A residue 75 VAL Chi-restraints excluded: chain A residue 80 GLU Chi-restraints excluded: chain A residue 81 MET Chi-restraints excluded: chain A residue 82 LEU Chi-restraints excluded: chain A residue 107 ILE Chi-restraints excluded: chain A residue 109 LEU Chi-restraints excluded: chain A residue 111 HIS Chi-restraints excluded: chain A residue 114 SER Chi-restraints excluded: chain A residue 115 ARG Chi-restraints excluded: chain A residue 119 SER Chi-restraints excluded: chain A residue 124 SER Chi-restraints excluded: chain A residue 131 LEU Chi-restraints excluded: chain A residue 138 GLN Chi-restraints excluded: chain A residue 144 GLU Chi-restraints excluded: chain A residue 149 THR Chi-restraints excluded: chain A residue 150 MET Chi-restraints excluded: chain A residue 151 HIS Chi-restraints excluded: chain A residue 154 SER Chi-restraints excluded: chain A residue 157 ARG Chi-restraints excluded: chain A residue 159 GLU Chi-restraints excluded: chain A residue 161 GLU Chi-restraints excluded: chain A residue 162 LYS Chi-restraints excluded: chain A residue 163 VAL Chi-restraints excluded: chain A residue 164 ARG Chi-restraints excluded: chain A residue 165 VAL Chi-restraints excluded: chain A residue 167 ASP Chi-restraints excluded: chain A residue 170 ILE Chi-restraints excluded: chain A residue 173 SER Chi-restraints excluded: chain A residue 174 VAL Chi-restraints excluded: chain A residue 189 LEU Chi-restraints excluded: chain A residue 192 ASP Chi-restraints excluded: chain A residue 194 SER Chi-restraints excluded: chain A residue 206 CYS Chi-restraints excluded: chain A residue 211 GLU Chi-restraints excluded: chain A residue 215 THR Chi-restraints excluded: chain A residue 219 VAL Chi-restraints excluded: chain A residue 222 LEU Chi-restraints excluded: chain A residue 226 HIS Chi-restraints excluded: chain A residue 229 GLU Chi-restraints excluded: chain A residue 232 THR Chi-restraints excluded: chain A residue 240 ASP Chi-restraints excluded: chain A residue 243 ARG Chi-restraints excluded: chain A residue 248 GLU Chi-restraints excluded: chain A residue 258 SER Chi-restraints excluded: chain A residue 260 TRP Chi-restraints excluded: chain A residue 262 LEU Chi-restraints excluded: chain A residue 267 ILE Chi-restraints excluded: chain A residue 268 SER Chi-restraints excluded: chain A residue 272 SER Chi-restraints excluded: chain A residue 275 ARG Chi-restraints excluded: chain A residue 276 TRP Chi-restraints excluded: chain A residue 278 GLN Chi-restraints excluded: chain A residue 281 ARG Chi-restraints excluded: chain A residue 283 ARG Chi-restraints excluded: chain A residue 285 VAL Chi-restraints excluded: chain A residue 286 THR Chi-restraints excluded: chain A residue 287 THR Chi-restraints excluded: chain A residue 299 LEU Chi-restraints excluded: chain A residue 300 VAL Chi-restraints excluded: chain A residue 302 VAL Chi-restraints excluded: chain A residue 303 ASP Chi-restraints excluded: chain A residue 306 LYS Chi-restraints excluded: chain A residue 312 THR Chi-restraints excluded: chain A residue 313 SER Chi-restraints excluded: chain A residue 343 GLU Chi-restraints excluded: chain A residue 345 LEU Chi-restraints excluded: chain A residue 348 VAL Chi-restraints excluded: chain A residue 357 LEU Chi-restraints excluded: chain A residue 358 THR Chi-restraints excluded: chain A residue 359 TYR Chi-restraints excluded: chain A residue 373 LYS Chi-restraints excluded: chain A residue 381 GLU Chi-restraints excluded: chain A residue 384 MET Chi-restraints excluded: chain A residue 389 PHE Chi-restraints excluded: chain A residue 390 LEU Chi-restraints excluded: chain A residue 396 GLU Chi-restraints excluded: chain A residue 398 SER Chi-restraints excluded: chain A residue 419 ASP Chi-restraints excluded: chain A residue 420 SER Chi-restraints excluded: chain A residue 422 SER Chi-restraints excluded: chain A residue 424 LYS Chi-restraints excluded: chain A residue 436 LEU Chi-restraints excluded: chain A residue 444 SER Chi-restraints excluded: chain A residue 453 GLU Chi-restraints excluded: chain A residue 455 PRO Chi-restraints excluded: chain A residue 456 SER Chi-restraints excluded: chain A residue 457 GLU Chi-restraints excluded: chain A residue 459 LEU Chi-restraints excluded: chain A residue 469 ARG Chi-restraints excluded: chain A residue 470 SER Chi-restraints excluded: chain A residue 472 ARG Chi-restraints excluded: chain A residue 477 LEU Chi-restraints excluded: chain A residue 478 PHE Chi-restraints excluded: chain A residue 483 MET Chi-restraints excluded: chain A residue 487 VAL Chi-restraints excluded: chain A residue 488 LEU Chi-restraints excluded: chain A residue 494 LEU Chi-restraints excluded: chain A residue 497 TYR Chi-restraints excluded: chain A residue 498 THR Chi-restraints excluded: chain A residue 499 THR Chi-restraints excluded: chain A residue 503 PHE Chi-restraints excluded: chain A residue 510 GLU Chi-restraints excluded: chain A residue 514 SER Chi-restraints excluded: chain A residue 517 GLU Chi-restraints excluded: chain A residue 520 ASN Chi-restraints excluded: chain A residue 524 GLU Chi-restraints excluded: chain A residue 526 LEU Chi-restraints excluded: chain A residue 534 ARG Chi-restraints excluded: chain A residue 537 CYS Chi-restraints excluded: chain A residue 542 THR Chi-restraints excluded: chain A residue 549 SER Chi-restraints excluded: chain A residue 553 ARG Chi-restraints excluded: chain A residue 554 LEU Chi-restraints excluded: chain A residue 557 SER Chi-restraints excluded: chain A residue 566 CYS Chi-restraints excluded: chain A residue 569 ILE Chi-restraints excluded: chain A residue 570 GLU Chi-restraints excluded: chain A residue 573 GLU Chi-restraints excluded: chain A residue 578 ILE Chi-restraints excluded: chain A residue 581 ASN Chi-restraints excluded: chain A residue 587 ILE Chi-restraints excluded: chain A residue 590 LEU Chi-restraints excluded: chain A residue 600 LEU Chi-restraints excluded: chain A residue 608 VAL Chi-restraints excluded: chain A residue 612 VAL Chi-restraints excluded: chain A residue 614 VAL Chi-restraints excluded: chain A residue 616 SER Chi-restraints excluded: chain A residue 622 THR Chi-restraints excluded: chain A residue 626 LEU Chi-restraints excluded: chain A residue 634 GLN Chi-restraints excluded: chain A residue 637 LEU Chi-restraints excluded: chain A residue 641 VAL Chi-restraints excluded: chain A residue 643 SER Chi-restraints excluded: chain A residue 648 ILE Chi-restraints excluded: chain A residue 650 VAL Chi-restraints excluded: chain A residue 652 ARG Chi-restraints excluded: chain A residue 659 TYR Chi-restraints excluded: chain A residue 661 LYS Chi-restraints excluded: chain A residue 662 TRP Chi-restraints excluded: chain A residue 663 TYR Chi-restraints excluded: chain A residue 668 VAL Chi-restraints excluded: chain A residue 669 ASP 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 692 TYR Chi-restraints excluded: chain A residue 700 GLU Chi-restraints excluded: chain A residue 707 VAL Chi-restraints excluded: chain A residue 710 ASP Chi-restraints excluded: chain A residue 716 PHE Chi-restraints excluded: chain A residue 719 LEU Chi-restraints excluded: chain A residue 720 HIS Chi-restraints excluded: chain A residue 723 THR Chi-restraints excluded: chain A residue 726 VAL Chi-restraints excluded: chain A residue 730 VAL Chi-restraints excluded: chain A residue 735 GLN Chi-restraints excluded: chain A residue 737 LEU Chi-restraints excluded: chain A residue 744 VAL Chi-restraints excluded: chain A residue 745 SER Chi-restraints excluded: chain A residue 751 SER Chi-restraints excluded: chain A residue 752 VAL Chi-restraints excluded: chain A residue 754 SER Chi-restraints excluded: chain A residue 758 ARG Chi-restraints excluded: chain A residue 776 LEU Chi-restraints excluded: chain A residue 780 VAL Chi-restraints excluded: chain A residue 784 SER Chi-restraints excluded: chain A residue 788 LYS Chi-restraints excluded: chain A residue 790 ARG Chi-restraints excluded: chain A residue 791 PHE Chi-restraints excluded: chain A residue 793 LEU Chi-restraints excluded: chain A residue 800 PHE Chi-restraints excluded: chain A residue 803 LEU Chi-restraints excluded: chain A residue 811 CYS Chi-restraints excluded: chain A residue 812 HIS Chi-restraints excluded: chain A residue 818 ARG Chi-restraints excluded: chain A residue 835 ARG Chi-restraints excluded: chain A residue 840 VAL Chi-restraints excluded: chain A residue 850 ASP Chi-restraints excluded: chain A residue 858 THR Chi-restraints excluded: chain A residue 867 LEU Chi-restraints excluded: chain A residue 868 GLU Chi-restraints excluded: chain A residue 869 ARG Chi-restraints excluded: chain A residue 870 ILE Chi-restraints excluded: chain A residue 884 LEU Chi-restraints excluded: chain A residue 887 ILE Chi-restraints excluded: chain A residue 891 TRP Chi-restraints excluded: chain A residue 893 TYR Chi-restraints excluded: chain A residue 907 LEU Chi-restraints excluded: chain A residue 927 GLU Chi-restraints excluded: chain A residue 931 THR Chi-restraints excluded: chain A residue 939 VAL Chi-restraints excluded: chain A residue 974 HIS Chi-restraints excluded: chain A residue 978 THR Chi-restraints excluded: chain A residue 1034 SER Chi-restraints excluded: chain A residue 1036 ARG Chi-restraints excluded: chain A residue 1037 ASP Chi-restraints excluded: chain A residue 1044 ARG Chi-restraints excluded: chain A residue 1046 LEU Chi-restraints excluded: chain A residue 1076 ARG Chi-restraints excluded: chain A residue 1079 LYS Chi-restraints excluded: chain A residue 1080 SER Chi-restraints excluded: chain A residue 1082 THR Chi-restraints excluded: chain A residue 1083 VAL Chi-restraints excluded: chain A residue 1099 GLU Chi-restraints excluded: chain A residue 1102 VAL Chi-restraints excluded: chain A residue 1110 ARG Chi-restraints excluded: chain A residue 1112 ASP Chi-restraints excluded: chain A residue 1113 VAL Chi-restraints excluded: chain A residue 1118 ASP Chi-restraints excluded: chain A residue 1120 LEU Chi-restraints excluded: chain A residue 1123 VAL Chi-restraints excluded: chain A residue 1133 HIS Chi-restraints excluded: chain A residue 1134 LEU Chi-restraints excluded: chain A residue 1139 PHE Chi-restraints excluded: chain A residue 1141 ARG Chi-restraints excluded: chain A residue 1148 VAL Chi-restraints excluded: chain A residue 1149 VAL Chi-restraints excluded: chain A residue 1152 MET Chi-restraints excluded: chain A residue 1153 ILE Chi-restraints excluded: chain A residue 1154 ASP Chi-restraints excluded: chain A residue 1159 THR Chi-restraints excluded: chain A residue 1164 LEU Chi-restraints excluded: chain A residue 1179 PHE Chi-restraints excluded: chain A residue 1184 ILE Chi-restraints excluded: chain A residue 1191 VAL Chi-restraints excluded: chain A residue 1193 SER Chi-restraints excluded: chain A residue 1198 GLN Chi-restraints excluded: chain A residue 1201 HIS 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 1210 SER Chi-restraints excluded: chain A residue 1214 PHE Chi-restraints excluded: chain A residue 1230 MET Chi-restraints excluded: chain A residue 1232 ARG Chi-restraints excluded: chain A residue 1234 VAL Chi-restraints excluded: chain A residue 1238 PHE Chi-restraints excluded: chain A residue 1239 SER Chi-restraints excluded: chain A residue 1241 SER Chi-restraints excluded: chain A residue 1242 LEU Chi-restraints excluded: chain A residue 1255 TYR Chi-restraints excluded: chain A residue 1260 MET Chi-restraints excluded: chain A residue 1266 THR Chi-restraints excluded: chain A residue 1574 PRO 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 1608 MET Chi-restraints excluded: chain A residue 1612 PHE Chi-restraints excluded: chain A residue 1635 THR Chi-restraints excluded: chain A residue 1637 MET Chi-restraints excluded: chain A residue 1639 LEU Chi-restraints excluded: chain A residue 1647 CYS Chi-restraints excluded: chain A residue 1648 MET Chi-restraints excluded: chain A residue 1652 GLU Chi-restraints excluded: chain A residue 1653 LEU Chi-restraints excluded: chain A residue 1654 SER Chi-restraints excluded: chain A residue 1655 GLU Chi-restraints excluded: chain A residue 1656 ARG Chi-restraints excluded: chain A residue 1664 SER Chi-restraints excluded: chain A residue 1666 THR Chi-restraints excluded: chain A residue 1671 ARG Chi-restraints excluded: chain A residue 1681 VAL Chi-restraints excluded: chain A residue 1687 SER Chi-restraints excluded: chain A residue 1693 GLN Chi-restraints excluded: chain A residue 1695 LEU Chi-restraints excluded: chain A residue 1700 ASP Chi-restraints excluded: chain A residue 1702 HIS Chi-restraints excluded: chain A residue 1706 PRO Chi-restraints excluded: chain A residue 1714 LEU Chi-restraints excluded: chain A residue 1716 ILE Chi-restraints excluded: chain A residue 1717 SER Chi-restraints excluded: chain A residue 1720 LEU Chi-restraints excluded: chain A residue 1721 GLU Chi-restraints excluded: chain A residue 1724 CYS Chi-restraints excluded: chain A residue 1727 ARG Chi-restraints excluded: chain A residue 1729 SER Chi-restraints excluded: chain A residue 1730 MET Chi-restraints excluded: chain A residue 1731 LEU Chi-restraints excluded: chain A residue 1733 GLU Chi-restraints excluded: chain A residue 1736 VAL Chi-restraints excluded: chain A residue 1739 THR Chi-restraints excluded: chain A residue 1742 THR Chi-restraints excluded: chain A residue 1745 ILE Chi-restraints excluded: chain A residue 1765 VAL Chi-restraints excluded: chain A residue 1769 THR Chi-restraints excluded: chain A residue 1770 SER Chi-restraints excluded: chain A residue 1771 LEU Chi-restraints excluded: chain A residue 1797 ARG Chi-restraints excluded: chain A residue 1798 LEU Chi-restraints excluded: chain A residue 1802 ILE Chi-restraints excluded: chain A residue 1817 GLU Chi-restraints excluded: chain A residue 1830 VAL Chi-restraints excluded: chain A residue 1833 SER Chi-restraints excluded: chain A residue 1834 VAL Chi-restraints excluded: chain A residue 1845 VAL Chi-restraints excluded: chain A residue 1847 THR Chi-restraints excluded: chain A residue 1850 VAL Chi-restraints excluded: chain A residue 1862 ILE Chi-restraints excluded: chain A residue 1865 MET Chi-restraints excluded: chain A residue 1934 SER Chi-restraints excluded: chain A residue 1935 VAL Chi-restraints excluded: chain A residue 1947 CYS Chi-restraints excluded: chain A residue 1950 GLU Chi-restraints excluded: chain A residue 1953 HIS Chi-restraints excluded: chain A residue 1955 VAL Chi-restraints excluded: chain A residue 1963 GLU Chi-restraints excluded: chain A residue 1965 TYR Chi-restraints excluded: chain A residue 1969 LEU Chi-restraints excluded: chain A residue 1973 GLN Chi-restraints excluded: chain A residue 1980 LEU Chi-restraints excluded: chain A residue 2006 ILE Chi-restraints excluded: chain A residue 2010 LEU Chi-restraints excluded: chain A residue 2011 HIS Chi-restraints excluded: chain A residue 2027 ILE Chi-restraints excluded: chain A residue 2031 LEU Chi-restraints excluded: chain A residue 2032 GLN Chi-restraints excluded: chain A residue 2039 LEU Chi-restraints excluded: chain A residue 2041 HIS Chi-restraints excluded: chain A residue 2097 LEU Chi-restraints excluded: chain A residue 2098 VAL Chi-restraints excluded: chain A residue 2099 SER Chi-restraints excluded: chain A residue 2103 VAL Chi-restraints excluded: chain A residue 2117 VAL Chi-restraints excluded: chain A residue 2122 SER Chi-restraints excluded: chain A residue 2125 HIS Chi-restraints excluded: chain A residue 2126 ARG Chi-restraints excluded: chain A residue 2128 TYR Chi-restraints excluded: chain A residue 2140 ARG Chi-restraints excluded: chain A residue 2148 SER Chi-restraints excluded: chain A residue 2152 THR Chi-restraints excluded: chain A residue 2162 ILE Chi-restraints excluded: chain A residue 2164 SER Chi-restraints excluded: chain A residue 2166 LEU Chi-restraints excluded: chain A residue 2167 ILE Chi-restraints excluded: chain A residue 2170 MET Chi-restraints excluded: chain A residue 2172 PRO Chi-restraints excluded: chain A residue 2187 ASN Chi-restraints excluded: chain A residue 2191 PHE Chi-restraints excluded: chain A residue 2192 TYR Chi-restraints excluded: chain A residue 2194 HIS Chi-restraints excluded: chain A residue 2198 MET Chi-restraints excluded: chain A residue 2203 MET Chi-restraints excluded: chain A residue 2210 VAL Chi-restraints excluded: chain A residue 2215 LEU Chi-restraints excluded: chain A residue 2223 ILE Chi-restraints excluded: chain A residue 2240 CYS Chi-restraints excluded: chain A residue 2243 SER Chi-restraints excluded: chain A residue 2245 GLN Chi-restraints excluded: chain A residue 2246 ASN Chi-restraints excluded: chain A residue 2249 SER Chi-restraints excluded: chain A residue 2253 HIS Chi-restraints excluded: chain A residue 2273 LEU Chi-restraints excluded: chain A residue 2274 ASP Chi-restraints excluded: chain A residue 2275 VAL Chi-restraints excluded: chain A residue 2279 SER Chi-restraints excluded: chain A residue 2281 ILE Chi-restraints excluded: chain A residue 2286 LEU Chi-restraints excluded: chain A residue 2290 LEU Chi-restraints excluded: chain A residue 2291 GLN Chi-restraints excluded: chain A residue 2292 GLU Chi-restraints excluded: chain A residue 2299 VAL Chi-restraints excluded: chain A residue 2300 SER Chi-restraints excluded: chain A residue 2301 TYR Chi-restraints excluded: chain A residue 2302 LEU Chi-restraints excluded: chain A residue 2336 ARG Chi-restraints excluded: chain A residue 2339 VAL Chi-restraints excluded: chain A residue 2341 VAL Chi-restraints excluded: chain A residue 2364 PHE Chi-restraints excluded: chain A residue 2418 LEU Chi-restraints excluded: chain A residue 2420 HIS Chi-restraints excluded: chain A residue 2438 PRO Chi-restraints excluded: chain A residue 2442 LEU Chi-restraints excluded: chain A residue 2443 ILE Chi-restraints excluded: chain A residue 2451 LEU Chi-restraints excluded: chain A residue 2456 ILE Chi-restraints excluded: chain A residue 2457 LEU Chi-restraints excluded: chain A residue 2458 ARG Chi-restraints excluded: chain A residue 2460 LEU Chi-restraints excluded: chain A residue 2470 ILE Chi-restraints excluded: chain A residue 2472 LEU Chi-restraints excluded: chain A residue 2742 THR Chi-restraints excluded: chain A residue 2752 ASP Chi-restraints excluded: chain A residue 2758 PHE Chi-restraints excluded: chain A residue 2762 THR Chi-restraints excluded: chain A residue 2777 TYR Chi-restraints excluded: chain A residue 2779 GLU Chi-restraints excluded: chain A residue 2806 ARG Chi-restraints excluded: chain A residue 2807 TRP Chi-restraints excluded: chain A residue 2811 GLU Chi-restraints excluded: chain A residue 2812 SER Chi-restraints excluded: chain A residue 2869 ARG Chi-restraints excluded: chain A residue 2872 GLN Chi-restraints excluded: chain A residue 2882 TYR Chi-restraints excluded: chain A residue 2883 HIS Chi-restraints excluded: chain A residue 2889 LYS Chi-restraints excluded: chain A residue 2892 GLN Chi-restraints excluded: chain A residue 2894 LEU Chi-restraints excluded: chain A residue 2895 GLU Chi-restraints excluded: chain A residue 2901 THR Chi-restraints excluded: chain A residue 2906 VAL Chi-restraints excluded: chain A residue 2912 THR Chi-restraints excluded: chain A residue 2932 MET Chi-restraints excluded: chain A residue 3641 LEU Chi-restraints excluded: chain A residue 3642 TYR Chi-restraints excluded: chain A residue 3643 ASN Chi-restraints excluded: chain A residue 3647 HIS Chi-restraints excluded: chain A residue 3648 ARG Chi-restraints excluded: chain A residue 3656 SER Chi-restraints excluded: chain A residue 3657 TYR Chi-restraints excluded: chain A residue 3658 LYS Chi-restraints excluded: chain A residue 3661 TRP Chi-restraints excluded: chain A residue 3663 LEU Chi-restraints excluded: chain A residue 3664 THR Chi-restraints excluded: chain A residue 3669 PHE Chi-restraints excluded: chain A residue 3672 ARG Chi-restraints excluded: chain A residue 3674 ILE Chi-restraints excluded: chain A residue 3678 SER Chi-restraints excluded: chain A residue 3696 ASP Chi-restraints excluded: chain A residue 3703 LEU Chi-restraints excluded: chain A residue 3706 SER Chi-restraints excluded: chain A residue 3708 THR Chi-restraints excluded: chain A residue 3710 LEU Chi-restraints excluded: chain A residue 3711 THR Chi-restraints excluded: chain A residue 3712 GLU Chi-restraints excluded: chain A residue 3727 ASP Chi-restraints excluded: chain A residue 3733 CYS Chi-restraints excluded: chain A residue 3751 VAL Chi-restraints excluded: chain A residue 3752 SER Chi-restraints excluded: chain A residue 3753 PHE Chi-restraints excluded: chain A residue 3761 GLN Chi-restraints excluded: chain A residue 3762 ARG Chi-restraints excluded: chain A residue 3764 LEU Chi-restraints excluded: chain A residue 3768 SER Chi-restraints excluded: chain A residue 3790 THR Chi-restraints excluded: chain A residue 3794 VAL Chi-restraints excluded: chain A residue 3795 SER Chi-restraints excluded: chain A residue 3803 SER Chi-restraints excluded: chain A residue 3804 ILE Chi-restraints excluded: chain A residue 3805 LEU Chi-restraints excluded: chain A residue 3809 ASN Chi-restraints excluded: chain A residue 3822 ASP Chi-restraints excluded: chain A residue 3825 GLU Chi-restraints excluded: chain A residue 3830 GLN Chi-restraints excluded: chain A residue 3835 LEU Chi-restraints excluded: chain A residue 3836 MET Chi-restraints excluded: chain A residue 3838 THR Chi-restraints excluded: chain A residue 3842 LEU Chi-restraints excluded: chain A residue 3886 ARG Chi-restraints excluded: chain A residue 3890 LEU Chi-restraints excluded: chain A residue 3892 CYS Chi-restraints excluded: chain A residue 3899 PHE Chi-restraints excluded: chain A residue 3905 THR Chi-restraints excluded: chain A residue 3907 THR Chi-restraints excluded: chain A residue 3910 THR Chi-restraints excluded: chain A residue 3911 THR Chi-restraints excluded: chain A residue 3913 ILE Chi-restraints excluded: chain A residue 3919 THR Chi-restraints excluded: chain A residue 3920 VAL Chi-restraints excluded: chain A residue 3930 ILE Chi-restraints excluded: chain A residue 3938 SER Chi-restraints excluded: chain A residue 3950 ASN Chi-restraints excluded: chain A residue 3952 SER Chi-restraints excluded: chain A residue 3964 SER Chi-restraints excluded: chain A residue 3966 THR Chi-restraints excluded: chain A residue 3973 CYS Chi-restraints excluded: chain A residue 3974 THR Chi-restraints excluded: chain A residue 3979 SER Chi-restraints excluded: chain A residue 3984 ARG Chi-restraints excluded: chain A residue 4021 LYS Chi-restraints excluded: chain A residue 4035 VAL Chi-restraints excluded: chain A residue 4040 ILE Chi-restraints excluded: chain A residue 4045 VAL Chi-restraints excluded: chain A residue 4052 SER Chi-restraints excluded: chain A residue 4053 SER Chi-restraints excluded: chain A residue 4054 ASN Chi-restraints excluded: chain A residue 4066 LEU Chi-restraints excluded: chain A residue 4071 ILE Chi-restraints excluded: chain A residue 4072 VAL Chi-restraints excluded: chain A residue 4074 SER Chi-restraints excluded: chain A residue 4078 GLN Chi-restraints excluded: chain A residue 4081 VAL Chi-restraints excluded: chain A residue 4082 THR Chi-restraints excluded: chain A residue 4083 ASP Chi-restraints excluded: chain A residue 4088 ILE Chi-restraints excluded: chain A residue 4092 ASP Chi-restraints excluded: chain A residue 4097 MET Chi-restraints excluded: chain A residue 4098 ASP Chi-restraints excluded: chain A residue 4100 GLN Chi-restraints excluded: chain A residue 4102 GLN Chi-restraints excluded: chain A residue 4104 THR Chi-restraints excluded: chain A residue 4108 ILE Chi-restraints excluded: chain A residue 4113 SER Chi-restraints excluded: chain A residue 4114 CYS Chi-restraints excluded: chain A residue 4115 SER Chi-restraints excluded: chain A residue 4116 GLU Chi-restraints excluded: chain A residue 4118 ASP Chi-restraints excluded: chain A residue 4119 GLU 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 4132 PHE Chi-restraints excluded: chain A residue 4142 ASN Chi-restraints excluded: chain A residue 4151 SER Chi-restraints excluded: chain A residue 4152 GLU Chi-restraints excluded: chain A residue 4161 ARG Chi-restraints excluded: chain A residue 4166 LEU Chi-restraints excluded: chain A residue 4168 GLU Chi-restraints excluded: chain A residue 4170 ILE Chi-restraints excluded: chain A residue 4182 GLU Chi-restraints excluded: chain A residue 4183 ILE Chi-restraints excluded: chain A residue 4187 SER Chi-restraints excluded: chain A residue 4190 ILE Chi-restraints excluded: chain A residue 4192 ARG Chi-restraints excluded: chain A residue 4197 ILE Chi-restraints excluded: chain A residue 4199 GLU Chi-restraints excluded: chain A residue 4205 TRP Chi-restraints excluded: chain A residue 4213 SER Chi-restraints excluded: chain A residue 4217 PHE Chi-restraints excluded: chain A residue 4221 VAL Chi-restraints excluded: chain A residue 4236 SER Chi-restraints excluded: chain A residue 4241 THR Chi-restraints excluded: chain A residue 4246 GLN Chi-restraints excluded: chain A residue 4251 ILE Chi-restraints excluded: chain A residue 4549 VAL Chi-restraints excluded: chain A residue 4552 LEU Chi-restraints excluded: chain A residue 4553 ASN Chi-restraints excluded: chain A residue 4561 THR Chi-restraints excluded: chain A residue 4562 LEU Chi-restraints excluded: chain A residue 4563 ARG Chi-restraints excluded: chain A residue 4569 LEU Chi-restraints excluded: chain A residue 4571 PHE Chi-restraints excluded: chain A residue 4573 ILE Chi-restraints excluded: chain A residue 4580 TYR Chi-restraints excluded: chain A residue 4628 VAL Chi-restraints excluded: chain A residue 4631 PHE Chi-restraints excluded: chain A residue 4632 LEU Chi-restraints excluded: chain A residue 4636 THR Chi-restraints excluded: chain A residue 4639 MET Chi-restraints excluded: chain A residue 4643 LEU Chi-restraints excluded: chain A residue 4647 SER Chi-restraints excluded: chain A residue 4648 LEU Chi-restraints excluded: chain A residue 4651 THR Chi-restraints excluded: chain A residue 4655 PHE Chi-restraints excluded: chain A residue 4670 ILE Chi-restraints excluded: chain A residue 4676 GLU Chi-restraints excluded: chain A residue 4681 LEU Chi-restraints excluded: chain A residue 4688 ILE Chi-restraints excluded: chain A residue 4695 ASP Chi-restraints excluded: chain A residue 4722 ARG Chi-restraints excluded: chain A residue 4723 LYS Chi-restraints excluded: chain A residue 4724 VAL Chi-restraints excluded: chain A residue 4728 HIS Chi-restraints excluded: chain A residue 4736 ARG Chi-restraints excluded: chain A residue 4741 LEU Chi-restraints excluded: chain A residue 4743 MET Chi-restraints excluded: chain A residue 4744 ASP Chi-restraints excluded: chain A residue 4751 THR Chi-restraints excluded: chain A residue 4765 LEU Chi-restraints excluded: chain A residue 4768 LEU Chi-restraints excluded: chain A residue 4770 SER Chi-restraints excluded: chain A residue 4773 VAL Chi-restraints excluded: chain A residue 4782 VAL Chi-restraints excluded: chain A residue 4788 SER Chi-restraints excluded: chain A residue 4797 VAL Chi-restraints excluded: chain A residue 4799 SER Chi-restraints excluded: chain A residue 4803 HIS Chi-restraints excluded: chain A residue 4804 TYR Chi-restraints excluded: chain A residue 4818 MET Chi-restraints excluded: chain A residue 4822 THR Chi-restraints excluded: chain A residue 4827 LEU Chi-restraints excluded: chain A residue 4828 SER Chi-restraints excluded: chain A residue 4831 THR Chi-restraints excluded: chain A residue 4840 THR Chi-restraints excluded: chain A residue 4852 THR Chi-restraints excluded: chain A residue 4856 PHE Chi-restraints excluded: chain A residue 4858 PHE Chi-restraints excluded: chain A residue 4860 ARG Chi-restraints excluded: chain A residue 4861 LYS Chi-restraints excluded: chain A residue 4865 LYS Chi-restraints excluded: chain A residue 4869 GLU Chi-restraints excluded: chain A residue 4870 ASP Chi-restraints excluded: chain A residue 4871 GLU Chi-restraints excluded: chain A residue 4873 ASP Chi-restraints excluded: chain A residue 4875 LYS Chi-restraints excluded: chain A residue 4879 MET Chi-restraints excluded: chain A residue 4881 THR Chi-restraints excluded: chain A residue 4887 MET Chi-restraints excluded: chain A residue 4888 TYR Chi-restraints excluded: chain A residue 4891 VAL Chi-restraints excluded: chain A residue 4910 GLU Chi-restraints excluded: chain A residue 4913 ARG Chi-restraints excluded: chain A residue 4915 VAL Chi-restraints excluded: chain A residue 4919 THR Chi-restraints excluded: chain A residue 4925 ILE Chi-restraints excluded: chain A residue 4928 LEU Chi-restraints excluded: chain A residue 4937 ILE Chi-restraints excluded: chain A residue 4938 ASP Chi-restraints excluded: chain A residue 4943 LEU Chi-restraints excluded: chain A residue 4947 GLN Chi-restraints excluded: chain A residue 4950 VAL Chi-restraints excluded: chain A residue 4952 GLU Chi-restraints excluded: chain A residue 4953 ASP Chi-restraints excluded: chain A residue 4957 LYS Chi-restraints excluded: chain A residue 4961 CYS Chi-restraints excluded: chain A residue 4963 ILE Chi-restraints excluded: chain A residue 4965 SER Chi-restraints excluded: chain A residue 4967 TYR Chi-restraints excluded: chain A residue 4970 THR Chi-restraints excluded: chain A residue 4971 THR Chi-restraints excluded: chain A residue 4973 HIS Chi-restraints excluded: chain A residue 4977 THR Chi-restraints excluded: chain A residue 4979 THR Chi-restraints excluded: chain A residue 4983 HIS Chi-restraints excluded: chain A residue 4985 LEU Chi-restraints excluded: chain A residue 4989 MET Chi-restraints excluded: chain A residue 4997 ASN Chi-restraints excluded: chain A residue 5001 THR Chi-restraints excluded: chain A residue 5008 SER Chi-restraints excluded: chain A residue 5016 GLU Chi-restraints excluded: chain A residue 5018 CYS Chi-restraints excluded: chain A residue 5020 ASP Chi-restraints excluded: chain A residue 5021 PHE Chi-restraints excluded: chain A residue 5030 LYS Chi-restraints excluded: chain A residue 5034 ASP Chi-restraints excluded: chain A residue 5036 LEU Chi-restraints excluded: chain A residue 5037 SER Chi-restraints excluded: chain C residue 13 PHE Chi-restraints excluded: chain C residue 15 ARG Chi-restraints excluded: chain C residue 17 ASP Chi-restraints excluded: chain C residue 20 VAL Chi-restraints excluded: chain C residue 21 VAL Chi-restraints excluded: chain C residue 24 CYS Chi-restraints excluded: chain C residue 28 VAL Chi-restraints excluded: chain C residue 37 LEU Chi-restraints excluded: chain C residue 49 LEU Chi-restraints excluded: chain C residue 50 GLU Chi-restraints excluded: chain C residue 57 ASN Chi-restraints excluded: chain C residue 58 VAL Chi-restraints excluded: chain C residue 64 ILE Chi-restraints excluded: chain C residue 68 THR Chi-restraints excluded: chain C residue 71 GLN Chi-restraints excluded: chain C residue 74 SER Chi-restraints excluded: chain C residue 75 VAL Chi-restraints excluded: chain C residue 80 GLU Chi-restraints excluded: chain C residue 81 MET Chi-restraints excluded: chain C residue 82 LEU Chi-restraints excluded: chain C residue 98 HIS Chi-restraints excluded: chain C residue 107 ILE Chi-restraints excluded: chain C residue 109 LEU Chi-restraints excluded: chain C residue 111 HIS Chi-restraints excluded: chain C residue 114 SER Chi-restraints excluded: chain C residue 115 ARG Chi-restraints excluded: chain C residue 119 SER Chi-restraints excluded: chain C residue 124 SER Chi-restraints excluded: chain C residue 131 LEU Chi-restraints excluded: chain C residue 138 GLN Chi-restraints excluded: chain C residue 144 GLU Chi-restraints excluded: chain C residue 149 THR Chi-restraints excluded: chain C residue 150 MET Chi-restraints excluded: chain C residue 151 HIS Chi-restraints excluded: chain C residue 154 SER Chi-restraints excluded: chain C residue 157 ARG Chi-restraints excluded: chain C residue 159 GLU Chi-restraints excluded: chain C residue 161 GLU Chi-restraints excluded: chain C residue 162 LYS Chi-restraints excluded: chain C residue 163 VAL Chi-restraints excluded: chain C residue 164 ARG Chi-restraints excluded: chain C residue 165 VAL Chi-restraints excluded: chain C residue 167 ASP Chi-restraints excluded: chain C residue 170 ILE Chi-restraints excluded: chain C residue 173 SER Chi-restraints excluded: chain C residue 174 VAL Chi-restraints excluded: chain C residue 189 LEU Chi-restraints excluded: chain C residue 192 ASP Chi-restraints excluded: chain C residue 194 SER Chi-restraints excluded: chain C residue 206 CYS Chi-restraints excluded: chain C residue 210 GLU Chi-restraints excluded: chain C residue 215 THR Chi-restraints excluded: chain C residue 219 VAL Chi-restraints excluded: chain C residue 222 LEU Chi-restraints excluded: chain C residue 226 HIS Chi-restraints excluded: chain C residue 229 GLU Chi-restraints excluded: chain C residue 232 THR Chi-restraints excluded: chain C residue 240 ASP Chi-restraints excluded: chain C residue 243 ARG Chi-restraints excluded: chain C residue 248 GLU Chi-restraints excluded: chain C residue 258 SER Chi-restraints excluded: chain C residue 260 TRP Chi-restraints excluded: chain C residue 261 ARG Chi-restraints excluded: chain C residue 262 LEU Chi-restraints excluded: chain C residue 267 ILE Chi-restraints excluded: chain C residue 268 SER Chi-restraints excluded: chain C residue 272 SER Chi-restraints excluded: chain C residue 275 ARG Chi-restraints excluded: chain C residue 276 TRP Chi-restraints excluded: chain C residue 278 GLN Chi-restraints excluded: chain C residue 281 ARG Chi-restraints excluded: chain C residue 285 VAL Chi-restraints excluded: chain C residue 286 THR Chi-restraints excluded: chain C residue 287 THR Chi-restraints excluded: chain C residue 299 LEU Chi-restraints excluded: chain C residue 300 VAL Chi-restraints excluded: chain C residue 302 VAL Chi-restraints excluded: chain C residue 303 ASP Chi-restraints excluded: chain C residue 306 LYS Chi-restraints excluded: chain C residue 312 THR Chi-restraints excluded: chain C residue 313 SER Chi-restraints excluded: chain C residue 320 LYS Chi-restraints excluded: chain C residue 343 GLU Chi-restraints excluded: chain C residue 345 LEU Chi-restraints excluded: chain C residue 348 VAL Chi-restraints excluded: chain C residue 357 LEU Chi-restraints excluded: chain C residue 358 THR Chi-restraints excluded: chain C residue 359 TYR Chi-restraints excluded: chain C residue 373 LYS Chi-restraints excluded: chain C residue 381 GLU Chi-restraints excluded: chain C residue 388 LEU Chi-restraints excluded: chain C residue 389 PHE Chi-restraints excluded: chain C residue 390 LEU Chi-restraints excluded: chain C residue 396 GLU Chi-restraints excluded: chain C residue 398 SER Chi-restraints excluded: chain C residue 416 LYS Chi-restraints excluded: chain C residue 419 ASP Chi-restraints excluded: chain C residue 420 SER Chi-restraints excluded: chain C residue 422 SER Chi-restraints excluded: chain C residue 424 LYS Chi-restraints excluded: chain C residue 436 LEU Chi-restraints excluded: chain C residue 444 SER Chi-restraints excluded: chain C residue 453 GLU Chi-restraints excluded: chain C residue 455 PRO Chi-restraints excluded: chain C residue 456 SER Chi-restraints excluded: chain C residue 457 GLU Chi-restraints excluded: chain C residue 459 LEU Chi-restraints excluded: chain C residue 469 ARG Chi-restraints excluded: chain C residue 470 SER Chi-restraints excluded: chain C residue 477 LEU Chi-restraints excluded: chain C residue 478 PHE Chi-restraints excluded: chain C residue 487 VAL Chi-restraints excluded: chain C residue 488 LEU Chi-restraints excluded: chain C residue 494 LEU Chi-restraints excluded: chain C residue 497 TYR Chi-restraints excluded: chain C residue 498 THR Chi-restraints excluded: chain C residue 499 THR Chi-restraints excluded: chain C residue 503 PHE Chi-restraints excluded: chain C residue 510 GLU Chi-restraints excluded: chain C residue 514 SER Chi-restraints excluded: chain C residue 521 LEU Chi-restraints excluded: chain C residue 524 GLU Chi-restraints excluded: chain C residue 534 ARG Chi-restraints excluded: chain C residue 537 CYS Chi-restraints excluded: chain C residue 542 THR Chi-restraints excluded: chain C residue 549 SER Chi-restraints excluded: chain C residue 553 ARG Chi-restraints excluded: chain C residue 554 LEU Chi-restraints excluded: chain C residue 557 SER Chi-restraints excluded: chain C residue 566 CYS Chi-restraints excluded: chain C residue 569 ILE Chi-restraints excluded: chain C residue 570 GLU Chi-restraints excluded: chain C residue 573 GLU Chi-restraints excluded: chain C residue 581 ASN Chi-restraints excluded: chain C residue 587 ILE Chi-restraints excluded: chain C residue 590 LEU Chi-restraints excluded: chain C residue 600 LEU Chi-restraints excluded: chain C residue 608 VAL Chi-restraints excluded: chain C residue 612 VAL Chi-restraints excluded: chain C residue 614 VAL Chi-restraints excluded: chain C residue 616 SER Chi-restraints excluded: chain C residue 622 THR Chi-restraints excluded: chain C residue 629 ARG Chi-restraints excluded: chain C residue 634 GLN Chi-restraints excluded: chain C residue 637 LEU Chi-restraints excluded: chain C residue 641 VAL Chi-restraints excluded: chain C residue 643 SER Chi-restraints excluded: chain C residue 648 ILE Chi-restraints excluded: chain C residue 650 VAL Chi-restraints excluded: chain C residue 652 ARG Chi-restraints excluded: chain C residue 659 TYR Chi-restraints excluded: chain C residue 661 LYS Chi-restraints excluded: chain C residue 662 TRP Chi-restraints excluded: chain C residue 663 TYR Chi-restraints excluded: chain C residue 668 VAL Chi-restraints excluded: chain C residue 669 ASP Chi-restraints excluded: chain C residue 671 VAL Chi-restraints excluded: chain C residue 675 LEU Chi-restraints excluded: chain C residue 680 THR Chi-restraints excluded: chain C residue 683 ARG Chi-restraints excluded: chain C residue 684 VAL Chi-restraints excluded: chain C residue 692 TYR Chi-restraints excluded: chain C residue 700 GLU Chi-restraints excluded: chain C residue 707 VAL Chi-restraints excluded: chain C residue 710 ASP Chi-restraints excluded: chain C residue 716 PHE Chi-restraints excluded: chain C residue 719 LEU Chi-restraints excluded: chain C residue 720 HIS Chi-restraints excluded: chain C residue 726 VAL Chi-restraints excluded: chain C residue 730 VAL Chi-restraints excluded: chain C residue 735 GLN Chi-restraints excluded: chain C residue 737 LEU Chi-restraints excluded: chain C residue 744 VAL Chi-restraints excluded: chain C residue 751 SER Chi-restraints excluded: chain C residue 752 VAL Chi-restraints excluded: chain C residue 754 SER Chi-restraints excluded: chain C residue 758 ARG Chi-restraints excluded: chain C residue 776 LEU Chi-restraints excluded: chain C residue 780 VAL Chi-restraints excluded: chain C residue 784 SER Chi-restraints excluded: chain C residue 787 VAL Chi-restraints excluded: chain C residue 788 LYS Chi-restraints excluded: chain C residue 791 PHE Chi-restraints excluded: chain C residue 793 LEU Chi-restraints excluded: chain C residue 800 PHE Chi-restraints excluded: chain C residue 803 LEU Chi-restraints excluded: chain C residue 811 CYS Chi-restraints excluded: chain C residue 812 HIS Chi-restraints excluded: chain C residue 831 ARG Chi-restraints excluded: chain C residue 835 ARG Chi-restraints excluded: chain C residue 840 VAL Chi-restraints excluded: chain C residue 850 ASP Chi-restraints excluded: chain C residue 867 LEU Chi-restraints excluded: chain C residue 868 GLU Chi-restraints excluded: chain C residue 869 ARG Chi-restraints excluded: chain C residue 870 ILE Chi-restraints excluded: chain C residue 887 ILE Chi-restraints excluded: chain C residue 891 TRP Chi-restraints excluded: chain C residue 893 TYR Chi-restraints excluded: chain C residue 907 LEU Chi-restraints excluded: chain C residue 931 THR Chi-restraints excluded: chain C residue 939 VAL Chi-restraints excluded: chain C residue 951 LYS Chi-restraints excluded: chain C residue 974 HIS Chi-restraints excluded: chain C residue 978 THR Chi-restraints excluded: chain C residue 1034 SER Chi-restraints excluded: chain C residue 1036 ARG Chi-restraints excluded: chain C residue 1037 ASP Chi-restraints excluded: chain C residue 1044 ARG Chi-restraints excluded: chain C residue 1046 LEU Chi-restraints excluded: chain C residue 1076 ARG Chi-restraints excluded: chain C residue 1079 LYS Chi-restraints excluded: chain C residue 1080 SER Chi-restraints excluded: chain C residue 1082 THR Chi-restraints excluded: chain C residue 1083 VAL Chi-restraints excluded: chain C residue 1099 GLU Chi-restraints excluded: chain C residue 1102 VAL Chi-restraints excluded: chain C residue 1110 ARG Chi-restraints excluded: chain C residue 1112 ASP Chi-restraints excluded: chain C residue 1113 VAL Chi-restraints excluded: chain C residue 1120 LEU Chi-restraints excluded: chain C residue 1123 VAL Chi-restraints excluded: chain C residue 1133 HIS Chi-restraints excluded: chain C residue 1134 LEU Chi-restraints excluded: chain C residue 1139 PHE Chi-restraints excluded: chain C residue 1141 ARG Chi-restraints excluded: chain C residue 1148 VAL Chi-restraints excluded: chain C residue 1149 VAL 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 1159 THR Chi-restraints excluded: chain C residue 1164 LEU Chi-restraints excluded: chain C residue 1179 PHE Chi-restraints excluded: chain C residue 1184 ILE Chi-restraints excluded: chain C residue 1191 VAL Chi-restraints excluded: chain C residue 1193 SER Chi-restraints excluded: chain C residue 1198 GLN Chi-restraints excluded: chain C residue 1201 HIS 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 1210 SER Chi-restraints excluded: chain C residue 1214 PHE Chi-restraints excluded: chain C residue 1230 MET Chi-restraints excluded: chain C residue 1232 ARG Chi-restraints excluded: chain C residue 1234 VAL Chi-restraints excluded: chain C residue 1238 PHE Chi-restraints excluded: chain C residue 1239 SER Chi-restraints excluded: chain C residue 1241 SER Chi-restraints excluded: chain C residue 1242 LEU Chi-restraints excluded: chain C residue 1255 TYR Chi-restraints excluded: chain C residue 1260 MET Chi-restraints excluded: chain C residue 1266 THR Chi-restraints excluded: chain C residue 1574 PRO 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 1608 MET Chi-restraints excluded: chain C residue 1612 PHE Chi-restraints excluded: chain C residue 1630 CYS Chi-restraints excluded: chain C residue 1635 THR Chi-restraints excluded: chain C residue 1637 MET Chi-restraints excluded: chain C residue 1639 LEU Chi-restraints excluded: chain C residue 1647 CYS Chi-restraints excluded: chain C residue 1648 MET Chi-restraints excluded: chain C residue 1652 GLU Chi-restraints excluded: chain C residue 1653 LEU Chi-restraints excluded: chain C residue 1654 SER Chi-restraints excluded: chain C residue 1655 GLU Chi-restraints excluded: chain C residue 1656 ARG Chi-restraints excluded: chain C residue 1664 SER Chi-restraints excluded: chain C residue 1666 THR Chi-restraints excluded: chain C residue 1671 ARG Chi-restraints excluded: chain C residue 1681 VAL Chi-restraints excluded: chain C residue 1687 SER Chi-restraints excluded: chain C residue 1689 VAL Chi-restraints excluded: chain C residue 1693 GLN Chi-restraints excluded: chain C residue 1695 LEU Chi-restraints excluded: chain C residue 1700 ASP Chi-restraints excluded: chain C residue 1702 HIS Chi-restraints excluded: chain C residue 1703 LEU Chi-restraints excluded: chain C residue 1706 PRO Chi-restraints excluded: chain C residue 1714 LEU Chi-restraints excluded: chain C residue 1716 ILE Chi-restraints excluded: chain C residue 1717 SER Chi-restraints excluded: chain C residue 1720 LEU Chi-restraints excluded: chain C residue 1721 GLU Chi-restraints excluded: chain C residue 1724 CYS Chi-restraints excluded: chain C residue 1727 ARG Chi-restraints excluded: chain C residue 1730 MET Chi-restraints excluded: chain C residue 1731 LEU Chi-restraints excluded: chain C residue 1733 GLU Chi-restraints excluded: chain C residue 1736 VAL Chi-restraints excluded: chain C residue 1739 THR Chi-restraints excluded: chain C residue 1742 THR Chi-restraints excluded: chain C residue 1745 ILE Chi-restraints excluded: chain C residue 1765 VAL Chi-restraints excluded: chain C residue 1769 THR Chi-restraints excluded: chain C residue 1770 SER Chi-restraints excluded: chain C residue 1771 LEU Chi-restraints excluded: chain C residue 1776 HIS Chi-restraints excluded: chain C residue 1778 SER Chi-restraints excluded: chain C residue 1786 LEU Chi-restraints excluded: chain C residue 1798 LEU Chi-restraints excluded: chain C residue 1802 ILE Chi-restraints excluded: chain C residue 1813 ARG Chi-restraints excluded: chain C residue 1817 GLU Chi-restraints excluded: chain C residue 1830 VAL Chi-restraints excluded: chain C residue 1833 SER Chi-restraints excluded: chain C residue 1834 VAL Chi-restraints excluded: chain C residue 1845 VAL Chi-restraints excluded: chain C residue 1847 THR Chi-restraints excluded: chain C residue 1850 VAL Chi-restraints excluded: chain C residue 1862 ILE Chi-restraints excluded: chain C residue 1865 MET Chi-restraints excluded: chain C residue 1935 VAL Chi-restraints excluded: chain C residue 1947 CYS Chi-restraints excluded: chain C residue 1950 GLU Chi-restraints excluded: chain C residue 1953 HIS Chi-restraints excluded: chain C residue 1955 VAL Chi-restraints excluded: chain C residue 1963 GLU Chi-restraints excluded: chain C residue 1965 TYR Chi-restraints excluded: chain C residue 1969 LEU Chi-restraints excluded: chain C residue 1973 GLN Chi-restraints excluded: chain C residue 1980 LEU Chi-restraints excluded: chain C residue 2006 ILE Chi-restraints excluded: chain C residue 2010 LEU Chi-restraints excluded: chain C residue 2011 HIS Chi-restraints excluded: chain C residue 2027 ILE Chi-restraints excluded: chain C residue 2031 LEU Chi-restraints excluded: chain C residue 2032 GLN Chi-restraints excluded: chain C residue 2035 HIS Chi-restraints excluded: chain C residue 2039 LEU Chi-restraints excluded: chain C residue 2041 HIS Chi-restraints excluded: chain C residue 2097 LEU Chi-restraints excluded: chain C residue 2098 VAL Chi-restraints excluded: chain C residue 2099 SER Chi-restraints excluded: chain C residue 2117 VAL Chi-restraints excluded: chain C residue 2122 SER Chi-restraints excluded: chain C residue 2126 ARG Chi-restraints excluded: chain C residue 2128 TYR Chi-restraints excluded: chain C residue 2148 SER Chi-restraints excluded: chain C residue 2152 THR Chi-restraints excluded: chain C residue 2162 ILE Chi-restraints excluded: chain C residue 2164 SER Chi-restraints excluded: chain C residue 2166 LEU Chi-restraints excluded: chain C residue 2167 ILE Chi-restraints excluded: chain C residue 2170 MET Chi-restraints excluded: chain C residue 2172 PRO Chi-restraints excluded: chain C residue 2187 ASN Chi-restraints excluded: chain C residue 2191 PHE Chi-restraints excluded: chain C residue 2192 TYR Chi-restraints excluded: chain C residue 2194 HIS Chi-restraints excluded: chain C residue 2198 MET Chi-restraints excluded: chain C residue 2203 MET Chi-restraints excluded: chain C residue 2210 VAL Chi-restraints excluded: chain C residue 2215 LEU Chi-restraints excluded: chain C residue 2223 ILE Chi-restraints excluded: chain C residue 2229 VAL Chi-restraints excluded: chain C residue 2240 CYS Chi-restraints excluded: chain C residue 2243 SER Chi-restraints excluded: chain C residue 2245 GLN Chi-restraints excluded: chain C residue 2246 ASN Chi-restraints excluded: chain C residue 2249 SER Chi-restraints excluded: chain C residue 2253 HIS Chi-restraints excluded: chain C residue 2273 LEU Chi-restraints excluded: chain C residue 2274 ASP Chi-restraints excluded: chain C residue 2275 VAL Chi-restraints excluded: chain C residue 2279 SER Chi-restraints excluded: chain C residue 2281 ILE Chi-restraints excluded: chain C residue 2286 LEU Chi-restraints excluded: chain C residue 2290 LEU Chi-restraints excluded: chain C residue 2291 GLN Chi-restraints excluded: chain C residue 2292 GLU Chi-restraints excluded: chain C residue 2299 VAL Chi-restraints excluded: chain C residue 2300 SER Chi-restraints excluded: chain C residue 2301 TYR Chi-restraints excluded: chain C residue 2302 LEU Chi-restraints excluded: chain C residue 2336 ARG Chi-restraints excluded: chain C residue 2339 VAL Chi-restraints excluded: chain C residue 2341 VAL Chi-restraints excluded: chain C residue 2358 ILE Chi-restraints excluded: chain C residue 2364 PHE Chi-restraints excluded: chain C residue 2418 LEU Chi-restraints excluded: chain C residue 2420 HIS Chi-restraints excluded: chain C residue 2438 PRO Chi-restraints excluded: chain C residue 2442 LEU Chi-restraints excluded: chain C residue 2443 ILE Chi-restraints excluded: chain C residue 2449 GLU Chi-restraints excluded: chain C residue 2451 LEU Chi-restraints excluded: chain C residue 2456 ILE Chi-restraints excluded: chain C residue 2457 LEU Chi-restraints excluded: chain C residue 2458 ARG Chi-restraints excluded: chain C residue 2460 LEU Chi-restraints excluded: chain C residue 2470 ILE Chi-restraints excluded: chain C residue 2742 THR Chi-restraints excluded: chain C residue 2752 ASP Chi-restraints excluded: chain C residue 2758 PHE Chi-restraints excluded: chain C residue 2761 TYR Chi-restraints excluded: chain C residue 2762 THR Chi-restraints excluded: chain C residue 2777 TYR Chi-restraints excluded: chain C residue 2779 GLU Chi-restraints excluded: chain C residue 2791 LEU Chi-restraints excluded: chain C residue 2806 ARG Chi-restraints excluded: chain C residue 2807 TRP Chi-restraints excluded: chain C residue 2809 ILE Chi-restraints excluded: chain C residue 2811 GLU Chi-restraints excluded: chain C residue 2812 SER Chi-restraints excluded: chain C residue 2869 ARG Chi-restraints excluded: chain C residue 2872 GLN Chi-restraints excluded: chain C residue 2882 TYR Chi-restraints excluded: chain C residue 2883 HIS Chi-restraints excluded: chain C residue 2884 ASN Chi-restraints excluded: chain C residue 2892 GLN Chi-restraints excluded: chain C residue 2894 LEU Chi-restraints excluded: chain C residue 2895 GLU Chi-restraints excluded: chain C residue 2901 THR Chi-restraints excluded: chain C residue 2906 VAL Chi-restraints excluded: chain C residue 2912 THR Chi-restraints excluded: chain C residue 2928 LYS Chi-restraints excluded: chain C residue 2932 MET Chi-restraints excluded: chain C residue 3641 LEU Chi-restraints excluded: chain C residue 3642 TYR Chi-restraints excluded: chain C residue 3643 ASN Chi-restraints excluded: chain C residue 3647 HIS Chi-restraints excluded: chain C residue 3648 ARG Chi-restraints excluded: chain C residue 3656 SER Chi-restraints excluded: chain C residue 3657 TYR Chi-restraints excluded: chain C residue 3658 LYS Chi-restraints excluded: chain C residue 3661 TRP Chi-restraints excluded: chain C residue 3663 LEU Chi-restraints excluded: chain C residue 3669 PHE Chi-restraints excluded: chain C residue 3671 ASP Chi-restraints excluded: chain C residue 3673 MET Chi-restraints excluded: chain C residue 3674 ILE Chi-restraints excluded: chain C residue 3678 SER Chi-restraints excluded: chain C residue 3696 ASP Chi-restraints excluded: chain C residue 3703 LEU Chi-restraints excluded: chain C residue 3706 SER Chi-restraints excluded: chain C residue 3708 THR Chi-restraints excluded: chain C residue 3710 LEU Chi-restraints excluded: chain C residue 3711 THR Chi-restraints excluded: chain C residue 3712 GLU Chi-restraints excluded: chain C residue 3727 ASP Chi-restraints excluded: chain C residue 3733 CYS Chi-restraints excluded: chain C residue 3751 VAL Chi-restraints excluded: chain C residue 3752 SER Chi-restraints excluded: chain C residue 3753 PHE Chi-restraints excluded: chain C residue 3761 GLN Chi-restraints excluded: chain C residue 3762 ARG Chi-restraints excluded: chain C residue 3764 LEU Chi-restraints excluded: chain C residue 3768 SER Chi-restraints excluded: chain C residue 3790 THR Chi-restraints excluded: chain C residue 3794 VAL Chi-restraints excluded: chain C residue 3795 SER Chi-restraints excluded: chain C residue 3798 LEU Chi-restraints excluded: chain C residue 3803 SER Chi-restraints excluded: chain C residue 3804 ILE Chi-restraints excluded: chain C residue 3805 LEU Chi-restraints excluded: chain C residue 3809 ASN Chi-restraints excluded: chain C residue 3822 ASP Chi-restraints excluded: chain C residue 3825 GLU Chi-restraints excluded: chain C residue 3830 GLN Chi-restraints excluded: chain C residue 3835 LEU Chi-restraints excluded: chain C residue 3836 MET Chi-restraints excluded: chain C residue 3838 THR Chi-restraints excluded: chain C residue 3842 LEU Chi-restraints excluded: chain C residue 3886 ARG Chi-restraints excluded: chain C residue 3890 LEU Chi-restraints excluded: chain C residue 3892 CYS Chi-restraints excluded: chain C residue 3899 PHE Chi-restraints excluded: chain C residue 3905 THR Chi-restraints excluded: chain C residue 3907 THR Chi-restraints excluded: chain C residue 3910 THR Chi-restraints excluded: chain C residue 3911 THR Chi-restraints excluded: chain C residue 3913 ILE Chi-restraints excluded: chain C residue 3919 THR Chi-restraints excluded: chain C residue 3920 VAL Chi-restraints excluded: chain C residue 3930 ILE Chi-restraints excluded: chain C residue 3938 SER Chi-restraints excluded: chain C residue 3952 SER Chi-restraints excluded: chain C residue 3964 SER Chi-restraints excluded: chain C residue 3966 THR Chi-restraints excluded: chain C residue 3973 CYS Chi-restraints excluded: chain C residue 3974 THR Chi-restraints excluded: chain C residue 3979 SER Chi-restraints excluded: chain C residue 3984 ARG Chi-restraints excluded: chain C residue 3995 VAL Chi-restraints excluded: chain C residue 4001 MET Chi-restraints excluded: chain C residue 4021 LYS Chi-restraints excluded: chain C residue 4040 ILE Chi-restraints excluded: chain C residue 4052 SER Chi-restraints excluded: chain C residue 4053 SER Chi-restraints excluded: chain C residue 4054 ASN Chi-restraints excluded: chain C residue 4066 LEU Chi-restraints excluded: chain C residue 4071 ILE Chi-restraints excluded: chain C residue 4072 VAL Chi-restraints excluded: chain C residue 4074 SER Chi-restraints excluded: chain C residue 4078 GLN Chi-restraints excluded: chain C residue 4081 VAL 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 4092 ASP Chi-restraints excluded: chain C residue 4097 MET Chi-restraints excluded: chain C residue 4098 ASP Chi-restraints excluded: chain C residue 4100 GLN Chi-restraints excluded: chain C residue 4102 GLN Chi-restraints excluded: chain C residue 4104 THR Chi-restraints excluded: chain C residue 4108 ILE Chi-restraints excluded: chain C residue 4113 SER Chi-restraints excluded: chain C residue 4114 CYS Chi-restraints excluded: chain C residue 4116 GLU Chi-restraints excluded: chain C residue 4118 ASP Chi-restraints excluded: chain C residue 4119 GLU Chi-restraints excluded: chain C residue 4123 ILE Chi-restraints excluded: chain C residue 4127 GLU Chi-restraints excluded: chain C residue 4132 PHE Chi-restraints excluded: chain C residue 4142 ASN Chi-restraints excluded: chain C residue 4151 SER Chi-restraints excluded: chain C residue 4152 GLU Chi-restraints excluded: chain C residue 4157 ASP Chi-restraints excluded: chain C residue 4161 ARG Chi-restraints excluded: chain C residue 4166 LEU Chi-restraints excluded: chain C residue 4168 GLU Chi-restraints excluded: chain C residue 4170 ILE Chi-restraints excluded: chain C residue 4180 ARG Chi-restraints excluded: chain C residue 4182 GLU Chi-restraints excluded: chain C residue 4183 ILE Chi-restraints excluded: chain C residue 4187 SER Chi-restraints excluded: chain C residue 4190 ILE Chi-restraints excluded: chain C residue 4196 GLU Chi-restraints excluded: chain C residue 4197 ILE Chi-restraints excluded: chain C residue 4199 GLU Chi-restraints excluded: chain C residue 4205 TRP Chi-restraints excluded: chain C residue 4213 SER Chi-restraints excluded: chain C residue 4217 PHE Chi-restraints excluded: chain C residue 4221 VAL Chi-restraints excluded: chain C residue 4241 THR Chi-restraints excluded: chain C residue 4246 GLN Chi-restraints excluded: chain C residue 4251 ILE Chi-restraints excluded: chain C residue 4549 VAL Chi-restraints excluded: chain C residue 4552 LEU Chi-restraints excluded: chain C residue 4553 ASN Chi-restraints excluded: chain C residue 4561 THR Chi-restraints excluded: chain C residue 4562 LEU Chi-restraints excluded: chain C residue 4569 LEU Chi-restraints excluded: chain C residue 4571 PHE Chi-restraints excluded: chain C residue 4573 ILE Chi-restraints excluded: chain C residue 4579 PHE Chi-restraints excluded: chain C residue 4580 TYR Chi-restraints excluded: chain C residue 4628 VAL Chi-restraints excluded: chain C residue 4631 PHE Chi-restraints excluded: chain C residue 4632 LEU Chi-restraints excluded: chain C residue 4636 THR Chi-restraints excluded: chain C residue 4639 MET Chi-restraints excluded: chain C residue 4643 LEU Chi-restraints excluded: chain C residue 4648 LEU Chi-restraints excluded: chain C residue 4651 THR Chi-restraints excluded: chain C residue 4655 PHE Chi-restraints excluded: chain C residue 4670 ILE Chi-restraints excluded: chain C residue 4676 GLU Chi-restraints excluded: chain C residue 4681 LEU Chi-restraints excluded: chain C residue 4688 ILE Chi-restraints excluded: chain C residue 4694 ASP Chi-restraints excluded: chain C residue 4695 ASP Chi-restraints excluded: chain C residue 4723 LYS Chi-restraints excluded: chain C residue 4724 VAL Chi-restraints excluded: chain C residue 4728 HIS Chi-restraints excluded: chain C residue 4736 ARG Chi-restraints excluded: chain C residue 4741 LEU Chi-restraints excluded: chain C residue 4743 MET Chi-restraints excluded: chain C residue 4744 ASP Chi-restraints excluded: chain C residue 4751 THR Chi-restraints excluded: chain C residue 4765 LEU Chi-restraints excluded: chain C residue 4768 LEU Chi-restraints excluded: chain C residue 4770 SER Chi-restraints excluded: chain C residue 4773 VAL Chi-restraints excluded: chain C residue 4782 VAL Chi-restraints excluded: chain C residue 4788 SER Chi-restraints excluded: chain C residue 4797 VAL Chi-restraints excluded: chain C residue 4799 SER Chi-restraints excluded: chain C residue 4804 TYR Chi-restraints excluded: chain C residue 4818 MET Chi-restraints excluded: chain C residue 4822 THR Chi-restraints excluded: chain C residue 4828 SER Chi-restraints excluded: chain C residue 4831 THR Chi-restraints excluded: chain C residue 4840 THR Chi-restraints excluded: chain C residue 4852 THR Chi-restraints excluded: chain C residue 4856 PHE Chi-restraints excluded: chain C residue 4858 PHE Chi-restraints excluded: chain C residue 4861 LYS Chi-restraints excluded: chain C residue 4868 ASP Chi-restraints excluded: chain C residue 4870 ASP Chi-restraints excluded: chain C residue 4873 ASP Chi-restraints excluded: chain C residue 4879 MET Chi-restraints excluded: chain C residue 4881 THR Chi-restraints excluded: chain C residue 4884 LEU Chi-restraints excluded: chain C residue 4887 MET Chi-restraints excluded: chain C residue 4888 TYR Chi-restraints excluded: chain C residue 4891 VAL Chi-restraints excluded: chain C residue 4892 ARG Chi-restraints excluded: chain C residue 4910 GLU Chi-restraints excluded: chain C residue 4913 ARG Chi-restraints excluded: chain C residue 4915 VAL Chi-restraints excluded: chain C residue 4916 PHE Chi-restraints excluded: chain C residue 4917 ASP Chi-restraints excluded: chain C residue 4919 THR Chi-restraints excluded: chain C residue 4925 ILE Chi-restraints excluded: chain C residue 4928 LEU Chi-restraints excluded: chain C residue 4937 ILE Chi-restraints excluded: chain C residue 4938 ASP Chi-restraints excluded: chain C residue 4943 LEU Chi-restraints excluded: chain C residue 4947 GLN Chi-restraints excluded: chain C residue 4950 VAL Chi-restraints excluded: chain C residue 4952 GLU Chi-restraints excluded: chain C residue 4953 ASP 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 4963 ILE Chi-restraints excluded: chain C residue 4965 SER Chi-restraints excluded: chain C residue 4967 TYR Chi-restraints excluded: chain C residue 4970 THR Chi-restraints excluded: chain C residue 4971 THR Chi-restraints excluded: chain C residue 4973 HIS Chi-restraints excluded: chain C residue 4977 THR Chi-restraints excluded: chain C residue 4979 THR Chi-restraints excluded: chain C residue 4983 HIS Chi-restraints excluded: chain C residue 4985 LEU Chi-restraints excluded: chain C residue 4989 MET Chi-restraints excluded: chain C residue 4997 ASN Chi-restraints excluded: chain C residue 5001 THR Chi-restraints excluded: chain C residue 5008 SER Chi-restraints excluded: chain C residue 5016 GLU Chi-restraints excluded: chain C residue 5018 CYS Chi-restraints excluded: chain C residue 5020 ASP Chi-restraints excluded: chain C residue 5021 PHE Chi-restraints excluded: chain C residue 5030 LYS Chi-restraints excluded: chain C residue 5034 ASP Chi-restraints excluded: chain C residue 5036 LEU Chi-restraints excluded: chain C residue 5037 SER Chi-restraints excluded: chain D residue 17 ASP Chi-restraints excluded: chain D residue 20 VAL Chi-restraints excluded: chain D residue 21 VAL Chi-restraints excluded: chain D residue 24 CYS Chi-restraints excluded: chain D residue 28 VAL Chi-restraints excluded: chain D residue 37 LEU Chi-restraints excluded: chain D residue 49 LEU Chi-restraints excluded: chain D residue 50 GLU Chi-restraints excluded: chain D residue 57 ASN Chi-restraints excluded: chain D residue 58 VAL Chi-restraints excluded: chain D residue 64 ILE Chi-restraints excluded: chain D residue 68 THR Chi-restraints excluded: chain D residue 69 LEU Chi-restraints excluded: chain D residue 74 SER Chi-restraints excluded: chain D residue 75 VAL Chi-restraints excluded: chain D residue 80 GLU Chi-restraints excluded: chain D residue 81 MET Chi-restraints excluded: chain D residue 82 LEU Chi-restraints excluded: chain D residue 107 ILE Chi-restraints excluded: chain D residue 109 LEU Chi-restraints excluded: chain D residue 114 SER Chi-restraints excluded: chain D residue 119 SER Chi-restraints excluded: chain D residue 124 SER Chi-restraints excluded: chain D residue 131 LEU Chi-restraints excluded: chain D residue 138 GLN Chi-restraints excluded: chain D residue 144 GLU Chi-restraints excluded: chain D residue 149 THR Chi-restraints excluded: chain D residue 150 MET Chi-restraints excluded: chain D residue 151 HIS Chi-restraints excluded: chain D residue 154 SER Chi-restraints excluded: chain D residue 157 ARG Chi-restraints excluded: chain D residue 159 GLU Chi-restraints excluded: chain D residue 161 GLU Chi-restraints excluded: chain D residue 162 LYS Chi-restraints excluded: chain D residue 163 VAL Chi-restraints excluded: chain D residue 164 ARG Chi-restraints excluded: chain D residue 165 VAL Chi-restraints excluded: chain D residue 167 ASP Chi-restraints excluded: chain D residue 170 ILE Chi-restraints excluded: chain D residue 173 SER Chi-restraints excluded: chain D residue 174 VAL Chi-restraints excluded: chain D residue 177 GLU Chi-restraints excluded: chain D residue 192 ASP Chi-restraints excluded: chain D residue 194 SER Chi-restraints excluded: chain D residue 206 CYS Chi-restraints excluded: chain D residue 210 GLU Chi-restraints excluded: chain D residue 211 GLU Chi-restraints excluded: chain D residue 215 THR Chi-restraints excluded: chain D residue 219 VAL Chi-restraints excluded: chain D residue 222 LEU Chi-restraints excluded: chain D residue 226 HIS Chi-restraints excluded: chain D residue 229 GLU Chi-restraints excluded: chain D residue 232 THR Chi-restraints excluded: chain D residue 240 ASP Chi-restraints excluded: chain D residue 243 ARG Chi-restraints excluded: chain D residue 248 GLU Chi-restraints excluded: chain D residue 258 SER Chi-restraints excluded: chain D residue 260 TRP Chi-restraints excluded: chain D residue 261 ARG Chi-restraints excluded: chain D residue 262 LEU Chi-restraints excluded: chain D residue 267 ILE Chi-restraints excluded: chain D residue 268 SER Chi-restraints excluded: chain D residue 275 ARG Chi-restraints excluded: chain D residue 276 TRP Chi-restraints excluded: chain D residue 278 GLN Chi-restraints excluded: chain D residue 281 ARG Chi-restraints excluded: chain D residue 286 THR Chi-restraints excluded: chain D residue 287 THR Chi-restraints excluded: chain D residue 299 LEU Chi-restraints excluded: chain D residue 300 VAL Chi-restraints excluded: chain D residue 302 VAL Chi-restraints excluded: chain D residue 303 ASP Chi-restraints excluded: chain D residue 306 LYS Chi-restraints excluded: chain D residue 312 THR Chi-restraints excluded: chain D residue 313 SER Chi-restraints excluded: chain D residue 318 VAL Chi-restraints excluded: chain D residue 343 GLU Chi-restraints excluded: chain D residue 345 LEU Chi-restraints excluded: chain D residue 348 VAL Chi-restraints excluded: chain D residue 357 LEU Chi-restraints excluded: chain D residue 359 TYR Chi-restraints excluded: chain D residue 373 LYS Chi-restraints excluded: chain D residue 381 GLU Chi-restraints excluded: chain D residue 384 MET Chi-restraints excluded: chain D residue 389 PHE Chi-restraints excluded: chain D residue 390 LEU Chi-restraints excluded: chain D residue 396 GLU Chi-restraints excluded: chain D residue 398 SER Chi-restraints excluded: chain D residue 407 THR Chi-restraints excluded: chain D residue 419 ASP Chi-restraints excluded: chain D residue 420 SER Chi-restraints excluded: chain D residue 422 SER Chi-restraints excluded: chain D residue 424 LYS Chi-restraints excluded: chain D residue 436 LEU Chi-restraints excluded: chain D residue 444 SER Chi-restraints excluded: chain D residue 453 GLU Chi-restraints excluded: chain D residue 455 PRO Chi-restraints excluded: chain D residue 456 SER Chi-restraints excluded: chain D residue 457 GLU Chi-restraints excluded: chain D residue 459 LEU Chi-restraints excluded: chain D residue 469 ARG Chi-restraints excluded: chain D residue 470 SER Chi-restraints excluded: chain D residue 472 ARG Chi-restraints excluded: chain D residue 477 LEU Chi-restraints excluded: chain D residue 478 PHE Chi-restraints excluded: chain D residue 487 VAL Chi-restraints excluded: chain D residue 488 LEU Chi-restraints excluded: chain D residue 494 LEU Chi-restraints excluded: chain D residue 497 TYR Chi-restraints excluded: chain D residue 498 THR Chi-restraints excluded: chain D residue 499 THR Chi-restraints excluded: chain D residue 503 PHE Chi-restraints excluded: chain D residue 510 GLU Chi-restraints excluded: chain D residue 514 SER Chi-restraints excluded: chain D residue 521 LEU Chi-restraints excluded: chain D residue 526 LEU Chi-restraints excluded: chain D residue 534 ARG Chi-restraints excluded: chain D residue 537 CYS Chi-restraints excluded: chain D residue 542 THR Chi-restraints excluded: chain D residue 545 ASP Chi-restraints excluded: chain D residue 549 SER Chi-restraints excluded: chain D residue 553 ARG Chi-restraints excluded: chain D residue 554 LEU Chi-restraints excluded: chain D residue 557 SER Chi-restraints excluded: chain D residue 566 CYS Chi-restraints excluded: chain D residue 569 ILE Chi-restraints excluded: chain D residue 570 GLU Chi-restraints excluded: chain D residue 573 GLU Chi-restraints excluded: chain D residue 578 ILE Chi-restraints excluded: chain D residue 581 ASN Chi-restraints excluded: chain D residue 587 ILE Chi-restraints excluded: chain D residue 600 LEU Chi-restraints excluded: chain D residue 608 VAL Chi-restraints excluded: chain D residue 612 VAL Chi-restraints excluded: chain D residue 614 VAL Chi-restraints excluded: chain D residue 616 SER Chi-restraints excluded: chain D residue 622 THR Chi-restraints excluded: chain D residue 624 ASN Chi-restraints excluded: chain D residue 634 GLN Chi-restraints excluded: chain D residue 637 LEU Chi-restraints excluded: chain D residue 641 VAL Chi-restraints excluded: chain D residue 643 SER Chi-restraints excluded: chain D residue 648 ILE Chi-restraints excluded: chain D residue 650 VAL Chi-restraints excluded: chain D residue 659 TYR Chi-restraints excluded: chain D residue 662 TRP Chi-restraints excluded: chain D residue 663 TYR Chi-restraints excluded: chain D residue 668 VAL Chi-restraints excluded: chain D residue 669 ASP Chi-restraints excluded: chain D residue 671 VAL Chi-restraints excluded: chain D residue 675 LEU Chi-restraints excluded: chain D residue 680 THR Chi-restraints excluded: chain D residue 683 ARG Chi-restraints excluded: chain D residue 684 VAL Chi-restraints excluded: chain D residue 692 TYR Chi-restraints excluded: chain D residue 700 GLU Chi-restraints excluded: chain D residue 707 VAL Chi-restraints excluded: chain D residue 710 ASP Chi-restraints excluded: chain D residue 716 PHE Chi-restraints excluded: chain D residue 719 LEU Chi-restraints excluded: chain D residue 720 HIS Chi-restraints excluded: chain D residue 726 VAL Chi-restraints excluded: chain D residue 730 VAL Chi-restraints excluded: chain D residue 737 LEU Chi-restraints excluded: chain D residue 744 VAL Chi-restraints excluded: chain D residue 749 ASP Chi-restraints excluded: chain D residue 751 SER Chi-restraints excluded: chain D residue 752 VAL Chi-restraints excluded: chain D residue 754 SER Chi-restraints excluded: chain D residue 758 ARG Chi-restraints excluded: chain D residue 776 LEU Chi-restraints excluded: chain D residue 780 VAL Chi-restraints excluded: chain D residue 784 SER Chi-restraints excluded: chain D residue 787 VAL Chi-restraints excluded: chain D residue 788 LYS Chi-restraints excluded: chain D residue 791 PHE Chi-restraints excluded: chain D residue 793 LEU Chi-restraints excluded: chain D residue 800 PHE Chi-restraints excluded: chain D residue 803 LEU Chi-restraints excluded: chain D residue 812 HIS Chi-restraints excluded: chain D residue 818 ARG Chi-restraints excluded: chain D residue 831 ARG Chi-restraints excluded: chain D residue 835 ARG Chi-restraints excluded: chain D residue 840 VAL Chi-restraints excluded: chain D residue 850 ASP Chi-restraints excluded: chain D residue 858 THR Chi-restraints excluded: chain D residue 867 LEU Chi-restraints excluded: chain D residue 868 GLU Chi-restraints excluded: chain D residue 869 ARG Chi-restraints excluded: chain D residue 870 ILE Chi-restraints excluded: chain D residue 887 ILE Chi-restraints excluded: chain D residue 891 TRP Chi-restraints excluded: chain D residue 893 TYR Chi-restraints excluded: chain D residue 907 LEU Chi-restraints excluded: chain D residue 927 GLU Chi-restraints excluded: chain D residue 931 THR Chi-restraints excluded: chain D residue 939 VAL Chi-restraints excluded: chain D residue 974 HIS Chi-restraints excluded: chain D residue 978 THR Chi-restraints excluded: chain D residue 1034 SER Chi-restraints excluded: chain D residue 1036 ARG Chi-restraints excluded: chain D residue 1037 ASP Chi-restraints excluded: chain D residue 1044 ARG Chi-restraints excluded: chain D residue 1046 LEU Chi-restraints excluded: chain D residue 1079 LYS Chi-restraints excluded: chain D residue 1080 SER Chi-restraints excluded: chain D residue 1082 THR Chi-restraints excluded: chain D residue 1083 VAL Chi-restraints excluded: chain D residue 1099 GLU Chi-restraints excluded: chain D residue 1102 VAL Chi-restraints excluded: chain D residue 1110 ARG Chi-restraints excluded: chain D residue 1112 ASP Chi-restraints excluded: chain D residue 1113 VAL Chi-restraints excluded: chain D residue 1118 ASP Chi-restraints excluded: chain D residue 1120 LEU Chi-restraints excluded: chain D residue 1123 VAL Chi-restraints excluded: chain D residue 1133 HIS Chi-restraints excluded: chain D residue 1134 LEU Chi-restraints excluded: chain D residue 1139 PHE Chi-restraints excluded: chain D residue 1141 ARG Chi-restraints excluded: chain D residue 1148 VAL Chi-restraints excluded: chain D residue 1149 VAL 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 1159 THR Chi-restraints excluded: chain D residue 1164 LEU Chi-restraints excluded: chain D residue 1179 PHE Chi-restraints excluded: chain D residue 1184 ILE Chi-restraints excluded: chain D residue 1191 VAL Chi-restraints excluded: chain D residue 1193 SER Chi-restraints excluded: chain D residue 1198 GLN Chi-restraints excluded: chain D residue 1201 HIS 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 1210 SER Chi-restraints excluded: chain D residue 1214 PHE Chi-restraints excluded: chain D residue 1230 MET Chi-restraints excluded: chain D residue 1232 ARG Chi-restraints excluded: chain D residue 1234 VAL Chi-restraints excluded: chain D residue 1238 PHE Chi-restraints excluded: chain D residue 1239 SER Chi-restraints excluded: chain D residue 1241 SER Chi-restraints excluded: chain D residue 1242 LEU Chi-restraints excluded: chain D residue 1255 TYR Chi-restraints excluded: chain D residue 1260 MET Chi-restraints excluded: chain D residue 1266 THR Chi-restraints excluded: chain D residue 1574 PRO 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 1608 MET Chi-restraints excluded: chain D residue 1612 PHE Chi-restraints excluded: chain D residue 1630 CYS Chi-restraints excluded: chain D residue 1635 THR Chi-restraints excluded: chain D residue 1637 MET Chi-restraints excluded: chain D residue 1639 LEU Chi-restraints excluded: chain D residue 1647 CYS Chi-restraints excluded: chain D residue 1648 MET Chi-restraints excluded: chain D residue 1652 GLU Chi-restraints excluded: chain D residue 1653 LEU Chi-restraints excluded: chain D residue 1654 SER Chi-restraints excluded: chain D residue 1655 GLU Chi-restraints excluded: chain D residue 1657 LEU Chi-restraints excluded: chain D residue 1664 SER Chi-restraints excluded: chain D residue 1666 THR Chi-restraints excluded: chain D residue 1671 ARG Chi-restraints excluded: chain D residue 1681 VAL Chi-restraints excluded: chain D residue 1687 SER Chi-restraints excluded: chain D residue 1693 GLN Chi-restraints excluded: chain D residue 1695 LEU Chi-restraints excluded: chain D residue 1700 ASP Chi-restraints excluded: chain D residue 1702 HIS Chi-restraints excluded: chain D residue 1706 PRO Chi-restraints excluded: chain D residue 1714 LEU Chi-restraints excluded: chain D residue 1716 ILE Chi-restraints excluded: chain D residue 1717 SER Chi-restraints excluded: chain D residue 1720 LEU Chi-restraints excluded: chain D residue 1721 GLU Chi-restraints excluded: chain D residue 1724 CYS Chi-restraints excluded: chain D residue 1727 ARG Chi-restraints excluded: chain D residue 1730 MET Chi-restraints excluded: chain D residue 1731 LEU Chi-restraints excluded: chain D residue 1733 GLU Chi-restraints excluded: chain D residue 1736 VAL Chi-restraints excluded: chain D residue 1739 THR Chi-restraints excluded: chain D residue 1742 THR Chi-restraints excluded: chain D residue 1745 ILE Chi-restraints excluded: chain D residue 1765 VAL Chi-restraints excluded: chain D residue 1767 VAL Chi-restraints excluded: chain D residue 1769 THR Chi-restraints excluded: chain D residue 1770 SER Chi-restraints excluded: chain D residue 1771 LEU Chi-restraints excluded: chain D residue 1778 SER Chi-restraints excluded: chain D residue 1781 CYS Chi-restraints excluded: chain D residue 1802 ILE Chi-restraints excluded: chain D residue 1808 ARG Chi-restraints excluded: chain D residue 1813 ARG Chi-restraints excluded: chain D residue 1817 GLU Chi-restraints excluded: chain D residue 1830 VAL Chi-restraints excluded: chain D residue 1833 SER Chi-restraints excluded: chain D residue 1834 VAL Chi-restraints excluded: chain D residue 1845 VAL Chi-restraints excluded: chain D residue 1847 THR Chi-restraints excluded: chain D residue 1850 VAL Chi-restraints excluded: chain D residue 1862 ILE Chi-restraints excluded: chain D residue 1934 SER Chi-restraints excluded: chain D residue 1935 VAL Chi-restraints excluded: chain D residue 1947 CYS Chi-restraints excluded: chain D residue 1950 GLU Chi-restraints excluded: chain D residue 1953 HIS Chi-restraints excluded: chain D residue 1955 VAL Chi-restraints excluded: chain D residue 1963 GLU Chi-restraints excluded: chain D residue 1965 TYR Chi-restraints excluded: chain D residue 1969 LEU Chi-restraints excluded: chain D residue 1973 GLN Chi-restraints excluded: chain D residue 1980 LEU Chi-restraints excluded: chain D residue 2006 ILE Chi-restraints excluded: chain D residue 2010 LEU Chi-restraints excluded: chain D residue 2011 HIS Chi-restraints excluded: chain D residue 2027 ILE Chi-restraints excluded: chain D residue 2031 LEU Chi-restraints excluded: chain D residue 2032 GLN Chi-restraints excluded: chain D residue 2039 LEU Chi-restraints excluded: chain D residue 2041 HIS Chi-restraints excluded: chain D residue 2097 LEU Chi-restraints excluded: chain D residue 2098 VAL Chi-restraints excluded: chain D residue 2099 SER Chi-restraints excluded: chain D residue 2103 VAL Chi-restraints excluded: chain D residue 2117 VAL Chi-restraints excluded: chain D residue 2122 SER Chi-restraints excluded: chain D residue 2126 ARG Chi-restraints excluded: chain D residue 2128 TYR Chi-restraints excluded: chain D residue 2140 ARG Chi-restraints excluded: chain D residue 2148 SER Chi-restraints excluded: chain D residue 2152 THR Chi-restraints excluded: chain D residue 2162 ILE Chi-restraints excluded: chain D residue 2164 SER Chi-restraints excluded: chain D residue 2165 LEU Chi-restraints excluded: chain D residue 2166 LEU Chi-restraints excluded: chain D residue 2167 ILE Chi-restraints excluded: chain D residue 2170 MET Chi-restraints excluded: chain D residue 2172 PRO Chi-restraints excluded: chain D residue 2187 ASN Chi-restraints excluded: chain D residue 2191 PHE Chi-restraints excluded: chain D residue 2192 TYR Chi-restraints excluded: chain D residue 2194 HIS Chi-restraints excluded: chain D residue 2198 MET Chi-restraints excluded: chain D residue 2203 MET Chi-restraints excluded: chain D residue 2210 VAL Chi-restraints excluded: chain D residue 2215 LEU Chi-restraints excluded: chain D residue 2223 ILE Chi-restraints excluded: chain D residue 2229 VAL Chi-restraints excluded: chain D residue 2240 CYS Chi-restraints excluded: chain D residue 2243 SER Chi-restraints excluded: chain D residue 2245 GLN Chi-restraints excluded: chain D residue 2246 ASN Chi-restraints excluded: chain D residue 2249 SER Chi-restraints excluded: chain D residue 2253 HIS Chi-restraints excluded: chain D residue 2273 LEU Chi-restraints excluded: chain D residue 2274 ASP Chi-restraints excluded: chain D residue 2275 VAL Chi-restraints excluded: chain D residue 2279 SER Chi-restraints excluded: chain D residue 2281 ILE Chi-restraints excluded: chain D residue 2286 LEU Chi-restraints excluded: chain D residue 2290 LEU Chi-restraints excluded: chain D residue 2291 GLN Chi-restraints excluded: chain D residue 2292 GLU Chi-restraints excluded: chain D residue 2299 VAL Chi-restraints excluded: chain D residue 2300 SER Chi-restraints excluded: chain D residue 2301 TYR Chi-restraints excluded: chain D residue 2302 LEU Chi-restraints excluded: chain D residue 2319 PRO Chi-restraints excluded: chain D residue 2336 ARG Chi-restraints excluded: chain D residue 2339 VAL Chi-restraints excluded: chain D residue 2341 VAL Chi-restraints excluded: chain D residue 2342 ASN Chi-restraints excluded: chain D residue 2358 ILE Chi-restraints excluded: chain D residue 2364 PHE Chi-restraints excluded: chain D residue 2418 LEU Chi-restraints excluded: chain D residue 2420 HIS Chi-restraints excluded: chain D residue 2438 PRO Chi-restraints excluded: chain D residue 2442 LEU Chi-restraints excluded: chain D residue 2443 ILE Chi-restraints excluded: chain D residue 2449 GLU Chi-restraints excluded: chain D residue 2451 LEU Chi-restraints excluded: chain D residue 2456 ILE Chi-restraints excluded: chain D residue 2457 LEU Chi-restraints excluded: chain D residue 2458 ARG Chi-restraints excluded: chain D residue 2460 LEU Chi-restraints excluded: chain D residue 2470 ILE Chi-restraints excluded: chain D residue 2472 LEU Chi-restraints excluded: chain D residue 2742 THR Chi-restraints excluded: chain D residue 2752 ASP Chi-restraints excluded: chain D residue 2758 PHE Chi-restraints excluded: chain D residue 2761 TYR Chi-restraints excluded: chain D residue 2762 THR Chi-restraints excluded: chain D residue 2777 TYR Chi-restraints excluded: chain D residue 2779 GLU Chi-restraints excluded: chain D residue 2785 LEU Chi-restraints excluded: chain D residue 2791 LEU Chi-restraints excluded: chain D residue 2799 GLU Chi-restraints excluded: chain D residue 2806 ARG Chi-restraints excluded: chain D residue 2807 TRP Chi-restraints excluded: chain D residue 2812 SER Chi-restraints excluded: chain D residue 2869 ARG Chi-restraints excluded: chain D residue 2876 GLU Chi-restraints excluded: chain D residue 2878 LEU Chi-restraints excluded: chain D residue 2882 TYR Chi-restraints excluded: chain D residue 2883 HIS Chi-restraints excluded: chain D residue 2892 GLN Chi-restraints excluded: chain D residue 2894 LEU Chi-restraints excluded: chain D residue 2895 GLU Chi-restraints excluded: chain D residue 2901 THR Chi-restraints excluded: chain D residue 2912 THR Chi-restraints excluded: chain D residue 2932 MET Chi-restraints excluded: chain D residue 3641 LEU Chi-restraints excluded: chain D residue 3642 TYR Chi-restraints excluded: chain D residue 3643 ASN Chi-restraints excluded: chain D residue 3647 HIS Chi-restraints excluded: chain D residue 3648 ARG Chi-restraints excluded: chain D residue 3656 SER Chi-restraints excluded: chain D residue 3657 TYR Chi-restraints excluded: chain D residue 3658 LYS Chi-restraints excluded: chain D residue 3661 TRP Chi-restraints excluded: chain D residue 3663 LEU Chi-restraints excluded: chain D residue 3669 PHE Chi-restraints excluded: chain D residue 3671 ASP Chi-restraints excluded: chain D residue 3673 MET Chi-restraints excluded: chain D residue 3674 ILE Chi-restraints excluded: chain D residue 3678 SER Chi-restraints excluded: chain D residue 3696 ASP Chi-restraints excluded: chain D residue 3703 LEU Chi-restraints excluded: chain D residue 3706 SER Chi-restraints excluded: chain D residue 3707 ARG Chi-restraints excluded: chain D residue 3708 THR Chi-restraints excluded: chain D residue 3710 LEU Chi-restraints excluded: chain D residue 3711 THR Chi-restraints excluded: chain D residue 3712 GLU Chi-restraints excluded: chain D residue 3727 ASP Chi-restraints excluded: chain D residue 3733 CYS Chi-restraints excluded: chain D residue 3751 VAL Chi-restraints excluded: chain D residue 3752 SER Chi-restraints excluded: chain D residue 3753 PHE Chi-restraints excluded: chain D residue 3761 GLN Chi-restraints excluded: chain D residue 3762 ARG Chi-restraints excluded: chain D residue 3764 LEU Chi-restraints excluded: chain D residue 3765 TYR Chi-restraints excluded: chain D residue 3768 SER Chi-restraints excluded: chain D residue 3783 ILE Chi-restraints excluded: chain D residue 3790 THR Chi-restraints excluded: chain D residue 3794 VAL Chi-restraints excluded: chain D residue 3795 SER Chi-restraints excluded: chain D residue 3803 SER Chi-restraints excluded: chain D residue 3804 ILE Chi-restraints excluded: chain D residue 3805 LEU Chi-restraints excluded: chain D residue 3809 ASN Chi-restraints excluded: chain D residue 3822 ASP Chi-restraints excluded: chain D residue 3825 GLU Chi-restraints excluded: chain D residue 3830 GLN Chi-restraints excluded: chain D residue 3835 LEU Chi-restraints excluded: chain D residue 3836 MET Chi-restraints excluded: chain D residue 3838 THR Chi-restraints excluded: chain D residue 3842 LEU Chi-restraints excluded: chain D residue 3886 ARG Chi-restraints excluded: chain D residue 3890 LEU Chi-restraints excluded: chain D residue 3892 CYS Chi-restraints excluded: chain D residue 3893 GLU Chi-restraints excluded: chain D residue 3899 PHE Chi-restraints excluded: chain D residue 3905 THR Chi-restraints excluded: chain D residue 3907 THR Chi-restraints excluded: chain D residue 3910 THR Chi-restraints excluded: chain D residue 3911 THR Chi-restraints excluded: chain D residue 3913 ILE Chi-restraints excluded: chain D residue 3919 THR Chi-restraints excluded: chain D residue 3920 VAL Chi-restraints excluded: chain D residue 3930 ILE Chi-restraints excluded: chain D residue 3938 SER Chi-restraints excluded: chain D residue 3952 SER Chi-restraints excluded: chain D residue 3964 SER Chi-restraints excluded: chain D residue 3966 THR Chi-restraints excluded: chain D residue 3973 CYS Chi-restraints excluded: chain D residue 3974 THR Chi-restraints excluded: chain D residue 3979 SER Chi-restraints excluded: chain D residue 3984 ARG Chi-restraints excluded: chain D residue 3995 VAL Chi-restraints excluded: chain D residue 4001 MET Chi-restraints excluded: chain D residue 4021 LYS Chi-restraints excluded: chain D residue 4035 VAL Chi-restraints excluded: chain D residue 4040 ILE Chi-restraints excluded: chain D residue 4045 VAL Chi-restraints excluded: chain D residue 4052 SER Chi-restraints excluded: chain D residue 4053 SER Chi-restraints excluded: chain D residue 4054 ASN Chi-restraints excluded: chain D residue 4066 LEU Chi-restraints excluded: chain D residue 4071 ILE Chi-restraints excluded: chain D residue 4072 VAL Chi-restraints excluded: chain D residue 4074 SER Chi-restraints excluded: chain D residue 4081 VAL 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 4092 ASP Chi-restraints excluded: chain D residue 4097 MET Chi-restraints excluded: chain D residue 4098 ASP Chi-restraints excluded: chain D residue 4100 GLN Chi-restraints excluded: chain D residue 4102 GLN Chi-restraints excluded: chain D residue 4104 THR Chi-restraints excluded: chain D residue 4108 ILE Chi-restraints excluded: chain D residue 4113 SER Chi-restraints excluded: chain D residue 4114 CYS Chi-restraints excluded: chain D residue 4115 SER Chi-restraints excluded: chain D residue 4116 GLU Chi-restraints excluded: chain D residue 4118 ASP Chi-restraints excluded: chain D residue 4123 ILE Chi-restraints excluded: chain D residue 4127 GLU Chi-restraints excluded: chain D residue 4132 PHE Chi-restraints excluded: chain D residue 4142 ASN Chi-restraints excluded: chain D residue 4151 SER Chi-restraints excluded: chain D residue 4152 GLU Chi-restraints excluded: chain D residue 4161 ARG Chi-restraints excluded: chain D residue 4166 LEU Chi-restraints excluded: chain D residue 4168 GLU Chi-restraints excluded: chain D residue 4170 ILE Chi-restraints excluded: chain D residue 4180 ARG Chi-restraints excluded: chain D residue 4182 GLU Chi-restraints excluded: chain D residue 4183 ILE Chi-restraints excluded: chain D residue 4187 SER Chi-restraints excluded: chain D residue 4190 ILE Chi-restraints excluded: chain D residue 4197 ILE Chi-restraints excluded: chain D residue 4199 GLU Chi-restraints excluded: chain D residue 4205 TRP Chi-restraints excluded: chain D residue 4213 SER Chi-restraints excluded: chain D residue 4217 PHE Chi-restraints excluded: chain D residue 4221 VAL Chi-restraints excluded: chain D residue 4241 THR Chi-restraints excluded: chain D residue 4246 GLN Chi-restraints excluded: chain D residue 4251 ILE Chi-restraints excluded: chain D residue 4549 VAL Chi-restraints excluded: chain D residue 4552 LEU Chi-restraints excluded: chain D residue 4553 ASN Chi-restraints excluded: chain D residue 4556 SER Chi-restraints excluded: chain D residue 4561 THR Chi-restraints excluded: chain D residue 4562 LEU Chi-restraints excluded: chain D residue 4563 ARG Chi-restraints excluded: chain D residue 4569 LEU Chi-restraints excluded: chain D residue 4571 PHE Chi-restraints excluded: chain D residue 4573 ILE Chi-restraints excluded: chain D residue 4579 PHE Chi-restraints excluded: chain D residue 4580 TYR Chi-restraints excluded: chain D residue 4628 VAL Chi-restraints excluded: chain D residue 4631 PHE Chi-restraints excluded: chain D residue 4632 LEU Chi-restraints excluded: chain D residue 4639 MET Chi-restraints excluded: chain D residue 4643 LEU Chi-restraints excluded: chain D residue 4648 LEU Chi-restraints excluded: chain D residue 4651 THR Chi-restraints excluded: chain D residue 4655 PHE Chi-restraints excluded: chain D residue 4658 ILE Chi-restraints excluded: chain D residue 4670 ILE Chi-restraints excluded: chain D residue 4676 GLU Chi-restraints excluded: chain D residue 4682 GLU Chi-restraints excluded: chain D residue 4688 ILE Chi-restraints excluded: chain D residue 4695 ASP Chi-restraints excluded: chain D residue 4698 LYS Chi-restraints excluded: chain D residue 4723 LYS Chi-restraints excluded: chain D residue 4724 VAL Chi-restraints excluded: chain D residue 4728 HIS Chi-restraints excluded: chain D residue 4736 ARG Chi-restraints excluded: chain D residue 4741 LEU Chi-restraints excluded: chain D residue 4743 MET Chi-restraints excluded: chain D residue 4744 ASP Chi-restraints excluded: chain D residue 4751 THR Chi-restraints excluded: chain D residue 4765 LEU Chi-restraints excluded: chain D residue 4768 LEU Chi-restraints excluded: chain D residue 4770 SER Chi-restraints excluded: chain D residue 4773 VAL Chi-restraints excluded: chain D residue 4782 VAL Chi-restraints excluded: chain D residue 4788 SER Chi-restraints excluded: chain D residue 4796 MET Chi-restraints excluded: chain D residue 4797 VAL Chi-restraints excluded: chain D residue 4799 SER Chi-restraints excluded: chain D residue 4804 TYR Chi-restraints excluded: chain D residue 4816 ILE Chi-restraints excluded: chain D residue 4818 MET Chi-restraints excluded: chain D residue 4822 THR Chi-restraints excluded: chain D residue 4827 LEU Chi-restraints excluded: chain D residue 4828 SER Chi-restraints excluded: chain D residue 4831 THR Chi-restraints excluded: chain D residue 4840 THR Chi-restraints excluded: chain D residue 4852 THR Chi-restraints excluded: chain D residue 4856 PHE Chi-restraints excluded: chain D residue 4858 PHE Chi-restraints excluded: chain D residue 4860 ARG Chi-restraints excluded: chain D residue 4861 LYS Chi-restraints excluded: chain D residue 4868 ASP Chi-restraints excluded: chain D residue 4870 ASP Chi-restraints excluded: chain D residue 4873 ASP Chi-restraints excluded: chain D residue 4876 CYS Chi-restraints excluded: chain D residue 4879 MET Chi-restraints excluded: chain D residue 4881 THR Chi-restraints excluded: chain D residue 4884 LEU Chi-restraints excluded: chain D residue 4887 MET Chi-restraints excluded: chain D residue 4888 TYR Chi-restraints excluded: chain D residue 4891 VAL Chi-restraints excluded: chain D residue 4910 GLU Chi-restraints excluded: chain D residue 4915 VAL Chi-restraints excluded: chain D residue 4916 PHE Chi-restraints excluded: chain D residue 4917 ASP Chi-restraints excluded: chain D residue 4919 THR Chi-restraints excluded: chain D residue 4925 ILE Chi-restraints excluded: chain D residue 4928 LEU Chi-restraints excluded: chain D residue 4937 ILE Chi-restraints excluded: chain D residue 4938 ASP Chi-restraints excluded: chain D residue 4947 GLN Chi-restraints excluded: chain D residue 4950 VAL Chi-restraints excluded: chain D residue 4952 GLU Chi-restraints excluded: chain D residue 4953 ASP Chi-restraints excluded: chain D residue 4957 LYS Chi-restraints excluded: chain D residue 4961 CYS Chi-restraints excluded: chain D residue 4963 ILE Chi-restraints excluded: chain D residue 4965 SER Chi-restraints excluded: chain D residue 4967 TYR Chi-restraints excluded: chain D residue 4970 THR Chi-restraints excluded: chain D residue 4973 HIS Chi-restraints excluded: chain D residue 4977 THR Chi-restraints excluded: chain D residue 4979 THR Chi-restraints excluded: chain D residue 4983 HIS Chi-restraints excluded: chain D residue 4985 LEU Chi-restraints excluded: chain D residue 4989 MET Chi-restraints excluded: chain D residue 4997 ASN Chi-restraints excluded: chain D residue 5001 THR Chi-restraints excluded: chain D residue 5008 SER Chi-restraints excluded: chain D residue 5016 GLU Chi-restraints excluded: chain D residue 5018 CYS Chi-restraints excluded: chain D residue 5020 ASP Chi-restraints excluded: chain D residue 5021 PHE Chi-restraints excluded: chain D residue 5030 LYS Chi-restraints excluded: chain D residue 5034 ASP Chi-restraints excluded: chain D residue 5036 LEU Chi-restraints excluded: chain D residue 5037 SER Chi-restraints excluded: chain B residue 13 PHE Chi-restraints excluded: chain B residue 15 ARG Chi-restraints excluded: chain B residue 17 ASP Chi-restraints excluded: chain B residue 20 VAL Chi-restraints excluded: chain B residue 21 VAL Chi-restraints excluded: chain B residue 24 CYS Chi-restraints excluded: chain B residue 28 VAL Chi-restraints excluded: chain B residue 37 LEU Chi-restraints excluded: chain B residue 49 LEU Chi-restraints excluded: chain B residue 50 GLU Chi-restraints excluded: chain B residue 57 ASN Chi-restraints excluded: chain B residue 58 VAL Chi-restraints excluded: chain B residue 64 ILE Chi-restraints excluded: chain B residue 68 THR Chi-restraints excluded: chain B residue 74 SER Chi-restraints excluded: chain B residue 75 VAL Chi-restraints excluded: chain B residue 80 GLU Chi-restraints excluded: chain B residue 81 MET Chi-restraints excluded: chain B residue 82 LEU Chi-restraints excluded: chain B residue 98 HIS Chi-restraints excluded: chain B residue 107 ILE Chi-restraints excluded: chain B residue 114 SER Chi-restraints excluded: chain B residue 119 SER Chi-restraints excluded: chain B residue 124 SER Chi-restraints excluded: chain B residue 125 ARG Chi-restraints excluded: chain B residue 131 LEU Chi-restraints excluded: chain B residue 138 GLN Chi-restraints excluded: chain B residue 144 GLU Chi-restraints excluded: chain B residue 149 THR Chi-restraints excluded: chain B residue 150 MET Chi-restraints excluded: chain B residue 151 HIS Chi-restraints excluded: chain B residue 154 SER Chi-restraints excluded: chain B residue 159 GLU Chi-restraints excluded: chain B residue 161 GLU Chi-restraints excluded: chain B residue 162 LYS Chi-restraints excluded: chain B residue 163 VAL Chi-restraints excluded: chain B residue 164 ARG Chi-restraints excluded: chain B residue 165 VAL Chi-restraints excluded: chain B residue 167 ASP Chi-restraints excluded: chain B residue 170 ILE Chi-restraints excluded: chain B residue 173 SER Chi-restraints excluded: chain B residue 174 VAL Chi-restraints excluded: chain B residue 189 LEU Chi-restraints excluded: chain B residue 192 ASP Chi-restraints excluded: chain B residue 194 SER Chi-restraints excluded: chain B residue 206 CYS Chi-restraints excluded: chain B residue 210 GLU Chi-restraints excluded: chain B residue 211 GLU Chi-restraints excluded: chain B residue 215 THR Chi-restraints excluded: chain B residue 219 VAL Chi-restraints excluded: chain B residue 222 LEU Chi-restraints excluded: chain B residue 226 HIS Chi-restraints excluded: chain B residue 229 GLU Chi-restraints excluded: chain B residue 232 THR Chi-restraints excluded: chain B residue 240 ASP Chi-restraints excluded: chain B residue 243 ARG Chi-restraints excluded: chain B residue 248 GLU Chi-restraints excluded: chain B residue 258 SER Chi-restraints excluded: chain B residue 260 TRP Chi-restraints excluded: chain B residue 262 LEU Chi-restraints excluded: chain B residue 267 ILE 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 278 GLN Chi-restraints excluded: chain B residue 281 ARG Chi-restraints excluded: chain B residue 283 ARG Chi-restraints excluded: chain B residue 285 VAL Chi-restraints excluded: chain B residue 286 THR Chi-restraints excluded: chain B residue 287 THR Chi-restraints excluded: chain B residue 299 LEU Chi-restraints excluded: chain B residue 300 VAL Chi-restraints excluded: chain B residue 302 VAL Chi-restraints excluded: chain B residue 303 ASP Chi-restraints excluded: chain B residue 306 LYS Chi-restraints excluded: chain B residue 312 THR Chi-restraints excluded: chain B residue 313 SER Chi-restraints excluded: chain B residue 318 VAL Chi-restraints excluded: chain B residue 320 LYS Chi-restraints excluded: chain B residue 334 MET Chi-restraints excluded: chain B residue 343 GLU Chi-restraints excluded: chain B residue 345 LEU Chi-restraints excluded: chain B residue 348 VAL Chi-restraints excluded: chain B residue 357 LEU Chi-restraints excluded: chain B residue 358 THR Chi-restraints excluded: chain B residue 359 TYR Chi-restraints excluded: chain B residue 373 LYS Chi-restraints excluded: chain B residue 381 GLU Chi-restraints excluded: chain B residue 388 LEU Chi-restraints excluded: chain B residue 389 PHE Chi-restraints excluded: chain B residue 390 LEU Chi-restraints excluded: chain B residue 396 GLU Chi-restraints excluded: chain B residue 398 SER Chi-restraints excluded: chain B residue 416 LYS Chi-restraints excluded: chain B residue 419 ASP Chi-restraints excluded: chain B residue 420 SER Chi-restraints excluded: chain B residue 422 SER Chi-restraints excluded: chain B residue 424 LYS Chi-restraints excluded: chain B residue 436 LEU Chi-restraints excluded: chain B residue 444 SER Chi-restraints excluded: chain B residue 448 LEU Chi-restraints excluded: chain B residue 453 GLU Chi-restraints excluded: chain B residue 455 PRO Chi-restraints excluded: chain B residue 456 SER Chi-restraints excluded: chain B residue 457 GLU Chi-restraints excluded: chain B residue 459 LEU Chi-restraints excluded: chain B residue 469 ARG Chi-restraints excluded: chain B residue 470 SER Chi-restraints excluded: chain B residue 472 ARG Chi-restraints excluded: chain B residue 476 SER Chi-restraints excluded: chain B residue 477 LEU Chi-restraints excluded: chain B residue 478 PHE Chi-restraints excluded: chain B residue 483 MET Chi-restraints excluded: chain B residue 487 VAL Chi-restraints excluded: chain B residue 488 LEU Chi-restraints excluded: chain B residue 494 LEU Chi-restraints excluded: chain B residue 497 TYR Chi-restraints excluded: chain B residue 498 THR Chi-restraints excluded: chain B residue 499 THR Chi-restraints excluded: chain B residue 503 PHE Chi-restraints excluded: chain B residue 510 GLU Chi-restraints excluded: chain B residue 514 SER Chi-restraints excluded: chain B residue 517 GLU Chi-restraints excluded: chain B residue 521 LEU Chi-restraints excluded: chain B residue 526 LEU Chi-restraints excluded: chain B residue 534 ARG Chi-restraints excluded: chain B residue 537 CYS Chi-restraints excluded: chain B residue 542 THR Chi-restraints excluded: chain B residue 545 ASP Chi-restraints excluded: chain B residue 549 SER Chi-restraints excluded: chain B residue 553 ARG Chi-restraints excluded: chain B residue 557 SER Chi-restraints excluded: chain B residue 566 CYS Chi-restraints excluded: chain B residue 569 ILE Chi-restraints excluded: chain B residue 570 GLU Chi-restraints excluded: chain B residue 573 GLU Chi-restraints excluded: chain B residue 578 ILE Chi-restraints excluded: chain B residue 581 ASN Chi-restraints excluded: chain B residue 587 ILE Chi-restraints excluded: chain B residue 590 LEU Chi-restraints excluded: chain B residue 600 LEU Chi-restraints excluded: chain B residue 608 VAL Chi-restraints excluded: chain B residue 612 VAL Chi-restraints excluded: chain B residue 614 VAL Chi-restraints excluded: chain B residue 616 SER Chi-restraints excluded: chain B residue 622 THR Chi-restraints excluded: chain B residue 624 ASN Chi-restraints excluded: chain B residue 629 ARG Chi-restraints excluded: chain B residue 634 GLN Chi-restraints excluded: chain B residue 637 LEU Chi-restraints excluded: chain B residue 641 VAL Chi-restraints excluded: chain B residue 643 SER Chi-restraints excluded: chain B residue 648 ILE Chi-restraints excluded: chain B residue 650 VAL Chi-restraints excluded: chain B residue 659 TYR Chi-restraints excluded: chain B residue 662 TRP Chi-restraints excluded: chain B residue 663 TYR Chi-restraints excluded: chain B residue 668 VAL Chi-restraints excluded: chain B residue 669 ASP Chi-restraints excluded: chain B residue 671 VAL Chi-restraints excluded: chain B residue 675 LEU Chi-restraints excluded: chain B residue 680 THR Chi-restraints excluded: chain B residue 683 ARG Chi-restraints excluded: chain B residue 684 VAL Chi-restraints excluded: chain B residue 692 TYR Chi-restraints excluded: chain B residue 700 GLU Chi-restraints excluded: chain B residue 707 VAL Chi-restraints excluded: chain B residue 710 ASP Chi-restraints excluded: chain B residue 716 PHE Chi-restraints excluded: chain B residue 719 LEU Chi-restraints excluded: chain B residue 720 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 744 VAL Chi-restraints excluded: chain B residue 749 ASP Chi-restraints excluded: chain B residue 751 SER Chi-restraints excluded: chain B residue 752 VAL Chi-restraints excluded: chain B residue 754 SER Chi-restraints excluded: chain B residue 758 ARG Chi-restraints excluded: chain B residue 760 ASN Chi-restraints excluded: chain B residue 776 LEU Chi-restraints excluded: chain B residue 780 VAL Chi-restraints excluded: chain B residue 784 SER Chi-restraints excluded: chain B residue 787 VAL Chi-restraints excluded: chain B residue 788 LYS Chi-restraints excluded: chain B residue 791 PHE Chi-restraints excluded: chain B residue 793 LEU Chi-restraints excluded: chain B residue 800 PHE Chi-restraints excluded: chain B residue 803 LEU Chi-restraints excluded: chain B residue 812 HIS Chi-restraints excluded: chain B residue 820 ARG Chi-restraints excluded: chain B residue 831 ARG Chi-restraints excluded: chain B residue 835 ARG Chi-restraints excluded: chain B residue 840 VAL Chi-restraints excluded: chain B residue 850 ASP Chi-restraints excluded: chain B residue 857 ASP Chi-restraints excluded: chain B residue 867 LEU Chi-restraints excluded: chain B residue 868 GLU Chi-restraints excluded: chain B residue 869 ARG Chi-restraints excluded: chain B residue 870 ILE Chi-restraints excluded: chain B residue 887 ILE Chi-restraints excluded: chain B residue 891 TRP Chi-restraints excluded: chain B residue 893 TYR Chi-restraints excluded: chain B residue 907 LEU Chi-restraints excluded: chain B residue 913 LEU Chi-restraints excluded: chain B residue 927 GLU Chi-restraints excluded: chain B residue 944 GLU Chi-restraints excluded: chain B residue 974 HIS Chi-restraints excluded: chain B residue 978 THR Chi-restraints excluded: chain B residue 1034 SER Chi-restraints excluded: chain B residue 1036 ARG Chi-restraints excluded: chain B residue 1037 ASP Chi-restraints excluded: chain B residue 1044 ARG Chi-restraints excluded: chain B residue 1046 LEU Chi-restraints excluded: chain B residue 1076 ARG Chi-restraints excluded: chain B residue 1079 LYS Chi-restraints excluded: chain B residue 1080 SER Chi-restraints excluded: chain B residue 1082 THR Chi-restraints excluded: chain B residue 1083 VAL Chi-restraints excluded: chain B residue 1099 GLU Chi-restraints excluded: chain B residue 1102 VAL Chi-restraints excluded: chain B residue 1110 ARG Chi-restraints excluded: chain B residue 1112 ASP Chi-restraints excluded: chain B residue 1113 VAL Chi-restraints excluded: chain B residue 1118 ASP Chi-restraints excluded: chain B residue 1120 LEU Chi-restraints excluded: chain B residue 1123 VAL Chi-restraints excluded: chain B residue 1127 HIS Chi-restraints excluded: chain B residue 1133 HIS Chi-restraints excluded: chain B residue 1134 LEU Chi-restraints excluded: chain B residue 1139 PHE Chi-restraints excluded: chain B residue 1141 ARG Chi-restraints excluded: chain B residue 1148 VAL Chi-restraints excluded: chain B residue 1149 VAL 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 1159 THR Chi-restraints excluded: chain B residue 1164 LEU Chi-restraints excluded: chain B residue 1179 PHE Chi-restraints excluded: chain B residue 1184 ILE Chi-restraints excluded: chain B residue 1191 VAL Chi-restraints excluded: chain B residue 1193 SER Chi-restraints excluded: chain B residue 1198 GLN Chi-restraints excluded: chain B residue 1201 HIS 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 1210 SER Chi-restraints excluded: chain B residue 1214 PHE Chi-restraints excluded: chain B residue 1230 MET Chi-restraints excluded: chain B residue 1232 ARG Chi-restraints excluded: chain B residue 1234 VAL Chi-restraints excluded: chain B residue 1238 PHE Chi-restraints excluded: chain B residue 1240 LYS Chi-restraints excluded: chain B residue 1241 SER Chi-restraints excluded: chain B residue 1242 LEU Chi-restraints excluded: chain B residue 1252 HIS Chi-restraints excluded: chain B residue 1255 TYR Chi-restraints excluded: chain B residue 1260 MET Chi-restraints excluded: chain B residue 1266 THR Chi-restraints excluded: chain B residue 1574 PRO 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 1608 MET Chi-restraints excluded: chain B residue 1612 PHE Chi-restraints excluded: chain B residue 1630 CYS Chi-restraints excluded: chain B residue 1635 THR Chi-restraints excluded: chain B residue 1637 MET Chi-restraints excluded: chain B residue 1639 LEU Chi-restraints excluded: chain B residue 1647 CYS Chi-restraints excluded: chain B residue 1648 MET Chi-restraints excluded: chain B residue 1652 GLU Chi-restraints excluded: chain B residue 1653 LEU Chi-restraints excluded: chain B residue 1654 SER Chi-restraints excluded: chain B residue 1655 GLU Chi-restraints excluded: chain B residue 1657 LEU Chi-restraints excluded: chain B residue 1664 SER Chi-restraints excluded: chain B residue 1666 THR Chi-restraints excluded: chain B residue 1671 ARG Chi-restraints excluded: chain B residue 1681 VAL Chi-restraints excluded: chain B residue 1687 SER Chi-restraints excluded: chain B residue 1689 VAL Chi-restraints excluded: chain B residue 1693 GLN Chi-restraints excluded: chain B residue 1695 LEU Chi-restraints excluded: chain B residue 1700 ASP Chi-restraints excluded: chain B residue 1702 HIS Chi-restraints excluded: chain B residue 1706 PRO Chi-restraints excluded: chain B residue 1714 LEU Chi-restraints excluded: chain B residue 1716 ILE Chi-restraints excluded: chain B residue 1717 SER Chi-restraints excluded: chain B residue 1720 LEU Chi-restraints excluded: chain B residue 1721 GLU Chi-restraints excluded: chain B residue 1724 CYS Chi-restraints excluded: chain B residue 1727 ARG Chi-restraints excluded: chain B residue 1729 SER Chi-restraints excluded: chain B residue 1730 MET Chi-restraints excluded: chain B residue 1731 LEU Chi-restraints excluded: chain B residue 1733 GLU Chi-restraints excluded: chain B residue 1736 VAL Chi-restraints excluded: chain B residue 1742 THR Chi-restraints excluded: chain B residue 1745 ILE Chi-restraints excluded: chain B residue 1765 VAL Chi-restraints excluded: chain B residue 1768 THR Chi-restraints excluded: chain B residue 1769 THR Chi-restraints excluded: chain B residue 1771 LEU Chi-restraints excluded: chain B residue 1776 HIS Chi-restraints excluded: chain B residue 1783 VAL Chi-restraints excluded: chain B residue 1786 LEU Chi-restraints excluded: chain B residue 1797 ARG Chi-restraints excluded: chain B residue 1798 LEU Chi-restraints excluded: chain B residue 1802 ILE Chi-restraints excluded: chain B residue 1813 ARG Chi-restraints excluded: chain B residue 1817 GLU Chi-restraints excluded: chain B residue 1830 VAL Chi-restraints excluded: chain B residue 1833 SER Chi-restraints excluded: chain B residue 1834 VAL Chi-restraints excluded: chain B residue 1845 VAL Chi-restraints excluded: chain B residue 1847 THR Chi-restraints excluded: chain B residue 1850 VAL Chi-restraints excluded: chain B residue 1862 ILE Chi-restraints excluded: chain B residue 1866 ILE Chi-restraints excluded: chain B residue 1934 SER Chi-restraints excluded: chain B residue 1935 VAL Chi-restraints excluded: chain B residue 1947 CYS Chi-restraints excluded: chain B residue 1950 GLU Chi-restraints excluded: chain B residue 1953 HIS Chi-restraints excluded: chain B residue 1955 VAL Chi-restraints excluded: chain B residue 1963 GLU Chi-restraints excluded: chain B residue 1965 TYR Chi-restraints excluded: chain B residue 1969 LEU Chi-restraints excluded: chain B residue 1973 GLN Chi-restraints excluded: chain B residue 1980 LEU Chi-restraints excluded: chain B residue 2006 ILE Chi-restraints excluded: chain B residue 2010 LEU Chi-restraints excluded: chain B residue 2011 HIS Chi-restraints excluded: chain B residue 2027 ILE Chi-restraints excluded: chain B residue 2031 LEU Chi-restraints excluded: chain B residue 2032 GLN Chi-restraints excluded: chain B residue 2039 LEU Chi-restraints excluded: chain B residue 2041 HIS Chi-restraints excluded: chain B residue 2097 LEU Chi-restraints excluded: chain B residue 2098 VAL Chi-restraints excluded: chain B residue 2099 SER Chi-restraints excluded: chain B residue 2103 VAL Chi-restraints excluded: chain B residue 2117 VAL Chi-restraints excluded: chain B residue 2122 SER Chi-restraints excluded: chain B residue 2126 ARG Chi-restraints excluded: chain B residue 2140 ARG Chi-restraints excluded: chain B residue 2148 SER Chi-restraints excluded: chain B residue 2152 THR Chi-restraints excluded: chain B residue 2162 ILE Chi-restraints excluded: chain B residue 2164 SER Chi-restraints excluded: chain B residue 2165 LEU Chi-restraints excluded: chain B residue 2166 LEU Chi-restraints excluded: chain B residue 2167 ILE Chi-restraints excluded: chain B residue 2170 MET Chi-restraints excluded: chain B residue 2172 PRO Chi-restraints excluded: chain B residue 2187 ASN Chi-restraints excluded: chain B residue 2191 PHE Chi-restraints excluded: chain B residue 2192 TYR Chi-restraints excluded: chain B residue 2194 HIS Chi-restraints excluded: chain B residue 2198 MET Chi-restraints excluded: chain B residue 2203 MET Chi-restraints excluded: chain B residue 2210 VAL Chi-restraints excluded: chain B residue 2215 LEU Chi-restraints excluded: chain B residue 2223 ILE Chi-restraints excluded: chain B residue 2229 VAL Chi-restraints excluded: chain B residue 2240 CYS Chi-restraints excluded: chain B residue 2243 SER Chi-restraints excluded: chain B residue 2245 GLN Chi-restraints excluded: chain B residue 2246 ASN Chi-restraints excluded: chain B residue 2249 SER Chi-restraints excluded: chain B residue 2253 HIS Chi-restraints excluded: chain B residue 2273 LEU Chi-restraints excluded: chain B residue 2274 ASP Chi-restraints excluded: chain B residue 2275 VAL Chi-restraints excluded: chain B residue 2279 SER Chi-restraints excluded: chain B residue 2281 ILE Chi-restraints excluded: chain B residue 2286 LEU Chi-restraints excluded: chain B residue 2290 LEU Chi-restraints excluded: chain B residue 2291 GLN Chi-restraints excluded: chain B residue 2292 GLU Chi-restraints excluded: chain B residue 2299 VAL Chi-restraints excluded: chain B residue 2300 SER Chi-restraints excluded: chain B residue 2301 TYR Chi-restraints excluded: chain B residue 2302 LEU Chi-restraints excluded: chain B residue 2314 LEU Chi-restraints excluded: chain B residue 2336 ARG Chi-restraints excluded: chain B residue 2339 VAL Chi-restraints excluded: chain B residue 2341 VAL Chi-restraints excluded: chain B residue 2364 PHE Chi-restraints excluded: chain B residue 2380 ILE Chi-restraints excluded: chain B residue 2418 LEU Chi-restraints excluded: chain B residue 2420 HIS Chi-restraints excluded: chain B residue 2438 PRO Chi-restraints excluded: chain B residue 2442 LEU Chi-restraints excluded: chain B residue 2443 ILE Chi-restraints excluded: chain B residue 2451 LEU Chi-restraints excluded: chain B residue 2456 ILE Chi-restraints excluded: chain B residue 2457 LEU Chi-restraints excluded: chain B residue 2458 ARG Chi-restraints excluded: chain B residue 2460 LEU Chi-restraints excluded: chain B residue 2470 ILE Chi-restraints excluded: chain B residue 2742 THR Chi-restraints excluded: chain B residue 2752 ASP Chi-restraints excluded: chain B residue 2758 PHE Chi-restraints excluded: chain B residue 2761 TYR Chi-restraints excluded: chain B residue 2762 THR Chi-restraints excluded: chain B residue 2777 TYR Chi-restraints excluded: chain B residue 2779 GLU Chi-restraints excluded: chain B residue 2785 LEU Chi-restraints excluded: chain B residue 2806 ARG Chi-restraints excluded: chain B residue 2807 TRP Chi-restraints excluded: chain B residue 2811 GLU Chi-restraints excluded: chain B residue 2812 SER Chi-restraints excluded: chain B residue 2869 ARG Chi-restraints excluded: chain B residue 2872 GLN Chi-restraints excluded: chain B residue 2882 TYR Chi-restraints excluded: chain B residue 2883 HIS Chi-restraints excluded: chain B residue 2889 LYS Chi-restraints excluded: chain B residue 2891 LYS Chi-restraints excluded: chain B residue 2892 GLN Chi-restraints excluded: chain B residue 2895 GLU Chi-restraints excluded: chain B residue 2901 THR Chi-restraints excluded: chain B residue 2912 THR Chi-restraints excluded: chain B residue 2928 LYS Chi-restraints excluded: chain B residue 2932 MET Chi-restraints excluded: chain B residue 3641 LEU Chi-restraints excluded: chain B residue 3642 TYR Chi-restraints excluded: chain B residue 3643 ASN Chi-restraints excluded: chain B residue 3647 HIS Chi-restraints excluded: chain B residue 3648 ARG Chi-restraints excluded: chain B residue 3656 SER Chi-restraints excluded: chain B residue 3657 TYR Chi-restraints excluded: chain B residue 3658 LYS Chi-restraints excluded: chain B residue 3661 TRP Chi-restraints excluded: chain B residue 3663 LEU Chi-restraints excluded: chain B residue 3669 PHE Chi-restraints excluded: chain B residue 3671 ASP Chi-restraints excluded: chain B residue 3673 MET Chi-restraints excluded: chain B residue 3674 ILE Chi-restraints excluded: chain B residue 3678 SER Chi-restraints excluded: chain B residue 3696 ASP Chi-restraints excluded: chain B residue 3703 LEU Chi-restraints excluded: chain B residue 3706 SER Chi-restraints excluded: chain B residue 3707 ARG Chi-restraints excluded: chain B residue 3708 THR Chi-restraints excluded: chain B residue 3710 LEU Chi-restraints excluded: chain B residue 3711 THR Chi-restraints excluded: chain B residue 3712 GLU Chi-restraints excluded: chain B residue 3727 ASP Chi-restraints excluded: chain B residue 3733 CYS Chi-restraints excluded: chain B residue 3751 VAL Chi-restraints excluded: chain B residue 3752 SER Chi-restraints excluded: chain B residue 3753 PHE Chi-restraints excluded: chain B residue 3761 GLN Chi-restraints excluded: chain B residue 3762 ARG Chi-restraints excluded: chain B residue 3764 LEU Chi-restraints excluded: chain B residue 3765 TYR Chi-restraints excluded: chain B residue 3768 SER Chi-restraints excluded: chain B residue 3790 THR Chi-restraints excluded: chain B residue 3794 VAL Chi-restraints excluded: chain B residue 3795 SER Chi-restraints excluded: chain B residue 3803 SER Chi-restraints excluded: chain B residue 3804 ILE Chi-restraints excluded: chain B residue 3805 LEU Chi-restraints excluded: chain B residue 3809 ASN Chi-restraints excluded: chain B residue 3822 ASP Chi-restraints excluded: chain B residue 3825 GLU Chi-restraints excluded: chain B residue 3830 GLN Chi-restraints excluded: chain B residue 3835 LEU Chi-restraints excluded: chain B residue 3836 MET Chi-restraints excluded: chain B residue 3838 THR Chi-restraints excluded: chain B residue 3842 LEU Chi-restraints excluded: chain B residue 3886 ARG Chi-restraints excluded: chain B residue 3890 LEU Chi-restraints excluded: chain B residue 3892 CYS Chi-restraints excluded: chain B residue 3893 GLU Chi-restraints excluded: chain B residue 3899 PHE Chi-restraints excluded: chain B residue 3905 THR Chi-restraints excluded: chain B residue 3907 THR Chi-restraints excluded: chain B residue 3910 THR Chi-restraints excluded: chain B residue 3911 THR Chi-restraints excluded: chain B residue 3913 ILE Chi-restraints excluded: chain B residue 3919 THR Chi-restraints excluded: chain B residue 3920 VAL Chi-restraints excluded: chain B residue 3930 ILE Chi-restraints excluded: chain B residue 3938 SER Chi-restraints excluded: chain B residue 3950 ASN Chi-restraints excluded: chain B residue 3952 SER Chi-restraints excluded: chain B residue 3964 SER Chi-restraints excluded: chain B residue 3966 THR Chi-restraints excluded: chain B residue 3973 CYS Chi-restraints excluded: chain B residue 3974 THR Chi-restraints excluded: chain B residue 3979 SER Chi-restraints excluded: chain B residue 3984 ARG Chi-restraints excluded: chain B residue 3994 HIS Chi-restraints excluded: chain B residue 4001 MET Chi-restraints excluded: chain B residue 4021 LYS Chi-restraints excluded: chain B residue 4035 VAL Chi-restraints excluded: chain B residue 4040 ILE Chi-restraints excluded: chain B residue 4044 MET Chi-restraints excluded: chain B residue 4052 SER Chi-restraints excluded: chain B residue 4053 SER Chi-restraints excluded: chain B residue 4054 ASN Chi-restraints excluded: chain B residue 4066 LEU Chi-restraints excluded: chain B residue 4071 ILE Chi-restraints excluded: chain B residue 4072 VAL Chi-restraints excluded: chain B residue 4074 SER Chi-restraints excluded: chain B residue 4081 VAL Chi-restraints excluded: chain B residue 4082 THR Chi-restraints excluded: chain B residue 4083 ASP Chi-restraints excluded: chain B residue 4088 ILE Chi-restraints excluded: chain B residue 4092 ASP Chi-restraints excluded: chain B residue 4097 MET Chi-restraints excluded: chain B residue 4098 ASP Chi-restraints excluded: chain B residue 4100 GLN Chi-restraints excluded: chain B residue 4102 GLN Chi-restraints excluded: chain B residue 4104 THR Chi-restraints excluded: chain B residue 4108 ILE Chi-restraints excluded: chain B residue 4110 PHE Chi-restraints excluded: chain B residue 4113 SER Chi-restraints excluded: chain B residue 4114 CYS Chi-restraints excluded: chain B residue 4115 SER Chi-restraints excluded: chain B residue 4116 GLU Chi-restraints excluded: chain B residue 4118 ASP Chi-restraints excluded: chain B residue 4123 ILE Chi-restraints excluded: chain B residue 4127 GLU Chi-restraints excluded: chain B residue 4132 PHE Chi-restraints excluded: chain B residue 4142 ASN Chi-restraints excluded: chain B residue 4151 SER Chi-restraints excluded: chain B residue 4152 GLU Chi-restraints excluded: chain B residue 4161 ARG Chi-restraints excluded: chain B residue 4166 LEU Chi-restraints excluded: chain B residue 4168 GLU Chi-restraints excluded: chain B residue 4170 ILE Chi-restraints excluded: chain B residue 4180 ARG Chi-restraints excluded: chain B residue 4182 GLU Chi-restraints excluded: chain B residue 4183 ILE Chi-restraints excluded: chain B residue 4187 SER Chi-restraints excluded: chain B residue 4190 ILE Chi-restraints excluded: chain B residue 4192 ARG Chi-restraints excluded: chain B residue 4197 ILE Chi-restraints excluded: chain B residue 4199 GLU Chi-restraints excluded: chain B residue 4205 TRP Chi-restraints excluded: chain B residue 4213 SER Chi-restraints excluded: chain B residue 4217 PHE Chi-restraints excluded: chain B residue 4221 VAL Chi-restraints excluded: chain B residue 4241 THR Chi-restraints excluded: chain B residue 4246 GLN Chi-restraints excluded: chain B residue 4251 ILE Chi-restraints excluded: chain B residue 4549 VAL Chi-restraints excluded: chain B residue 4552 LEU Chi-restraints excluded: chain B residue 4553 ASN Chi-restraints excluded: chain B residue 4561 THR Chi-restraints excluded: chain B residue 4562 LEU Chi-restraints excluded: chain B residue 4563 ARG Chi-restraints excluded: chain B residue 4569 LEU Chi-restraints excluded: chain B residue 4571 PHE Chi-restraints excluded: chain B residue 4573 ILE Chi-restraints excluded: chain B residue 4579 PHE Chi-restraints excluded: chain B residue 4580 TYR Chi-restraints excluded: chain B residue 4628 VAL Chi-restraints excluded: chain B residue 4631 PHE Chi-restraints excluded: chain B residue 4632 LEU Chi-restraints excluded: chain B residue 4636 THR Chi-restraints excluded: chain B residue 4639 MET Chi-restraints excluded: chain B residue 4643 LEU Chi-restraints excluded: chain B residue 4648 LEU Chi-restraints excluded: chain B residue 4651 THR Chi-restraints excluded: chain B residue 4655 PHE Chi-restraints excluded: chain B residue 4658 ILE Chi-restraints excluded: chain B residue 4670 ILE Chi-restraints excluded: chain B residue 4676 GLU Chi-restraints excluded: chain B residue 4682 GLU Chi-restraints excluded: chain B residue 4688 ILE Chi-restraints excluded: chain B residue 4695 ASP Chi-restraints excluded: chain B residue 4723 LYS Chi-restraints excluded: chain B residue 4724 VAL Chi-restraints excluded: chain B residue 4728 HIS Chi-restraints excluded: chain B residue 4736 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 4744 ASP Chi-restraints excluded: chain B residue 4751 THR Chi-restraints excluded: chain B residue 4765 LEU Chi-restraints excluded: chain B residue 4768 LEU Chi-restraints excluded: chain B residue 4770 SER Chi-restraints excluded: chain B residue 4773 VAL Chi-restraints excluded: chain B residue 4782 VAL Chi-restraints excluded: chain B residue 4788 SER Chi-restraints excluded: chain B residue 4797 VAL Chi-restraints excluded: chain B residue 4799 SER Chi-restraints excluded: chain B residue 4804 TYR Chi-restraints excluded: chain B residue 4816 ILE Chi-restraints excluded: chain B residue 4818 MET Chi-restraints excluded: chain B residue 4822 THR Chi-restraints excluded: chain B residue 4827 LEU Chi-restraints excluded: chain B residue 4828 SER Chi-restraints excluded: chain B residue 4831 THR Chi-restraints excluded: chain B residue 4840 THR Chi-restraints excluded: chain B residue 4852 THR Chi-restraints excluded: chain B residue 4856 PHE Chi-restraints excluded: chain B residue 4858 PHE Chi-restraints excluded: chain B residue 4861 LYS Chi-restraints excluded: chain B residue 4868 ASP Chi-restraints excluded: chain B residue 4870 ASP Chi-restraints excluded: chain B residue 4873 ASP Chi-restraints excluded: chain B residue 4876 CYS Chi-restraints excluded: chain B residue 4879 MET Chi-restraints excluded: chain B residue 4881 THR Chi-restraints excluded: chain B residue 4887 MET Chi-restraints excluded: chain B residue 4888 TYR Chi-restraints excluded: chain B residue 4891 VAL Chi-restraints excluded: chain B residue 4910 GLU Chi-restraints excluded: chain B residue 4915 VAL Chi-restraints excluded: chain B residue 4916 PHE Chi-restraints excluded: chain B residue 4917 ASP Chi-restraints excluded: chain B residue 4918 ILE Chi-restraints excluded: chain B residue 4919 THR Chi-restraints excluded: chain B residue 4925 ILE Chi-restraints excluded: chain B residue 4928 LEU Chi-restraints excluded: chain B residue 4943 LEU Chi-restraints excluded: chain B residue 4947 GLN Chi-restraints excluded: chain B residue 4950 VAL Chi-restraints excluded: chain B residue 4952 GLU Chi-restraints excluded: chain B residue 4953 ASP Chi-restraints excluded: chain B residue 4956 THR Chi-restraints excluded: chain B residue 4961 CYS Chi-restraints excluded: chain B residue 4963 ILE Chi-restraints excluded: chain B residue 4965 SER Chi-restraints excluded: chain B residue 4970 THR Chi-restraints excluded: chain B residue 4971 THR Chi-restraints excluded: chain B residue 4973 HIS Chi-restraints excluded: chain B residue 4977 THR Chi-restraints excluded: chain B residue 4979 THR Chi-restraints excluded: chain B residue 4983 HIS Chi-restraints excluded: chain B residue 4985 LEU Chi-restraints excluded: chain B residue 4989 MET Chi-restraints excluded: chain B residue 4997 ASN Chi-restraints excluded: chain B residue 5001 THR Chi-restraints excluded: chain B residue 5008 SER Chi-restraints excluded: chain B residue 5016 GLU Chi-restraints excluded: chain B residue 5018 CYS Chi-restraints excluded: chain B residue 5020 ASP Chi-restraints excluded: chain B residue 5021 PHE Chi-restraints excluded: chain B residue 5034 ASP Chi-restraints excluded: chain B residue 5036 LEU Chi-restraints excluded: chain B residue 5037 SER 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 71 GLN ** A 218 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 278 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 460 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 617 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 624 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 647 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 735 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 736 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 904 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 921 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1220 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A1702 HIS ** A1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2112 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2194 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2734 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2883 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2902 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A2924 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3830 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3946 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A3998 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4162 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4553 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4714 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A4947 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 71 GLN ** C 218 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 379 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 520 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 617 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 624 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 647 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 736 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 904 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 921 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C1702 HIS ** C1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2112 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2194 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2441 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2877 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C2883 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3830 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3946 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C3998 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4162 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4553 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4714 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4803 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D 71 GLN ** D 218 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D 495 ASN ** D 520 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D 647 ASN ** D 736 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 904 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 921 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1201 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D1702 HIS ** D1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2112 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D2125 HIS ** D2194 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2877 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D2883 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3781 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3830 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3946 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D3998 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4553 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4714 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4803 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B 71 GLN ** B 218 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 379 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 399 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 520 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 624 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 647 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 904 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 921 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1220 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B1274 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B1702 HIS ** B1952 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2112 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2194 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2883 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B2902 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3771 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3830 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3946 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B3998 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4133 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4162 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4553 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4714 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4803 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4983 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 11 ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.3442 r_free = 0.3442 target = 0.088213 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 66)----------------| | r_work = 0.2946 r_free = 0.2946 target = 0.065330 restraints weight = 449768.606| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 2; iterations = 28)----------------| | r_work = 0.2857 r_free = 0.2857 target = 0.062328 restraints weight = 326042.110| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 3; iterations = 27)----------------| | r_work = 0.2856 r_free = 0.2856 target = 0.062302 restraints weight = 373012.580| |-----------------------------------------------------------------------------| r_work (final): 0.2832 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8537 moved from start: 0.9145 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.055 0.439 119505 Z= 3.537 Angle : 3.095 37.756 162917 Z= 1.570 Chirality : 0.153 0.956 19033 Planarity : 0.021 0.408 21423 Dihedral : 14.528 90.495 17817 Min Nonbonded Distance : 1.093 Molprobity Statistics. All-atom Clashscore : 89.91 Ramachandran Plot: Outliers : 2.33 % Allowed : 38.41 % Favored : 59.27 % Rotamer: Outliers : 27.06 % Allowed : 26.86 % Favored : 46.08 % Cbeta Deviations : 0.63 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 6.74 % Twisted General : 3.86 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -7.38 (0.05), residues: 12808 helix: -4.66 (0.04), residues: 5664 sheet: -3.81 (0.14), residues: 1072 loop : -5.45 (0.05), residues: 6072 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.095 0.012 TRP A5011 HIS 0.053 0.007 HIS B4983 PHE 0.110 0.012 PHE B1238 TYR 0.116 0.011 TYR A 359 ARG 0.051 0.003 ARG A3773 Origin is already at (0, 0, 0), no shifts will be applied =============================================================================== Job complete usr+sys time: 76803.25 seconds wall clock time: 1312 minutes 11.60 seconds (78731.60 seconds total)